data_25674 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Assignment of the MALT1 Paracaspase by Solution NMR ; _BMRB_accession_number 25674 _BMRB_flat_file_name bmr25674.str _Entry_type original _Submission_date 2015-06-25 _Accession_date 2015-06-25 _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 Unnerstaale Sofia . . 2 Nowakowski Michal . . 3 Mayzel Maxim . . 4 Orekhov Vladislav . . 5 Agback Tatiana . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 272 "13C chemical shifts" 864 "15N chemical shifts" 272 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-01-29 original BMRB . stop_ _Original_release_date 2016-01-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone Assignment of the MALT1 Paracaspase by Solution NMR ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26788853 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Unnerstaale Sofia . . 2 Nowakowski Michal . . 3 Baraznenok Vera . . 4 Stenberg Gun . . 5 Lindberg Jimmy . . 6 Mayzel Maxim . . 7 Orekhov Vladislav . . 8 Agback Tatiana . . stop_ _Journal_abbreviation 'PLoS One' _Journal_volume 11 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first e0146496 _Page_last e0146496 _Year 2016 _Details . loop_ _Keyword MALT1 paracaspase 'protein backbone assignment' 'targeted acquisition' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MALT1 subunit 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MALT1 subunit 1' $MALT1(Casp-Ig3) 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_MALT1(Casp-Ig3) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MALT1(Casp-Ig3) _Molecular_mass 44130 _Mol_thiol_state 'free and disulfide bound' loop_ _Biological_function ; Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (MALT1) has a central role in transcription factor NF- B signaling. ; stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 388 _Mol_residue_sequence ; MLAKDKVALLIGNMNYREHP KLKAPLVDVYELTNLLRQLD FKVVSLLDLTEYEMRNAVDE FLLLLDKGVYGLLYYAGHGY ENFGNSFMVPVDAPNPYRSE NCLCVQNILKLMQEKETGLN VFLLDMCRKRNDYDDTIPIL DALKVTANIVFGYATCQGAE AFEIQHSGLANGIFMKFLKD RLLEDKKITVLLDEVAEDMG KCHLTKGKQALEIRSSLSEK RALTDPIQGTEYSAESLVRN LQWAKAHELPESMCLKFDCG VQIQLGFAAEFSNVMIIYTS IVYKPPEIIMCDAYVTDFPL DLDIDPKDANKGTPEETGSY LVSKDLPKHCLYTRLSSLQK LKEHLVFTVCLSYQYSGLED TVEDKQEVNVGKPLIAKLDM HRHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 338 MET 2 339 LEU 3 340 ALA 4 341 LYS 5 342 ASP 6 343 LYS 7 344 VAL 8 345 ALA 9 346 LEU 10 347 LEU 11 348 ILE 12 349 GLY 13 350 ASN 14 351 MET 15 352 ASN 16 353 TYR 17 354 ARG 18 355 GLU 19 356 HIS 20 357 PRO 21 358 LYS 22 359 LEU 23 360 LYS 24 361 ALA 25 362 PRO 26 363 LEU 27 364 VAL 28 365 ASP 29 366 VAL 30 367 TYR 31 368 GLU 32 369 LEU 33 370 THR 34 371 ASN 35 372 LEU 36 373 LEU 37 374 ARG 38 375 GLN 39 376 LEU 40 377 ASP 41 378 PHE 42 379 LYS 43 380 VAL 44 381 VAL 45 382 SER 46 383 LEU 47 384 LEU 48 385 ASP 49 386 LEU 50 387 THR 51 388 GLU 52 389 TYR 53 390 GLU 54 391 MET 55 392 ARG 56 393 ASN 57 394 ALA 58 395 VAL 59 396 ASP 60 397 GLU 61 398 PHE 62 399 LEU 63 400 LEU 64 401 LEU 65 402 LEU 66 403 ASP 67 404 LYS 68 405 GLY 69 406 VAL 70 407 TYR 71 408 GLY 72 409 LEU 73 410 LEU 74 411 TYR 75 412 TYR 76 413 ALA 77 414 GLY 78 415 HIS 79 416 GLY 80 417 TYR 81 418 GLU 82 419 ASN 83 420 PHE 84 421 GLY 85 422 ASN 86 423 SER 87 424 PHE 88 425 MET 89 426 VAL 90 427 PRO 91 428 VAL 92 429 ASP 93 430 ALA 94 431 PRO 95 432 ASN 96 433 PRO 97 434 TYR 98 435 ARG 99 436 SER 100 437 GLU 101 438 ASN 102 439 CYS 103 440 LEU 104 441 CYS 105 442 VAL 106 443 GLN 107 444 ASN 108 445 ILE 109 446 LEU 110 447 LYS 111 448 LEU 112 449 MET 113 450 GLN 114 451 GLU 115 452 LYS 116 453 GLU 117 454 THR 118 455 GLY 119 456 LEU 120 457 ASN 121 458 VAL 122 459 PHE 123 460 LEU 124 461 LEU 125 462 ASP 126 463 MET 127 464 CYS 128 465 ARG 129 466 LYS 130 467 ARG 131 468 ASN 132 469 ASP 133 470 TYR 134 471 ASP 135 472 ASP 136 473 THR 137 474 ILE 138 475 PRO 139 476 ILE 140 477 LEU 141 478 ASP 142 479 ALA 143 480 LEU 144 481 LYS 145 482 VAL 146 483 THR 147 484 ALA 148 485 ASN 149 486 ILE 150 487 VAL 151 488 PHE 152 489 GLY 153 490 TYR 154 491 ALA 155 492 THR 156 493 CYS 157 494 GLN 158 495 GLY 159 496 ALA 160 497 GLU 161 498 ALA 162 499 PHE 163 500 GLU 164 501 ILE 165 502 GLN 166 503 HIS 167 504 SER 168 505 GLY 169 506 LEU 170 507 ALA 171 508 ASN 172 509 GLY 173 510 ILE 174 511 PHE 175 512 MET 176 513 LYS 177 514 PHE 178 515 LEU 179 516 LYS 180 517 ASP 181 518 ARG 182 519 LEU 183 520 LEU 184 521 GLU 185 522 ASP 186 523 LYS 187 524 LYS 188 525 ILE 189 526 THR 190 527 VAL 191 528 LEU 192 529 LEU 193 530 ASP 194 531 GLU 195 532 VAL 196 533 ALA 197 534 GLU 198 535 ASP 199 536 MET 200 537 GLY 201 538 LYS 202 539 CYS 203 540 HIS 204 541 LEU 205 542 THR 206 543 LYS 207 544 GLY 208 545 LYS 209 546 GLN 210 547 ALA 211 548 LEU 212 549 GLU 213 550 ILE 214 551 ARG 215 552 SER 216 553 SER 217 554 LEU 218 555 SER 219 556 GLU 220 557 LYS 221 558 ARG 222 559 ALA 223 560 LEU 224 561 THR 225 562 ASP 226 563 PRO 227 564 ILE 228 565 GLN 229 566 GLY 230 567 THR 231 568 GLU 232 569 TYR 233 570 SER 234 571 ALA 235 572 GLU 236 573 SER 237 574 LEU 238 575 VAL 239 576 ARG 240 577 ASN 241 578 LEU 242 579 GLN 243 580 TRP 244 581 ALA 245 582 LYS 246 583 ALA 247 584 HIS 248 585 GLU 249 586 LEU 250 587 PRO 251 588 GLU 252 589 SER 253 590 MET 254 591 CYS 255 592 LEU 256 593 LYS 257 594 PHE 258 595 ASP 259 596 CYS 260 597 GLY 261 598 VAL 262 599 GLN 263 600 ILE 264 601 GLN 265 602 LEU 266 603 GLY 267 604 PHE 268 605 ALA 269 606 ALA 270 607 GLU 271 608 PHE 272 609 SER 273 610 ASN 274 611 VAL 275 612 MET 276 613 ILE 277 614 ILE 278 615 TYR 279 616 THR 280 617 SER 281 618 ILE 282 619 VAL 283 620 TYR 284 621 LYS 285 622 PRO 286 623 PRO 287 624 GLU 288 625 ILE 289 626 ILE 290 627 MET 291 628 CYS 292 629 ASP 293 630 ALA 294 631 TYR 295 632 VAL 296 633 THR 297 634 ASP 298 635 PHE 299 636 PRO 300 637 LEU 301 638 ASP 302 639 LEU 303 640 ASP 304 641 ILE 305 642 ASP 306 643 PRO 307 644 LYS 308 645 ASP 309 646 ALA 310 647 ASN 311 648 LYS 312 649 GLY 313 650 THR 314 651 PRO 315 652 GLU 316 653 GLU 317 654 THR 318 655 GLY 319 656 SER 320 657 TYR 321 658 LEU 322 659 VAL 323 660 SER 324 661 LYS 325 662 ASP 326 663 LEU 327 664 PRO 328 665 LYS 329 666 HIS 330 667 CYS 331 668 LEU 332 669 TYR 333 670 THR 334 671 ARG 335 672 LEU 336 673 SER 337 674 SER 338 675 LEU 339 676 GLN 340 677 LYS 341 678 LEU 342 679 LYS 343 680 GLU 344 681 HIS 345 682 LEU 346 683 VAL 347 684 PHE 348 685 THR 349 686 VAL 350 687 CYS 351 688 LEU 352 689 SER 353 690 TYR 354 691 GLN 355 692 TYR 356 693 SER 357 694 GLY 358 695 LEU 359 696 GLU 360 697 ASP 361 698 THR 362 699 VAL 363 700 GLU 364 701 ASP 365 702 LYS 366 703 GLN 367 704 GLU 368 705 VAL 369 706 ASN 370 707 VAL 371 708 GLY 372 709 LYS 373 710 PRO 374 711 LEU 375 712 ILE 376 713 ALA 377 714 LYS 378 715 LEU 379 716 ASP 380 717 MET 381 718 HIS 382 719 ARG 383 720 HIS 384 721 HIS 385 722 HIS 386 723 HIS 387 724 HIS 388 725 HIS 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 $MALT1(Casp-Ig3) Human 9606 Eukaryota Metazoa Homo sapiens 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 $MALT1(Casp-Ig3) 'recombinant technology' . Escherichia coli 'BL21 Star (DE3)' pPET21b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0,5 mM 15N/13C/2H-labeled MALT1(Casp-Ig3) in 10 mM Tris pH 7.5, 50 mM NaCl, 1 mM TCEP-d16, 0,002 % NaN3, 10 M DSS, 10 % D2O.' