data_5471 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone HN,13C,15N assignments for Malate Synthase G from E.coli ; _BMRB_accession_number 5471 _BMRB_flat_file_name bmr5471.str _Entry_type original _Submission_date 2002-07-23 _Accession_date 2002-07-23 _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 Tugarinov Vitali . . 2 Muhandiram Ranjith . . 3 Ayed Ayeda . . 4 Kay Lewis E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 654 "13C chemical shifts" 2046 "15N chemical shifts" 654 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-09-05 original author . stop_ _Original_release_date 2002-09-05 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Four-dimensional NMR Spectroscopy of a 723-residue Protein: Chemical Shift Assignments and Secondary Structure of Malate Synthase G ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22176724 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Tugarinov Vitali . . 2 Muhandiram Ranjith . . 3 Ayed Ayeda . . 4 Kay Lewis E. . stop_ _Journal_abbreviation 'J. Am. Chem. Soc.' _Journal_volume 124 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10025 _Page_last 10035 _Year 2002 _Details . save_ ################################## # Molecular system description # ################################## save_system_malate_synthase _Saveframe_category molecular_system _Mol_system_name 'Malate Synthase G' _Abbreviation_common 'malate synthase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'malate synthase G' $malate_synthase_G stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_malate_synthase_G _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'malate synthase G' _Abbreviation_common MSG _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 731 _Mol_residue_sequence ; MAQTITQSRLRIDANFKRFV DEEVLPGTGLDAAAFWRNFD EIVHDLAPENRQLLAERDRI QAALDEWHRSNPGPVKDKAA YKSFLRELGYLVPQPERVTV ETTGIDSEITSQAGPQLVVP AMNARYALNAANARWGSLYD ALYGSDIIPQEGAMVSGYDP QRGEQVIAWVRRFLDESLPL ENGSYQDVVAFKVVDKQLRI QLKNGKETTLRTPAQFVGYR GDAAAPTCILLKNNGLHIEL QIDANGRIGKDDPAHINDVI VEAAISTILDCEDSVAAVDA EDKILLYRNLLGLMQGTLQE KMEKNGRQIVRKLNDDRHYT AADGSEISLHGRSLLFIRNV GHLMTIPVIWDSEGNEIPEG ILDGVMTGAIALYDLKVQKN SRTGSVYIVKPKMHGPQEVA FANKLFTRIETMLGMAPNTL KMGIMDEERRTSLNLRSCIA QARNRVAFINTGFLDRTGDE MHSVMEAGPMLRKNQMKSTP WIKAYERNNVLSGLFCGLRG KAQIGKGMWAMPDLMADMYS QKGDQLRAGANTAWVPSPTA ATLHALHYHQTNVQSVQANI AQTEFNAEFEPLLDDLLTIP VAENANWSAQEIQQELDNNV QGILGYVVRWVEQGIGCSKV PDIHNVALMEDRATLRISSQ HIANWLRHGILTKEQVQASL ENMAKVVDQQNAGDPAYRPM AGNFANSCAFKAASDLIFLG VKQPNGYTEPLLHAWRLREK ESHLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLN 4 THR 5 ILE 6 THR 7 GLN 8 SER 9 ARG 10 LEU 11 ARG 12 ILE 13 ASP 14 ALA 15 ASN 16 PHE 17 LYS 18 ARG 19 PHE 20 VAL 21 ASP 22 GLU 23 GLU 24 VAL 25 LEU 26 PRO 27 GLY 28 THR 29 GLY 30 LEU 31 ASP 32 ALA 33 ALA 34 ALA 35 PHE 36 TRP 37 ARG 38 ASN 39 PHE 40 ASP 41 GLU 42 ILE 43 VAL 44 HIS 45 ASP 46 LEU 47 ALA 48 PRO 49 GLU 50 ASN 51 ARG 52 GLN 53 LEU 54 LEU 55 ALA 56 GLU 57 ARG 58 ASP 59 ARG 60 ILE 61 GLN 62 ALA 63 ALA 64 LEU 65 ASP 66 GLU 67 TRP 68 HIS 69 ARG 70 SER 71 ASN 72 PRO 73 GLY 74 PRO 75 VAL 76 LYS 77 ASP 78 LYS 79 ALA 80 ALA 81 TYR 82 LYS 83 SER 84 PHE 85 LEU 86 ARG 87 GLU 88 LEU 89 GLY 90 TYR 91 LEU 92 VAL 93 PRO 94 GLN 95 PRO 96 GLU 97 ARG 98 VAL 99 THR 100 VAL 101 GLU 102 THR 103 THR 104 GLY 105 ILE 106 ASP 107 SER 108 GLU 109 ILE 110 THR 111 SER 112 GLN 113 ALA 114 GLY 115 PRO 116 GLN 117 LEU 118 VAL 119 VAL 120 PRO 121 ALA 122 MET 123 ASN 124 ALA 125 ARG 126 TYR 127 ALA 128 LEU 129 ASN 130 ALA 131 ALA 132 ASN 133 ALA 134 ARG 135 TRP 136 GLY 137 SER 138 LEU 139 TYR 140 ASP 141 ALA 142 LEU 143 TYR 144 GLY 145 SER 146 ASP 147 ILE 148 ILE 149 PRO 150 GLN 151 GLU 152 GLY 153 ALA 154 MET 155 VAL 156 SER 157 GLY 158 TYR 159 ASP 160 PRO 161 GLN 162 ARG 163 GLY 164 GLU 165 GLN 166 VAL 167 ILE 168 ALA 169 TRP 170 VAL 171 ARG 172 ARG 173 PHE 174 LEU 175 ASP 176 GLU 177 SER 178 LEU 179 PRO 180 LEU 181 GLU 182 ASN 183 GLY 184 SER 185 TYR 186 GLN 187 ASP 188 VAL 189 VAL 190 ALA 191 PHE 192 LYS 193 VAL 194 VAL 195 ASP 196 LYS 197 GLN 198 LEU 199 ARG 200 ILE 201 GLN 202 LEU 203 LYS 204 ASN 205 GLY 206 LYS 207 GLU 208 THR 209 THR 210 LEU 211 ARG 212 THR 213 PRO 214 ALA 215 GLN 216 PHE 217 VAL 218 GLY 219 TYR 220 ARG 221 GLY 222 ASP 223 ALA 224 ALA 225 ALA 226 PRO 227 THR 228 CYS 229 ILE 230 LEU 231 LEU 232 LYS 233 ASN 234 ASN 235 GLY 236 LEU 237 HIS 238 ILE 239 GLU 240 LEU 241 GLN 242 ILE 243 ASP 244 ALA 245 ASN 246 GLY 247 ARG 248 ILE 249 GLY 250 LYS 251 ASP 252 ASP 253 PRO 254 ALA 255 HIS 256 ILE 257 ASN 258 ASP 259 VAL 260 ILE 261 VAL 262 GLU 263 ALA 264 ALA 265 ILE 266 SER 267 THR 268 ILE 269 LEU 270 ASP 271 CYS 272 GLU 273 ASP 274 SER 275 VAL 276 ALA 277 ALA 278 VAL 279 ASP 280 ALA 281 GLU 282 ASP 283 LYS 284 ILE 285 LEU 286 LEU 287 TYR 288 ARG 289 ASN 290 LEU 291 LEU 292 GLY 293 LEU 294 MET 295 GLN 296 GLY 297 THR 298 LEU 299 GLN 300 GLU 301 LYS 302 MET 303 GLU 304 LYS 305 ASN 306 GLY 307 ARG 308 GLN 309 ILE 310 VAL 311 ARG 312 LYS 313 LEU 314 ASN 315 ASP 316 ASP 317 ARG 318 HIS 319 TYR 320 THR 321 ALA 322 ALA 323 ASP 324 GLY 325 SER 326 GLU 327 ILE 328 SER 329 LEU 330 HIS 331 GLY 332 ARG 333 SER 334 LEU 335 LEU 336 PHE 337 ILE 338 ARG 339 ASN 340 VAL 341 GLY 342 HIS 343 LEU 344 MET 345 THR 346 ILE 347 PRO 348 VAL 349 ILE 350 TRP 351 ASP 352 SER 353 GLU 354 GLY 355 ASN 356 GLU 357 ILE 358 PRO 359 GLU 360 GLY 361 ILE 362 LEU 363 ASP 364 GLY 365 VAL 366 MET 367 THR 368 GLY 369 ALA 370 ILE 371 ALA 372 LEU 373 TYR 374 ASP 375 LEU 376 LYS 377 VAL 378 GLN 379 LYS 380 ASN 381 SER 382 ARG 383 THR 384 GLY 385 SER 386 VAL 387 TYR 388 ILE 389 VAL 390 LYS 391 PRO 392 LYS 393 MET 394 HIS 395 GLY 396 PRO 397 GLN 398 GLU 399 VAL 400 ALA 401 PHE 402 ALA 403 ASN 404 LYS 405 LEU 406 PHE 407 THR 408 ARG 409 ILE 410 GLU 411 THR 412 MET 413 LEU 414 GLY 415 MET 416 ALA 417 PRO 418 ASN 419 THR 420 LEU 421 LYS 422 MET 423 GLY 424 ILE 425 MET 426 ASP 427 GLU 428 GLU 429 ARG 430 ARG 431 THR 432 SER 433 LEU 434 ASN 435 LEU 436 ARG 437 SER 438 CYS 439 ILE 440 ALA 441 GLN 442 ALA 443 ARG 444 ASN 445 ARG 446 VAL 447 ALA 448 PHE 449 ILE 450 ASN 451 THR 452 GLY 453 PHE 454 LEU 455 ASP 456 ARG 457 THR 458 GLY 459 ASP 460 GLU 461 MET 462 HIS 463 SER 464 VAL 465 MET 466 GLU 467 ALA 468 GLY 469 PRO 470 MET 471 LEU 472 ARG 473 LYS 474 ASN 475 GLN 476 MET 477 LYS 478 SER 479 THR 480 PRO 481 TRP 482 ILE 483 LYS 484 ALA 485 TYR 486 GLU 487 ARG 488 ASN 489 ASN 490 VAL 491 LEU 492 SER 493 GLY 494 LEU 495 PHE 496 CYS 497 GLY 498 LEU 499 ARG 500 GLY 501 LYS 502 ALA 503 GLN 504 ILE 505 GLY 506 LYS 507 GLY 508 MET 509 TRP 510 ALA 511 MET 512 PRO 513 ASP 514 LEU 515 MET 516 ALA 517 ASP 518 MET 519 TYR 520 SER 521 GLN 522 LYS 523 GLY 524 ASP 525 GLN 526 LEU 527 ARG 528 ALA 529 GLY 530 ALA 531 ASN 532 THR 533 ALA 534 TRP 535 VAL 536 PRO 537 SER 538 PRO 539 THR 540 ALA 541 ALA 542 THR 543 LEU 544 HIS 545 ALA 546 LEU 547 HIS 548 TYR 549 HIS 550 GLN 551 THR 552 ASN 553 VAL 554 GLN 555 SER 556 VAL 557 GLN 558 ALA 559 ASN 560 ILE 561 ALA 562 GLN 563 THR 564 GLU 565 PHE 566 ASN 567 ALA 568 GLU 569 PHE 570 GLU 571 PRO 572 LEU 573 LEU 574 ASP 575 ASP 576 LEU 577 LEU 578 THR 579 ILE 580 PRO 581 VAL 582 ALA 583 GLU 584 ASN 585 ALA 586 ASN 587 TRP 588 SER 589 ALA 590 GLN 591 GLU 592 ILE 593 GLN 594 GLN 595 GLU 596 LEU 597 ASP 598 ASN 599 ASN 600 VAL 601 GLN 602 GLY 603 ILE 604 LEU 605 GLY 606 TYR 607 VAL 608 VAL 609 ARG 610 TRP 611 VAL 612 GLU 613 GLN 614 GLY 615 ILE 616 GLY 617 CYS 618 SER 619 LYS 620 VAL 621 PRO 622 ASP 623 ILE 624 HIS 625 ASN 626 VAL 627 ALA 628 LEU 629 MET 630 GLU 631 ASP 632 ARG 633 ALA 634 THR 635 LEU 636 ARG 637 ILE 638 SER 639 SER 640 GLN 641 HIS 642 ILE 643 ALA 644 ASN 645 TRP 646 LEU 647 ARG 648 HIS 649 GLY 650 ILE 651 LEU 652 THR 653 LYS 654 GLU 655 GLN 656 VAL 657 GLN 658 ALA 659 SER 660 LEU 661 GLU 662 ASN 663 MET 664 ALA 665 LYS 666 VAL 667 VAL 668 ASP 669 GLN 670 GLN 671 ASN 672 ALA 673 GLY 674 ASP 675 PRO 676 ALA 677 TYR 678 ARG 679 PRO 680 MET 681 ALA 682 GLY 683 ASN 684 PHE 685 ALA 686 ASN 687 SER 688 CYS 689 ALA 690 PHE 691 LYS 692 ALA 693 ALA 694 SER 695 ASP 696 LEU 697 ILE 698 PHE 699 LEU 700 GLY 701 VAL 702 LYS 703 GLN 704 PRO 705 ASN 706 GLY 707 TYR 708 THR 709 GLU 710 PRO 711 LEU 712 LEU 713 HIS 714 ALA 715 TRP 716 ARG 717 LEU 718 ARG 719 GLU 720 LYS 721 GLU 722 SER 723 HIS 724 LEU 725 GLU 726 HIS 727 HIS 728 HIS 729 HIS 730 HIS 731 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1D8C "Malate Synthase G Complexed With Magnesium And Glyoxylate" 98.77 723 96.95 96.95 0.00e+00 PDB 1P7T "Structure Of Escherichia Coli Malate Synthase G:pyruvate:acetyl- Coenzyme A Abortive Ternary Complex At 1.95 Angstrom Resolutio" 100.00 731 99.86 99.86 0.00e+00 PDB 1Y8B "Solution Nmr-Derived Global Fold Of Malate Synthase G From E.Coli" 100.00 731 100.00 100.00 0.00e+00 PDB 2JQX "Solution Structure Of Malate Synthase G From Joint Refinement Against Nmr And Saxs Data" 98.91 723 100.00 100.00 0.00e+00 DBJ BAE77036 "malate synthase G [Escherichia coli str. K-12 substr. W3110]" 98.91 723 99.86 100.00 0.00e+00 DBJ BAG78777 "malate synthase [Escherichia coli SE11]" 98.91 723 99.03 99.45 0.00e+00 DBJ BAI27259 "malate synthase G [Escherichia coli O26:H11 str. 11368]" 98.91 723 98.89 99.31 0.00e+00 DBJ BAI32372 "malate synthase G [Escherichia coli O103:H2 str. 12009]" 98.91 723 98.89 99.45 0.00e+00 DBJ BAI37581 "malate synthase G [Escherichia coli O111:H- str. 11128]" 98.91 723 98.89 99.31 0.00e+00 EMBL CAA52639 "malate synthase [Escherichia coli K-12]" 98.91 723 99.86 100.00 0.00e+00 EMBL CAE85241 "GlcB protein, malate synthase G [Escherichia coli]" 98.91 723 99.17 99.59 0.00e+00 EMBL CAP77433 "Malate synthase G [Escherichia coli LF82]" 98.91 723 97.93 98.76 0.00e+00 EMBL CAQ33311 "malate synthase G [Escherichia coli BL21(DE3)]" 98.91 723 99.86 100.00 0.00e+00 EMBL CAQ99932 "malate synthase G [Escherichia coli IAI1]" 98.91 723 98.89 99.31 0.00e+00 GB AAA69143 "malate synthase [Escherichia coli str. K-12 substr. MG1655]" 98.91 723 99.86 100.00 0.00e+00 GB AAC76012 "malate synthase G [Escherichia coli str. K-12 substr. MG1655]" 98.91 723 99.86 100.00 0.00e+00 GB AAN44496 "malate synthase G [Shigella flexneri 2a str. 301]" 98.91 723 98.62 98.89 0.00e+00 GB AAN82151 "Malate synthase G [Escherichia coli CFT073]" 98.91 723 97.93 98.62 0.00e+00 GB AAP18307 "malate synthase G [Shigella flexneri 2a str. 2457T]" 98.91 723 98.62 98.89 0.00e+00 REF NP_417450 "malate synthase G [Escherichia coli str. K-12 substr. MG1655]" 98.91 723 99.86 100.00 0.00e+00 REF NP_708789 "malate synthase G [Shigella flexneri 2a str. 301]" 98.91 723 98.62 98.89 0.00e+00 REF NP_755578 "malate synthase G [Escherichia coli CFT073]" 98.91 723 97.93 98.62 0.00e+00 REF NP_838497 "malate synthase G [Shigella flexneri 2a str. 2457T]" 98.91 723 98.62 98.89 0.00e+00 REF WP_000005017 "malate synthase [Escherichia coli]" 98.91 723 97.65 98.76 0.00e+00 SP P37330 "RecName: Full=Malate synthase G; Short=MSG [Escherichia coli K-12]" 98.91 723 99.86 100.00 0.00e+00 SP P59663 "RecName: Full=Malate synthase G [Shigella flexneri]" 98.91 723 98.62 98.89 0.00e+00 SP Q8FDN6 "RecName: Full=Malate synthase G [Escherichia coli CFT073]" 98.91 723 97.93 98.62 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Plasmid $malate_synthase_G E.coli 562 Eubacteria . Escherichia coli PET-28B 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 $malate_synthase_G 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'main sample used for the assignments' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $malate_synthase_G . mM 0.5 0.8 '[U-13C; U-15N; U-2H]' MgCl2 20 mM . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $malate_synthase_G 0.8 mM '[U-15N]; [U-2H; NA-Ile, Leu, Val]; [13C]-Ile, Leu, Val' MgCl2 20 mM . stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Task 'data visualization' 'manual assignments' stop_ _Details ; Johnson, B.A.; Blevins, R.A. J. Biomol. NMR 1994, 4, 603-614. ; save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_4D_HNCACO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HNCACO' _Sample_label . save_ save_4D_HNCOCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HNCOCA' _Sample_label . save_ save_4D_HNCOi-1CAi_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HNCOi-1CAi' _Sample_label . save_ save_4D_15N,15N-NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 15N,15N-NOESY' _Sample_label . save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_HN(CO)CACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label . save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HNCACO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HNCOCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4D HNCOi-1CAi' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 15N,15N-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.1 0.1 na temperature 310 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H2O H 1 protons ppm 4.658 internal direct cylindrical internal parallel 1.00 acetate C 13 'methyl carbon' ppm 26.2 external direct cylindrical external parallel 1.00 urea N 15 'amide nitrogen' ppm 76 external direct cylindrical external parallel 1.00 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details ; The chemical shifts reported in the deposition were not corrected for deuterium isotope effects. HN and 15N chemical shifts are reported for the TROSY component of each HN multiplet. ; loop_ _Experiment_label '4D HNCACO' '4D HNCOCA' '4D HNCOi-1CAi' '4D 15N,15N-NOESY' '3D HNCACB' '3D HN(CO)CACB' '3D HNCO' '3D HN(CA)CO' stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'malate synthase G' _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 . 3 GLN C C 175.93 0.15 1 2 . 3 GLN CA C 55.65 0.15 1 3 . 3 GLN CB C 28.36 0.15 1 4 . 4 THR H H 8.27 0.04 1 5 . 4 THR C C 173.24 0.15 1 6 . 4 THR CA C 59.60 0.15 1 7 . 4 THR CB C 71.44 0.15 1 8 . 4 THR N N 114.32 0.15 1 9 . 5 ILE H H 8.94 0.04 1 10 . 5 ILE C C 175.41 0.15 1 11 . 5 ILE CA C 58.56 0.15 1 12 . 5 ILE CB C 40.13 0.15 1 13 . 5 ILE N N 121.58 0.15 1 14 . 6 THR H H 8.41 0.04 1 15 . 6 THR C C 174.12 0.15 1 16 . 6 THR CA C 60.93 0.15 1 17 . 6 THR CB C 68.95 0.15 1 18 . 6 THR N N 121.58 0.15 1 19 . 7 GLN H H 8.51 0.04 1 20 . 7 GLN C C 174.45 0.15 1 21 . 7 GLN CA C 54.68 0.15 1 22 . 7 GLN CB C 29.43 0.15 1 23 . 7 GLN N N 127.48 0.15 1 24 . 8 SER C C 174.53 0.15 1 25 . 8 SER CA C 60.02 0.15 1 26 . 9 ARG H H 8.31 0.04 1 27 . 9 ARG C C 175.87 0.15 1 28 . 9 ARG CA C 56.24 0.15 1 29 . 9 ARG CB C 29.91 0.15 1 30 . 9 ARG N N 123.00 0.15 1 31 . 10 LEU H H 7.99 0.04 1 32 . 10 LEU C C 176.22 0.15 1 33 . 10 LEU CA C 53.17 0.15 1 34 . 10 LEU CB C 42.86 0.15 1 35 . 10 LEU N N 117.23 0.15 1 36 . 11 ARG H H 8.56 0.04 1 37 . 11 ARG C C 175.68 0.15 1 38 . 11 ARG CA C 54.79 0.15 1 39 . 11 ARG CB C 31.34 0.15 1 40 . 11 ARG N N 121.84 0.15 1 41 . 12 ILE H H 9.11 0.04 1 42 . 12 ILE C C 175.60 0.15 1 43 . 12 ILE CA C 59.85 0.15 1 44 . 12 ILE CB C 41.32 0.15 1 45 . 12 ILE N N 124.40 0.15 1 46 . 13 ASP H H 8.90 0.04 1 47 . 13 ASP C C 176.54 0.15 1 48 . 13 ASP CA C 56.24 0.15 1 49 . 13 ASP CB C 43.10 0.15 1 50 . 13 ASP N N 127.99 0.15 1 51 . 14 ALA H H 8.78 0.04 1 52 . 14 ALA C C 179.91 0.15 1 53 . 14 ALA CA C 55.50 0.15 1 54 . 14 ALA CB C 17.68 0.15 1 55 . 14 ALA N N 130.11 0.15 1 56 . 15 ASN H H 8.25 0.04 1 57 . 15 ASN C C 178.49 0.15 1 58 . 15 ASN CA C 55.28 0.15 1 59 . 15 ASN CB C 36.27 0.15 1 60 . 15 ASN N N 118.21 0.15 1 61 . 16 PHE H H 9.46 0.04 1 62 . 16 PHE C C 176.07 0.15 1 63 . 16 PHE CA C 62.25 0.15 1 64 . 16 PHE CB C 39.26 0.15 1 65 . 16 PHE N N 125.89 0.15 1 66 . 17 LYS H H 8.91 0.04 1 67 . 17 LYS C C 177.16 0.15 1 68 . 17 LYS CA C 59.53 0.15 1 69 . 17 LYS CB C 31.73 0.15 1 70 . 17 LYS N N 120.19 0.15 1 71 . 18 ARG H H 7.55 0.04 1 72 . 18 ARG C C 177.59 0.15 1 73 . 18 ARG CA C 59.26 0.15 1 74 . 18 ARG CB C 28.86 0.15 1 75 . 18 ARG N N 117.00 0.15 1 76 . 19 PHE H H 7.72 0.04 1 77 . 19 PHE C C 177.32 0.15 1 78 . 19 PHE CA C 59.96 0.15 1 79 . 19 PHE CB C 37.47 0.15 1 80 . 19 PHE N N 120.02 0.15 1 81 . 20 VAL H H 8.08 0.04 1 82 . 20 VAL C C 177.65 0.15 1 83 . 20 VAL CA C 66.38 0.15 1 84 . 20 VAL CB C 31.01 0.15 1 85 . 20 VAL N N 120.80 0.15 1 86 . 21 ASP H H 8.82 0.04 1 87 . 21 ASP C C 178.28 0.15 1 88 . 21 ASP CA C 57.13 0.15 1 89 . 21 ASP CB C 39.62 0.15 1 90 . 21 ASP N N 119.59 0.15 1 91 . 22 GLU H H 8.67 0.04 1 92 . 22 GLU C C 177.65 0.15 1 93 . 22 GLU CA C 56.81 0.15 1 94 . 22 GLU CB C 29.58 0.15 1 95 . 22 GLU N N 113.73 0.15 1 96 . 23 GLU H H 7.74 0.04 1 97 . 23 GLU C C 176.69 0.15 1 98 . 23 GLU CA C 57.22 0.15 1 99 . 23 GLU CB C 29.46 0.15 1 100 . 23 GLU N N 116.23 0.15 1 101 . 24 VAL H H 6.99 0.04 1 102 . 24 VAL C C 177.38 0.15 1 103 . 24 VAL CA C 64.40 0.15 1 104 . 24 VAL CB C 31.01 0.15 1 105 . 24 VAL N N 117.35 0.15 1 106 . 25 LEU H H 8.44 0.04 1 107 . 25 LEU C C 177.27 0.15 1 108 . 25 LEU CA C 58.17 0.15 1 109 . 25 LEU CB C 38.54 0.15 1 110 . 25 LEU N N 118.21 0.15 1 111 . 26 PRO C C 178.85 0.15 1 112 . 26 PRO CA C 67.33 0.15 1 113 . 26 PRO CB C 29.46 0.15 1 114 . 27 GLY H H 7.97 0.04 1 115 . 27 GLY C C 174.97 0.15 1 116 . 27 GLY CA C 45.90 0.15 1 117 . 27 GLY N N 104.72 0.15 1 118 . 28 THR H H 7.68 0.04 1 119 . 28 THR C C 176.09 0.15 1 120 . 28 THR CA C 62.30 0.15 1 121 . 28 THR CB C 70.53 0.15 1 122 . 28 THR N N 109.23 0.15 1 123 . 29 GLY H H 7.34 0.04 1 124 . 29 GLY C C 173.75 0.15 1 125 . 29 GLY CA C 44.92 0.15 1 126 . 29 GLY N N 109.07 0.15 1 127 . 30 LEU H H 7.70 0.04 1 128 . 30 LEU C C 176.18 0.15 1 129 . 30 LEU CA C 54.09 0.15 1 130 . 30 LEU CB C 40.81 0.15 1 131 . 30 LEU N N 121.75 0.15 1 132 . 31 ASP H H 8.07 0.04 1 133 . 31 ASP C C 177.02 0.15 1 134 . 31 ASP CA C 53.33 0.15 1 135 . 31 ASP CB C 42.01 0.15 1 136 . 31 ASP N N 121.92 0.15 1 137 . 32 ALA H H 8.76 0.04 1 138 . 32 ALA C C 178.28 0.15 1 139 . 32 ALA CA C 55.28 0.15 1 140 . 32 ALA CB C 17.56 0.15 1 141 . 32 ALA N N 131.40 0.15 1 142 . 33 ALA H H 8.11 0.04 1 143 . 33 ALA C C 181.41 0.15 1 144 . 33 ALA CA C 55.01 0.15 1 145 . 33 ALA CB C 16.48 0.15 1 146 . 33 ALA N N 120.02 0.15 1 147 . 34 ALA H H 8.07 0.04 1 148 . 34 ALA C C 178.87 0.15 1 149 . 34 ALA CA C 54.25 0.15 1 150 . 34 ALA CB C 17.08 0.15 1 151 . 34 ALA N N 121.83 0.15 1 152 . 35 PHE H H 8.23 0.04 1 153 . 35 PHE C C 177.48 0.15 1 154 . 35 PHE CA C 60.78 0.15 1 155 . 35 PHE CB C 37.83 0.15 1 156 . 35 PHE N N 121.06 0.15 1 157 . 36 TRP H H 8.44 0.04 1 158 . 36 TRP C C 179.01 0.15 1 159 . 36 TRP CA C 60.02 0.15 1 160 . 36 TRP CB C 28.74 0.15 1 161 . 36 TRP N N 119.33 0.15 1 162 . 37 ARG H H 8.02 0.04 1 163 . 37 ARG C C 178.74 0.15 1 164 . 37 ARG CA C 59.15 0.15 1 165 . 37 ARG CB C 28.74 0.15 1 166 . 37 ARG N N 121.75 0.15 1 167 . 38 ASN H H 8.65 0.04 1 168 . 38 ASN C C 178.11 0.15 1 169 . 38 ASN CA C 55.39 0.15 1 170 . 38 ASN CB C 37.23 0.15 1 171 . 38 ASN N N 119.33 0.15 1 172 . 39 PHE H H 8.78 0.04 1 173 . 39 PHE C C 177.81 0.15 1 174 . 39 PHE CA C 57.35 0.15 1 175 . 39 PHE CB C 37.11 0.15 1 176 . 39 PHE N N 125.20 0.15 1 177 . 40 ASP H H 8.37 0.04 1 178 . 40 ASP C C 179.04 0.15 1 179 . 40 ASP CA C 57.62 0.15 1 180 . 40 ASP CB C 41.65 0.15 1 181 . 40 ASP N N 120.71 0.15 1 182 . 41 GLU H H 7.91 0.04 1 183 . 41 GLU C C 178.38 0.15 1 184 . 41 GLU CA C 59.47 0.15 1 185 . 41 GLU CB C 28.62 0.15 1 186 . 41 GLU N N 119.76 0.15 1 187 . 42 ILE H H 8.13 0.04 1 188 . 42 ILE C C 177.78 0.15 1 189 . 42 ILE CA C 66.19 0.15 1 190 . 42 ILE CB C 36.75 0.15 1 191 . 42 ILE N N 119.59 0.15 1 192 . 43 VAL H H 8.44 0.04 1 193 . 43 VAL C C 177.32 0.15 1 194 . 43 VAL CA C 67.28 0.15 1 195 . 43 VAL CB C 30.65 0.15 1 196 . 43 VAL N N 120.37 0.15 1 197 . 44 HIS H H 8.25 0.04 1 198 . 44 HIS C C 177.10 0.15 1 199 . 44 HIS CA C 61.57 0.15 1 200 . 44 HIS CB C 27.07 0.15 1 201 . 44 HIS N N 115.54 0.15 1 202 . 45 ASP H H 8.50 0.04 1 203 . 45 ASP C C 178.57 0.15 1 204 . 45 ASP CA C 55.99 0.15 1 205 . 45 ASP CB C 40.00 0.15 1 206 . 45 ASP N N 117.78 0.15 1 207 . 46 LEU H H 8.51 0.04 1 208 . 46 LEU C C 178.41 0.15 1 209 . 46 LEU CA C 56.26 0.15 1 210 . 46 LEU CB C 41.05 0.15 1 211 . 46 LEU N N 116.92 0.15 1 212 . 47 ALA H H 8.82 0.04 1 213 . 47 ALA C C 176.56 0.15 1 214 . 47 ALA CA C 57.08 0.15 1 215 . 47 ALA CB C 15.29 0.15 1 216 . 47 ALA N N 123.99 0.15 1 217 . 48 PRO C C 179.72 0.15 1 218 . 48 PRO CA C 65.97 0.15 1 219 . 48 PRO CB C 29.91 0.15 1 220 . 49 GLU H H 6.71 0.04 1 221 . 49 GLU C C 177.84 0.15 1 222 . 49 GLU CA C 58.34 0.15 1 223 . 49 GLU CB C 28.25 0.15 1 224 . 49 GLU N N 118.94 0.15 1 225 . 50 ASN H H 7.95 0.04 1 226 . 50 ASN C C 179.37 0.15 1 227 . 50 ASN CA C 54.73 0.15 1 228 . 50 ASN CB C 39.77 0.15 1 229 . 50 ASN N N 120.30 0.15 1 230 . 51 ARG H H 8.32 0.04 1 231 . 51 ARG C C 179.37 0.15 1 232 . 51 ARG CA C 60.12 0.15 1 233 . 51 ARG CB C 29.08 0.15 1 234 . 51 ARG N N 119.96 0.15 1 235 . 52 GLN H H 7.84 0.04 1 236 . 52 GLN C C 179.10 0.15 1 237 . 52 GLN CA C 58.35 0.15 1 238 . 52 GLN CB C 26.82 0.15 1 239 . 52 GLN N N 122.18 0.15 1 240 . 53 LEU H H 7.95 0.04 1 241 . 53 LEU C C 180.58 0.15 1 242 . 53 LEU CA C 57.48 0.15 1 243 . 53 LEU CB C 39.65 0.15 1 244 . 53 LEU N N 120.30 0.15 1 245 . 54 LEU H H 7.31 0.04 1 246 . 54 LEU C C 179.23 0.15 1 247 . 54 LEU CA C 57.37 0.15 1 248 . 54 LEU CB C 36.33 0.15 1 249 . 54 LEU N N 119.88 0.15 1 250 . 55 ALA H H 7.72 0.04 1 251 . 55 ALA C C 181.08 0.15 1 252 . 55 ALA CA C 54.31 0.15 1 253 . 55 ALA CB C 16.60 0.15 1 254 . 55 ALA N N 123.69 0.15 1 255 . 56 GLU H H 8.01 0.04 1 256 . 56 GLU C C 178.71 0.15 1 257 . 56 GLU CA C 57.71 0.15 1 258 . 56 GLU CB C 28.02 0.15 1 259 . 56 GLU N N 121.49 0.15 1 260 . 57 ARG H H 7.47 0.04 1 261 . 57 ARG C C 179.88 0.15 1 262 . 57 ARG CA C 59.31 0.15 1 263 . 57 ARG CB C 29.46 0.15 1 264 . 57 ARG N N 117.44 0.15 1 265 . 58 ASP H H 7.20 0.04 1 266 . 58 ASP C C 178.74 0.15 1 267 . 58 ASP CA C 56.92 0.15 1 268 . 58 ASP CB C 38.90 0.15 1 269 . 58 ASP N N 120.45 0.15 1 270 . 59 ARG H H 8.03 0.04 1 271 . 59 ARG C C 179.56 0.15 1 272 . 59 ARG CA C 58.98 0.15 1 273 . 59 ARG CB C 29.22 0.15 1 274 . 59 ARG N N 123.73 0.15 1 275 . 60 ILE H H 8.31 0.04 1 276 . 60 ILE C C 177.48 0.15 1 277 . 60 ILE CA C 64.69 0.15 1 278 . 60 ILE CB C 36.75 0.15 1 279 . 60 ILE N N 121.49 0.15 1 280 . 61 GLN H H 8.37 0.04 1 281 . 61 GLN C C 178.03 0.15 1 282 . 61 GLN CA C 57.46 0.15 1 283 . 61 GLN CB C 27.78 0.15 1 284 . 61 GLN N N 119.59 0.15 1 285 . 62 ALA H H 7.95 0.04 1 286 . 62 ALA C C 180.56 0.15 1 287 . 62 ALA CA C 54.80 0.15 1 288 . 62 ALA CB C 16.48 0.15 1 289 . 62 ALA N N 121.32 0.15 1 290 . 63 ALA H H 7.58 0.04 1 291 . 63 ALA C C 181.14 0.15 1 292 . 63 ALA CA C 54.41 0.15 1 293 . 63 ALA CB C 18.52 0.15 1 294 . 63 ALA N N 121.32 0.15 1 295 . 64 LEU H H 8.61 0.04 1 296 . 64 LEU C C 178.63 0.15 1 297 . 64 LEU CA C 58.66 0.15 1 298 . 64 LEU CB C 41.05 0.15 1 299 . 64 LEU N N 123.04 0.15 1 300 . 65 ASP H H 9.10 0.04 1 301 . 65 ASP C C 178.06 0.15 1 302 . 65 ASP CA C 56.43 0.15 1 303 . 65 ASP CB C 39.62 0.15 1 304 . 65 ASP N N 119.50 0.15 1 305 . 66 GLU H H 7.49 0.04 1 306 . 66 GLU C C 178.74 0.15 1 307 . 66 GLU CA C 58.60 0.15 1 308 . 66 GLU CB C 28.38 0.15 1 309 . 66 GLU N N 117.87 0.15 1 310 . 67 TRP H H 8.22 0.04 1 311 . 67 TRP C C 179.86 0.15 1 312 . 67 TRP CA C 63.01 0.15 1 313 . 67 TRP CB C 29.46 0.15 1 314 . 67 TRP N N 122.87 0.15 1 315 . 68 HIS H H 9.05 0.04 1 316 . 68 HIS C C 175.60 0.15 1 317 . 68 HIS CA C 60.51 0.15 1 318 . 