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $MALT1(Casp-Ig3) 0.5 mM '[U-100% 13C; U-100% 15N; U-80% 2H]' TRIS 10 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' TCEP 1 mM [U-2H] stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.2 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CcpNmr_Analysis _Saveframe_category software _Name CcpNmr_Analysis _Version 2.2.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_TANCY _Saveframe_category software _Name TANCY _Version . loop_ _Vendor _Address _Electronic_address 'Isaksson and Orekhov' . . stop_ loop_ _Task collection 'peak picking' processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details '5 mm cryo-enhanced inverse resonance HCNF probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details '3mm CPTCI cryo-probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_2D_1H-15N_TROSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $sample_1 save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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' 60 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'Not corrected for TROSY and not isotope corrected.' 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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 'The chemical shifts have not been compensated for 2H isotope shifts' loop_ _Experiment_label '2D 1H-15N TROSY' '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HN(CO)CACB' '3D HN(CA)CO' 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 'MALT1 subunit 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 1 339 2 LEU C C 175.540 0.03 1 2 339 2 LEU CA C 53.480 0.03 1 3 339 2 LEU CB C 44.150 0.03 1 4 340 3 ALA H H 8.574 0.004 1 5 340 3 ALA C C 176.940 0.03 1 6 340 3 ALA CA C 50.350 0.03 1 7 340 3 ALA CB C 18.920 0.03 1 8 340 3 ALA N N 125.200 0.04 1 9 341 4 LYS H H 7.944 0.004 1 10 341 4 LYS C C 175.840 0.03 1 11 341 4 LYS CA C 57.750 0.03 1 12 341 4 LYS CB C 31.680 0.03 1 13 341 4 LYS N N 122.770 0.04 1 14 342 5 ASP H H 7.396 0.004 1 15 342 5 ASP C C 174.410 0.03 1 16 342 5 ASP CA C 51.900 0.03 1 17 342 5 ASP CB C 42.480 0.03 1 18 342 5 ASP N N 109.300 0.04 1 19 343 6 LYS H H 9.212 0.004 1 20 343 6 LYS CA C 55.820 0.03 1 21 343 6 LYS CB C 32.080 0.03 1 22 343 6 LYS N N 124.030 0.04 1 23 349 12 GLY C C 175.700 0.03 1 24 349 12 GLY CA C 43.730 0.03 1 25 350 13 ASN H H 7.820 0.004 1 26 350 13 ASN CA C 54.260 0.03 1 27 350 13 ASN N N 119.400 0.04 1 28 351 14 MET C C 176.170 0.03 1 29 352 15 ASN H H 9.863 0.004 1 30 352 15 ASN C C 174.730 0.03 1 31 352 15 ASN CA C 52.460 0.03 1 32 352 15 ASN CB C 36.960 0.03 1 33 352 15 ASN N N 125.540 0.04 1 34 353 16 TYR H H 7.417 0.004 1 35 353 16 TYR C C 176.140 0.03 1 36 353 16 TYR CA C 59.100 0.03 1 37 353 16 TYR CB C 40.760 0.03 1 38 353 16 TYR N N 120.670 0.04 1 39 354 17 ARG H H 7.979 0.004 1 40 354 17 ARG C C 178.720 0.03 1 41 354 17 ARG CA C 58.810 0.03 1 42 354 17 ARG CB C 29.950 0.03 1 43 354 17 ARG N N 121.390 0.04 1 44 355 18 GLU H H 9.358 0.004 1 45 355 18 GLU C C 174.250 0.03 1 46 355 18 GLU CA C 54.910 0.03 1 47 355 18 GLU CB C 30.200 0.03 1 48 355 18 GLU N N 115.670 0.04 1 49 356 19 HIS H H 6.722 0.004 1 50 356 19 HIS C C 172.000 0.03 1 51 356 19 HIS CA C 53.810 0.03 1 52 356 19 HIS CB C 32.230 0.03 1 53 356 19 HIS N N 116.160 0.04 1 54 357 20 PRO C C 176.480 0.03 1 55 357 20 PRO CA C 63.330 0.03 1 56 357 20 PRO CB C 31.760 0.03 1 57 358 21 LYS H H 8.439 0.004 1 58 358 21 LYS C C 177.230 0.03 1 59 358 21 LYS CA C 56.630 0.03 1 60 358 21 LYS CB C 32.440 0.03 1 61 358 21 LYS N N 122.710 0.04 1 62 359 22 LEU H H 8.051 0.004 1 63 359 22 LEU CA C 53.000 0.03 1 64 359 22 LEU CB C 44.050 0.03 1 65 359 22 LEU N N 122.800 0.04 1 66 360 23 LYS C C 176.820 0.03 1 67 361 24 ALA H H 8.465 0.004 1 68 361 24 ALA CA C 55.730 0.03 1 69 361 24 ALA CB C 15.420 0.03 1 70 361 24 ALA N N 124.570 0.04 1 71 362 25 PRO C C 176.220 0.03 1 72 362 25 PRO CA C 66.330 0.03 1 73 362 25 PRO CB C 30.780 0.03 1 74 363 26 LEU H H 6.602 0.004 1 75 363 26 LEU C C 176.440 0.03 1 76 363 26 LEU CA C 58.360 0.03 1 77 363 26 LEU CB C 42.360 0.03 1 78 363 26 LEU N N 113.890 0.04 1 79 364 27 VAL H H 6.872 0.004 1 80 364 27 VAL C C 178.090 0.03 1 81 364 27 VAL CA C 64.040 0.03 1 82 364 27 VAL CB C 31.610 0.03 1 83 364 27 VAL N N 114.550 0.04 1 84 365 28 ASP H H 8.503 0.004 1 85 365 28 ASP C C 178.680 0.03 1 86 365 28 ASP CA C 58.150 0.03 1 87 365 28 ASP CB C 38.850 0.03 1 88 365 28 ASP N N 122.600 0.04 1 89 366 29 VAL H H 8.669 0.004 1 90 366 29 VAL C C 179.190 0.03 1 91 366 29 VAL CA C 66.750 0.03 1 92 366 29 VAL CB C 30.010 0.03 1 93 366 29 VAL N N 117.480 0.04 1 94 367 30 TYR H H 7.591 0.004 1 95 367 30 TYR C C 177.640 0.03 1 96 367 30 TYR CA C 62.090 0.03 1 97 367 30 TYR CB C 39.010 0.03 1 98 367 30 TYR N N 124.350 0.04 1 99 368 31 GLU H H 8.796 0.004 1 100 368 31 GLU C C 180.050 0.03 1 101 368 31 GLU CA C 59.400 0.03 1 102 368 31 GLU CB C 28.720 0.03 1 103 368 31 GLU N N 118.360 0.04 1 104 369 32 LEU H H 8.441 0.004 1 105 369 32 LEU CA C 57.320 0.03 1 106 369 32 LEU CB C 38.830 0.03 1 107 369 32 LEU N N 121.110 0.04 1 108 373 36 LEU C C 181.200 0.03 1 109 373 36 LEU CA C 56.900 0.03 1 110 374 37 ARG H H 8.361 0.004 1 111 374 37 ARG C C 180.940 0.03 1 112 374 37 ARG CA C 60.270 0.03 1 113 374 37 ARG CB C 29.540 0.03 1 114 374 37 ARG N N 121.060 0.04 1 115 375 38 GLN H H 7.543 0.004 1 116 375 38 GLN C C 177.090 0.03 1 117 375 38 GLN CA C 58.320 0.03 1 118 375 38 GLN CB C 27.550 0.03 1 119 375 38 GLN N N 121.100 0.04 1 120 376 39 LEU H H 7.190 0.004 1 121 376 39 LEU C C 174.630 0.03 1 122 376 39 LEU CA C 53.850 0.03 1 123 376 39 LEU CB C 40.800 0.03 1 124 376 39 LEU N N 119.700 0.04 1 125 377 40 ASP H H 7.704 0.004 1 126 377 40 ASP C C 175.610 0.03 1 127 377 40 ASP CA C 55.960 0.03 1 128 377 40 ASP CB C 38.300 0.03 1 129 377 40 ASP N N 111.290 0.04 1 130 378 41 PHE H H 8.031 0.004 1 131 378 41 PHE C C 177.080 0.03 1 132 378 41 PHE CA C 58.180 0.03 1 133 378 41 PHE CB C 39.650 0.03 1 134 378 41 PHE N N 114.530 0.04 1 135 379 42 LYS H H 8.923 0.004 1 136 379 42 LYS C C 175.530 0.03 1 137 379 42 LYS CA C 55.660 0.03 1 138 379 42 LYS CB C 31.520 0.03 1 139 379 42 LYS N N 123.960 0.04 1 140 380 43 VAL H H 8.699 0.004 1 141 380 43 VAL C C 173.600 0.03 1 142 380 43 VAL CA C 61.270 0.03 1 143 380 43 VAL CB C 33.320 0.03 1 144 380 43 VAL N N 126.650 0.04 1 145 381 44 VAL H H 8.970 0.004 1 146 381 44 VAL CA C 53.830 0.03 1 147 381 44 VAL CB C 31.240 0.03 1 148 381 44 VAL N N 123.130 0.04 1 149 385 48 ASP C C 173.710 0.03 1 150 386 49 LEU H H 8.214 0.004 1 151 386 49 LEU C C 177.850 0.03 1 152 386 49 LEU CA C 51.860 0.03 1 153 386 49 LEU CB C 44.520 0.03 1 154 386 49 LEU N N 123.110 0.04 1 155 387 50 THR H H 8.734 0.004 1 156 387 50 THR C C 175.400 0.03 1 157 387 50 THR CA C 60.920 0.03 1 158 387 50 THR CB C 70.210 0.03 1 159 387 50 THR N N 114.060 0.04 1 160 388 51 GLU H H 9.707 0.004 1 161 388 51 GLU C C 177.860 0.03 1 162 388 51 GLU CA C 60.680 0.03 1 163 388 51 GLU CB C 28.460 0.03 1 164 388 51 GLU N N 124.400 0.04 1 165 389 52 TYR H H 8.491 0.004 1 166 389 52 TYR C C 177.750 0.03 1 167 389 52 TYR CA C 60.190 0.03 1 168 389 52 TYR CB C 37.060 0.03 1 169 389 52 TYR N N 