68 HIS CB C 27.30 0.15 1 319 . 68 HIS N N 117.69 0.15 1 320 . 69 ARG H H 8.14 0.04 1 321 . 69 ARG C C 179.12 0.15 1 322 . 69 ARG CA C 58.44 0.15 1 323 . 69 ARG CB C 29.93 0.15 1 324 . 69 ARG N N 116.66 0.15 1 325 . 70 SER H H 7.47 0.04 1 326 . 70 SER C C 173.05 0.15 1 327 . 70 SER CA C 59.83 0.15 1 328 . 70 SER CB C 62.58 0.15 1 329 . 70 SER N N 113.38 0.15 1 330 . 71 ASN H H 7.20 0.04 1 331 . 71 ASN C C 180.67 0.15 1 332 . 71 ASN CA C 50.31 0.15 1 333 . 71 ASN CB C 37.95 0.15 1 334 . 71 ASN N N 119.59 0.15 1 335 . 72 PRO C C 177.11 0.15 1 336 . 72 PRO CA C 63.68 0.15 1 337 . 72 PRO CB C 32.09 0.15 1 338 . 73 GLY H H 8.64 0.04 1 339 . 73 GLY C C 171.06 0.15 1 340 . 73 GLY CA C 43.65 0.15 1 341 . 73 GLY N N 107.01 0.15 1 342 . 74 PRO C C 176.68 0.15 1 343 . 74 PRO CA C 62.49 0.15 1 344 . 74 PRO CB C 30.98 0.15 1 345 . 75 VAL H H 8.59 0.04 1 346 . 75 VAL C C 176.14 0.15 1 347 . 75 VAL CA C 62.60 0.15 1 348 . 75 VAL CB C 29.91 0.15 1 349 . 75 VAL N N 124.06 0.15 1 350 . 76 LYS H H 8.32 0.04 1 351 . 76 LYS C C 176.38 0.15 1 352 . 76 LYS CA C 56.94 0.15 1 353 . 76 LYS CB C 31.69 0.15 1 354 . 76 LYS N N 130.38 0.15 1 355 . 77 ASP H H 7.75 0.04 1 356 . 77 ASP C C 177.30 0.15 1 357 . 77 ASP CA C 51.50 0.15 1 358 . 77 ASP CB C 39.53 0.15 1 359 . 77 ASP N N 119.62 0.15 1 360 . 78 LYS C C 178.10 0.15 1 361 . 78 LYS CA C 58.56 0.15 1 362 . 78 LYS CB C 30.39 0.15 1 363 . 79 ALA H H 8.23 0.04 1 364 . 79 ALA C C 180.60 0.15 1 365 . 79 ALA CA C 55.00 0.15 1 366 . 79 ALA CB C 16.78 0.15 1 367 . 79 ALA N N 122.83 0.15 1 368 . 80 ALA H H 7.87 0.04 1 369 . 80 ALA C C 181.14 0.15 1 370 . 80 ALA CA C 53.98 0.15 1 371 . 80 ALA CB C 17.25 0.15 1 372 . 80 ALA N N 122.78 0.15 1 373 . 81 TYR H H 7.78 0.04 1 374 . 81 TYR C C 177.00 0.15 1 375 . 81 TYR CA C 58.45 0.15 1 376 . 81 TYR CB C 38.47 0.15 1 377 . 81 TYR N N 120.73 0.15 1 378 . 82 LYS H H 8.57 0.04 1 379 . 82 LYS C C 178.27 0.15 1 380 . 82 LYS CA C 60.50 0.15 1 381 . 82 LYS CB C 30.98 0.15 1 382 . 82 LYS N N 117.78 0.15 1 383 . 83 SER H H 8.05 0.04 1 384 . 83 SER C C 176.54 0.15 1 385 . 83 SER CA C 61.70 0.15 1 386 . 83 SER N N 114.09 0.15 1 387 . 84 PHE H H 7.68 0.04 1 388 . 84 PHE C C 176.54 0.15 1 389 . 84 PHE CA C 59.80 0.15 1 390 . 84 PHE CB C 36.92 0.15 1 391 . 84 PHE N N 123.89 0.15 1 392 . 85 LEU H H 8.10 0.04 1 393 . 85 LEU C C 180.77 0.15 1 394 . 85 LEU CA C 56.51 0.15 1 395 . 85 LEU CB C 40.13 0.15 1 396 . 85 LEU N N 118.25 0.15 1 397 . 86 ARG H H 8.48 0.04 1 398 . 86 ARG C C 180.10 0.15 1 399 . 86 ARG CA C 58.77 0.15 1 400 . 86 ARG CB C 28.74 0.15 1 401 . 86 ARG N N 122.61 0.15 1 402 . 87 GLU H H 8.11 0.04 1 403 . 87 GLU C C 178.28 0.15 1 404 . 87 GLU CA C 58.71 0.15 1 405 . 87 GLU CB C 28.14 0.15 1 406 . 87 GLU N N 123.99 0.15 1 407 . 88 LEU H H 7.65 0.04 1 408 . 88 LEU C C 175.90 0.15 1 409 . 88 LEU CA C 54.41 0.15 1 410 . 88 LEU CB C 42.25 0.15 1 411 . 88 LEU N N 117.87 0.15 1 412 . 89 GLY H H 7.38 0.04 1 413 . 89 GLY C C 173.42 0.15 1 414 . 89 GLY CA C 43.56 0.15 1 415 . 89 GLY N N 103.75 0.15 1 416 . 90 TYR H H 7.92 0.04 1 417 . 90 TYR C C 175.68 0.15 1 418 . 90 TYR CA C 59.15 0.15 1 419 . 90 TYR CB C 40.22 0.15 1 420 . 90 TYR N N 120.89 0.15 1 421 . 91 LEU H H 6.68 0.04 1 422 . 91 LEU C C 175.17 0.15 1 423 . 91 LEU CA C 52.67 0.15 1 424 . 91 LEU CB C 42.85 0.15 1 425 . 91 LEU N N 117.44 0.15 1 426 . 92 VAL H H 8.23 0.04 1 427 . 92 VAL C C 174.08 0.15 1 428 . 92 VAL CA C 57.62 0.15 1 429 . 92 VAL CB C 30.65 0.15 1 430 . 92 VAL N N 119.59 0.15 1 431 . 93 PRO C C 176.79 0.15 1 432 . 93 PRO CA C 62.81 0.15 1 433 . 93 PRO CB C 30.53 0.15 1 434 . 94 GLN H H 8.71 0.04 1 435 . 94 GLN C C 173.88 0.15 1 436 . 94 GLN CA C 51.62 0.15 1 437 . 94 GLN CB C 27.34 0.15 1 438 . 94 GLN N N 123.25 0.15 1 439 . 95 PRO C C 176.09 0.15 1 440 . 95 PRO CA C 61.47 0.15 1 441 . 95 PRO CB C 31.34 0.15 1 442 . 96 GLU H H 8.45 0.04 1 443 . 96 GLU C C 176.25 0.15 1 444 . 96 GLU CA C 57.43 0.15 1 445 . 96 GLU CB C 29.08 0.15 1 446 . 96 GLU N N 120.22 0.15 1 447 . 97 ARG H H 7.48 0.04 1 448 . 97 ARG C C 174.42 0.15 1 449 . 97 ARG CA C 54.84 0.15 1 450 . 97 ARG CB C 31.34 0.15 1 451 . 97 ARG N N 115.95 0.15 1 452 . 98 VAL H H 8.23 0.04 1 453 . 98 VAL C C 173.26 0.15 1 454 . 98 VAL CA C 61.25 0.15 1 455 . 98 VAL CB C 34.66 0.15 1 456 . 98 VAL N N 124.23 0.15 1 457 . 99 THR H H 8.18 0.04 1 458 . 99 THR C C 173.59 0.15 1 459 . 99 THR CA C 59.80 0.15 1 460 . 99 THR CB C 69.78 0.15 1 461 . 99 THR N N 120.22 0.15 1 462 . 100 VAL H H 7.98 0.04 1 463 . 100 VAL C C 175.33 0.15 1 464 . 100 VAL CA C 62.28 0.15 1 465 . 100 VAL CB C 31.57 0.15 1 466 . 100 VAL N N 126.28 0.15 1 467 . 101 GLU H H 8.00 0.04 1 468 . 101 GLU C C 174.74 0.15 1 469 . 101 GLU CA C 54.68 0.15 1 470 . 101 GLU CB C 30.50 0.15 1 471 . 101 GLU N N 128.59 0.15 1 472 . 102 THR H H 7.44 0.04 1 473 . 102 THR C C 174.45 0.15 1 474 . 102 THR CA C 58.34 0.15 1 475 . 102 THR CB C 70.97 0.15 1 476 . 102 THR N N 113.56 0.15 1 477 . 103 THR H H 8.05 0.04 1 478 . 103 THR C C 174.10 0.15 1 479 . 103 THR CA C 59.21 0.15 1 480 . 103 THR CB C 70.97 0.15 1 481 . 103 THR N N 111.93 0.15 1 482 . 104 GLY C C 176.87 0.15 1 483 . 104 GLY CA C 46.14 0.15 1 484 . 105 ILE H H 8.35 0.04 1 485 . 105 ILE C C 175.87 0.15 1 486 . 105 ILE CA C 58.72 0.15 1 487 . 105 ILE CB C 34.31 0.15 1 488 . 105 ILE N N 126.10 0.15 1 489 . 106 ASP H H 7.65 0.04 1 490 . 106 ASP C C 177.32 0.15 1 491 . 106 ASP CA C 55.49 0.15 1 492 . 106 ASP CB C 42.62 0.15 1 493 . 106 ASP N N 127.09 0.15 1 494 . 107 SER H H 9.34 0.04 1 495 . 107 SER C C 176.44 0.15 1 496 . 107 SER CA C 60.28 0.15 1 497 . 107 SER CB C 62.11 0.15 1 498 . 107 SER N N 118.79 0.15 1 499 . 108 GLU H H 9.97 0.04 1 500 . 108 GLU C C 176.19 0.15 1 501 . 108 GLU CA C 60.66 0.15 1 502 . 108 GLU CB C 28.36 0.15 1 503 . 108 GLU N N 125.23 0.15 1 504 . 109 ILE H H 7.19 0.04 1 505 . 109 ILE C C 177.16 0.15 1 506 . 109 ILE CA C 61.63 0.15 1 507 . 109 ILE CB C 37.51 0.15 1 508 . 109 ILE N N 112.77 0.15 1 509 . 110 THR H H 7.55 0.04 1 510 . 110 THR C C 177.57 0.15 1 511 . 110 THR CA C 63.15 0.15 1 512 . 110 THR CB C 68.73 0.15 1 513 . 110 THR N N 108.47 0.15 1 514 . 111 SER H H 8.41 0.04 1 515 . 111 SER C C 173.23 0.15 1 516 . 111 SER CA C 58.14 0.15 1 517 . 111 SER CB C 64.25 0.15 1 518 . 111 SER N N 114.42 0.15 1 519 . 112 GLN H H 7.00 0.04 1 520 . 112 GLN C C 172.09 0.15 1 521 . 112 GLN CA C 54.03 0.15 1 522 . 112 GLN CB C 33.76 0.15 1 523 . 112 GLN N N 118.56 0.15 1 524 . 113 ALA H H 6.66 0.04 1 525 . 113 ALA C C 175.30 0.15 1 526 . 113 ALA CA C 51.75 0.15 1 527 . 113 ALA CB C 19.95 0.15 1 528 . 113 ALA N N 119.76 0.15 1 529 . 114 GLY H H 7.65 0.04 1 530 . 114 GLY C C 168.57 0.15 1 531 . 114 GLY CA C 43.84 0.15 1 532 . 114 GLY N N 108.04 0.15 1 533 . 115 PRO C C 174.10 0.15 1 534 . 115 PRO CA C 62.58 0.15 1 535 . 115 PRO CB C 33.35 0.15 1 536 . 116 GLN H H 8.01 0.04 1 537 . 116 GLN C C 174.26 0.15 1 538 . 116 GLN CA C 53.57 0.15 1 539 . 116 GLN CB C 33.84 0.15 1 540 . 116 GLN N N 123.25 0.15 1 541 . 117 LEU H H 7.39 0.04 1 542 . 117 LEU C C 175.66 0.15 1 543 . 117 LEU CA C 53.07 0.15 1 544 . 117 LEU CB C 43.28 0.15 1 545 . 117 LEU N N 126.35 0.15 1 546 . 118 VAL H H 7.45 0.04 1 547 . 118 VAL C C 174.65 0.15 1 548 . 118 VAL CA C 61.32 0.15 1 549 . 118 VAL CB C 32.13 0.15 1 550 . 118 VAL N N 120.95 0.15 1 551 . 119 VAL H H 8.37 0.04 1 552 . 119 VAL C C 171.27 0.15 1 553 . 119 VAL CA C 55.47 0.15 1 554 . 119 VAL CB C 34.02 0.15 1 555 . 119 VAL N N 119.89 0.15 1 556 . 120 PRO C C 177.97 0.15 1 557 . 120 PRO CA C 61.36 0.15 1 558 . 120 PRO CB C 31.81 0.15 1 559 . 121 ALA H H 8.57 0.04 1 560 . 121 ALA C C 175.36 0.15 1 561 . 121 ALA CA C 52.63 0.15 1 562 . 121 ALA CB C 16.42 0.15 1 563 . 121 ALA N N 125.50 0.15 1 564 . 122 MET H H 6.05 0.04 1 565 . 122 MET C C 172.89 0.15 1 566 . 122 MET CA C 55.49 0.15 1 567 . 122 MET CB C 33.83 0.15 1 568 . 122 MET N N 110.99 0.15 1 569 . 123 ASN H H 7.01 0.04 1 570 . 123 ASN C C 173.40 0.15 1 571 . 123 ASN CA C 51.23 0.15 1 572 . 123 ASN CB C 38.94 0.15 1 573 . 123 ASN N N 117.09 0.15 1 574 . 125 ARG C C 178.43 0.15 1 575 . 125 ARG CA C 59.26 0.15 1 576 . 125 ARG CB C 28.48 0.15 1 577 . 126 TYR H H 7.86 0.04 1 578 . 126 TYR C C 179.34 0.15 1 579 . 126 TYR CA C 58.02 0.15 1 580 . 126 TYR CB C 35.61 0.15 1 581 . 126 TYR N N 117.34 0.15 1 582 . 127 ALA H H 8.33 0.04 1 583 . 127 ALA C C 178.10 0.15 1 584 . 127 ALA CA C 55.16 0.15 1 585 . 127 ALA CB C 16.54 0.15 1 586 . 127 ALA N N 122.53 0.15 1 587 . 128 LEU H H 8.35 0.04 1 588 . 128 LEU C C 178.05 0.15 1 589 . 128 LEU CA C 57.64 0.15 1 590 . 128 LEU CB C 41.08 0.15 1 591 . 128 LEU N N 119.19 0.15 1 592 . 129 ASN H H 7.90 0.04 1 593 . 129 ASN C C 177.86 0.15 1 594 . 129 ASN CA C 54.68 0.15 1 595 . 129 ASN CB C 36.68 0.15 1 596 . 129 ASN N N 115.52 0.15 1 597 . 130 ALA H H 7.92 0.04 1 598 . 130 ALA C C 178.72 0.15 1 599 . 130 ALA CA C 53.76 0.15 1 600 . 130 ALA CB C 19.51 0.15 1 601 . 130 ALA N N 121.86 0.15 1 602 . 131 ALA H H 8.24 0.04 1 603 . 131 ALA C C 179.66 0.15 1 604 . 131 ALA CA C 54.30 0.15 1 605 . 131 ALA CB C 16.89 0.15 1 606 . 131 ALA N N 120.22 0.15 1 607 . 132 ASN H H 7.74 0.04 1 608 . 132 ASN C C 176.38 0.15 1 609 . 132 ASN CA C 52.36 0.15 1 610 . 132 ASN CB C 37.63 0.15 1 611 . 132 ASN N N 113.56 0.15 1 612 . 133 ALA H H 7.59 0.04 1 613 . 133 ALA C C 176.25 0.15 1 614 . 133 ALA CA C 52.15 0.15 1 615 . 133 ALA CB C 16.89 0.15 1 616 . 133 ALA N N 122.87 0.15 1 617 . 134 ARG H H 6.54 0.04 1 618 . 134 ARG C C 172.65 0.15 1 619 . 134 ARG CA C 56.24 0.15 1 620 . 134 ARG CB C 30.39 0.15 1 621 . 134 ARG N N 120.90 0.15 1 622 . 135 TRP H H 6.96 0.04 1 623 . 135 TRP C C 175.60 0.15 1 624 . 135 TRP CA C 53.92 0.15 1 625 . 135 TRP CB C 30.27 0.15 1 626 . 135 TRP N N 115.44 0.15 1 627 . 136 GLY H H 8.79 0.04 1 628 . 136 GLY C C 172.00 0.15 1 629 . 136 GLY CA C 43.98 0.15 1 630 . 136 GLY N N 110.31 0.15 1 631 . 137 SER H H 8.61 0.04 1 632 . 137 SER C C 177.51 0.15 1 633 . 137 SER CA C 57.68 0.15 1 634 . 137 SER CB C 60.90 0.15 1 635 . 137 SER N N 115.58 0.15 1 636 . 138 LEU H H 9.81 0.04 1 637 . 138 LEU C C 178.11 0.15 1 638 . 138 LEU CA C 55.83 0.15 1 639 . 138 LEU CB C 41.29 0.15 1 640 . 138 LEU N N 135.61 0.15 1 641 . 139 TYR H H 7.16 0.04 1 642 . 139 TYR C C 178.11 0.15 1 643 . 139 TYR CA C 57.19 0.15 1 644 . 139 TYR CB C 34.12 0.15 1 645 . 139 TYR N N 118.30 0.15 1 646 . 140 ASP H H 8.43 0.04 1 647 . 140 ASP C C 179.20 0.15 1 648 . 140 ASP CA C 56.92 0.15 1 649 . 140 ASP CB C 40.10 0.15 1 650 . 140 ASP N N 120.63 0.15 1 651 . 141 ALA H H 7.52 0.04 1 652 . 141 ALA C C 179.26 0.15 1 653 . 141 ALA CA C 54.31 0.15 1 654 . 141 ALA CB C 17.80 0.15 1 655 . 141 ALA N N 120.89 0.15 1 656 . 142 LEU H H 7.95 0.04 1 657 . 142 LEU C C 179.99 0.15 1 658 . 142 LEU CA C 56.05 0.15 1 659 . 142 LEU CB C 42.49 0.15 1 660 . 142 LEU N N 116.14 0.15 1 661 . 143 TYR H H 8.63 0.04 1 662 . 143 TYR C C 178.74 0.15 1 663 . 143 TYR CA C 61.92 0.15 1 664 . 143 TYR CB C 37.71 0.15 1 665 . 143 TYR N N 120.37 0.15 1 666 . 144 GLY H H 7.70 0.04 1 667 . 144 GLY C C 172.96 0.15 1 668 . 144 GLY CA C 45.12 0.15 1 669 . 144 GLY N N 104.59 0.15 1 670 . 145 SER H H 7.23 0.04 1 671 . 145 SER C C 172.48 0.15 1 672 . 145 SER CA C 57.22 0.15 1 673 . 145 SER CB C 65.63 0.15 1 674 . 145 SER N N 116.14 0.15 1 675 . 146 ASP H H 8.51 0.04 1 676 . 146 ASP C C 176.64 0.15 1 677 . 146 ASP CA C 52.56 0.15 1 678 . 146 ASP CB C 38.54 0.15 1 679 . 146 ASP N N 116.75 0.15 1 680 . 147 ILE H H 7.33 0.04 1 681 . 147 ILE C C 176.07 0.15 1 682 . 147 ILE CA C 64.26 0.15 1 683 . 147 ILE CB C 36.28 0.15 1 684 . 147 ILE N N 119.85 0.15 1 685 . 148 ILE H H 6.35 0.04 1 686 . 148 ILE C C 174.49 0.15 1 687 . 148 ILE CA C 55.50 0.15 1 688 . 148 ILE CB C 36.27 0.15 1 689 . 148 ILE N N 118.56 0.15 1 690 . 149 PRO C C 176.61 0.15 1 691 . 149 PRO CA C 63.09 0.15 1 692 . 149 PRO CB C 31.25 0.15 1 693 . 150 GLN H H 8.57 0.04 1 694 . 150 GLN C C 175.41 0.15 1 695 . 150 GLN CA C 54.69 0.15 1 696 . 150 GLN CB C 28.26 0.15 1 697 . 150 GLN N N 123.30 0.15 1 698 . 151 GLU H H 8.40 0.04 1 699 . 151 GLU C C 176.26 0.15 1 700 . 151 GLU CA C 55.56 0.15 1 701 . 151 GLU CB C 29.46 0.15 1 702 . 151 GLU N N 125.63 0.15 1 703 . 152 GLY H H 8.19 0.04 1 704 . 152 GLY C C 173.34 0.15 1 705 . 152 GLY CA C 44.33 0.15 1 706 . 152 GLY N N 110.97 0.15 1 707 . 153 ALA H H 8.04 0.04 1 708 . 153 ALA C C 177.54 0.15 1 709 . 153 ALA CA C 51.53 0.15 1 710 . 153 ALA CB C 18.28 0.15 1 711 . 153 ALA N N 123.82 0.15 1 712 . 154 MET H H 8.32 0.04 1 713 . 154 MET C C 176.31 0.15 1 714 . 154 MET CA C 55.04 0.15 1 715 . 154 MET CB C 31.85 0.15 1 716 . 154 MET N N 121.23 0.15 1 717 . 155 VAL H H 8.24 0.04 1 718 . 155 VAL C C 175.90 0.15 1 719 . 155 VAL CA C 61.02 0.15 1 720 . 155 VAL CB C 31.97 0.15 1 721 . 155 VAL N N 122.31 0.15 1 722 . 156 SER H H 8.23 0.04 1 723 . 156 SER C C 177.27 0.15 1 724 . 156 SER CA C 57.95 0.15 1 725 . 156 SER CB C 62.81 0.15 1 726 . 156 SER N N 118.81 0.15 1 727 . 158 TYR C C 173.48 0.15 1 728 . 158 TYR CA C 58.10 0.15 1 729 . 158 TYR CB C 37.93 0.15 1 730 . 159 ASP H H 7.95 0.04 1 731 . 159 ASP C C 174.34 0.15 1 732 . 159 ASP CA C 49.27 0.15 1 733 . 159 ASP CB C 41.71 0.15 1 734 . 159 ASP N N 129.56 0.15 1 735 . 160 PRO C C 178.72 0.15 1 736 . 160 PRO CA C 63.79 0.15 1 737 . 160 PRO CB C 31.10 0.15 1 738 . 161 GLN H H 8.00 0.04 1 739 . 161 GLN C C 178.40 0.15 1 740 . 161 GLN CA C 58.51 0.15 1 741 . 161 GLN CB C 27.18 0.15 1 742 . 161 GLN N N 119.02 0.15 1 743 . 162 ARG H H 7.24 0.04 1 744 . 162 ARG C C 179.37 0.15 1 745 . 162 ARG CA C 58.45 0.15 1 746 . 162 ARG CB C 27.53 0.15 1 747 . 162 ARG N N 122.70 0.15 1 748 . 163 GLY H H 8.80 0.04 1 749 . 163 GLY C C 175.47 0.15 1 750 . 163 GLY CA C 47.00 0.15 1 751 . 163 GLY N N 107.32 0.15 1 752 . 164 GLU H H 8.12 0.04 1 753 . 164 GLU C C 179.34 0.15 1 754 . 164 GLU CA C 59.15 0.15 1 755 . 164 GLU CB C 28.36 0.15 1 756 . 164 GLU N N 120.39 0.15 1 757 . 165 GLN H H 7.32 0.04 1 758 . 165 GLN C C 179.50 0.15 1 759 . 165 GLN CA C 58.18 0.15 1 760 . 165 GLN CB C 28.84 0.15 1 761 . 165 GLN N N 118.34 0.15 1 762 . 166 VAL H H 7.90 0.04 1 763 . 166 VAL C C 176.54 0.15 1 764 . 166 VAL CA C 66.19 0.15 1 765 . 166 VAL CB C 30.39 0.15 1 766 . 166 VAL N N 123.29 0.15 1 767 . 167 ILE H H 8.34 0.04 1 768 . 167 ILE C C 179.88 0.15 1 769 . 167 ILE CA C 65.24 0.15 1 770 . 167 ILE CB C 38.11 0.15 1 771 . 167 ILE N N 120.27 0.15 1 772 . 168 ALA H H 8.06 0.04 1 773 . 168 ALA C C 179.72 0.15 1 774 . 168 ALA CA C 54.63 0.15 1 775 . 168 ALA CB C 17.37 0.15 1 776 . 168 ALA N N 122.35 0.15 1 777 . 169 TRP H H 8.01 0.04 1 778 . 169 TRP C C 180.44 0.15 1 779 . 169 TRP CA C 61.47 0.15 1 780 . 169 TRP CB C 30.15 0.15 1 781 . 169 TRP N N 122.44 0.15 1 782 . 170 VAL H H 8.36 0.04 1 783 . 170 VAL C C 177.32 0.15 1 784 . 170 VAL CA C 66.81 0.15 1 785 . 170 VAL CB C 30.39 0.15 1 786 . 170 VAL N N 119.02 0.15 1 787 . 171 ARG H H 8.23 0.04 1 788 . 171 ARG C C 177.65 0.15 1 789 . 171 ARG CA C 58.72 0.15 1 790 . 171 ARG CB C 30.62 0.15 1 791 . 171 ARG N N 119.88 0.15 1 792 . 172 ARG H H 7.39 0.04 1 793 . 172 ARG C C 178.16 0.15 1 794 . 172 ARG CA C 58.88 0.15 1 795 . 172 ARG CB C 28.25 0.15 1 796 . 172 ARG N N 117.48 0.15 1 797 . 173 PHE H H 7.51 0.04 1 798 . 173 PHE C C 177.65 0.15 1 799 . 173 PHE CA C 60.34 0.15 1 800 . 173 PHE CB C 37.51 0.15 1 801 . 173 PHE N N 121.73 0.15 1 802 . 174 LEU H H 8.39 0.04 1 803 . 174 LEU C C 178.10 0.15 1 804 . 174 LEU CA C 57.48 0.15 1 805 . 174 LEU CB C 39.30 0.15 1 806 . 174 LEU N N 122.27 0.15 1 807 . 175 ASP H H 7.78 0.04 1 808 . 175 ASP C C 177.84 0.15 1 809 . 175 ASP CA C 57.16 0.15 1 810 . 175 ASP CB C 39.65 0.15 1 811 . 175 ASP N N 118.34 0.15 1 812 . 176 GLU H H 7.44 0.04 1 813 . 176 GLU C C 178.56 0.15 1 814 . 176 GLU CA C 57.70 0.15 1 815 . 176 GLU CB C 29.43 0.15 1 816 . 176 GLU N N 116.46 0.15 1 817 . 177 SER H H 7.80 0.04 1 818 . 177 SER C C 173.67 0.15 1 819 . 177 SER CA C 60.39 0.15 1 820 . 177 SER CB C 63.77 0.15 1 821 . 177 SER N N 113.73 0.15 1 822 . 178 LEU H H 8.40 0.04 1 823 . 178 LEU C C 172.81 0.15 1 824 . 178 LEU CA C 52.79 0.15 1 825 . 178 LEU CB C 40.96 0.15 1 826 . 178 LEU N N 123.64 0.15 1 827 . 179 PRO C C 178.32 0.15 1 828 . 179 PRO CA C 63.40 0.15 1 829 . 179 PRO CB C 30.99 0.15 1 830 . 180 LEU H H 8.57 0.04 1 831 . 180 LEU C C 178.13 0.15 1 832 . 180 LEU CA C 52.93 0.15 1 833 . 180 LEU CB C 40.25 0.15 1 834 . 180 LEU N N 119.88 0.15 1 835 . 181 GLU H H 8.95 0.04 1 836 . 181 GLU C C 176.28 0.15 1 837 . 181 GLU CA C 58.75 0.15 1 838 . 181 GLU CB C 28.43 0.15 1 839 . 181 GLU N N 122.69 0.15 1 840 . 182 ASN H H 7.33 0.04 1 841 . 182 ASN C C 172.54 0.15 1 842 . 182 ASN CA C 52.43 0.15 1 843 . 182 ASN CB C 40.49 0.15 1 844 . 182 ASN N N 115.05 0.15 1 845 . 183 GLY H H 7.70 0.04 1 846 . 183 GLY C C 172.00 0.15 1 847 . 183 GLY CA C 43.77 0.15 1 848 . 183 GLY N N 106.04 0.15 1 849 . 184 SER H H 7.96 0.04 1 850 . 184 SER C C 176.75 0.15 1 851 . 184 SER CA C 53.92 0.15 1 852 . 184 SER CB C 63.66 0.15 1 853 . 184 SER N N 112.96 0.15 1 854 . 185 TYR H H 10.85 0.04 1 855 . 185 TYR C C 179.53 0.15 1 856 . 185 TYR CA C 62.28 0.15 1 857 . 185 TYR CB C 37.99 0.15 1 858 . 185 TYR N N 129.62 0.15 1 859 . 186 GLN H H 9.14 0.04 1 860 . 186 GLN C C 177.00 0.15 1 861 . 186 GLN CA C 58.45 0.15 1 862 . 186 GLN CB C 27.89 0.15 1 863 . 186 GLN N N 120.47 0.15 1 864 . 187 ASP H H 7.97 0.04 1 865 . 187 ASP C C 174.69 0.15 1 866 . 187 ASP CA C 53.49 0.15 1 867 . 187 ASP CB C 41.91 0.15 1 868 . 187 ASP N N 117.91 0.15 1 869 . 188 VAL H H 6.76 0.04 1 870 . 188 VAL C C 175.82 0.15 1 871 . 188 VAL CA C 63.19 0.15 1 872 . 188 VAL CB C 31.57 0.15 1 873 . 188 VAL N N 120.56 0.15 1 874 . 189 VAL H H 8.70 0.04 1 875 . 189 VAL C C 175.15 0.15 1 876 . 189 VAL CA C 60.34 0.15 1 877 . 189 VAL CB C 32.88 0.15 1 878 . 189 VAL N N 116.29 0.15 1 879 . 190 ALA H H 7.23 0.04 1 880 . 190 ALA C C 173.78 0.15 1 881 . 190 ALA CA C 51.91 0.15 1 882 . 190 ALA CB C 21.03 0.15 1 883 . 190 ALA N N 120.93 0.15 1 884 . 191 PHE H H 8.71 0.04 1 885 . 191 PHE C C 174.38 0.15 1 886 . 191 PHE CA C 55.94 0.15 1 887 . 191 PHE CB C 42.37 0.15 1 888 . 191 PHE N N 117.78 0.15 1 889 . 192 LYS H H 8.74 0.04 1 890 . 192 LYS C C 173.07 0.15 1 891 . 192 LYS CA C 55.01 0.15 1 892 . 192 LYS CB C 35.20 0.15 1 893 . 192 LYS N N 117.69 0.15 1 894 . 193 VAL H H 8.44 0.04 1 895 . 193 VAL C C 175.96 0.15 1 896 . 193 VAL CA C 61.10 0.15 1 897 . 193 VAL CB C 30.65 0.15 1 898 . 193 VAL N N 123.04 0.15 1 899 . 194 VAL H H 8.69 0.04 1 900 . 194 VAL C C 175.71 0.15 1 901 . 194 VAL CA C 60.62 0.15 1 902 . 194 VAL CB C 34.00 0.15 1 903 . 194 VAL N N 128.73 0.15 1 904 . 195 ASP H H 9.27 0.04 1 905 . 195 ASP C C 174.95 0.15 1 906 . 195 ASP CA C 55.18 0.15 1 907 . 195 ASP CB C 38.54 0.15 1 908 . 195 ASP N N 130.20 0.15 1 909 . 196 LYS H H 8.59 0.04 1 910 . 196 LYS C C 174.46 0.15 1 911 . 196 LYS CA C 57.30 0.15 1 912 . 196 LYS CB C 29.22 0.15 1 913 . 196 LYS N N 108.17 0.15 1 914 . 197 GLN H H 7.75 0.04 1 915 . 197 GLN C C 173.67 0.15 1 916 . 197 GLN CA C 53.11 0.15 1 917 . 197 GLN CB C 31.37 0.15 1 918 . 197 GLN N N 117.00 0.15 1 919 . 198 LEU H H 7.68 0.04 1 920 . 198 LEU C C 175.17 0.15 1 921 . 198 LEU CA C 53.71 0.15 1 922 . 198 LEU CB C 40.10 0.15 1 923 . 198 LEU N N 123.47 0.15 1 924 . 199 ARG H H 9.27 0.04 1 925 . 199 ARG C C 174.62 0.15 1 926 . 199 ARG CA C 53.00 0.15 1 927 . 199 ARG CB C 29.70 0.15 1 928 . 199 ARG N N 127.87 0.15 1 929 . 200 ILE H H 8.37 0.04 1 930 . 200 ILE C C 174.24 0.15 1 931 . 200 ILE CA C 60.67 0.15 1 932 . 200 ILE CB C 39.62 0.15 1 933 . 200 ILE N N 124.33 0.15 1 934 . 201 GLN H H 8.66 0.04 1 935 . 201 GLN C C 175.14 0.15 1 936 . 201 GLN CA C 54.44 0.15 1 937 . 201 GLN CB C 29.10 0.15 1 938 . 201 GLN N N 127.61 0.15 1 939 . 202 LEU H H 8.66 0.04 1 940 . 202 LEU C C 179.47 0.15 1 941 . 202 LEU CA C 53.05 0.15 1 942 . 202 LEU CB C 42.25 0.15 1 943 . 202 LEU N N 126.49 0.15 1 944 . 203 LYS H H 8.67 0.04 1 945 . 203 LYS C C 176.37 0.15 1 946 . 203 LYS CA C 58.33 0.15 1 947 . 203 LYS CB C 31.61 0.15 1 948 . 203 LYS N N 121.75 0.15 1 949 . 204 ASN H H 7.86 0.04 1 950 . 204 ASN C C 176.07 0.15 1 951 . 204 ASN CA C 52.40 0.15 1 952 . 204 ASN CB C 36.51 0.15 1 953 . 204 ASN N N 115.45 0.15 1 954 . 205 GLY H H 8.07 0.04 1 955 . 205 GLY C C 174.43 0.15 1 956 . 205 GLY CA C 44.65 0.15 1 957 . 205 GLY N N 108.21 0.15 1 958 . 206 LYS H H 7.56 0.04 1 959 . 206 LYS C C 174.27 0.15 1 960 . 206 LYS CA C 55.07 0.15 1 961 . 206 LYS CB C 32.21 0.15 1 962 . 206 LYS N N 121.40 0.15 1 963 . 207 GLU H H 8.16 0.04 1 964 . 207 GLU C C 175.79 0.15 1 965 . 207 GLU CA C 53.87 0.15 1 966 . 207 GLU CB C 32.21 0.15 1 967 . 207 GLU N N 120.11 0.15 1 968 . 208 THR H H 9.30 0.04 1 969 . 208 THR C C 171.81 0.15 1 970 . 208 THR CA C 58.38 0.15 1 971 . 208 THR CB C 70.41 0.15 1 972 . 208 THR N N 120.37 0.15 1 973 . 209 THR H H 8.51 0.04 1 974 . 209 THR C C 174.40 0.15 1 975 . 209 THR CA C 58.82 0.15 1 976 . 209 THR CB C 71.01 0.15 1 977 . 209 THR N N 112.87 0.15 1 978 . 210 LEU H H 8.42 0.04 1 979 . 210 LEU C C 177.21 0.15 1 980 . 210 LEU CA C 55.18 0.15 1 981 . 210 LEU CB C 42.13 0.15 1 982 . 210 LEU N N 121.14 0.15 1 983 . 211 ARG H H 8.66 0.04 1 984 . 211 ARG C C 176.99 0.15 1 985 . 211 ARG CA C 58.96 0.15 1 986 . 211 ARG CB C 28.86 0.15 1 987 . 211 ARG N N 123.56 0.15 1 988 . 212 THR H H 8.49 0.04 1 989 . 212 THR C C 172.90 0.15 1 990 . 212 THR CA C 58.55 0.15 1 991 . 212 THR CB C 68.02 0.15 1 992 . 212 THR N N 114.59 0.15 1 993 . 213 PRO C C 177.84 0.15 1 994 . 213 PRO CA C 65.03 0.15 1 995 . 213 PRO CB C 31.34 0.15 1 996 . 214 ALA H H 8.14 0.04 1 997 . 214 ALA C C 178.13 0.15 1 998 . 214 ALA CA C 53.06 0.15 1 999 . 214 ALA CB C 17.49 0.15 1 1000 . 214 ALA N N 118.34 0.15 1 1001 . 215 GLN H H 8.19 0.04 1 1002 . 215 GLN C C 176.68 0.15 1 1003 . 215 GLN CA C 57.43 0.15 1 1004 . 215 GLN CB C 28.36 0.15 1 1005 . 215 GLN N N 115.18 0.15 1 1006 . 216 PHE H H 7.84 0.04 1 1007 . 216 PHE C C 173.26 0.15 1 1008 . 216 PHE CA C 56.13 0.15 1 1009 . 216 PHE CB C 38.23 0.15 1 1010 . 216 PHE N N 118.00 0.15 1 1011 . 217 VAL H H 8.41 0.04 1 1012 . 217 VAL C C 176.68 0.15 1 1013 . 217 VAL CA C 62.01 0.15 1 1014 . 217 VAL CB C 32.64 0.15 1 1015 . 217 VAL N N 125.77 0.15 1 1016 . 218 GLY H H 7.66 0.04 1 1017 . 218 GLY C C 169.75 0.15 1 1018 . 218 GLY CA C 46.30 0.15 1 1019 . 218 GLY N N 106.29 0.15 1 1020 . 219 TYR H H 9.81 0.04 1 1021 . 219 TYR C C 172.78 0.15 1 1022 . 219 TYR CA C 56.13 0.15 1 1023 . 219 TYR CB C 38.82 0.15 1 1024 . 219 TYR N N 118.17 0.15 1 1025 . 220 ARG H H 8.01 0.04 1 1026 . 220 ARG C C 176.28 0.15 1 1027 . 220 ARG CA C 55.00 0.15 1 1028 . 220 ARG CB C 34.31 0.15 1 1029 . 220 ARG N N 116.12 0.15 1 1030 . 221 GLY H H 8.38 0.04 1 1031 . 221 GLY C C 172.63 0.15 1 1032 . 221 GLY CA C 43.84 0.15 1 1033 . 221 GLY N N 109.33 0.15 1 1034 . 222 ASP H H 8.44 0.04 1 1035 . 222 ASP C C 177.48 0.15 1 1036 . 222 ASP CA C 53.90 0.15 1 1037 . 222 ASP CB C 41.89 0.15 1 1038 . 222 ASP N N 120.89 0.15 1 1039 . 223 ALA H H 8.53 0.04 1 1040 . 223 ALA C C 177.48 0.15 1 1041 . 223 ALA CA C 55.07 0.15 1 1042 . 223 ALA CB C 17.08 0.15 1 1043 . 223 ALA N N 128.04 0.15 1 1044 . 224 ALA H H 8.16 0.04 1 1045 . 224 ALA C C 178.17 0.15 1 1046 . 224 ALA CA C 52.19 0.15 1 1047 . 224 ALA CB C 17.92 0.15 1 1048 . 224 ALA N N 115.19 0.15 1 1049 . 225 ALA H H 7.67 0.04 1 1050 . 225 ALA C C 172.36 0.15 1 1051 . 225 ALA CA C 50.69 0.15 1 1052 . 225 ALA CB C 16.96 0.15 1 1053 . 