117.670 0.04 1 170 390 53 GLU H H 7.071 0.004 1 171 390 53 GLU C C 179.600 0.03 1 172 390 53 GLU CA C 57.980 0.03 1 173 390 53 GLU CB C 29.600 0.03 1 174 390 53 GLU N N 117.930 0.04 1 175 391 54 MET H H 9.011 0.004 1 176 391 54 MET C C 177.410 0.03 1 177 391 54 MET CA C 60.030 0.03 1 178 391 54 MET CB C 33.250 0.03 1 179 391 54 MET N N 118.570 0.04 1 180 392 55 ARG H H 8.341 0.004 1 181 392 55 ARG C C 178.900 0.03 1 182 392 55 ARG CA C 60.120 0.03 1 183 392 55 ARG N N 117.330 0.04 1 184 393 56 ASN H H 7.954 0.004 1 185 393 56 ASN C C 176.700 0.03 1 186 393 56 ASN CA C 55.740 0.03 1 187 393 56 ASN CB C 37.470 0.03 1 188 393 56 ASN N N 117.400 0.04 1 189 400 63 LEU H H 7.062 0.004 1 190 400 63 LEU C C 178.560 0.03 1 191 400 63 LEU CA C 56.150 0.03 1 192 400 63 LEU CB C 41.030 0.03 1 193 400 63 LEU N N 116.600 0.04 1 194 401 64 LEU H H 7.388 0.004 1 195 401 64 LEU C C 178.170 0.03 1 196 401 64 LEU CA C 54.400 0.03 1 197 401 64 LEU CB C 41.660 0.03 1 198 401 64 LEU N N 117.410 0.04 1 199 402 65 LEU H H 6.685 0.004 1 200 402 65 LEU C C 174.580 0.03 1 201 402 65 LEU CA C 53.730 0.03 1 202 402 65 LEU CB C 37.610 0.03 1 203 402 65 LEU N N 117.380 0.04 1 204 403 66 ASP H H 7.110 0.004 1 205 403 66 ASP C C 174.960 0.03 1 206 403 66 ASP CA C 52.050 0.03 1 207 403 66 ASP CB C 42.780 0.03 1 208 403 66 ASP N N 121.390 0.04 1 209 404 67 LYS H H 8.511 0.004 1 210 404 67 LYS C C 178.580 0.03 1 211 404 67 LYS CA C 57.260 0.03 1 212 404 67 LYS CB C 31.430 0.03 1 213 404 67 LYS N N 120.750 0.04 1 214 405 68 GLY H H 8.374 0.004 1 215 405 68 GLY C C 175.760 0.03 1 216 405 68 GLY CA C 45.670 0.03 1 217 405 68 GLY N N 111.020 0.04 1 218 406 69 VAL H H 8.314 0.004 1 219 406 69 VAL C C 175.260 0.03 1 220 406 69 VAL CA C 64.050 0.03 1 221 406 69 VAL CB C 32.030 0.03 1 222 406 69 VAL N N 125.270 0.04 1 223 407 70 TYR H H 9.060 0.004 1 224 407 70 TYR C C 174.070 0.03 1 225 407 70 TYR CA C 54.560 0.03 1 226 407 70 TYR CB C 36.980 0.03 1 227 407 70 TYR N N 129.390 0.04 1 228 408 71 GLY H H 9.326 0.004 1 229 408 71 GLY CA C 43.270 0.03 1 230 408 71 GLY N N 110.100 0.04 1 231 413 76 ALA C C 174.430 0.03 1 232 413 76 ALA CA C 55.920 0.03 1 233 414 77 GLY H H 6.762 0.004 1 234 414 77 GLY C C 174.070 0.03 1 235 414 77 GLY CA C 44.800 0.03 1 236 414 77 GLY N N 104.590 0.04 1 237 415 78 HIS H H 8.325 0.004 1 238 415 78 HIS C C 177.580 0.03 1 239 415 78 HIS CA C 57.960 0.03 1 240 415 78 HIS N N 119.500 0.04 1 241 416 79 GLY H H 9.038 0.004 1 242 416 79 GLY C C 171.370 0.03 1 243 416 79 GLY CA C 45.050 0.03 1 244 416 79 GLY N N 110.560 0.04 1 245 417 80 TYR H H 8.480 0.004 1 246 417 80 TYR C C 172.840 0.03 1 247 417 80 TYR CA C 55.130 0.03 1 248 417 80 TYR CB C 40.860 0.03 1 249 417 80 TYR N N 119.680 0.04 1 250 418 81 GLU H H 8.248 0.004 1 251 418 81 GLU C C 175.100 0.03 1 252 418 81 GLU CA C 53.820 0.03 1 253 418 81 GLU CB C 31.570 0.03 1 254 418 81 GLU N N 124.290 0.04 1 255 419 82 ASN H H 8.657 0.004 1 256 419 82 ASN C C 174.200 0.03 1 257 419 82 ASN CA C 53.340 0.03 1 258 419 82 ASN CB C 41.500 0.03 1 259 419 82 ASN N N 119.590 0.04 1 260 420 83 PHE C C 175.520 0.03 1 261 420 83 PHE CA C 58.130 0.03 1 262 420 83 PHE CB C 36.430 0.03 1 263 421 84 GLY H H 8.806 0.004 1 264 421 84 GLY C C 173.340 0.03 1 265 421 84 GLY CA C 45.170 0.03 1 266 421 84 GLY N N 106.400 0.04 1 267 422 85 ASN H H 7.831 0.004 1 268 422 85 ASN C C 173.310 0.03 1 269 422 85 ASN CA C 51.310 0.03 1 270 422 85 ASN CB C 42.180 0.03 1 271 422 85 ASN N N 118.870 0.04 1 272 423 86 SER H H 8.858 0.004 1 273 423 86 SER C C 173.320 0.03 1 274 423 86 SER CA C 56.790 0.03 1 275 423 86 SER N N 115.990 0.04 1 276 424 87 PHE H H 9.131 0.004 1 277 424 87 PHE C C 175.280 0.03 1 278 424 87 PHE CA C 56.530 0.03 1 279 424 87 PHE CB C 42.140 0.03 1 280 424 87 PHE N N 121.060 0.04 1 281 425 88 MET H H 8.990 0.004 1 282 425 88 MET C C 175.950 0.03 1 283 425 88 MET CA C 54.690 0.03 1 284 425 88 MET CB C 35.240 0.03 1 285 425 88 MET N N 119.590 0.04 1 286 426 89 VAL H H 7.519 0.004 1 287 426 89 VAL C C 173.800 0.03 1 288 426 89 VAL CA C 60.240 0.03 1 289 426 89 VAL CB C 32.120 0.03 1 290 426 89 VAL N N 124.640 0.04 1 291 427 90 PRO C C 178.200 0.03 1 292 427 90 PRO CA C 62.420 0.03 1 293 427 90 PRO CB C 32.210 0.03 1 294 428 91 VAL H H 7.698 0.004 1 295 428 91 VAL C C 177.160 0.03 1 296 428 91 VAL CA C 64.380 0.03 1 297 428 91 VAL CB C 30.160 0.03 1 298 428 91 VAL N N 109.980 0.04 1 299 429 92 ASP H H 9.004 0.004 1 300 429 92 ASP C C 175.120 0.03 1 301 429 92 ASP CA C 51.920 0.03 1 302 429 92 ASP CB C 38.320 0.03 1 303 429 92 ASP N N 119.020 0.04 1 304 430 93 ALA H H 7.512 0.004 1 305 430 93 ALA C C 175.900 0.03 1 306 430 93 ALA CA C 50.950 0.03 1 307 430 93 ALA CB C 18.330 0.03 1 308 430 93 ALA N N 124.710 0.04 1 309 431 94 PRO C C 174.980 0.03 1 310 431 94 PRO CA C 61.920 0.03 1 311 431 94 PRO CB C 31.730 0.03 1 312 432 95 ASN H H 8.057 0.004 1 313 432 95 ASN C C 173.800 0.03 1 314 432 95 ASN CA C 48.810 0.03 1 315 432 95 ASN CB C 40.730 0.03 1 316 432 95 ASN N N 117.490 0.04 1 317 433 96 PRO C C 175.900 0.03 1 318 433 96 PRO CA C 62.560 0.03 1 319 433 96 PRO CB C 33.930 0.03 1 320 434 97 TYR H H 7.407 0.004 1 321 434 97 TYR C C 175.960 0.03 1 322 434 97 TYR CA C 56.000 0.03 1 323 434 97 TYR CB C 37.880 0.03 1 324 434 97 TYR N N 115.720 0.04 1 325 435 98 ARG H H 7.415 0.004 1 326 435 98 ARG CA C 54.080 0.03 1 327 435 98 ARG CB C 31.450 0.03 1 328 435 98 ARG N N 118.530 0.04 1 329 445 108 ILE H H 7.392 0.004 1 330 445 108 ILE C C 178.020 0.03 1 331 445 108 ILE CA C 64.920 0.03 1 332 445 108 ILE CB C 36.790 0.03 1 333 445 108 ILE N N 121.290 0.04 1 334 446 109 LEU H H 8.396 0.004 1 335 446 109 LEU CA C 57.690 0.03 1 336 446 109 LEU CB C 41.450 0.03 1 337 446 109 LEU N N 120.150 0.04 1 338 447 110 LYS C C 179.360 0.03 1 339 447 110 LYS CA C 59.560 0.03 1 340 447 110 LYS CB C 31.130 0.03 1 341 448 111 LEU H H 7.435 0.004 1 342 448 111 LEU C C 181.110 0.03 1 343 448 111 LEU CA C 57.220 0.03 1 344 448 111 LEU CB C 40.670 0.03 1 345 448 111 LEU N N 119.490 0.04 1 346 449 112 MET H H 8.457 0.004 1 347 449 112 MET C C 178.390 0.03 1 348 449 112 MET CA C 59.440 0.03 1 349 449 112 MET CB C 31.830 0.03 1 350 449 112 MET N N 118.630 0.04 1 351 450 113 GLN H H 7.875 0.004 1 352 450 113 GLN C C 175.890 0.03 1 353 450 113 GLN CA C 57.500 0.03 1 354 450 113 GLN CB C 28.800 0.03 1 355 450 113 GLN N N 116.180 0.04 1 356 451 114 GLU H H 7.124 0.004 1 357 451 114 GLU C C 176.680 0.03 1 358 451 114 GLU CA C 56.060 0.03 1 359 451 114 GLU CB C 29.190 0.03 1 360 451 114 GLU N N 116.780 0.04 1 361 452 115 LYS H H 7.350 0.004 1 362 452 115 LYS C C 176.470 0.03 1 363 452 115 LYS CA C 53.400 0.03 1 364 452 115 LYS CB C 32.070 0.03 1 365 452 115 LYS N N 117.790 0.04 1 366 453 116 GLU H H 8.871 0.004 1 367 453 116 GLU C C 176.820 0.03 1 368 453 116 GLU CA C 55.000 0.03 1 369 453 116 GLU CB C 28.270 0.03 1 370 453 116 GLU N N 123.930 0.04 1 371 454 117 THR H H 7.465 0.004 1 372 454 117 THR C C 175.830 0.03 1 373 454 117 THR CA C 60.590 0.03 1 374 454 117 THR CB C 68.530 0.03 1 375 454 117 THR N N 111.140 0.04 1 376 455 118 GLY H H 8.579 0.004 1 377 455 118 GLY C C 171.970 0.03 1 378 455 118 GLY CA C 46.290 0.03 1 379 455 118 GLY N N 109.320 0.04 1 380 456 119 LEU H H 7.237 0.004 1 381 456 119 LEU C C 173.870 0.03 1 