225 ALA N N 119.59 0.15 1 1054 . 226 PRO C C 177.41 0.15 1 1055 . 226 PRO CA C 63.30 0.15 1 1056 . 226 PRO CB C 32.05 0.15 1 1057 . 227 THR H H 8.65 0.04 1 1058 . 227 THR C C 175.76 0.15 1 1059 . 227 THR CA C 61.47 0.15 1 1060 . 227 THR CB C 68.35 0.15 1 1061 . 227 THR N N 110.14 0.15 1 1062 . 228 CYS H H 7.61 0.04 1 1063 . 228 CYS C C 172.38 0.15 1 1064 . 228 CYS CA C 56.13 0.15 1 1065 . 228 CYS CB C 29.55 0.15 1 1066 . 228 CYS N N 119.19 0.15 1 1067 . 229 ILE H H 8.66 0.04 1 1068 . 229 ILE C C 172.51 0.15 1 1069 . 229 ILE CA C 58.45 0.15 1 1070 . 229 ILE CB C 38.23 0.15 1 1071 . 229 ILE N N 124.40 0.15 1 1072 . 230 LEU H H 9.12 0.04 1 1073 . 230 LEU C C 174.15 0.15 1 1074 . 230 LEU CA C 53.49 0.15 1 1075 . 230 LEU CB C 42.86 0.15 1 1076 . 230 LEU N N 130.13 0.15 1 1077 . 231 LEU H H 9.51 0.04 1 1078 . 231 LEU C C 175.60 0.15 1 1079 . 231 LEU CA C 52.95 0.15 1 1080 . 231 LEU CB C 44.64 0.15 1 1081 . 231 LEU N N 129.87 0.15 1 1082 . 232 LYS H H 9.24 0.04 1 1083 . 232 LYS C C 174.47 0.15 1 1084 . 232 LYS CA C 54.95 0.15 1 1085 . 232 LYS CB C 35.73 0.15 1 1086 . 232 LYS N N 120.82 0.15 1 1087 . 233 ASN H H 8.96 0.04 1 1088 . 233 ASN C C 172.48 0.15 1 1089 . 233 ASN CA C 52.79 0.15 1 1090 . 233 ASN CB C 41.55 0.15 1 1091 . 233 ASN N N 122.70 0.15 1 1092 . 234 ASN H H 8.68 0.04 1 1093 . 234 ASN C C 174.69 0.15 1 1094 . 234 ASN CA C 53.23 0.15 1 1095 . 234 ASN CB C 35.02 0.15 1 1096 . 234 ASN N N 124.92 0.15 1 1097 . 235 GLY H H 8.53 0.04 1 1098 . 235 GLY C C 172.19 0.15 1 1099 . 235 GLY CA C 45.06 0.15 1 1100 . 235 GLY N N 102.21 0.15 1 1101 . 236 LEU H H 7.78 0.04 1 1102 . 236 LEU C C 176.25 0.15 1 1103 . 236 LEU CA C 52.79 0.15 1 1104 . 236 LEU CB C 43.81 0.15 1 1105 . 236 LEU N N 122.70 0.15 1 1106 . 237 HIS H H 9.10 0.04 1 1107 . 237 HIS C C 176.22 0.15 1 1108 . 237 HIS CA C 57.75 0.15 1 1109 . 237 HIS CB C 30.86 0.15 1 1110 . 237 HIS N N 119.45 0.15 1 1111 . 238 ILE H H 9.20 0.04 1 1112 . 238 ILE C C 173.02 0.15 1 1113 . 238 ILE CA C 60.88 0.15 1 1114 . 238 ILE CB C 41.91 0.15 1 1115 . 238 ILE N N 123.89 0.15 1 1116 . 239 GLU H H 9.99 0.04 1 1117 . 239 GLU C C 175.47 0.15 1 1118 . 239 GLU CA C 53.55 0.15 1 1119 . 239 GLU CB C 32.52 0.15 1 1120 . 239 GLU N N 128.25 0.15 1 1121 . 240 LEU H H 9.27 0.04 1 1122 . 240 LEU C C 175.63 0.15 1 1123 . 240 LEU CA C 53.28 0.15 1 1124 . 240 LEU CB C 40.60 0.15 1 1125 . 240 LEU N N 125.34 0.15 1 1126 . 241 GLN H H 8.37 0.04 1 1127 . 241 GLN C C 174.53 0.15 1 1128 . 241 GLN CA C 55.49 0.15 1 1129 . 241 GLN CB C 28.48 0.15 1 1130 . 241 GLN N N 123.29 0.15 1 1131 . 242 ILE H H 8.40 0.04 1 1132 . 242 ILE C C 176.22 0.15 1 1133 . 242 ILE CA C 58.99 0.15 1 1134 . 242 ILE CB C 36.92 0.15 1 1135 . 242 ILE N N 128.85 0.15 1 1136 . 243 ASP H H 8.70 0.04 1 1137 . 243 ASP C C 176.09 0.15 1 1138 . 243 ASP CA C 54.03 0.15 1 1139 . 243 ASP CB C 40.96 0.15 1 1140 . 243 ASP N N 124.66 0.15 1 1141 . 244 ALA H H 9.13 0.04 1 1142 . 244 ALA C C 175.77 0.15 1 1143 . 244 ALA CA C 53.01 0.15 1 1144 . 244 ALA CB C 16.30 0.15 1 1145 . 244 ALA N N 129.79 0.15 1 1146 . 245 ASN H H 8.42 0.04 1 1147 . 245 ASN C C 175.93 0.15 1 1148 . 245 ASN CA C 51.93 0.15 1 1149 . 245 ASN CB C 38.82 0.15 1 1150 . 245 ASN N N 113.21 0.15 1 1151 . 246 GLY H H 7.15 0.04 1 1152 . 246 GLY C C 173.26 0.15 1 1153 . 246 GLY CA C 43.98 0.15 1 1154 . 246 GLY N N 107.92 0.15 1 1155 . 247 ARG H H 8.45 0.04 1 1156 . 247 ARG C C 177.03 0.15 1 1157 . 247 ARG CA C 58.61 0.15 1 1158 . 247 ARG CB C 28.60 0.15 1 1159 . 247 ARG N N 121.42 0.15 1 1160 . 248 ILE H H 7.66 0.04 1 1161 . 248 ILE C C 178.83 0.15 1 1162 . 248 ILE CA C 62.44 0.15 1 1163 . 248 ILE CB C 37.04 0.15 1 1164 . 248 ILE N N 117.91 0.15 1 1165 . 249 GLY H H 9.70 0.04 1 1166 . 249 GLY C C 176.25 0.15 1 1167 . 249 GLY CA C 45.71 0.15 1 1168 . 249 GLY N N 108.77 0.15 1 1169 . 250 LYS H H 8.16 0.04 1 1170 . 250 LYS C C 177.16 0.15 1 1171 . 250 LYS CA C 59.26 0.15 1 1172 . 250 LYS CB C 30.80 0.15 1 1173 . 250 LYS N N 120.39 0.15 1 1174 . 251 ASP H H 7.12 0.04 1 1175 . 251 ASP C C 175.58 0.15 1 1176 . 251 ASP CA C 53.71 0.15 1 1177 . 251 ASP CB C 41.67 0.15 1 1178 . 251 ASP N N 116.20 0.15 1 1179 . 252 ASP H H 7.39 0.04 1 1180 . 252 ASP C C 177.08 0.15 1 1181 . 252 ASP CA C 51.88 0.15 1 1182 . 252 ASP CB C 45.59 0.15 1 1183 . 252 ASP N N 124.92 0.15 1 1184 . 253 PRO C C 175.58 0.15 1 1185 . 253 PRO CA C 64.70 0.15 1 1186 . 253 PRO CB C 30.74 0.15 1 1187 . 254 ALA H H 7.79 0.04 1 1188 . 254 ALA C C 176.54 0.15 1 1189 . 254 ALA CA C 49.78 0.15 1 1190 . 254 ALA CB C 18.08 0.15 1 1191 . 254 ALA N N 116.63 0.15 1 1192 . 255 HIS H H 8.14 0.04 1 1193 . 255 HIS C C 173.43 0.15 1 1194 . 255 HIS CA C 55.00 0.15 1 1195 . 255 HIS CB C 24.86 0.15 1 1196 . 255 HIS N N 112.36 0.15 1 1197 . 256 ILE H H 7.83 0.04 1 1198 . 256 ILE C C 175.84 0.15 1 1199 . 256 ILE CA C 62.55 0.15 1 1200 . 256 ILE CB C 36.09 0.15 1 1201 . 256 ILE N N 119.36 0.15 1 1202 . 257 ASN H H 9.63 0.04 1 1203 . 257 ASN C C 172.40 0.15 1 1204 . 257 ASN CA C 52.79 0.15 1 1205 . 257 ASN CB C 42.27 0.15 1 1206 . 257 ASN N N 130.47 0.15 1 1207 . 258 ASP H H 7.60 0.04 1 1208 . 258 ASP C C 173.59 0.15 1 1209 . 258 ASP CA C 52.09 0.15 1 1210 . 258 ASP CB C 42.03 0.15 1 1211 . 258 ASP N N 113.73 0.15 1 1212 . 259 VAL H H 7.97 0.04 1 1213 . 259 VAL C C 173.02 0.15 1 1214 . 259 VAL CA C 61.15 0.15 1 1215 . 259 VAL CB C 33.00 0.15 1 1216 . 259 VAL N N 122.61 0.15 1 1217 . 260 ILE H H 9.34 0.04 1 1218 . 260 ILE C C 174.98 0.15 1 1219 . 260 ILE CA C 57.86 0.15 1 1220 . 260 ILE CB C 37.63 0.15 1 1221 . 260 ILE N N 130.64 0.15 1 1222 . 261 VAL H H 9.26 0.04 1 1223 . 261 VAL C C 174.31 0.15 1 1224 . 261 VAL CA C 58.24 0.15 1 1225 . 261 VAL CB C 32.76 0.15 1 1226 . 261 VAL N N 120.73 0.15 1 1227 . 262 GLU H H 7.82 0.04 1 1228 . 262 GLU C C 176.22 0.15 1 1229 . 262 GLU CA C 55.00 0.15 1 1230 . 262 GLU CB C 29.55 0.15 1 1231 . 262 GLU N N 127.31 0.15 1 1232 . 263 ALA H H 7.90 0.04 1 1233 . 263 ALA C C 173.59 0.15 1 1234 . 263 ALA CA C 52.09 0.15 1 1235 . 263 ALA CB C 19.51 0.15 1 1236 . 263 ALA N N 130.64 0.15 1 1237 . 264 ALA H H 7.19 0.04 1 1238 . 264 ALA C C 175.60 0.15 1 1239 . 264 ALA CA C 49.61 0.15 1 1240 . 264 ALA CB C 15.35 0.15 1 1241 . 264 ALA N N 118.25 0.15 1 1242 . 265 ILE H H 7.56 0.04 1 1243 . 265 ILE C C 174.82 0.15 1 1244 . 265 ILE CA C 61.20 0.15 1 1245 . 265 ILE CB C 34.31 0.15 1 1246 . 265 ILE N N 130.64 0.15 1 1247 . 266 SER H H 7.32 0.04 1 1248 . 266 SER C C 172.39 0.15 1 1249 . 266 SER CA C 56.51 0.15 1 1250 . 266 SER CB C 65.86 0.15 1 1251 . 266 SER N N 108.00 0.15 1 1252 . 267 THR H H 8.74 0.04 1 1253 . 267 THR C C 172.32 0.15 1 1254 . 267 THR CA C 61.36 0.15 1 1255 . 267 THR CB C 74.29 0.15 1 1256 . 267 THR N N 117.62 0.15 1 1257 . 268 ILE H H 9.08 0.04 1 1258 . 268 ILE C C 173.94 0.15 1 1259 . 268 ILE CA C 59.53 0.15 1 1260 . 268 ILE CB C 36.56 0.15 1 1261 . 268 ILE N N 125.26 0.15 1 1262 . 269 LEU H H 8.96 0.04 1 1263 . 269 LEU C C 175.31 0.15 1 1264 . 269 LEU CA C 52.79 0.15 1 1265 . 269 LEU CB C 39.89 0.15 1 1266 . 269 LEU N N 128.85 0.15 1 1267 . 270 ASP H H 9.35 0.04 1 1268 . 270 ASP C C 175.60 0.15 1 1269 . 270 ASP CA C 54.84 0.15 1 1270 . 270 ASP CB C 42.27 0.15 1 1271 . 270 ASP N N 126.54 0.15 1 1272 . 271 CYS C C 173.02 0.15 1 1273 . 271 CYS CA C 57.44 0.15 1 1274 . 271 CYS CB C 28.31 0.15 1 1275 . 272 GLU H H 8.52 0.04 1 1276 . 272 GLU C C 177.14 0.15 1 1277 . 272 GLU CA C 55.34 0.15 1 1278 . 272 GLU CB C 26.73 0.15 1 1279 . 272 GLU N N 123.78 0.15 1 1280 . 273 ASP H H 7.89 0.04 1 1281 . 273 ASP CA C 57.33 0.15 1 1282 . 273 ASP CB C 39.76 0.15 1 1283 . 273 ASP N N 121.58 0.15 1 1284 . 274 SER C C 172.97 0.15 1 1285 . 274 SER CA C 58.94 0.15 1 1286 . 274 SER CB C 63.52 0.15 1 1287 . 275 VAL H H 8.00 0.04 1 1288 . 275 VAL C C 173.18 0.15 1 1289 . 275 VAL CA C 59.69 0.15 1 1290 . 275 VAL CB C 33.91 0.15 1 1291 . 275 VAL N N 117.99 0.15 1 1292 . 276 ALA H H 8.19 0.04 1 1293 . 276 ALA C C 174.59 0.15 1 1294 . 276 ALA CA C 49.41 0.15 1 1295 . 276 ALA CB C 14.69 0.15 1 1296 . 276 ALA N N 128.35 0.15 1 1297 . 277 ALA H H 8.75 0.04 1 1298 . 277 ALA C C 176.01 0.15 1 1299 . 277 ALA CA C 50.55 0.15 1 1300 . 277 ALA CB C 19.59 0.15 1 1301 . 277 ALA N N 127.87 0.15 1 1302 . 278 VAL H H 9.40 0.04 1 1303 . 278 VAL C C 173.99 0.15 1 1304 . 278 VAL CA C 59.20 0.15 1 1305 . 278 VAL CB C 32.92 0.15 1 1306 . 278 VAL N N 112.78 0.15 1 1307 . 279 ASP H H 7.09 0.04 1 1308 . 279 ASP C C 174.92 0.15 1 1309 . 279 ASP CA C 51.21 0.15 1 1310 . 279 ASP CB C 42.01 0.15 1 1311 . 279 ASP N N 118.90 0.15 1 1312 . 280 ALA H H 8.41 0.04 1 1313 . 280 ALA C C 178.00 0.15 1 1314 . 280 ALA CA C 55.20 0.15 1 1315 . 280 ALA CB C 17.80 0.15 1 1316 . 280 ALA N N 118.90 0.15 1 1317 . 281 GLU H H 7.88 0.04 1 1318 . 281 GLU C C 179.09 0.15 1 1319 . 281 GLU CA C 59.01 0.15 1 1320 . 281 GLU CB C 28.14 0.15 1 1321 . 281 GLU N N 117.43 0.15 1 1322 . 282 ASP H H 8.46 0.04 1 1323 . 282 ASP C C 177.95 0.15 1 1324 . 282 ASP CA C 56.59 0.15 1 1325 . 282 ASP CB C 41.05 0.15 1 1326 . 282 ASP N N 119.68 0.15 1 1327 . 283 LYS H H 7.73 0.04 1 1328 . 283 LYS C C 177.27 0.15 1 1329 . 283 LYS CA C 55.61 0.15 1 1330 . 283 LYS CB C 27.54 0.15 1 1331 . 283 LYS N N 115.62 0.15 1 1332 . 284 ILE H H 8.36 0.04 1 1333 . 284 ILE C C 176.31 0.15 1 1334 . 284 ILE CA C 65.86 0.15 1 1335 . 284 ILE CB C 37.11 0.15 1 1336 . 284 ILE N N 119.33 0.15 1 1337 . 285 LEU H H 6.96 0.04 1 1338 . 285 LEU C C 179.04 0.15 1 1339 . 285 LEU CA C 57.90 0.15 1 1340 . 285 LEU CB C 40.22 0.15 1 1341 . 285 LEU N N 118.56 0.15 1 1342 . 286 LEU H H 7.26 0.04 1 1343 . 286 LEU C C 178.47 0.15 1 1344 . 286 LEU CA C 57.95 0.15 1 1345 . 286 LEU CB C 41.41 0.15 1 1346 . 286 LEU N N 118.90 0.15 1 1347 . 287 TYR H H 8.76 0.04 1 1348 . 287 TYR C C 178.41 0.15 1 1349 . 287 TYR CA C 57.46 0.15 1 1350 . 287 TYR CB C 36.87 0.15 1 1351 . 287 TYR N N 117.44 0.15 1 1352 . 288 ARG H H 9.17 0.04 1 1353 . 288 ARG C C 179.64 0.15 1 1354 . 288 ARG CA C 60.29 0.15 1 1355 . 288 ARG CB C 28.38 0.15 1 1356 . 288 ARG N N 122.52 0.15 1 1357 . 289 ASN H H 7.68 0.04 1 1358 . 289 ASN C C 177.92 0.15 1 1359 . 289 ASN CA C 55.12 0.15 1 1360 . 289 ASN CB C 35.67 0.15 1 1361 . 289 ASN N N 120.89 0.15 1 1362 . 290 LEU H H 7.85 0.04 1 1363 . 290 LEU C C 178.00 0.15 1 1364 . 290 LEU CA C 58.17 0.15 1 1365 . 290 LEU CB C 40.94 0.15 1 1366 . 290 LEU N N 119.33 0.15 1 1367 . 291 LEU H H 8.74 0.04 1 1368 . 291 LEU C C 177.95 0.15 1 1369 . 291 LEU CA C 57.79 0.15 1 1370 . 291 LEU CB C 41.17 0.15 1 1371 . 291 LEU N N 121.32 0.15 1 1372 . 292 GLY H H 8.08 0.04 1 1373 . 292 GLY C C 177.48 0.15 1 1374 . 292 GLY CA C 46.99 0.15 1 1375 . 292 GLY N N 105.62 0.15 1 1376 . 293 LEU H H 8.05 0.04 1 1377 . 293 LEU C C 178.41 0.15 1 1378 . 293 LEU CA C 58.17 0.15 1 1379 . 293 LEU CB C 40.46 0.15 1 1380 . 293 LEU N N 123.56 0.15 1 1381 . 294 MET H H 8.32 0.04 1 1382 . 294 MET C C 178.41 0.15 1 1383 . 294 MET CA C 55.67 0.15 1 1384 . 294 MET CB C 32.33 0.15 1 1385 . 294 MET N N 117.52 0.15 1 1386 . 295 GLN H H 8.30 0.04 1 1387 . 295 GLN C C 177.10 0.15 1 1388 . 295 GLN CA C 56.43 0.15 1 1389 . 295 GLN CB C 28.86 0.15 1 1390 . 295 GLN N N 114.94 0.15 1 1391 . 296 GLY H H 7.43 0.04 1 1392 . 296 GLY C C 174.76 0.15 1 1393 . 296 GLY CA C 44.92 0.15 1 1394 . 296 GLY N N 106.47 0.15 1 1395 . 297 THR H H 8.03 0.04 1 1396 . 297 THR C C 174.89 0.15 1 1397 . 297 THR CA C 60.56 0.15 1 1398 . 297 THR CB C 69.21 0.15 1 1399 . 297 THR N N 109.76 0.15 1 1400 . 298 LEU H H 6.57 0.04 1 1401 . 298 LEU C C 174.46 0.15 1 1402 . 298 LEU CA C 56.10 0.15 1 1403 . 298 LEU CB C 41.05 0.15 1 1404 . 298 LEU N N 124.68 0.15 1 1405 . 299 GLN H H 8.07 0.04 1 1406 . 299 GLN C C 174.40 0.15 1 1407 . 299 GLN CA C 53.65 0.15 1 1408 . 299 GLN CB C 30.29 0.15 1 1409 . 299 GLN N N 121.88 0.15 1 1410 . 300 GLU H H 8.55 0.04 1 1411 . 300 GLU C C 174.29 0.15 1 1412 . 300 GLU CA C 54.61 0.15 1 1413 . 300 GLU CB C 32.09 0.15 1 1414 . 300 GLU N N 120.97 0.15 1 1415 . 301 LYS H H 8.63 0.04 1 1416 . 301 LYS C C 175.38 0.15 1 1417 . 301 LYS CA C 55.07 0.15 1 1418 . 301 LYS CB C 32.57 0.15 1 1419 . 301 LYS N N 126.06 0.15 1 1420 . 302 MET H H 8.74 0.04 1 1421 . 302 MET C C 173.72 0.15 1 1422 . 302 MET CA C 53.98 0.15 1 1423 . 302 MET CB C 34.48 0.15 1 1424 . 302 MET N N 122.78 0.15 1 1425 . 303 GLU H H 8.36 0.04 1 1426 . 303 GLU C C 175.74 0.15 1 1427 . 303 GLU CA C 54.88 0.15 1 1428 . 303 GLU CB C 30.41 0.15 1 1429 . 303 GLU N N 122.61 0.15 1 1430 . 304 LYS H H 8.76 0.04 1 1431 . 304 LYS C C 174.76 0.15 1 1432 . 304 LYS CA C 55.07 0.15 1 1433 . 304 LYS CB C 34.00 0.15 1 1434 . 304 LYS N N 126.06 0.15 1 1435 . 305 ASN H H 8.29 0.04 1 1436 . 305 ASN C C 178.68 0.15 1 1437 . 305 ASN CA C 54.77 0.15 1 1438 . 305 ASN CB C 42.97 0.15 1 1439 . 305 ASN N N 131.23 0.15 1 1440 . 306 GLY H H 8.54 0.04 1 1441 . 306 GLY C C 174.26 0.15 1 1442 . 306 GLY CA C 45.54 0.15 1 1443 . 306 GLY N N 113.38 0.15 1 1444 . 307 ARG H H 8.00 0.04 1 1445 . 307 ARG C C 175.28 0.15 1 1446 . 307 ARG CA C 54.68 0.15 1 1447 . 307 ARG CB C 29.91 0.15 1 1448 . 307 ARG N N 121.42 0.15 1 1449 . 308 GLN H H 8.42 0.04 1 1450 . 308 GLN C C 175.44 0.15 1 1451 . 308 GLN CA C 54.84 0.15 1 1452 . 308 GLN CB C 28.72 0.15 1 1453 . 308 GLN N N 122.61 0.15 1 1454 . 309 ILE H H 8.76 0.04 1 1455 . 309 ILE C C 174.77 0.15 1 1456 . 309 ILE CA C 59.42 0.15 1 1457 . 309 ILE CB C 39.30 0.15 1 1458 . 309 ILE N N 125.24 0.15 1 1459 . 310 VAL H H 8.29 0.04 1 1460 . 310 VAL C C 175.36 0.15 1 1461 . 310 VAL CA C 60.82 0.15 1 1462 . 310 VAL CB C 32.41 0.15 1 1463 . 310 VAL N N 124.66 0.15 1 1464 . 311 ARG H H 8.95 0.04 1 1465 . 311 ARG C C 173.72 0.15 1 1466 . 311 ARG CA C 54.29 0.15 1 1467 . 311 ARG CB C 30.72 0.15 1 1468 . 311 ARG N N 129.42 0.15 1 1469 . 312 LYS H H 8.23 0.04 1 1470 . 312 LYS C C 175.98 0.15 1 1471 . 312 LYS CA C 53.70 0.15 1 1472 . 312 LYS CB C 34.19 0.15 1 1473 . 312 LYS N N 121.67 0.15 1 1474 . 313 LEU H H 8.50 0.04 1 1475 . 313 LEU C C 177.67 0.15 1 1476 . 313 LEU CA C 54.68 0.15 1 1477 . 313 LEU CB C 40.96 0.15 1 1478 . 313 LEU N N 121.50 0.15 1 1479 . 314 ASN H H 9.29 0.04 1 1480 . 314 ASN C C 176.25 0.15 1 1481 . 314 ASN CA C 52.15 0.15 1 1482 . 314 ASN CB C 38.23 0.15 1 1483 . 314 ASN N N 123.21 0.15 1 1484 . 315 ASP H H 8.26 0.04 1 1485 . 315 ASP C C 176.30 0.15 1 1486 . 315 ASP CA C 53.06 0.15 1 1487 . 315 ASP CB C 41.55 0.15 1 1488 . 315 ASP N N 120.73 0.15 1 1489 . 316 ASP H H 8.33 0.04 1 1490 . 316 ASP C C 174.02 0.15 1 1491 . 316 ASP CA C 54.52 0.15 1 1492 . 316 ASP CB C 39.53 0.15 1 1493 . 316 ASP N N 119.36 0.15 1 1494 . 317 ARG H H 8.07 0.04 1 1495 . 317 ARG C C 174.26 0.15 1 1496 . 317 ARG CA C 54.57 0.15 1 1497 . 317 ARG CB C 33.00 0.15 1 1498 . 317 ARG N N 118.59 0.15 1 1499 . 318 HIS H H 8.05 0.04 1 1500 . 318 HIS C C 174.15 0.15 1 1501 . 318 HIS CA C 54.46 0.15 1 1502 . 318 HIS CB C 30.39 0.15 1 1503 . 318 HIS N N 121.84 0.15 1 1504 . 319 TYR H H 8.71 0.04 1 1505 . 319 TYR C C 174.23 0.15 1 1506 . 319 TYR CA C 55.65 0.15 1 1507 . 319 TYR CB C 40.84 0.15 1 1508 . 319 TYR N N 119.36 0.15 1 1509 . 320 THR H H 8.81 0.04 1 1510 . 320 THR C C 173.39 0.15 1 1511 . 320 THR CA C 61.35 0.15 1 1512 . 320 THR CB C 68.26 0.15 1 1513 . 320 THR N N 120.19 0.15 1 1514 . 321 ALA H H 9.34 0.04 1 1515 . 321 ALA C C 178.63 0.15 1 1516 . 321 ALA CA C 50.99 0.15 1 1517 . 321 ALA CB C 18.75 0.15 1 1518 . 321 ALA N N 128.48 0.15 1 1519 . 322 ALA H H 7.26 0.04 1 1520 . 322 ALA C C 177.51 0.15 1 1521 . 322 ALA CA C 55.31 0.15 1 1522 . 322 ALA CB C 18.16 0.15 1 1523 . 322 ALA N N 122.52 0.15 1 1524 . 323 ASP H H 7.62 0.04 1 1525 . 323 ASP C C 177.32 0.15 1 1526 . 323 ASP CA C 53.00 0.15 1 1527 . 323 ASP CB C 39.26 0.15 1 1528 . 323 ASP N N 110.88 0.15 1 1529 . 324 GLY H H 8.51 0.04 1 1530 . 324 GLY C C 174.51 0.15 1 1531 . 324 GLY CA C 44.54 0.15 1 1532 . 324 GLY N N 110.02 0.15 1 1533 . 325 SER H H 8.03 0.04 1 1534 . 325 SER C C 172.03 0.15 1 1535 . 325 SER CA C 58.00 0.15 1 1536 . 325 SER CB C 62.93 0.15 1 1537 . 325 SER N N 118.21 0.15 1 1538 . 326 GLU H H 8.32 0.04 1 1539 . 326 GLU C C 176.75 0.15 1 1540 . 326 GLU CA C 56.16 0.15 1 1541 . 326 GLU CB C 30.17 0.15 1 1542 . 326 GLU N N 120.37 0.15 1 1543 . 327 ILE H H 8.53 0.04 1 1544 . 327 ILE C C 174.40 0.15 1 1545 . 327 ILE CA C 59.42 0.15 1 1546 . 327 ILE CB C 41.41 0.15 1 1547 . 327 ILE N N 120.80 0.15 1 1548 . 328 SER H H 8.19 0.04 1 1549 . 328 SER C C 173.26 0.15 1 1550 . 328 SER CA C 55.75 0.15 1 1551 . 328 SER CB C 64.13 0.15 1 1552 . 328 SER N N 118.13 0.15 1 1553 . 329 LEU H H 9.11 0.04 1 1554 . 329 LEU C C 176.31 0.15 1 1555 . 329 LEU CA C 52.35 0.15 1 1556 . 329 LEU CB C 43.33 0.15 1 1557 . 329 LEU N N 124.68 0.15 1 1558 . 330 HIS H H 8.62 0.04 1 1559 . 330 HIS C C 178.57 0.15 1 1560 . 330 HIS CA C 56.48 0.15 1 1561 . 330 HIS CB C 29.70 0.15 1 1562 . 330 HIS N N 123.56 0.15 1 1563 . 331 GLY H H 9.08 0.04 1 1564 . 331 GLY C C 172.14 0.15 1 1565 . 331 GLY CA C 45.68 0.15 1 1566 . 331 GLY N N 111.83 0.15 1 1567 . 332 ARG H H 6.74 0.04 1 1568 . 332 ARG C C 175.60 0.15 1 1569 . 332 ARG CA C 53.22 0.15 1 1570 . 332 ARG CB C 31.97 0.15 1 1571 . 332 ARG N N 116.75 0.15 1 1572 . 333 SER H H 9.70 0.04 1 1573 . 333 SER C C 174.62 0.15 1 1574 . 333 SER CA C 58.66 0.15 1 1575 . 333 SER CB C 64.13 0.15 1 1576 . 333 SER N N 120.02 0.15 1 1577 . 334 LEU H H 8.55 0.04 1 1578 . 334 LEU C C 175.00 0.15 1 1579 . 334 LEU CA C 56.21 0.15 1 1580 . 334 LEU CB C 40.70 0.15 1 1581 . 334 LEU N N 130.02 0.15 1 1582 . 335 LEU H H 9.90 0.04 1 1583 . 335 LEU C C 176.72 0.15 1 1584 . 335 LEU CA C 54.41 0.15 1 1585 . 335 LEU CB C 40.46 0.15 1 1586 . 335 LEU N N 128.90 0.15 1 1587 . 336 PHE H H 9.37 0.04 1 1588 . 336 PHE C C 175.71 0.15 1 1589 . 336 PHE CA C 52.89 0.15 1 1590 . 336 PHE CB C 40.81 0.15 1 1591 . 336 PHE N N 125.45 0.15 1 1592 . 337 ILE H H 9.06 0.04 1 1593 . 337 ILE C C 176.31 0.15 1 1594 . 337 ILE CA C 60.12 0.15 1 1595 . 337 ILE CB C 41.05 0.15 1 1596 . 337 ILE N N 119.85 0.15 1 1597 . 338 ARG H H 8.67 0.04 1 1598 . 338 ARG C C 176.78 0.15 1 1599 . 338 ARG CA C 54.69 0.15 1 1600 . 338 ARG CB C 31.13 0.15 1 1601 . 338 ARG N N 127.52 0.15 1 1602 . 339 ASN H H 7.40 0.04 1 1603 . 339 ASN C C 172.17 0.15 1 1604 . 339 ASN CA C 52.19 0.15 1 1605 . 339 ASN CB C 42.37 0.15 1 1606 . 339 ASN N N 126.23 0.15 1 1607 . 340 VAL H H 8.84 0.04 1 1608 . 340 VAL C C 176.97 0.15 1 1609 . 340 VAL CA C 62.57 0.15 1 1610 . 340 VAL CB C 31.37 0.15 1 1611 . 340 VAL N N 110.88 0.15 1 1612 . 342 HIS C C 176.65 0.15 1 1613 . 342 HIS CA C 55.32 0.15 1 1614 . 342 HIS CB C 31.39 0.15 1 1615 . 343 LEU H H 7.21 0.04 1 1616 . 343 LEU C C 177.42 0.15 1 1617 . 343 LEU CA C 59.07 0.15 1 1618 . 343 LEU CB C 42.07 0.15 1 1619 . 343 LEU N N 117.68 0.15 1 1620 . 344 MET H H 8.83 0.04 1 1621 . 344 MET C C 179.21 0.15 1 1622 . 344 MET CA C 54.71 0.15 1 1623 . 344 MET CB C 30.16 0.15 1 1624 . 344 MET N N 114.77 0.15 1 1625 . 345 THR H H 8.20 0.04 1 1626 . 345 THR C C 172.65 0.15 1 1627 . 345 THR CA C 60.09 0.15 1 1628 . 345 THR CB C 69.06 0.15 1 1629 . 345 THR N N 113.35 0.15 1 1630 . 346 ILE H H 8.16 0.04 1 1631 . 346 ILE C C 173.59 0.15 1 1632 . 346 ILE CA C 55.84 0.15 1 1633 . 346 ILE CB C 42.81 0.15 1 1634 . 346 ILE N N 120.18 0.15 1 1635 . 347 PRO C C 173.26 0.15 1 1636 . 347 PRO CA C 61.63 0.15 1 1637 . 347 PRO CB C 27.77 0.15 1 1638 . 348 VAL H H 7.67 0.04 1 1639 . 348 VAL C C 172.11 0.15 1 1640 . 348 VAL CA C 62.39 0.15 1 1641 . 348 VAL CB C 34.19 0.15 1 1642 . 348 VAL N N 122.83 0.15 1 1643 . 349 ILE H H 5.93 0.04 1 1644 . 349 ILE C C 172.24 0.15 1 1645 . 349 ILE CA C 58.56 0.15 1 1646 . 349 ILE CB C 41.91 0.15 1 1647 . 349 ILE N N 116.12 0.15 1 1648 . 350 TRP H H 9.50 0.04 1 1649 . 350 TRP C C 175.28 0.15 1 1650 . 350 TRP CA C 56.62 0.15 1 1651 . 350 TRP CB C 33.24 0.15 1 1652 . 350 TRP N N 127.22 0.15 1 1653 . 351 ASP H H 8.51 0.04 1 1654 . 351 ASP C C 178.13 0.15 1 1655 . 351 ASP CA C 51.88 0.15 1 1656 . 351 ASP CB C 40.84 0.15 1 1657 . 351 ASP N N 119.96 0.15 1 1658 . 352 SER H H 9.86 0.04 1 1659 . 352 SER C C 176.06 0.15 1 1660 . 352 SER CA C 60.88 0.15 1 1661 . 352 SER CB C 62.35 0.15 1 1662 . 352 SER N N 115.26 0.15 1 1663 . 353 GLU H H 8.16 0.04 1 1664 . 353 GLU C C 176.41 0.15 1 1665 . 353 GLU CA C 55.16 0.15 1 1666 . 353 GLU CB C 29.32 0.15 1 1667 . 353 GLU N N 121.50 0.15 1 1668 . 354 GLY H H 8.23 0.04 1 1669 . 354 GLY C C 174.63 0.15 1 1670 . 354 GLY CA C 44.79 0.15 1 1671 . 354 GLY N N 108.43 0.15 1 1672 . 355 ASN H H 8.68 0.04 1 1673 . 355 ASN C C 176.06 0.15 1 1674 . 355 ASN CA C 52.52 0.15 1 1675 . 355 ASN CB C 38.11 0.15 1 1676 . 355 ASN N N 120.82 0.15 1 1677 . 356 GLU H H 8.73 0.04 1 1678 . 356 GLU C C 176.76 0.15 1 1679 . 356 GLU CA C 55.81 0.15 1 1680 . 356 GLU CB C 30.03 0.15 1 1681 . 356 GLU N N 123.72 0.15 1 1682 . 361 ILE C C 176.28 0.15 1 1683 . 361 ILE CA C 65.62 0.15 1 1684 . 361 ILE CB C 36.56 0.15 1 1685 . 362 LEU H H 7.29 0.04 1 1686 . 362 LEU C C 177.32 0.15 1 1687 . 362 LEU CA C 58.72 0.15 1 1688 . 362 LEU CB C 40.72 0.15 1 1689 . 362 LEU N N 121.07 0.15 1 1690 . 363 ASP H H 9.23 0.04 1 1691 . 363 ASP C C 179.96 0.15 1 1692 . 363 ASP CA C 56.94 0.15 1 1693 . 363 ASP CB C 39.65 0.15 1 1694 . 363 ASP N N 115.86 0.15 1 1695 . 364 GLY H H 7.87 0.04 1 1696 . 364 GLY C C 174.50 0.15 1 1697 . 364 GLY CA C 47.38 0.15 1 1698 . 364 GLY N N 110.05 0.15 1 1699 . 365 VAL H H 7.95 0.04 1 1700 . 365 VAL C C 177.35 0.15 1 1701 . 365 VAL CA C 66.29 0.15 1 1702 . 365 VAL CB C 30.50 0.15 1 1703 . 365 VAL N N 122.53 0.15 1 1704 . 366 MET H H 8.12 0.04 1 1705 . 366 MET C C 178.59 0.15 1 1706 . 366 MET CA C 54.90 0.15 1 1707 . 366 MET CB C 27.65 0.15 1 1708 . 366 MET N N 113.64 0.15 1 1709 . 367 THR H H 8.58 0.04 1 1710 . 367 THR C C 175.82 0.15 1 1711 . 367 THR CA C 67.52 0.15 1 1712 . 367 THR N N 115.26 0.15 1 1713 . 368 GLY H H 8.02 0.04 1 1714 . 368 GLY C C 172.94 0.15 1 1715 . 368 GLY CA C 46.95 0.15 1 1716 . 368 GLY N N 108.00 0.15 1 1717 . 369 ALA H H 8.15 0.04 1 1718 . 369 ALA C C 178.43 0.15 1 1719 . 369 ALA CA C 54.57 0.15 1 1720 . 369 ALA CB C 15.94 0.15 1 1721 . 369 ALA N N 122.18 0.15 1 1722 . 370 ILE H H 8.03 0.04 1 1723 . 370 ILE C C 177.81 0.15 1 1724 . 370 ILE CA C 64.38 0.15 1 1725 . 370 ILE CB C 37.16 0.15 1 1726 . 370 ILE N N 115.35 0.15 1 1727 . 371 ALA H H 8.46 0.04 1 1728 . 371 ALA C C 179.37 0.15 1 1729 . 371 ALA CA C 54.03 0.15 1 1730 . 371 ALA CB C 18.80 0.15 1 1731 . 371 ALA N N 121.42 0.15 1 1732 . 372 LEU H H 7.53 0.04 1 1733 . 372 LEU C C 180.12 0.15 1 1734 . 372 LEU CA C 57.64 0.15 1 1735 . 372 LEU CB C 39.89 0.15 1 1736 . 372 LEU N N 119.45 0.15 1 1737 . 373 TYR H H 7.75 0.04 1 1738 . 373 TYR C C 178.59 0.15 1 1739 . 373 TYR CA C 62.71 0.15 1 1740 . 373 TYR CB C 36.45 0.15 1 1741 . 373 TYR N N 115.09 0.15 1 1742 . 374 ASP H H 7.57 0.04 1 1743 . 374 ASP C C 178.88 0.15 1 1744 . 374 ASP CA C 56.51 0.15 1 1745 . 374 ASP CB C 42.39 0.15 1 1746 . 374 ASP N N 118.25 0.15 1 1747 . 375 LEU H H 7.68 0.04 1 1748 . 375 LEU C C 178.27 0.15 1 1749 . 375 LEU CA C 57.05 0.15 1 1750 . 375 LEU CB C 38.94 0.15 1 1751 . 375 LEU N N 118.94 0.15 1 1752 . 376 LYS H H 7.00 0.04 1 1753 . 376 LYS C C 177.65 0.15 1 1754 . 376 LYS CA C 57.75 0.15 1 1755 . 376 LYS CB C 32.29 0.15 1 1756 . 376 LYS N N 115.78 0.15 1 1757 . 377 VAL H H 8.01 0.04 1 1758 . 377 VAL C C 176.57 0.15 1 1759 . 377 VAL CA C 63.30 0.15 1 1760 . 377 VAL CB C 32.29 0.15 1 1761 . 377 VAL N N 115.04 0.15 1 1762 . 378 GLN H H 9.17 0.04 1 1763 . 