382 456 119 LEU CA C 55.030 0.03 1 383 456 119 LEU CB C 42.230 0.03 1 384 456 119 LEU N N 117.350 0.04 1 385 457 120 ASN H H 8.421 0.004 1 386 457 120 ASN C C 173.750 0.03 1 387 457 120 ASN CA C 51.530 0.03 1 388 457 120 ASN CB C 40.150 0.03 1 389 457 120 ASN N N 126.630 0.04 1 390 458 121 VAL H H 9.070 0.004 1 391 458 121 VAL C C 173.410 0.03 1 392 458 121 VAL CA C 60.560 0.03 1 393 458 121 VAL CB C 32.170 0.03 1 394 458 121 VAL N N 125.230 0.04 1 395 459 122 PHE H H 9.417 0.004 1 396 459 122 PHE C C 173.090 0.03 1 397 459 122 PHE CA C 52.680 0.03 1 398 459 122 PHE CB C 39.370 0.03 1 399 459 122 PHE N N 131.680 0.04 1 400 460 123 LEU H H 9.685 0.004 1 401 460 123 LEU C C 173.540 0.03 1 402 460 123 LEU CA C 52.450 0.03 1 403 460 123 LEU CB C 44.750 0.03 1 404 460 123 LEU N N 125.620 0.04 1 405 461 124 LEU H H 8.490 0.004 1 406 461 124 LEU C C 173.930 0.03 1 407 461 124 LEU CA C 52.390 0.03 1 408 461 124 LEU CB C 42.920 0.03 1 409 461 124 LEU N N 122.860 0.04 1 410 462 125 ASP H H 8.941 0.004 1 411 462 125 ASP C C 175.420 0.03 1 412 462 125 ASP CA C 51.420 0.03 1 413 462 125 ASP CB C 40.890 0.03 1 414 462 125 ASP N N 126.570 0.04 1 415 463 126 MET H H 7.966 0.004 1 416 463 126 MET C C 175.720 0.03 1 417 463 126 MET CA C 54.470 0.03 1 418 463 126 MET CB C 35.990 0.03 1 419 463 126 MET N N 117.310 0.04 1 420 464 127 CYS H H 8.190 0.004 1 421 464 127 CYS CA C 57.750 0.03 1 422 464 127 CYS CB C 41.840 0.03 1 423 464 127 CYS N N 123.210 0.04 1 424 465 128 ARG H H 8.901 0.004 1 425 465 128 ARG C C 175.400 0.03 1 426 465 128 ARG CA C 55.090 0.03 1 427 465 128 ARG CB C 31.440 0.03 1 428 465 128 ARG N N 129.640 0.04 1 429 470 133 TYR C C 175.400 0.03 1 430 470 133 TYR CA C 57.230 0.03 1 431 471 134 ASP H H 7.967 0.004 1 432 471 134 ASP CA C 53.910 0.03 1 433 471 134 ASP CB C 40.720 0.03 1 434 471 134 ASP N N 121.900 0.04 1 435 472 135 ASP H H 8.282 0.004 1 436 472 135 ASP C C 176.500 0.03 1 437 472 135 ASP CA C 53.710 0.03 1 438 472 135 ASP CB C 40.590 0.03 1 439 472 135 ASP N N 122.860 0.04 1 440 473 136 THR H H 8.163 0.004 1 441 473 136 THR C C 174.660 0.03 1 442 473 136 THR CA C 62.140 0.03 1 443 473 136 THR CB C 69.350 0.03 1 444 473 136 THR N N 115.270 0.04 1 445 474 137 ILE H H 7.754 0.004 1 446 474 137 ILE C C 174.400 0.03 1 447 474 137 ILE CA C 58.400 0.03 1 448 474 137 ILE CB C 37.620 0.03 1 449 474 137 ILE N N 123.870 0.04 1 450 475 138 PRO C C 177.080 0.03 1 451 475 138 PRO CA C 62.960 0.03 1 452 475 138 PRO CB C 31.070 0.03 1 453 476 139 ILE H H 8.190 0.004 1 454 476 139 ILE CA C 61.000 0.03 1 455 476 139 ILE CB C 37.550 0.03 1 456 476 139 ILE N N 121.160 0.04 1 457 486 149 ILE C C 175.370 0.03 1 458 486 149 ILE CA C 59.490 0.03 1 459 486 149 ILE CB C 38.710 0.03 1 460 487 150 VAL H H 9.133 0.004 1 461 487 150 VAL C C 172.120 0.03 1 462 487 150 VAL CA C 61.870 0.03 1 463 487 150 VAL CB C 33.370 0.03 1 464 487 150 VAL N N 128.140 0.04 1 465 488 151 PHE H H 9.109 0.004 1 466 488 151 PHE C C 173.440 0.03 1 467 488 151 PHE CA C 54.590 0.03 1 468 488 151 PHE CB C 41.490 0.03 1 469 488 151 PHE N N 129.710 0.04 1 470 489 152 GLY H H 8.916 0.004 1 471 489 152 GLY C C 169.300 0.03 1 472 489 152 GLY CA C 43.720 0.03 1 473 489 152 GLY N N 113.960 0.04 1 474 490 153 TYR H H 8.851 0.004 1 475 490 153 TYR C C 173.380 0.03 1 476 490 153 TYR CA C 55.740 0.03 1 477 490 153 TYR CB C 39.640 0.03 1 478 490 153 TYR N N 127.560 0.04 1 479 491 154 ALA H H 9.069 0.004 1 480 491 154 ALA CA C 50.010 0.03 1 481 491 154 ALA CB C 18.650 0.03 1 482 491 154 ALA N N 134.390 0.04 1 483 495 158 GLY C C 174.090 0.03 1 484 495 158 GLY CA C 45.050 0.03 1 485 496 159 ALA H H 8.162 0.004 1 486 496 159 ALA C C 177.910 0.03 1 487 496 159 ALA CA C 52.360 0.03 1 488 496 159 ALA CB C 18.370 0.03 1 489 496 159 ALA N N 123.840 0.04 1 490 497 160 GLU H H 8.691 0.004 1 491 497 160 GLU C C 176.400 0.03 1 492 497 160 GLU CA C 56.730 0.03 1 493 497 160 GLU CB C 28.900 0.03 1 494 497 160 GLU N N 120.060 0.04 1 495 498 161 ALA H H 8.084 0.004 1 496 498 161 ALA C C 177.400 0.03 1 497 498 161 ALA CA C 52.330 0.03 1 498 498 161 ALA CB C 18.460 0.03 1 499 498 161 ALA N N 124.330 0.04 1 500 499 162 PHE H H 7.930 0.004 1 501 499 162 PHE C C 175.700 0.03 1 502 499 162 PHE CA C 57.490 0.03 1 503 499 162 PHE CB C 38.480 0.03 1 504 499 162 PHE N N 118.200 0.04 1 505 500 163 GLU H H 8.143 0.004 1 506 500 163 GLU C C 176.440 0.03 1 507 500 163 GLU CA C 56.170 0.03 1 508 500 163 GLU CB C 29.580 0.03 1 509 500 163 GLU N N 121.590 0.04 1 510 501 164 ILE H H 8.068 0.004 1 511 501 164 ILE C C 176.400 0.03 1 512 501 164 ILE CA C 61.190 0.03 1 513 501 164 ILE CB C 37.630 0.03 1 514 501 164 ILE N N 121.930 0.04 1 515 502 165 GLN H H 8.312 0.004 1 516 502 165 GLN C C 176.000 0.03 1 517 502 165 GLN CA C 55.630 0.03 1 518 502 165 GLN CB C 28.400 0.03 1 519 502 165 GLN N N 123.370 0.04 1 520 505 168 GLY C C 173.400 0.03 1 521 505 168 GLY CA C 44.590 0.03 1 522 506 169 LEU H H 7.997 0.004 1 523 506 169 LEU C C 175.770 0.03 1 524 506 169 LEU CA C 53.960 0.03 1 525 506 169 LEU CB C 40.870 0.03 1 526 506 169 LEU N N 122.200 0.04 1 527 507 170 ALA H H 7.782 0.004 1 528 507 170 ALA C C 176.380 0.03 1 529 507 170 ALA CA C 51.020 0.03 1 530 507 170 ALA CB C 20.170 0.03 1 531 507 170 ALA N N 124.690 0.04 1 532 508 171 ASN H H 7.789 0.004 1 533 508 171 ASN C C 177.430 0.03 1 534 508 171 ASN CA C 54.270 0.03 1 535 508 171 ASN CB C 42.100 0.03 1 536 508 171 ASN N N 116.130 0.04 1 537 509 172 GLY H H 10.041 0.004 1 538 509 172 GLY C C 173.850 0.03 1 539 509 172 GLY CA C 43.780 0.03 1 540 509 172 GLY N N 112.090 0.04 1 541 510 173 ILE H H 8.309 0.004 1 542 510 173 ILE CA C 64.100 0.03 1 543 510 173 ILE CB C 36.490 0.03 1 544 510 173 ILE N N 119.650 0.04 1 545 511 174 PHE C C 177.380 0.03 1 546 512 175 MET H H 9.483 0.004 1 547 512 175 MET C C 177.880 0.03 1 548 512 175 MET CA C 54.690 0.03 1 549 512 175 MET CB C 27.660 0.03 1 550 512 175 MET N N 119.530 0.04 1 551 513 176 LYS H H 8.284 0.004 1 552 513 176 LYS C C 178.180 0.03 1 553 513 176 LYS CA C 59.440 0.03 1 554 513 176 LYS CB C 30.800 0.03 1 555 513 176 LYS N N 119.040 0.04 1 556 514 177 PHE H H 7.187 0.004 1 557 514 177 PHE C C 178.100 0.03 1 558 514 177 PHE CA C 59.840 0.03 1 559 514 177 PHE CB C 39.740 0.03 1 560 514 177 PHE N N 114.270 0.04 1 561 515 178 LEU H H 8.778 0.004 1 562 515 178 LEU C C 179.880 0.03 1 563 515 178 LEU CA C 57.400 0.03 1 564 515 178 LEU CB C 41.380 0.03 1 565 515 178 LEU N N 122.820 0.04 1 566 516 179 LYS H H 8.605 0.004 1 567 516 179 LYS C C 176.920 0.03 1 568 516 179 LYS CA C 59.280 0.03 1 569 516 179 LYS CB C 30.770 0.03 1 570 516 179 LYS N N 115.900 0.04 1 571 517 180 ASP H H 6.959 0.004 1 572 517 180 ASP C C 176.960 0.03 1 573 517 180 ASP CA C 55.280 0.03 1 574 517 180 ASP CB C 40.280 0.03 1 575 517 180 ASP N N 116.950 0.04 1 576 518 181 ARG H H 7.456 0.004 1 577 518 181 ARG C C 176.800 0.03 1 578 518 181 ARG CA C 55.490 0.03 1 579 518 181 ARG CB C 31.220 0.03 1 580 518 181 ARG N N 116.660 0.04 1 581 519 182 LEU H H 7.003 0.004 1 582 519 182 LEU C C 175.230 0.03 1 583 519 182 LEU CA C 57.240 0.03 1 584 519 182 LEU CB C 42.100 0.03 1 585 519 182 LEU N N 117.010 0.04 1 586 520 183 LEU H H 7.797 0.004 1 587 520 183 LEU C C 177.450 0.03 1 588 520 183 LEU CA C 53.800 0.03 1 589 520 183 LEU CB C 39.560 0.03 1 590 520 183 LEU N N 112.340 0.04 1 591 521 184 GLU H H 7.568 0.004 1 592 521 184 GLU C C 176.390 0.03 1 593 521 184 GLU CA C 56.570 0.03 1 594 521 184 GLU CB C 30.070 0.03 1 595 521 184 GLU N N 119.040 0.04 1 596 522 185 ASP H H 8.421 0.004 1 597 522 185 ASP C C 175.460 0.03 1 598 522 185 ASP CA C 52.250 0.03 1 599 522 185 ASP CB C 38.310 0.03 1 600 522 185 ASP N N 122.690 0.04 1 601 523 186 LYS H H 7.425 0.004 1 602 523 186 LYS C C 173.700 0.03 1 603 523 186 LYS CA C 53.910 0.03 1 604 523 186 LYS CB C 35.860 0.03 1 605 523 186 LYS N N 123.660 0.04 1 606 524 187 LYS H H 8.617 0.004 1 607 524 187 LYS C C 179.530 0.03 1 608 524 187 LYS CA C 56.470 0.03 1 609 524 187 LYS CB C 32.770 0.03 1 610 524 187 LYS N N 122.980 0.04 1 611 525 188 ILE H H 8.251 0.004 1 612 525 188 ILE C C 175.190 0.03 1 613 525 188 ILE CA C 61.590 0.03 1 614 525 188 ILE CB C 36.530 0.03 1 615 525 188 ILE N N 125.830 0.04 1 616 526 189 THR H H 6.816 0.004 1 617 526 189 THR C C 176.170 0.03 1 618 526 189 THR CA C 64.610 0.03 1 619 526 189 THR CB C 66.060 0.03 1 620 526 189 THR N N 110.190 0.04 1 621 527 190 VAL H H 6.777 0.004 1 622 527 190 VAL C C 177.790 0.03 1 623 527 190 VAL CA C 64.880 0.03 1 624 527 190 VAL CB C 30.870 0.03 1 625 527 190 VAL N N 123.980 0.04 1 626 528 191 LEU H H 7.509 0.004 1 627 528 191 LEU C C 179.380 0.03 1 628 528 191 LEU CA C 58.380 0.03 1 629 528 191 LEU CB C 42.060 0.03 1 630 528 191 LEU N N 120.380 0.04 1 631 529 192 LEU H H 7.987 0.004 1 632 529 192 LEU C C 178.200 0.03 1 633 529 192 LEU CA C 57.470 0.03 1 634 529 192 LEU CB C 40.140 0.03 1 635 529 192 LEU N N 116.550 0.04 1 636 530 193 ASP H H 7.930 0.004 1 637 530 193 ASP C C 179.800 0.03 1 638 530 193 ASP CA C 57.290 0.03 1 639 530 193 ASP CB C 39.720 0.03 1 640 530 193 ASP N N 121.550 0.04 1 641 531 194 GLU H H 8.089 0.004 1 642 531 194 GLU C C 179.400 0.03 1 643 531 194 GLU CA C 59.190 0.03 1 644 531 194 GLU CB C 27.850 0.03 1 645 531 194 GLU N N 121.330 0.04 1 646 532 195 VAL H H 7.925 0.004 1 647 532 195 VAL C C 177.760 0.03 1 648 532 195 VAL CA C 66.130 0.03 1 649 532 195 VAL CB C 30.340 0.03 1 650 532 195 VAL N N 121.330 0.04 1 651 533 196 ALA H H 8.499 0.004 1 652 533 196 ALA C C 181.050 0.03 1 653 533 196 ALA CA C 55.050 0.03 1 654 533 196 ALA CB C 17.000 0.03 1 655 533 196 ALA N N 122.170 0.04 1 656 534 197 GLU H H 8.046 0.004 1 657 534 197 GLU C C 179.400 0.03 1 658 534 197 GLU CA C 58.650 0.03 1 659 534 197 GLU CB C 28.350 0.03 1 660 534 197 GLU N N 120.700 0.04 1 661 535 198 ASP H H 8.130 0.004 1 662 535 198 ASP C C 179.580 0.03 1 663 535 198 ASP CA C 57.060 0.03 1 664 535 198 ASP CB C 39.400 0.03 1 665 535 198 ASP N N 122.270 0.04 1 666 536 199 MET H H 8.334 0.004 1 667 536 199 MET C C 178.660 0.03 1 668 536 199 MET CA C 58.750 0.03 1 669 536 199 MET CB C 32.740 0.03 1 670 536 199 MET N N 119.090 0.04 1 671 537 200 GLY H H 7.854 0.004 1 672 537 200 GLY C C 174.980 0.03 1 673 537 200 GLY CA C 45.810 0.03 1 674 537 200 GLY N N 106.240 0.04 1 675 538 201 LYS H H 7.247 0.004 1 676 538 201 LYS C C 176.750 0.03 1 677 538 201 LYS CA C 56.170 0.03 1 678 538 201 LYS CB C 32.230 0.03 1 679 538 201 LYS N N 118.500 0.04 1 680 544 207 GLY C C 174.160 0.03 1 681 544 207 GLY CA C 45.000 0.03 1 682 545 208 LYS H H 7.974 0.004 1 683 545 208 LYS C C 175.680 0.03 1 684 545 208 LYS CA C 55.790 0.03 1 685 545 208 LYS CB C 32.640 0.03 1 686 545 208 LYS N N 119.990 0.04 1 687 546 209 GLN H H 9.661 0.004 1 688 546 209 GLN CA C 55.830 0.03 1 689 546 209 GLN CB C 28.350 0.03 1 690 546 209 GLN N N 117.080 0.04 1 691 548 211 LEU C C 173.930 0.03 1 692 548 211 LEU CA C 54.270 0.03 1 693 548 211 LEU CB C 43.810 0.03 1 694 549 212 GLU H H 8.206 0.004 1 695 549 212 GLU C C 174.710 0.03 1 696 549 212 GLU CA C 54.390 0.03 1 697 549 212 GLU CB C 31.670 0.03 1 698 549 212 GLU N N 127.290 0.04 1 699 550 213 ILE H H 8.755 0.004 1 700 550 213 ILE C C 177.020 0.03 1 701 550 213 ILE CA C 58.940 0.03 1 702 550 213 ILE CB C 39.700 0.03 1 703 550 213 ILE N N 124.320 0.04 1 704 551 214 ARG H H 9.463 0.004 1 705 551 214 ARG C C 174.550 0.03 1 706 551 214 ARG CA C 53.380 0.03 1 707 551 214 ARG CB C 32.090 0.03 1 708 551 214 ARG N N 127.480 0.04 1 709 552 215 SER H H 8.736 0.004 1 710 552 215 SER C C 173.700 0.03 1 711 552 215 SER CA C 57.140 0.03 1 712 552 215 SER CB C 65.470 0.03 1 713 552 215 SER N N 116.050 0.04 1 714 553 216 SER H H 8.864 0.004 1 715 553 216 SER CA C 56.590 0.03 1 716 553 216 SER N N 119.000 0.04 1 717 557 220 LYS C C 174.740 0.03 1 718 557 220 LYS CA C 56.790 0.03 1 719 557 220 LYS CB C 29.940 0.03 1 720 558 221 ARG H H 7.178 0.004 1 721 558 221 ARG C C 173.650 0.03 1 722 558 221 ARG CA C 54.570 0.03 1 723 558 221 ARG CB C 32.780 0.03 1 724 558 221 ARG N N 125.700 0.04 1 725 559 222 ALA H H 8.800 0.004 1 726 559 222 ALA C C 177.840 0.03 1 727 559 222 ALA CA C 50.060 0.03 1 728 559 222 ALA CB C 23.920 0.03 1 729 559 222 ALA N N 125.420 0.04 1 730 560 223 LEU H H 9.965 0.004 1 731 560 223 LEU C C 176.710 0.03 1 732 560 223 LEU CA C 57.020 0.03 1 733 560 223 LEU CB C 39.570 0.03 1 734 560 223 LEU N N 120.130 0.04 1 735 561 224 THR H H 7.269 0.004 1 736 561 224 THR C C 175.630 0.03 1 737 561 224 THR CA C 60.810 0.03 1 738 561 224 THR CB C 68.720 0.03 1 739 561 224 THR N N 103.870 0.04 1 740 562 225 ASP H H 7.690 0.004 1 741 562 225 ASP C C 173.400 0.03 1 742 562 225 ASP CA C 53.640 0.03 1 743 562 225 ASP CB C 37.770 0.03 1 744 562 225 ASP N N 126.940 0.04 1 745 563 226 PRO C C 175.360 0.03 1 746 563 226 PRO CA C 61.760 0.03 1 747 563 226 PRO CB C 31.410 0.03 1 748 564 227 ILE H H 8.126 0.004 1 749 564 227 ILE C C 177.260 0.03 1 750 564 227 ILE CA C 59.960 0.03 1 751 564 227 ILE CB C 38.240 0.03 1 752 564 227 ILE N N 118.730 0.04 1 753 565 228 GLN H H 8.445 0.004 1 754 565 228 GLN C C 175.570 0.03 1 755 565 228 GLN CA C 55.750 0.03 1 756 565 228 GLN CB C 29.700 0.03 1 757 565 228 GLN N N 127.870 0.04 1 758 566 229 GLY H H 8.503 0.004 1 759 566 229 GLY C C 174.270 0.03 1 760 566 229 GLY CA C 45.250 0.03 1 761 566 229 GLY N N 112.370 0.04 1 762 567 230 THR H H 7.937 0.004 1 763 567 230 THR CA C 61.780 0.03 1 764 567 230 THR CB C 69.300 0.03 1 765 567 230 THR N N 114.660 0.04 1 766 571 234 ALA C C 178.810 0.03 1 767 571 234 ALA CA C 53.530 0.03 1 768 571 234 ALA CB C 17.930 0.03 1 769 572 235 GLU H H 8.410 0.004 1 770 572 235 GLU C C 177.560 0.03 1 771 572 235 GLU CA C 57.460 0.03 1 772 572 235 GLU CB C 28.850 0.03 1 773 572 235 GLU N N 118.350 0.04 1 774 573 236 SER H H 7.964 0.004 1 775 573 236 SER C C 175.080 0.03 1 776 573 236 SER CA C 59.190 0.03 1 777 573 236 SER CB C 62.930 0.03 1 778 573 236 SER N N 116.330 0.04 1 779 574 237 LEU H H 8.204 0.004 1 780 574 237 LEU C C 177.680 0.03 1 781 574 237 LEU CA C 55.340 0.03 1 782 574 237 LEU CB C 40.250 0.03 1 783 574 237 LEU N N 124.510 0.04 1 784 575 238 VAL H H 7.672 0.004 1 785 575 238 VAL C C 178.400 0.03 1 786 575 238 VAL CA C 65.180 0.03 1 787 575 238 VAL CB C 30.990 0.03 1 788 575 238 VAL N N 119.980 0.04 1 789 576 239 ARG H H 8.339 0.004 1 790 576 239 ARG C C 178.400 0.03 1 791 576 239 ARG CA C 58.140 0.03 1 792 576 239 ARG CB C 29.060 0.03 1 793 576 239 ARG N N 120.750 0.04 1 794 577 240 ASN H H 8.089 0.004 1 795 577 240 ASN C C 176.800 0.03 1 796 577 240 ASN CA C 56.100 0.03 1 797 577 240 ASN N N 