378 GLN C C 175.28 0.15 1 1764 . 378 GLN CA C 56.30 0.15 1 1765 . 378 GLN CB C 25.21 0.15 1 1766 . 378 GLN N N 117.40 0.15 1 1767 . 379 LYS H H 7.14 0.04 1 1768 . 379 LYS C C 175.93 0.15 1 1769 . 379 LYS CA C 56.67 0.15 1 1770 . 379 LYS CB C 32.05 0.15 1 1771 . 379 LYS N N 115.52 0.15 1 1772 . 380 ASN H H 9.86 0.04 1 1773 . 380 ASN C C 173.16 0.15 1 1774 . 380 ASN CA C 53.66 0.15 1 1775 . 380 ASN CB C 37.16 0.15 1 1776 . 380 ASN N N 119.68 0.15 1 1777 . 381 SER H H 9.43 0.04 1 1778 . 381 SER C C 177.15 0.15 1 1779 . 381 SER CA C 56.84 0.15 1 1780 . 381 SER CB C 64.13 0.15 1 1781 . 381 SER N N 115.95 0.15 1 1782 . 382 ARG H H 9.50 0.04 1 1783 . 382 ARG C C 177.43 0.15 1 1784 . 382 ARG CA C 56.89 0.15 1 1785 . 382 ARG CB C 30.74 0.15 1 1786 . 382 ARG N N 129.62 0.15 1 1787 . 383 THR H H 8.20 0.04 1 1788 . 383 THR C C 175.20 0.15 1 1789 . 383 THR CA C 61.06 0.15 1 1790 . 383 THR CB C 67.52 0.15 1 1791 . 383 THR N N 109.97 0.15 1 1792 . 384 GLY H H 7.83 0.04 1 1793 . 384 GLY C C 174.26 0.15 1 1794 . 384 GLY CA C 45.87 0.15 1 1795 . 384 GLY N N 111.25 0.15 1 1796 . 385 SER H H 8.18 0.04 1 1797 . 385 SER C C 170.95 0.15 1 1798 . 385 SER CA C 58.20 0.15 1 1799 . 385 SER CB C 66.22 0.15 1 1800 . 385 SER N N 115.62 0.15 1 1801 . 386 VAL H H 7.36 0.04 1 1802 . 386 VAL C C 173.34 0.15 1 1803 . 386 VAL CA C 59.85 0.15 1 1804 . 386 VAL CB C 33.76 0.15 1 1805 . 386 VAL N N 121.66 0.15 1 1806 . 387 TYR H H 9.21 0.04 1 1807 . 387 TYR C C 173.67 0.15 1 1808 . 387 TYR CA C 56.26 0.15 1 1809 . 387 TYR CB C 38.66 0.15 1 1810 . 387 TYR N N 127.01 0.15 1 1811 . 388 ILE H H 8.40 0.04 1 1812 . 388 ILE C C 176.39 0.15 1 1813 . 388 ILE CA C 59.34 0.15 1 1814 . 388 ILE CB C 37.95 0.15 1 1815 . 388 ILE N N 123.47 0.15 1 1816 . 389 VAL H H 9.31 0.04 1 1817 . 389 VAL C C 174.16 0.15 1 1818 . 389 VAL CA C 61.59 0.15 1 1819 . 389 VAL CB C 31.37 0.15 1 1820 . 389 VAL N N 128.39 0.15 1 1821 . 390 LYS H H 9.28 0.04 1 1822 . 390 LYS C C 173.83 0.15 1 1823 . 390 LYS CA C 48.54 0.15 1 1824 . 390 LYS CB C 31.25 0.15 1 1825 . 390 LYS N N 129.69 0.15 1 1826 . 391 PRO C C 176.21 0.15 1 1827 . 391 PRO CA C 61.99 0.15 1 1828 . 391 PRO CB C 32.25 0.15 1 1829 . 392 LYS H H 10.08 0.04 1 1830 . 392 LYS C C 175.47 0.15 1 1831 . 392 LYS CA C 57.76 0.15 1 1832 . 392 LYS CB C 33.97 0.15 1 1833 . 392 LYS N N 114.59 0.15 1 1834 . 393 MET H H 8.70 0.04 1 1835 . 393 MET C C 177.94 0.15 1 1836 . 393 MET CA C 56.92 0.15 1 1837 . 393 MET CB C 33.48 0.15 1 1838 . 393 MET N N 117.77 0.15 1 1839 . 394 HIS H H 9.55 0.04 1 1840 . 394 HIS C C 174.61 0.15 1 1841 . 394 HIS CA C 54.73 0.15 1 1842 . 394 HIS CB C 31.36 0.15 1 1843 . 394 HIS N N 127.19 0.15 1 1844 . 395 GLY H H 8.48 0.04 1 1845 . 395 GLY CA C 44.82 0.15 1 1846 . 395 GLY N N 108.53 0.15 1 1847 . 396 PRO C C 178.97 0.15 1 1848 . 396 PRO CA C 65.62 0.15 1 1849 . 396 PRO CB C 32.05 0.15 1 1850 . 397 GLN H H 8.37 0.04 1 1851 . 397 GLN C C 180.12 0.15 1 1852 . 397 GLN CA C 58.56 0.15 1 1853 . 397 GLN CB C 26.23 0.15 1 1854 . 397 GLN N N 121.42 0.15 1 1855 . 398 GLU H H 8.14 0.04 1 1856 . 398 GLU C C 179.82 0.15 1 1857 . 398 GLU CA C 60.12 0.15 1 1858 . 398 GLU CB C 28.01 0.15 1 1859 . 398 GLU N N 121.16 0.15 1 1860 . 399 VAL H H 7.45 0.04 1 1861 . 399 VAL C C 177.94 0.15 1 1862 . 399 VAL CA C 65.46 0.15 1 1863 . 399 VAL CB C 29.67 0.15 1 1864 . 399 VAL N N 123.38 0.15 1 1865 . 400 ALA H H 8.55 0.04 1 1866 . 400 ALA C C 180.60 0.15 1 1867 . 400 ALA CA C 54.84 0.15 1 1868 . 400 ALA CB C 16.18 0.15 1 1869 . 400 ALA N N 124.66 0.15 1 1870 . 401 PHE H H 8.00 0.04 1 1871 . 401 PHE C C 176.19 0.15 1 1872 . 401 PHE CA C 60.77 0.15 1 1873 . 401 PHE CB C 38.23 0.15 1 1874 . 401 PHE N N 119.72 0.15 1 1875 . 402 ALA H H 7.37 0.04 1 1876 . 402 ALA C C 177.41 0.15 1 1877 . 402 ALA CA C 54.57 0.15 1 1878 . 402 ALA CB C 17.13 0.15 1 1879 . 402 ALA N N 121.24 0.15 1 1880 . 403 ASN H H 8.50 0.04 1 1881 . 403 ASN C C 177.08 0.15 1 1882 . 403 ASN CA C 57.37 0.15 1 1883 . 403 ASN CB C 39.18 0.15 1 1884 . 403 ASN N N 116.89 0.15 1 1885 . 404 LYS H H 8.26 0.04 1 1886 . 404 LYS C C 177.89 0.15 1 1887 . 404 LYS CA C 59.42 0.15 1 1888 . 404 LYS CB C 31.10 0.15 1 1889 . 404 LYS N N 124.06 0.15 1 1890 . 405 LEU H H 8.22 0.04 1 1891 . 405 LEU C C 177.54 0.15 1 1892 . 405 LEU CA C 57.59 0.15 1 1893 . 405 LEU CB C 39.41 0.15 1 1894 . 405 LEU N N 120.73 0.15 1 1895 . 406 PHE H H 8.54 0.04 1 1896 . 406 PHE C C 177.16 0.15 1 1897 . 406 PHE CA C 58.88 0.15 1 1898 . 406 PHE CB C 34.66 0.15 1 1899 . 406 PHE N N 118.94 0.15 1 1900 . 407 THR H H 8.05 0.04 1 1901 . 407 THR C C 176.62 0.15 1 1902 . 407 THR CA C 65.97 0.15 1 1903 . 407 THR CB C 68.35 0.15 1 1904 . 407 THR N N 118.17 0.15 1 1905 . 408 ARG H H 8.18 0.04 1 1906 . 408 ARG C C 179.99 0.15 1 1907 . 408 ARG CA C 55.97 0.15 1 1908 . 408 ARG CB C 27.18 0.15 1 1909 . 408 ARG N N 120.99 0.15 1 1910 . 409 ILE H H 8.43 0.04 1 1911 . 409 ILE C C 176.87 0.15 1 1912 . 409 ILE CA C 65.35 0.15 1 1913 . 409 ILE CB C 36.92 0.15 1 1914 . 409 ILE N N 123.38 0.15 1 1915 . 410 GLU H H 7.93 0.04 1 1916 . 410 GLU C C 179.13 0.15 1 1917 . 410 GLU CA C 59.10 0.15 1 1918 . 410 GLU CB C 26.82 0.15 1 1919 . 410 GLU N N 118.51 0.15 1 1920 . 411 THR H H 7.87 0.04 1 1921 . 411 THR C C 177.38 0.15 1 1922 . 411 THR CA C 65.51 0.15 1 1923 . 411 THR CB C 67.99 0.15 1 1924 . 411 THR N N 113.00 0.15 1 1925 . 412 MET H H 7.63 0.04 1 1926 . 412 MET C C 176.47 0.15 1 1927 . 412 MET CA C 58.11 0.15 1 1928 . 412 MET CB C 31.21 0.15 1 1929 . 412 MET N N 120.54 0.15 1 1930 . 413 LEU H H 7.67 0.04 1 1931 . 413 LEU C C 175.30 0.15 1 1932 . 413 LEU CA C 53.60 0.15 1 1933 . 413 LEU CB C 40.34 0.15 1 1934 . 413 LEU N N 117.69 0.15 1 1935 . 414 GLY H H 7.43 0.04 1 1936 . 414 GLY C C 175.49 0.15 1 1937 . 414 GLY CA C 45.68 0.15 1 1938 . 414 GLY N N 106.83 0.15 1 1939 . 415 MET H H 8.10 0.04 1 1940 . 415 MET C C 175.30 0.15 1 1941 . 415 MET CA C 54.58 0.15 1 1942 . 415 MET CB C 33.94 0.15 1 1943 . 415 MET N N 118.38 0.15 1 1944 . 416 ALA H H 8.49 0.04 1 1945 . 416 ALA C C 176.01 0.15 1 1946 . 416 ALA CA C 49.68 0.15 1 1947 . 416 ALA CB C 15.66 0.15 1 1948 . 416 ALA N N 124.68 0.15 1 1949 . 417 PRO C C 177.41 0.15 1 1950 . 417 PRO CA C 62.92 0.15 1 1951 . 417 PRO CB C 30.74 0.15 1 1952 . 418 ASN H H 9.09 0.04 1 1953 . 418 ASN C C 174.12 0.15 1 1954 . 418 ASN CA C 55.11 0.15 1 1955 . 418 ASN CB C 35.97 0.15 1 1956 . 418 ASN N N 117.40 0.15 1 1957 . 419 THR H H 7.51 0.04 1 1958 . 419 THR C C 173.88 0.15 1 1959 . 419 THR CA C 67.64 0.15 1 1960 . 419 THR CB C 69.54 0.15 1 1961 . 419 THR N N 121.42 0.15 1 1962 . 420 LEU H H 8.77 0.04 1 1963 . 420 LEU C C 175.15 0.15 1 1964 . 420 LEU CA C 53.49 0.15 1 1965 . 420 LEU CB C 38.70 0.15 1 1966 . 420 LEU N N 117.28 0.15 1 1967 . 421 LYS H H 9.31 0.04 1 1968 . 421 LYS C C 175.15 0.15 1 1969 . 421 LYS CA C 52.74 0.15 1 1970 . 421 LYS CB C 31.10 0.15 1 1971 . 421 LYS N N 127.05 0.15 1 1972 . 422 MET H H 8.39 0.04 1 1973 . 422 MET C C 176.25 0.15 1 1974 . 422 MET CA C 53.33 0.15 1 1975 . 422 MET CB C 38.94 0.15 1 1976 . 422 MET N N 120.05 0.15 1 1977 . 423 GLY H H 9.38 0.04 1 1978 . 423 GLY C C 172.16 0.15 1 1979 . 423 GLY CA C 44.09 0.15 1 1980 . 423 GLY N N 114.15 0.15 1 1981 . 424 ILE H H 9.10 0.04 1 1982 . 424 ILE C C 175.28 0.15 1 1983 . 424 ILE CA C 60.45 0.15 1 1984 . 424 ILE CB C 38.47 0.15 1 1985 . 424 ILE N N 127.99 0.15 1 1986 . 425 MET H H 6.54 0.04 1 1987 . 425 MET C C 175.11 0.15 1 1988 . 425 MET CA C 56.33 0.15 1 1989 . 425 MET CB C 30.41 0.15 1 1990 . 425 MET N N 122.32 0.15 1 1991 . 427 GLU CB C 30.49 0.15 1 1992 . 428 GLU CB C 34.08 0.15 1 1993 . 432 SER C C 176.01 0.15 1 1994 . 432 SER CA C 60.98 0.15 1 1995 . 432 SER CB C 61.99 0.15 1 1996 . 433 LEU H H 7.76 0.04 1 1997 . 433 LEU C C 175.63 0.15 1 1998 . 433 LEU CA C 56.84 0.15 1 1999 . 433 LEU CB C 40.60 0.15 1 2000 . 433 LEU N N 113.81 0.15 1 2001 . 434 ASN H H 6.88 0.04 1 2002 . 434 ASN C C 178.43 0.15 1 2003 . 434 ASN CA C 51.07 0.15 1 2004 . 434 ASN CB C 40.72 0.15 1 2005 . 434 ASN N N 114.41 0.15 1 2006 . 435 LEU H H 6.90 0.04 1 2007 . 435 LEU C C 178.59 0.15 1 2008 . 435 LEU CA C 60.23 0.15 1 2009 . 435 LEU CB C 40.25 0.15 1 2010 . 435 LEU N N 125.69 0.15 1 2011 . 436 ARG H H 8.29 0.04 1 2012 . 436 ARG C C 177.70 0.15 1 2013 . 436 ARG CA C 60.50 0.15 1 2014 . 436 ARG CB C 28.25 0.15 1 2015 . 436 ARG N N 118.42 0.15 1 2016 . 437 SER H H 8.32 0.04 1 2017 . 437 SER C C 176.65 0.15 1 2018 . 437 SER CA C 60.66 0.15 1 2019 . 437 SER CB C 61.99 0.15 1 2020 . 437 SER N N 113.30 0.15 1 2021 . 438 CYS H H 7.91 0.04 1 2022 . 438 CYS C C 175.60 0.15 1 2023 . 438 CYS CA C 64.65 0.15 1 2024 . 438 CYS CB C 25.87 0.15 1 2025 . 438 CYS N N 119.45 0.15 1 2026 . 439 ILE H H 8.00 0.04 1 2027 . 439 ILE C C 177.59 0.15 1 2028 . 439 ILE CA C 65.35 0.15 1 2029 . 439 ILE CB C 36.21 0.15 1 2030 . 439 ILE N N 119.79 0.15 1 2031 . 440 ALA H H 7.67 0.04 1 2032 . 440 ALA C C 179.15 0.15 1 2033 . 440 ALA CA C 54.14 0.15 1 2034 . 440 ALA CB C 17.37 0.15 1 2035 . 440 ALA N N 118.17 0.15 1 2036 . 441 GLN H H 7.16 0.04 1 2037 . 441 GLN C C 175.31 0.15 1 2038 . 441 GLN CA C 55.27 0.15 1 2039 . 441 GLN CB C 26.94 0.15 1 2040 . 441 GLN N N 113.64 0.15 1 2041 . 442 ALA H H 7.47 0.04 1 2042 . 442 ALA C C 179.04 0.15 1 2043 . 442 ALA CA C 49.63 0.15 1 2044 . 442 ALA CB C 18.75 0.15 1 2045 . 442 ALA N N 121.57 0.15 1 2046 . 443 ARG H H 7.10 0.04 1 2047 . 443 ARG C C 174.51 0.15 1 2048 . 443 ARG CA C 59.04 0.15 1 2049 . 443 ARG CB C 28.74 0.15 1 2050 . 443 ARG N N 119.25 0.15 1 2051 . 444 ASN H H 8.40 0.04 1 2052 . 444 ASN C C 174.08 0.15 1 2053 . 444 ASN CA C 53.11 0.15 1 2054 . 444 ASN CB C 38.90 0.15 1 2055 . 444 ASN N N 115.28 0.15 1 2056 . 445 ARG H H 8.03 0.04 1 2057 . 445 ARG C C 176.86 0.15 1 2058 . 445 ARG CA C 55.83 0.15 1 2059 . 445 ARG CB C 34.12 0.15 1 2060 . 445 ARG N N 113.38 0.15 1 2061 . 446 VAL H H 7.32 0.04 1 2062 . 446 VAL C C 173.75 0.15 1 2063 . 446 VAL CA C 63.82 0.15 1 2064 . 446 VAL CB C 30.89 0.15 1 2065 . 446 VAL N N 120.54 0.15 1 2066 . 447 ALA H H 8.29 0.04 1 2067 . 447 ALA C C 175.77 0.15 1 2068 . 447 ALA CA C 50.55 0.15 1 2069 . 447 ALA CB C 20.07 0.15 1 2070 . 447 ALA N N 125.80 0.15 1 2071 . 448 PHE H H 7.55 0.04 1 2072 . 448 PHE C C 174.07 0.15 1 2073 . 448 PHE CA C 56.42 0.15 1 2074 . 448 PHE CB C 40.46 0.15 1 2075 . 448 PHE N N 121.49 0.15 1 2076 . 449 ILE H H 8.34 0.04 1 2077 . 449 ILE C C 173.22 0.15 1 2078 . 449 ILE CA C 59.59 0.15 1 2079 . 449 ILE CB C 42.79 0.15 1 2080 . 449 ILE N N 123.61 0.15 1 2081 . 450 ASN H H 6.81 0.04 1 2082 . 450 ASN C C 172.97 0.15 1 2083 . 450 ASN CA C 51.56 0.15 1 2084 . 450 ASN CB C 40.22 0.15 1 2085 . 450 ASN N N 115.65 0.15 1 2086 . 455 ASP CA C 58.34 0.15 1 2087 . 456 ARG H H 7.70 0.04 1 2088 . 456 ARG C C 179.62 0.15 1 2089 . 456 ARG CA C 56.05 0.15 1 2090 . 456 ARG N N 116.45 0.15 1 2091 . 457 THR H H 7.62 0.04 1 2092 . 457 THR C C 176.54 0.15 1 2093 . 457 THR CA C 65.59 0.15 1 2094 . 457 THR N N 118.04 0.15 1 2095 . 458 GLY H H 7.86 0.04 1 2096 . 458 GLY C C 174.15 0.15 1 2097 . 458 GLY CA C 47.36 0.15 1 2098 . 458 GLY N N 111.69 0.15 1 2099 . 459 ASP H H 8.67 0.04 1 2100 . 459 ASP C C 181.81 0.15 1 2101 . 459 ASP CA C 57.72 0.15 1 2102 . 459 ASP CB C 43.54 0.15 1 2103 . 459 ASP N N 120.94 0.15 1 2104 . 460 GLU H H 8.02 0.04 1 2105 . 460 GLU C C 176.87 0.15 1 2106 . 460 GLU CA C 59.43 0.15 1 2107 . 460 GLU CB C 28.55 0.15 1 2108 . 460 GLU N N 123.93 0.15 1 2109 . 461 MET H H 7.67 0.04 1 2110 . 461 MET C C 177.16 0.15 1 2111 . 461 MET CA C 58.66 0.15 1 2112 . 461 MET CB C 33.18 0.15 1 2113 . 461 MET N N 112.65 0.15 1 2114 . 462 HIS H H 8.04 0.04 1 2115 . 462 HIS C C 176.87 0.15 1 2116 . 462 HIS CA C 59.82 0.15 1 2117 . 462 HIS CB C 25.99 0.15 1 2118 . 