120.600 0.04 1 798 578 241 LEU H H 8.089 0.004 1 799 578 241 LEU CA C 57.140 0.03 1 800 578 241 LEU CB C 40.660 0.03 1 801 578 241 LEU N N 120.790 0.04 1 802 579 242 GLN H H 7.904 0.004 1 803 579 242 GLN C C 178.040 0.03 1 804 579 242 GLN CA C 58.200 0.03 1 805 579 242 GLN CB C 27.500 0.03 1 806 579 242 GLN N N 118.440 0.04 1 807 580 243 TRP H H 8.007 0.004 1 808 580 243 TRP C C 178.610 0.03 1 809 580 243 TRP CA C 60.320 0.03 1 810 580 243 TRP N N 121.700 0.04 1 811 581 244 ALA H H 7.863 0.004 1 812 581 244 ALA C C 179.180 0.03 1 813 581 244 ALA CA C 53.750 0.03 1 814 581 244 ALA CB C 17.880 0.03 1 815 581 244 ALA N N 117.490 0.04 1 816 582 245 LYS H H 7.806 0.004 1 817 582 245 LYS C C 177.560 0.03 1 818 582 245 LYS CA C 56.420 0.03 1 819 582 245 LYS CB C 31.300 0.03 1 820 582 245 LYS N N 116.770 0.04 1 821 583 246 ALA H H 7.344 0.004 1 822 583 246 ALA C C 175.000 0.03 1 823 583 246 ALA CA C 53.240 0.03 1 824 583 246 ALA CB C 17.620 0.03 1 825 583 246 ALA N N 122.390 0.04 1 826 584 247 HIS C C 175.420 0.03 1 827 584 247 HIS CA C 54.900 0.03 1 828 584 247 HIS CB C 30.800 0.03 1 829 585 248 GLU H H 7.412 0.004 1 830 585 248 GLU C C 175.730 0.03 1 831 585 248 GLU CA C 56.110 0.03 1 832 585 248 GLU CB C 29.570 0.03 1 833 585 248 GLU N N 120.780 0.04 1 834 586 249 LEU H H 8.365 0.004 1 835 586 249 LEU C C 174.900 0.03 1 836 586 249 LEU CA C 52.270 0.03 1 837 586 249 LEU CB C 42.080 0.03 1 838 586 249 LEU N N 127.350 0.04 1 839 587 250 PRO C C 175.600 0.03 1 840 587 250 PRO CA C 61.740 0.03 1 841 587 250 PRO CB C 29.580 0.03 1 842 588 251 GLU H H 8.088 0.004 1 843 588 251 GLU C C 176.600 0.03 1 844 588 251 GLU CA C 55.830 0.03 1 845 588 251 GLU CB C 29.590 0.03 1 846 588 251 GLU N N 121.280 0.04 1 847 589 252 SER H H 8.406 0.004 1 848 589 252 SER C C 174.260 0.03 1 849 589 252 SER CA C 59.080 0.03 1 850 589 252 SER CB C 63.300 0.03 1 851 589 252 SER N N 116.050 0.04 1 852 590 253 MET H H 8.824 0.004 1 853 590 253 MET C C 173.790 0.03 1 854 590 253 MET CA C 54.340 0.03 1 855 590 253 MET CB C 36.870 0.03 1 856 590 253 MET N N 121.230 0.04 1 857 591 254 CYS H H 8.712 0.004 1 858 591 254 CYS C C 174.240 0.03 1 859 591 254 CYS CA C 56.930 0.03 1 860 591 254 CYS CB C 27.210 0.03 1 861 591 254 CYS N N 122.970 0.04 1 862 592 255 LEU H H 9.394 0.004 1 863 592 255 LEU C C 175.280 0.03 1 864 592 255 LEU CA C 53.640 0.03 1 865 592 255 LEU CB C 42.730 0.03 1 866 592 255 LEU N N 129.430 0.04 1 867 593 256 LYS H H 8.630 0.004 1 868 593 256 LYS C C 175.970 0.03 1 869 593 256 LYS CA C 54.820 0.03 1 870 593 256 LYS CB C 32.680 0.03 1 871 593 256 LYS N N 123.460 0.04 1 872 594 257 PHE H H 8.610 0.004 1 873 594 257 PHE C C 178.320 0.03 1 874 594 257 PHE CA C 56.710 0.03 1 875 594 257 PHE CB C 40.660 0.03 1 876 594 257 PHE N N 124.950 0.04 1 877 595 258 ASP H H 9.676 0.004 1 878 595 258 ASP C C 177.700 0.03 1 879 595 258 ASP CA C 57.590 0.03 1 880 595 258 ASP CB C 39.710 0.03 1 881 595 258 ASP N N 126.040 0.04 1 882 596 259 CYS C C 174.720 0.03 1 883 596 259 CYS CA C 57.510 0.03 1 884 596 259 CYS CB C 27.740 0.03 1 885 597 260 GLY H H 8.355 0.004 1 886 597 260 GLY C C 174.190 0.03 1 887 597 260 GLY CA C 44.390 0.03 1 888 597 260 GLY N N 110.260 0.04 1 889 598 261 VAL H H 6.822 0.004 1 890 598 261 VAL C C 174.680 0.03 1 891 598 261 VAL CA C 62.410 0.03 1 892 598 261 VAL CB C 31.930 0.03 1 893 598 261 VAL N N 120.670 0.04 1 894 599 262 GLN H H 8.679 0.004 1 895 599 262 GLN C C 175.470 0.03 1 896 599 262 GLN CA C 53.690 0.03 1 897 599 262 GLN CB C 30.820 0.03 1 898 599 262 GLN N N 124.870 0.04 1 899 600 263 ILE H H 9.147 0.004 1 900 600 263 ILE C C 174.120 0.03 1 901 600 263 ILE CA C 57.490 0.03 1 902 600 263 ILE CB C 40.290 0.03 1 903 600 263 ILE N N 123.400 0.04 1 904 601 264 GLN H H 9.310 0.004 1 905 601 264 GLN C C 174.060 0.03 1 906 601 264 GLN CA C 54.160 0.03 1 907 601 264 GLN CB C 30.180 0.03 1 908 601 264 GLN N N 127.040 0.04 1 909 602 265 LEU H H 8.939 0.004 1 910 602 265 LEU C C 174.430 0.03 1 911 602 265 LEU CA C 53.130 0.03 1 912 602 265 LEU CB C 43.910 0.03 1 913 602 265 LEU N N 129.380 0.04 1 914 603 266 GLY H H 8.045 0.004 1 915 603 266 GLY C C 170.360 0.03 1 916 603 266 GLY CA C 42.030 0.03 1 917 603 266 GLY N N 111.590 0.04 1 918 604 267 PHE H H 7.761 0.004 1 919 604 267 PHE C C 175.130 0.03 1 920 604 267 PHE CA C 55.560 0.03 1 921 604 267 PHE CB C 43.720 0.03 1 922 604 267 PHE N N 113.640 0.04 1 923 605 268 ALA H H 9.361 0.004 1 924 605 268 ALA C C 175.290 0.03 1 925 605 268 ALA CA C 50.790 0.03 1 926 605 268 ALA CB C 22.660 0.03 1 927 605 268 ALA N N 124.170 0.04 1 928 606 269 ALA H H 9.206 0.004 1 929 606 269 ALA C C 176.300 0.03 1 930 606 269 ALA CA C 51.290 0.03 1 931 606 269 ALA CB C 20.840 0.03 1 932 606 269 ALA N N 123.780 0.04 1 933 615 278 TYR C C 174.360 0.03 1 934 615 278 TYR CA C 53.380 0.03 1 935 615 278 TYR CB C 40.700 0.03 1 936 616 279 THR H H 8.497 0.004 1 937 616 279 THR C C 174.260 0.03 1 938 616 279 THR CA C 58.560 0.03 1 939 616 279 THR CB C 70.870 0.03 1 940 616 279 THR N N 110.860 0.04 1 941 617 280 SER H H 8.381 0.004 1 942 617 280 SER C C 173.630 0.03 1 943 617 280 SER CA C 56.590 0.03 1 944 617 280 SER CB C 65.180 0.03 1 945 617 280 SER N N 113.050 0.04 1 946 618 281 ILE H H 8.894 0.004 1 947 618 281 ILE C C 176.510 0.03 1 948 618 281 ILE CA C 60.960 0.03 1 949 618 281 ILE CB C 35.810 0.03 1 950 618 281 ILE N N 124.960 0.04 1 951 619 282 VAL H H 8.402 0.004 1 952 619 282 VAL C C 176.260 0.03 1 953 619 282 VAL CA C 62.410 0.03 1 954 619 282 VAL CB C 32.080 0.03 1 955 619 282 VAL N N 126.230 0.04 1 956 620 283 TYR H H 7.617 0.004 1 957 620 283 TYR C C 172.250 0.03 1 958 620 283 TYR CA C 58.740 0.03 1 959 620 283 TYR CB C 41.220 0.03 1 960 620 283 TYR N N 120.000 0.04 1 961 621 284 LYS H H 7.541 0.004 1 962 621 284 LYS C C 171.500 0.03 1 963 621 284 LYS CA C 51.710 0.03 1 964 621 284 LYS CB C 32.760 0.03 1 965 621 284 LYS N N 127.420 0.04 1 966 623 286 PRO C C 177.740 0.03 1 967 623 286 PRO CA C 64.390 0.03 1 968 623 286 PRO CB C 31.010 0.03 1 969 624 287 GLU H H 9.257 0.004 1 970 624 287 GLU C C 175.670 0.03 1 971 624 287 GLU CA C 57.870 0.03 1 972 624 287 GLU CB C 27.650 0.03 1 973 624 287 GLU N N 115.870 0.04 1 974 625 288 ILE H H 7.586 0.004 1 975 625 288 ILE C C 174.740 0.03 1 976 625 288 ILE CA C 60.140 0.03 1 977 625 288 ILE CB C 36.270 0.03 1 978 625 288 ILE N N 121.770 0.04 1 979 626 289 ILE H H 8.167 0.004 1 980 626 289 ILE C C 175.800 0.03 1 981 626 289 ILE CA C 61.010 0.03 1 982 626 289 ILE CB C 38.030 0.03 1 983 626 289 ILE N N 124.220 0.04 1 984 627 290 MET H H 7.348 0.004 1 985 627 290 MET C C 174.180 0.03 1 986 627 290 MET CA C 54.530 0.03 1 987 627 290 MET CB C 34.060 0.03 1 988 627 290 MET N N 120.810 0.04 1 989 628 291 CYS H H 8.514 0.004 1 990 628 291 CYS C C 171.360 0.03 1 991 628 291 CYS CA C 57.440 0.03 1 992 628 291 CYS CB C 31.500 0.03 1 993 628 291 CYS N N 121.170 0.04 1 994 629 292 ASP H H 8.970 0.004 1 995 629 292 ASP C C 173.020 0.03 1 996 629 292 ASP CA C 53.620 0.03 1 997 629 292 ASP CB C 44.580 0.03 1 998 629 292 ASP N N 125.110 0.04 1 999 630 293 ALA H H 8.389 0.004 1 1000 630 293 ALA C C 175.710 0.03 1 1001 630 293 ALA CA C 49.480 0.03 1 1002 630 293 ALA CB C 20.940 0.03 1 1003 630 293 ALA N N 124.250 0.04 1 1004 631 294 TYR H H 8.491 0.004 1 1005 631 294 TYR C C 174.040 0.03 1 1006 631 294 TYR CA C 55.520 0.03 1 1007 631 294 TYR CB C 39.250 0.03 1 1008 631 294 TYR N N 118.810 0.04 1 1009 632 295 VAL H H 9.120 0.004 1 1010 632 295 VAL C C 176.650 0.03 1 1011 632 295 VAL CA C 59.200 0.03 1 1012 632 295 VAL CB C 32.460 0.03 1 1013 632 295 VAL N N 115.090 0.04 1 1014 633 296 THR H H 9.005 0.004 1 1015 633 296 THR C C 171.370 0.03 1 1016 633 296 THR CA C 59.530 0.03 1 1017 633 296 THR CB C 69.970 0.03 1 1018 633 296 THR N N 117.020 0.04 1 1019 634 297 ASP H H 8.418 0.004 1 1020 634 297 ASP C C 174.870 0.03 1 1021 634 297 ASP CA C 55.070 0.03 1 1022 634 297 ASP CB C 38.100 0.03 1 1023 634 297 ASP N N 117.420 0.04 1 1024 635 298 PHE H H 7.801 0.004 1 1025 635 298 PHE C C 174.300 0.03 1 1026 635 298 PHE CA C 57.690 0.03 1 1027 635 298 PHE CB C 37.690 0.03 1 1028 635 298 PHE N N 116.000 0.04 1 1029 636 299 PRO C C 178.850 0.03 1 1030 636 299 PRO CA C 63.230 0.03 1 1031 636 299 PRO CB C 31.430 0.03 1 1032 637 300 LEU H H 8.882 0.004 1 1033 637 300 LEU C C 179.590 0.03 1 1034 637 300 LEU CA C 57.540 0.03 1 1035 637 300 LEU CB C 40.570 0.03 1 1036 637 300 LEU N N 127.800 0.04 1 1037 638 301 ASP H H 8.532 0.004 1 1038 638 301 ASP C C 176.740 0.03 1 1039 638 301 ASP CA C 55.920 0.03 1 1040 638 301 ASP CB C 40.890 0.03 1 1041 638 301 ASP N N 116.190 0.04 1 1042 639 302 LEU H H 7.292 0.004 1 1043 639 302 LEU C C 176.280 0.03 1 1044 639 302 LEU CA C 54.670 0.03 1 1045 639 302 LEU CB C 40.680 0.03 1 1046 639 302 LEU N N 113.030 0.04 1 1047 640 303 ASP H H 7.783 0.004 1 1048 640 303 ASP C C 174.510 0.03 1 1049 640 303 ASP CA C 54.410 0.03 1 1050 640 303 ASP CB C 39.420 0.03 1 1051 640 303 ASP N N 118.970 0.04 1 1052 641 304 ILE H H 8.409 0.004 1 1053 641 304 ILE C C 175.930 0.03 1 1054 641 304 ILE CA C 58.650 0.03 1 1055 641 304 ILE CB C 36.430 0.03 1 1056 641 304 ILE N N 119.460 0.04 1 1057 642 305 ASP H H 8.994 0.004 1 1058 642 305 ASP CA C 50.570 0.03 1 1059 642 305 ASP CB C 42.040 0.03 1 1060 642 305 ASP N N 132.460 0.04 1 1061 643 306 PRO C C 179.030 0.03 1 1062 643 306 PRO CA C 64.550 0.03 1 1063 643 306 PRO CB C 31.400 0.03 1 1064 644 307 LYS H H 8.724 0.004 1 1065 644 307 LYS C C 176.860 0.03 1 1066 644 307 LYS CA C 58.110 0.03 1 1067 644 307 LYS CB C 30.480 0.03 1 1068 644 307 LYS N N 118.090 0.04 1 1069 645 308 ASP H H 8.221 0.004 1 1070 645 308 ASP C C 175.210 0.03 1 1071 645 308 ASP CA C 54.310 0.03 1 1072 645 308 ASP CB C 41.040 0.03 1 1073 645 308 ASP N N 118.200 0.04 1 1074 646 309 ALA H H 7.275 0.004 1 1075 646 309 ALA C C 175.320 0.03 1 1076 646 309 ALA CA C 50.370 0.03 1 1077 646 309 ALA CB C 21.660 0.03 1 1078 646 309 ALA N N 122.690 0.04 1 1079 647 310 ASN H H 8.553 0.004 1 1080 647 310 ASN C C 174.370 0.03 1 1081 647 310 ASN CA C 54.670 0.03 1 1082 647 310 ASN CB C 37.210 0.03 1 1083 647 310 ASN N N 114.650 0.04 1 1084 648 311 LYS H H 8.974 0.004 1 1085 648 311 LYS C C 178.700 0.03 1 1086 648 311 LYS CA C 52.400 0.03 1 1087 648 311 LYS CB C 33.560 0.03 1 1088 648 311 LYS N N 116.870 0.04 1 1089 649 312 GLY H H 9.342 0.004 1 1090 649 312 GLY C C 174.040 0.03 1 1091 649 312 GLY CA C 45.660 0.03 1 1092 649 312 GLY N N 106.580 0.04 1 1093 650 313 THR H H 7.298 0.004 1 1094 650 313 THR C C 172.800 0.03 1 1095 650 313 THR CA C 58.390 0.03 1 1096 650 313 THR CB C 70.760 0.03 1 1097 650 313 THR N N 108.330 0.04 1 1098 651 314 PRO C C 180.920 0.03 1 1099 651 314 PRO CA C 63.630 0.03 1 1100 651 314 PRO CB C 29.240 0.03 1 1101 652 315 GLU H H 9.975 0.004 1 1102 652 315 GLU C C 180.040 0.03 1 1103 652 315 GLU CA C 60.960 0.03 1 1104 652 315 GLU CB C 26.900 0.03 1 1105 652 315 GLU N N 123.570 0.04 1 1106 653 316 GLU H H 7.342 0.004 1 1107 653 316 GLU C C 177.540 0.03 1 1108 653 316 GLU CA C 58.440 0.03 1 1109 653 316 GLU CB C 30.930 0.03 1 1110 653 316 GLU N N 118.500 0.04 1 1111 654 317 THR H H 7.502 0.004 1 1112 654 317 THR C C 174.310 0.03 1 1113 654 317 THR CA C 61.280 0.03 1 1114 654 317 THR CB C 70.300 0.03 1 1115 654 317 THR N N 108.790 0.04 1 1116 655 318 GLY H H 7.624 0.004 1 1117 655 318 GLY C C 173.740 0.03 1 1118 655 318 GLY CA C 44.150 0.03 1 1119 655 318 GLY N N 107.630 0.04 1 1120 656 319 SER H H 6.782 0.004 1 1121 656 319 SER C C 172.690 0.03 1 1122 656 319 SER CA C 55.540 0.03 1 1123 656 319 SER CB C 61.750 0.03 1 1124 656 319 SER N N 115.580 0.04 1 1125 657 320 TYR H H 9.418 0.004 1 1126 657 320 TYR C C 177.140 0.03 1 1127 657 320 TYR CA C 57.490 0.03 1 1128 657 320 TYR CB C 40.130 0.03 1 1129 657 320 TYR N N 123.690 0.04 1 1130 658 321 LEU H H 7.878 0.004 1 1131 658 321 LEU C C 178.030 0.03 1 1132 658 321 LEU CA C 56.010 0.03 1 1133 658 321 LEU CB C 40.690 0.03 1 1134 658 321 LEU N N 120.090 0.04 1 1135 659 322 VAL H H 8.400 0.004 1 1136 659 322 VAL C C 176.600 0.03 1 1137 659 322 VAL CA C 60.140 0.03 1 1138 659 322 VAL CB C 31.630 0.03 1 1139 659 322 VAL N N 113.950 0.04 1 1140 660 323 SER C C 176.100 0.03 1 1141 660 323 SER CA C 60.540 0.03 1 1142 661 324 LYS H H 7.985 0.004 1 1143 661 324 LYS C C 176.730 0.03 1 1144 661 324 LYS CA C 57.620 0.03 1 1145 661 324 LYS CB C 30.690 0.03 1 1146 661 324 LYS N N 118.500 0.04 1 1147 662 325 ASP H H 7.710 0.004 1 1148 662 325 ASP C C 176.100 0.03 1 1149 662 325 ASP CA C 54.230 0.03 1 1150 662 325 ASP CB C 41.430 0.03 1 1151 662 325 ASP N N 118.380 0.04 1 1152 663 326 LEU H H 7.066 0.004 1 1153 663 326 LEU C C 174.300 0.03 1 1154 663 326 LEU CA C 51.810 0.03 1 1155 663 326 LEU CB C 40.570 0.03 1 1156 663 326 LEU N N 121.040 0.04 1 1157 664 327 PRO C C 176.830 0.03 1 1158 664 327 PRO CA C 62.220 0.03 1 1159 664 327 PRO CB C 30.700 0.03 1 1160 665 328 LYS H H 8.396 0.004 1 1161 665 328 LYS C C 176.130 0.03 1 1162 665 328 LYS CA C 55.320 0.03 1 1163 665 328 LYS CB C 32.600 0.03 1 1164 665 328 LYS N N 121.660 0.04 1 1165 666 329 HIS H H 8.697 0.004 1 1166 666 329 HIS C C 175.540 0.03 1 1167 666 329 HIS CA C 56.450 0.03 1 1168 666 329 HIS CB C 26.520 0.03 1 1169 666 329 HIS N N 113.160 0.04 1 1170 667 330 CYS H H 7.212 0.004 1 1171 667 330 CYS C C 172.690 0.03 1 1172 667 330 CYS CA C 57.490 0.03 1 1173 667 330 CYS CB C 29.640 0.03 1 1174 667 330 CYS N N 117.310 0.04 1 1175 668 331 LEU H H 7.580 0.004 1 1176 668 331 LEU C C 177.780 0.03 1 1177 668 331 LEU CA C 53.560 0.03 1 1178 668 331 LEU CB C 43.230 0.03 1 1179 668 331 LEU N N 116.560 0.04 1 1180 669 332 TYR H H 9.365 0.004 1 1181 669 332 TYR C C 175.410 0.03 1 1182 669 332 TYR CA C 57.240 0.03 1 1183 669 332 TYR CB C 41.160 0.03 1 1184 669 332 TYR N N 119.830 0.04 1 1185 670 333 THR H H 8.899 0.004 1 1186 670 333 THR C C 171.790 0.03 1 1187 670 333 THR CA C 62.850 0.03 1 1188 670 333 THR CB C 72.090 0.03 1 1189 670 333 THR N N 118.090 0.04 1 1190 671 334 ARG H H 9.248 0.004 1 1191 671 334 ARG C C 173.580 0.03 1 1192 671 334 ARG CA C 55.000 0.03 1 1193 671 334 ARG CB C 31.390 0.03 1 1194 671 334 ARG N N 129.820 0.04 1 1195 672 335 LEU H H 9.404 0.004 1 1196 672 335 LEU C C 174.980 0.03 1 1197 672 335 LEU CA C 53.060 0.03 1 1198 672 335 LEU CB C 41.320 0.03 1 1199 672 335 LEU N N 129.530 0.04 1 1200 673 336 SER H H 8.137 0.004 1 1201 673 336 SER C C 173.190 0.03 1 1202 673 336 SER CA C 57.310 0.03 1 1203 673 336 SER CB C 64.050 0.03 1 1204 673 336 SER N N 116.850 0.04 1 1205 674 337 SER H H 8.072 0.004 1 1206 674 337 SER C C 176.830 0.03 1 1207 674 337 SER CA C 56.790 0.03 1 1208 674 337 SER N N 109.050 0.04 1 1209 675 338 LEU H H 8.081 0.004 1 1210 675 338 LEU C C 177.670 0.03 1 1211 675 338 LEU CA C 57.390 0.03 1 1212 675 338 LEU CB C 42.010 0.03 1 1213 675 338 LEU N N 116.130 0.04 1 1214 676 339 GLN H H 9.964 0.004 1 1215 676 339 GLN C C 175.310 0.03 1 1216 676 339 GLN CA C 57.200 0.03 1 1217 676 339 GLN CB C 24.580 0.03 1 1218 676 339 GLN N N 118.450 0.04 1 1219 677 340 LYS H H 8.144 0.004 1 1220 677 340 LYS C C 176.320 0.03 1 1221 677 340 LYS CA C 56.500 0.03 1 1222 677 340 LYS CB C 32.230 0.03 1 1223 677 340 LYS N N 121.090 0.04 1 1224 678 341 LEU H H 7.185 0.004 1 1225 678 341 LEU C C 177.150 0.03 1 1226 678 341 LEU CA C 55.080 0.03 1 1227 678 341 LEU CB C 41.940 0.03 1 1228 678 341 LEU N N 118.490 0.04 1 1229 679 342 LYS H H 9.194 0.004 1 1230 679 342 LYS C C 176.310 0.03 1 1231 679 342 LYS CA C 56.460 0.03 1 1232 679 342 LYS CB C 32.230 0.03 1 1233 679 342 LYS N N 127.620 0.04 1 1234 680 343 GLU H H 7.504 0.004 1 1235 680 343 GLU C C 174.030 0.03 1 1236 680 343 GLU CA C 53.990 0.03 1 1237 680 343 GLU CB C 30.390 0.03 1 1238 680 343 GLU N N 118.610 0.04 1 1239 681 344 HIS H H 7.824 0.004 1 1240 681 344 HIS C C 175.550 0.03 1 1241 681 344 HIS CA C 55.480 0.03 1 1242 681 344 HIS N N 116.420 0.04 1 1243 682 345 LEU H H 9.310 0.004 1 1244 682 345 LEU C C 171.720 0.03 1 1245 682 345 LEU CA C 55.210 0.03 1 1246 682 345 LEU CB C 38.920 0.03 1 1247 682 345 LEU N N 123.720 0.04 1 1248 683 346 VAL H H 6.894 0.004 1 1249 683 346 VAL C C 174.800 0.03 1 1250 683 346 VAL CA C 59.100 0.03 1 1251 683 346 VAL CB C 33.410 0.03 1 1252 683 346 VAL N N 129.870 0.04 1 1253 687 350 CYS C C 172.320 0.03 1 1254 688 351 LEU H H 8.812 0.004 1 1255 688 351 LEU C C 175.310 0.03 1 1256 688 351 LEU CA C 52.600 0.03 1 1257 688 351 LEU CB C 44.520 0.03 1 1258 688 351 LEU N N 125.790 0.04 1 1259 689 352 SER H H 8.853 0.004 1 1260 689 352 SER C C 174.430 0.03 1 1261 689 352 SER CA C 55.960 0.03 1 1262 689 352 SER CB C 63.890 0.03 1 1263 689 352 SER N N 122.040 0.04 1 1264 690 353 TYR H H 9.267 0.004 1 1265 690 353 TYR C C 172.270 0.03 1 1266 690 353 TYR CA C 55.530 0.03 1 1267 690 353 TYR CB C 39.610 0.03 1 1268 690 353 TYR N N 122.530 0.04 1 1269 691 354 GLN H H 7.935 0.004 1 1270 691 354 GLN C C 175.500 0.03 1 1271 691 354 GLN CA C 53.760 0.03 1 1272 691 354 GLN CB C 32.760 0.03 1 1273 691 354 GLN N N 117.460 0.04 1 1274 692 355 TYR H H 9.193 0.004 1 1275 692 355 TYR C C 176.490 0.03 1 1276 692 355 TYR CA C 57.900 0.03 1 1277 692 355 TYR CB C 39.540 0.03 1 1278 692 355 TYR N N 125.240 0.04 1 1279 693 356 SER H H 8.704 0.004 1 1280 693 356 SER C C 176.040 0.03 1 1281 693 356 SER CA C 59.250 0.03 1 1282 693 356 SER CB C 62.630 0.03 1 1283 693 356 SER N N 115.080 0.04 1 1284 694 357 GLY H H 8.766 0.004 1 1285 694 357 GLY C C 173.470 0.03 1 1286 694 357 GLY CA C 45.170 0.03 1 1287 694 357 GLY N N 114.910 0.04 1 1288 695 358 LEU H H 7.762 0.004 1 1289 695 358 LEU C C 177.330 0.03 1 1290 695 358 LEU CA C 53.650 0.03 1 1291 695 358 LEU CB C 42.580 0.03 1 1292 695 358 LEU N N 121.860 0.04 1 1293 696 359 GLU H H 8.591 0.004 1 1294 696 359 GLU C C 176.320 0.03 1 1295 696 359 GLU CA C 56.810 0.03 1 1296 696 359 GLU CB C 29.580 0.03 1 1297 696 359 GLU N N 120.900 0.04 1 1298 697 360 ASP H H 7.626 0.004 1 1299 697 360 ASP C C 175.440 0.03 1 1300 697 360 ASP CA C 53.780 0.03 1 1301 697 360 ASP CB C 41.430 0.03 1 1302 697 360 ASP N N 118.290 0.04 1 1303 698 361 THR H H 8.314 0.004 1 1304 698 361 THR C C 173.640 0.03 1 1305 698 361 THR CA C 62.020 0.03 1 1306 698 361 THR CB C 69.400 0.03 1 1307 698 361 THR N N 116.980 0.04 1 1308 699 362 VAL H H 8.908 0.004 1 1309 699 362 VAL C C 173.400 0.03 1 1310 699 362 VAL CA C 60.730 0.03 1 1311 699 362 VAL CB C 32.310 0.03 1 1312 699 362 VAL N N 128.410 0.04 1 1313 700 363 GLU H H 7.933 0.004 1 1314 700 363 GLU C C 176.050 0.03 1 1315 700 363 GLU CA C 53.900 0.03 1 1316 700 363 GLU CB C 32.680 0.03 1 1317 700 363 GLU N N 121.900 0.04 1 1318 701 364 ASP H H 9.186 0.004 1 1319 701 364 ASP C C 174.490 0.03 1 1320 701 364 ASP CA C 52.410 0.03 1 1321 701 364 ASP CB C 44.700 0.03 1 1322 701 364 ASP N N 123.910 0.04 1 1323 702 365 LYS H H 8.878 0.004 1 1324 702 365 LYS C C 175.450 0.03 1 1325 702 365 LYS CA C 55.330 0.03 1 1326 702 365 LYS CB C 35.460 0.03 1 1327 702 365 LYS N N 120.630 0.04 1 1328 703 366 GLN H H 8.862 0.004 1 1329 703 366 GLN C C 173.670 0.03 1 1330 703 366 GLN CA C 54.750 0.03 1 1331 703 366 GLN CB C 32.310 0.03 1 1332 703 366 GLN N N 119.670 0.04 1 1333 704 367 GLU H H 8.558 0.004 1 1334 704 367 GLU C C 175.770 0.03 1 1335 704 367 GLU CA C 55.790 0.03 1 1336 704 367 GLU CB C 30.800 0.03 1 1337 704 367 GLU N N 125.020 0.04 1 1338 705 368 VAL H H 8.909 0.004 1 1339 705 368 VAL C C 172.260 0.03 1 1340 705 368 VAL CA C 60.180 0.03 1 1341 705 368 VAL CB C 33.350 0.03 1 1342 705 368 VAL N N 124.620 0.04 1 1343 706 369 ASN H H 8.151 0.004 1 1344 706 369 ASN C C 176.690 0.03 1 1345 706 369 ASN CA C 50.770 0.03 1 1346 706 369 ASN CB C 39.140 0.03 1 1347 706 369 ASN N N 122.000 0.04 1 1348 707 370 VAL H H 8.402 0.004 1 1349 707 370 VAL C C 175.900 0.03 1 1350 707 370 VAL CA C 58.980 0.03 1 1351 707 370 VAL CB C 30.110 0.03 1 1352 707 370 VAL N N 117.450 0.04 1 1353 708 371 GLY H H 8.613 0.004 1 1354 708 371 GLY C C 173.440 0.03 1 1355 708 371 GLY CA C 45.520 0.03 1 1356 708 371 GLY N N 110.490 0.04 1 1357 709 372 LYS H H 8.520 0.004 1 1358 709 372 LYS C C 173.000 0.03 1 1359 709 372 LYS CA C 52.810 0.03 1 1360 709 372 LYS CB C 31.720 0.03 1 1361 709 372 LYS N N 125.050 0.04 1 1362 710 373 PRO C C 175.260 0.03 1 1363 710 373 PRO CA C 61.230 0.03 1 1364 710 373 PRO CB C 32.030 0.03 1 1365 711 374 LEU H H 8.663 0.004 1 1366 711 374 LEU C C 176.760 0.03 1 1367 711 374 LEU CA C 55.560 0.03 1 1368 711 374 LEU CB C 38.910 0.03 1 1369 711 374 LEU N N 117.490 0.04 1 1370 712 375 ILE H H 8.227 0.004 1 1371 712 375 ILE C C 176.100 0.03 1 1372 712 375 ILE CA C 58.520 0.03 1 1373 712 375 ILE CB C 37.710 0.03 1 1374 712 375 ILE N N 122.040 0.04 1 1375 713 376 ALA H H 8.409 0.004 1 1376 713 376 ALA C C 178.680 0.03 1 1377 713 376 ALA CA C 53.400 0.03 1 1378 713 376 ALA CB C 16.940 0.03 1 1379 713 376 ALA N N 125.890 0.04 1 1380 714 377 LYS H H 7.522 0.004 1 1381 714 377 LYS C C 177.370 0.03 1 1382 714 377 LYS CA C 57.650 0.03 1 1383 714 377 LYS CB C 31.700 0.03 1 1384 714 377 LYS N N 116.180 0.04 1 1385 715 378 LEU H H 7.658 0.004 1 1386 715 378 LEU C C 176.240 0.03 1 1387 715 378 LEU CA C 55.270 0.03 1 1388 715 378 LEU CB C 41.010 0.03 1 1389 715 378 LEU N N 117.810 0.04 1 1390 716 379 ASP H H 7.813 0.004 1 1391 716 379 ASP C C 177.180 0.03 1 1392 716 379 ASP CA C 54.440 0.03 1 1393 716 379 ASP CB C 38.940 0.03 1 1394 716 379 ASP N N 118.470 0.04 1 1395 717 380 MET H H 8.880 0.004 1 1396 717 380 MET C C 175.840 0.03 1 1397 717 380 MET CA C 57.970 0.03 1 1398 717 380 MET CB C 32.280 0.03 1 1399 717 380 MET N N 118.880 0.04 1 1400 718 381 HIS H H 7.762 0.004 1 1401 718 381 HIS C C 176.280 0.03 1 1402 718 381 HIS CA C 55.960 0.03 1 1403 718 381 HIS CB C 29.570 0.03 1 1404 718 381 HIS N N 115.540 0.04 1 1405 719 382 ARG H H 7.333 0.004 1 1406 719 382 ARG CA C 56.270 0.03 1 1407 719 382 ARG CB C 28.510 0.03 1 1408 719 382 ARG N N 120.180 0.04 1 stop_ save_