462 HIS N N 113.88 0.15 1 2119 . 463 SER C C 175.41 0.15 1 2120 . 463 SER CA C 61.52 0.15 1 2121 . 463 SER CB C 62.47 0.15 1 2122 . 464 VAL H H 7.20 0.04 1 2123 . 464 VAL C C 172.89 0.15 1 2124 . 464 VAL CA C 58.77 0.15 1 2125 . 464 VAL CB C 28.36 0.15 1 2126 . 464 VAL N N 111.52 0.15 1 2127 . 465 MET H H 6.53 0.04 1 2128 . 465 MET C C 177.03 0.15 1 2129 . 465 MET CA C 57.05 0.15 1 2130 . 465 MET CB C 31.34 0.15 1 2131 . 465 MET N N 123.55 0.15 1 2132 . 466 GLU H H 8.72 0.04 1 2133 . 466 GLU C C 175.93 0.15 1 2134 . 466 GLU CA C 55.70 0.15 1 2135 . 466 GLU CB C 30.39 0.15 1 2136 . 466 GLU N N 113.90 0.15 1 2137 . 467 ALA H H 8.56 0.04 1 2138 . 467 ALA C C 178.35 0.15 1 2139 . 467 ALA CA C 54.03 0.15 1 2140 . 467 ALA CB C 21.29 0.15 1 2141 . 467 ALA N N 119.62 0.15 1 2142 . 468 GLY H H 6.53 0.04 1 2143 . 468 GLY C C 178.28 0.15 1 2144 . 468 GLY CA C 42.50 0.15 1 2145 . 468 GLY N N 101.27 0.15 1 2146 . 469 PRO C C 176.65 0.15 1 2147 . 469 PRO CA C 60.88 0.15 1 2148 . 469 PRO CB C 31.14 0.15 1 2149 . 470 MET H H 8.91 0.04 1 2150 . 470 MET C C 177.15 0.15 1 2151 . 470 MET CA C 53.24 0.15 1 2152 . 470 MET CB C 35.07 0.15 1 2153 . 470 MET N N 122.28 0.15 1 2154 . 471 LEU H H 7.20 0.04 1 2155 . 471 LEU C C 176.71 0.15 1 2156 . 471 LEU CA C 54.85 0.15 1 2157 . 471 LEU CB C 42.06 0.15 1 2158 . 471 LEU N N 115.39 0.15 1 2159 . 472 ARG H H 8.12 0.04 1 2160 . 472 ARG C C 176.82 0.15 1 2161 . 472 ARG CA C 58.42 0.15 1 2162 . 472 ARG CB C 29.43 0.15 1 2163 . 472 ARG N N 116.98 0.15 1 2164 . 473 LYS H H 8.75 0.04 1 2165 . 473 LYS C C 179.02 0.15 1 2166 . 473 LYS CA C 61.49 0.15 1 2167 . 473 LYS CB C 31.14 0.15 1 2168 . 473 LYS N N 124.40 0.15 1 2169 . 474 ASN H H 9.45 0.04 1 2170 . 474 ASN C C 178.72 0.15 1 2171 . 474 ASN CA C 55.18 0.15 1 2172 . 474 ASN CB C 37.08 0.15 1 2173 . 474 ASN N N 113.97 0.15 1 2174 . 475 GLN H H 7.47 0.04 1 2175 . 475 GLN C C 178.48 0.15 1 2176 . 475 GLN CA C 56.78 0.15 1 2177 . 475 GLN CB C 28.13 0.15 1 2178 . 475 GLN N N 119.28 0.15 1 2179 . 476 MET H H 7.84 0.04 1 2180 . 476 MET C C 177.59 0.15 1 2181 . 476 MET CA C 56.51 0.15 1 2182 . 476 MET CB C 31.57 0.15 1 2183 . 476 MET N N 118.43 0.15 1 2184 . 477 LYS H H 7.10 0.04 1 2185 . 477 LYS C C 175.66 0.15 1 2186 . 477 LYS CA C 58.29 0.15 1 2187 . 477 LYS CB C 31.57 0.15 1 2188 . 477 LYS N N 114.07 0.15 1 2189 . 478 SER H H 7.33 0.04 1 2190 . 478 SER C C 173.85 0.15 1 2191 . 478 SER CA C 56.46 0.15 1 2192 . 478 SER CB C 62.82 0.15 1 2193 . 478 SER N N 112.96 0.15 1 2194 . 479 THR H H 6.78 0.04 1 2195 . 479 THR C C 173.72 0.15 1 2196 . 479 THR CA C 58.72 0.15 1 2197 . 479 THR CB C 69.19 0.15 1 2198 . 479 THR N N 112.10 0.15 1 2199 . 480 PRO C C 180.82 0.15 1 2200 . 480 PRO CA C 64.43 0.15 1 2201 . 480 PRO CB C 30.86 0.15 1 2202 . 481 TRP H H 8.16 0.04 1 2203 . 481 TRP C C 178.21 0.15 1 2204 . 481 TRP CA C 60.39 0.15 1 2205 . 481 TRP CB C 25.33 0.15 1 2206 . 481 TRP N N 117.28 0.15 1 2207 . 482 ILE H H 6.01 0.04 1 2208 . 482 ILE C C 177.49 0.15 1 2209 . 482 ILE CA C 64.16 0.15 1 2210 . 482 ILE CB C 35.97 0.15 1 2211 . 482 ILE N N 126.80 0.15 1 2212 . 483 LYS H H 7.05 0.04 1 2213 . 483 LYS C C 179.99 0.15 1 2214 . 483 LYS CA C 58.29 0.15 1 2215 . 483 LYS CB C 30.98 0.15 1 2216 . 483 LYS N N 123.89 0.15 1 2217 . 484 ALA H H 7.80 0.04 1 2218 . 484 ALA C C 178.75 0.15 1 2219 . 484 ALA CA C 53.76 0.15 1 2220 . 484 ALA CB C 19.27 0.15 1 2221 . 484 ALA N N 122.87 0.15 1 2222 . 485 TYR H H 8.93 0.04 1 2223 . 485 TYR C C 177.65 0.15 1 2224 . 485 TYR CA C 59.48 0.15 1 2225 . 485 TYR CB C 37.75 0.15 1 2226 . 485 TYR N N 123.04 0.15 1 2227 . 486 GLU H H 7.65 0.04 1 2228 . 486 GLU C C 178.88 0.15 1 2229 . 486 GLU CA C 58.56 0.15 1 2230 . 486 GLU CB C 28.48 0.15 1 2231 . 486 GLU N N 119.19 0.15 1 2232 . 487 ARG H H 7.40 0.04 1 2233 . 487 ARG C C 177.78 0.15 1 2234 . 487 ARG CA C 57.80 0.15 1 2235 . 487 ARG CB C 29.20 0.15 1 2236 . 487 ARG N N 120.73 0.15 1 2237 . 488 ASN H H 9.54 0.04 1 2238 . 488 ASN C C 178.10 0.15 1 2239 . 488 ASN CA C 56.46 0.15 1 2240 . 488 ASN CB C 40.01 0.15 1 2241 . 488 ASN N N 117.06 0.15 1 2242 . 489 ASN H H 7.36 0.04 1 2243 . 489 ASN C C 175.15 0.15 1 2244 . 489 ASN CA C 57.21 0.15 1 2245 . 489 ASN CB C 40.37 0.15 1 2246 . 489 ASN N N 121.16 0.15 1 2247 . 490 VAL H H 6.57 0.04 1 2248 . 490 VAL C C 178.25 0.15 1 2249 . 490 VAL CA C 65.81 0.15 1 2250 . 490 VAL CB C 31.10 0.15 1 2251 . 490 VAL N N 116.72 0.15 1 2252 . 491 LEU H H 8.52 0.04 1 2253 . 491 LEU C C 180.28 0.15 1 2254 . 491 LEU CA C 57.48 0.15 1 2255 . 491 LEU CB C 40.13 0.15 1 2256 . 491 LEU N N 115.98 0.15 1 2257 . 492 SER H H 8.57 0.04 1 2258 . 492 SER C C 175.93 0.15 1 2259 . 492 SER CA C 63.46 0.15 1 2260 . 492 SER CB C 61.75 0.15 1 2261 . 492 SER N N 115.82 0.15 1 2262 . 493 GLY H H 8.02 0.04 1 2263 . 493 GLY C C 174.82 0.15 1 2264 . 493 GLY CA C 47.70 0.15 1 2265 . 493 GLY N N 109.37 0.15 1 2266 . 494 LEU H H 8.38 0.04 1 2267 . 494 LEU C C 171.41 0.15 1 2268 . 494 LEU CA C 57.00 0.15 1 2269 . 494 LEU CB C 39.39 0.15 1 2270 . 494 LEU N N 122.18 0.15 1 2271 . 495 PHE H H 9.35 0.04 1 2272 . 495 PHE C C 176.06 0.15 1 2273 . 495 PHE CA C 60.82 0.15 1 2274 . 495 PHE CB C 39.41 0.15 1 2275 . 495 PHE N N 123.72 0.15 1 2276 . 496 CYS H H 7.38 0.04 1 2277 . 496 CYS C C 173.26 0.15 1 2278 . 496 CYS CA C 58.99 0.15 1 2279 . 496 CYS CB C 28.01 0.15 1 2280 . 496 CYS N N 113.13 0.15 1 2281 . 497 GLY H H 7.51 0.04 1 2282 . 497 GLY C C 175.93 0.15 1 2283 . 497 GLY CA C 46.17 0.15 1 2284 . 497 GLY N N 104.89 0.15 1 2285 . 498 LEU H H 7.54 0.04 1 2286 . 498 LEU C C 177.48 0.15 1 2287 . 498 LEU CA C 56.65 0.15 1 2288 . 498 LEU CB C 39.14 0.15 1 2289 . 498 LEU N N 115.19 0.15 1 2290 . 499 ARG H H 8.14 0.04 1 2291 . 499 ARG C C 177.65 0.15 1 2292 . 499 ARG CA C 58.44 0.15 1 2293 . 499 ARG CB C 29.22 0.15 1 2294 . 499 ARG N N 120.02 0.15 1 2295 . 500 GLY H H 9.04 0.04 1 2296 . 500 GLY C C 173.75 0.15 1 2297 . 500 GLY CA C 45.28 0.15 1 2298 . 500 GLY N N 116.92 0.15 1 2299 . 501 LYS H H 7.90 0.04 1 2300 . 501 LYS C C 173.59 0.15 1 2301 . 501 LYS CA C 54.90 0.15 1 2302 . 501 LYS CB C 32.92 0.15 1 2303 . 501 LYS N N 116.06 0.15 1 2304 . 502 ALA H H 7.54 0.04 1 2305 . 502 ALA C C 176.26 0.15 1 2306 . 502 ALA CA C 50.06 0.15 1 2307 . 502 ALA CB C 23.06 0.15 1 2308 . 502 ALA N N 119.42 0.15 1 2309 . 503 GLN H H 8.20 0.04 1 2310 . 503 GLN C C 174.81 0.15 1 2311 . 503 GLN CA C 54.58 0.15 1 2312 . 503 GLN CB C 29.93 0.15 1 2313 . 503 GLN N N 119.33 0.15 1 2314 . 504 ILE H H 9.08 0.04 1 2315 . 504 ILE C C 175.11 0.15 1 2316 . 504 ILE CA C 60.29 0.15 1 2317 . 504 ILE CB C 39.02 0.15 1 2318 . 504 ILE N N 123.73 0.15 1 2319 . 505 GLY H H 8.59 0.04 1 2320 . 505 GLY C C 175.93 0.15 1 2321 . 505 GLY CA C 44.00 0.15 1 2322 . 505 GLY N N 110.62 0.15 1 2323 . 506 LYS H H 7.32 0.04 1 2324 . 506 LYS C C 178.28 0.15 1 2325 . 506 LYS CA C 54.85 0.15 1 2326 . 506 LYS CB C 34.60 0.15 1 2327 . 506 LYS N N 119.42 0.15 1 2328 . 507 GLY H H 8.16 0.04 1 2329 . 507 GLY C C 172.99 0.15 1 2330 . 507 GLY CA C 45.90 0.15 1 2331 . 507 GLY N N 106.40 0.15 1 2332 . 508 MET H H 8.55 0.04 1 2333 . 508 MET C C 177.65 0.15 1 2334 . 508 MET CA C 54.20 0.15 1 2335 . 508 MET CB C 33.52 0.15 1 2336 . 508 MET N N 116.92 0.15 1 2337 . 509 TRP H H 6.86 0.04 1 2338 . 509 TRP C C 174.62 0.15 1 2339 . 509 TRP CA C 56.37 0.15 1 2340 . 509 TRP CB C 28.50 0.15 1 2341 . 509 TRP N N 126.66 0.15 1 2342 . 510 ALA H H 7.92 0.04 1 2343 . 510 ALA C C 175.63 0.15 1 2344 . 510 ALA CA C 51.91 0.15 1 2345 . 510 ALA CB C 19.11 0.15 1 2346 . 510 ALA N N 128.52 0.15 1 2347 . 511 MET H H 5.38 0.04 1 2348 . 511 MET C C 175.30 0.15 1 2349 . 511 MET CA C 53.22 0.15 1 2350 . 511 MET CB C 31.01 0.15 1 2351 . 511 MET N N 116.06 0.15 1 2352 . 512 PRO C C 175.09 0.15 1 2353 . 512 PRO CA C 64.38 0.15 1 2354 . 512 PRO CB C 31.10 0.15 1 2355 . 513 ASP H H 8.71 0.04 1 2356 . 513 ASP C C 176.79 0.15 1 2357 . 513 ASP CA C 54.14 0.15 1 2358 . 513 ASP CB C 39.77 0.15 1 2359 . 513 ASP N N 115.91 0.15 1 2360 . 514 LEU H H 7.39 0.04 1 2361 . 514 LEU C C 177.41 0.15 1 2362 . 514 LEU CA C 53.55 0.15 1 2363 . 514 LEU CB C 38.11 0.15 1 2364 . 514 LEU N N 126.63 0.15 1 2365 . 515 MET H H 7.97 0.04 1 2366 . 515 MET C C 178.27 0.15 1 2367 . 515 MET CA C 55.16 0.15 1 2368 . 515 MET CB C 35.73 0.15 1 2369 . 515 MET N N 121.67 0.15 1 2370 . 516 ALA H H 9.89 0.04 1 2371 . 516 ALA C C 181.81 0.15 1 2372 . 516 ALA CA C 55.06 0.15 1 2373 . 516 ALA CB C 15.59 0.15 1 2374 . 516 ALA N N 130.38 0.15 1 2375 . 517 ASP H H 9.28 0.04 1 2376 . 517 ASP C C 177.46 0.15 1 2377 . 517 ASP CA C 56.67 0.15 1 2378 . 517 ASP CB C 38.70 0.15 1 2379 . 517 ASP N N 121.93 0.15 1 2380 . 518 MET H H 7.15 0.04 1 2381 . 518 MET C C 179.10 0.15 1 2382 . 518 MET CA C 58.24 0.15 1 2383 . 518 MET CB C 29.32 0.15 1 2384 . 518 MET N N 122.61 0.15 1 2385 . 519 TYR H H 9.23 0.04 1 2386 . 519 TYR C C 178.62 0.15 1 2387 . 519 TYR CA C 60.55 0.15 1 2388 . 519 TYR CB C 37.75 0.15 1 2389 . 519 TYR N N 120.56 0.15 1 2390 . 520 SER H H 8.16 0.04 1 2391 . 520 SER C C 175.52 0.15 1 2392 . 520 SER CA C 60.12 0.15 1 2393 . 520 SER CB C 62.82 0.15 1 2394 . 520 SER N N 114.32 0.15 1 2395 . 521 GLN H H 7.60 0.04 1 2396 . 521 GLN C C 178.72 0.15 1 2397 . 521 GLN CA C 57.32 0.15 1 2398 . 521 GLN CB C 30.74 0.15 1 2399 . 521 GLN N N 117.66 0.15 1 2400 . 522 LYS H H 8.63 0.04 1 2401 . 522 LYS C C 176.68 0.15 1 2402 . 522 LYS CA C 59.42 0.15 1 2403 . 522 LYS CB C 33.84 0.15 1 2404 . 522 LYS N N 121.16 0.15 1 2405 . 523 GLY H H 7.51 0.04 1 2406 . 523 GLY C C 175.87 0.15 1 2407 . 523 GLY CA C 46.05 0.15 1 2408 . 523 GLY N N 106.12 0.15 1 2409 . 524 ASP H H 7.51 0.04 1 2410 . 524 ASP C C 179.21 0.15 1 2411 . 524 ASP CA C 56.78 0.15 1 2412 . 524 ASP CB C 39.30 0.15 1 2413 . 524 ASP N N 120.82 0.15 1 2414 . 525 GLN H H 7.64 0.04 1 2415 . 525 GLN C C 176.71 0.15 1 2416 . 525 GLN CA C 58.72 0.15 1 2417 . 525 GLN CB C 26.70 0.15 1 2418 . 525 GLN N N 118.59 0.15 1 2419 . 526 LEU H H 6.70 0.04 1 2420 . 526 LEU C C 180.60 0.15 1 2421 . 526 LEU CA C 56.08 0.15 1 2422 . 526 LEU CB C 39.06 0.15 1 2423 . 526 LEU N N 117.91 0.15 1 2424 . 527 ARG H H 7.33 0.04 1 2425 . 527 ARG C C 176.25 0.15 1 2426 . 527 ARG CA C 58.61 0.15 1 2427 . 527 ARG CB C 28.96 0.15 1 2428 . 527 ARG N N 118.42 0.15 1 2429 . 528 ALA H H 6.98 0.04 1 2430 . 528 ALA C C 177.03 0.15 1 2431 . 528 ALA CA C 51.28 0.15 1 2432 . 528 ALA CB C 18.08 0.15 1 2433 . 528 ALA N N 117.57 0.15 1 2434 . 529 GLY H H 7.38 0.04 1 2435 . 529 GLY C C 173.07 0.15 1 2436 . 529 GLY CA C 44.54 0.15 1 2437 . 529 GLY N N 103.75 0.15 1 2438 . 530 ALA H H 7.26 0.04 1 2439 . 530 ALA C C 176.64 0.15 1 2440 . 530 ALA CA C 51.37 0.15 1 2441 . 530 ALA CB C 18.52 0.15 1 2442 . 530 ALA N N 121.32 0.15 1 2443 . 531 ASN H H 8.94 0.04 1 2444 . 531 ASN C C 174.21 0.15 1 2445 . 531 ASN CA C 50.99 0.15 1 2446 . 531 ASN CB C 38.06 0.15 1 2447 . 531 ASN N N 113.30 0.15 1 2448 . 532 THR H H 7.71 0.04 1 2449 . 532 THR C C 171.70 0.15 1 2450 . 532 THR CA C 61.38 0.15 1 2451 . 532 THR CB C 69.21 0.15 1 2452 . 532 THR N N 112.35 0.15 1 2453 . 533 ALA H H 7.52 0.04 1 2454 . 533 ALA C C 176.23 0.15 1 2455 . 533 ALA CA C 51.42 0.15 1 2456 . 533 ALA CB C 20.19 0.15 1 2457 . 533 ALA N N 122.09 0.15 1 2458 . 534 TRP H H 6.72 0.04 1 2459 . 534 TRP C C 176.80 0.15 1 2460 . 534 TRP CA C 54.74 0.15 1 2461 . 534 TRP CB C 29.46 0.15 1 2462 . 534 TRP N N 119.76 0.15 1 2463 . 535 VAL H H 8.14 0.04 1 2464 . 535 VAL C C 176.47 0.15 1 2465 . 535 VAL CA C 56.65 0.15 1 2466 . 535 VAL CB C 33.52 0.15 1 2467 . 535 VAL N N 113.72 0.15 1 2468 . 536 PRO C C 175.09 0.15 1 2469 . 536 PRO CA C 63.85 0.15 1 2470 . 536 PRO CB C 31.82 0.15 1 2471 . 537 SER H H 6.95 0.04 1 2472 . 537 SER C C 172.75 0.15 1 2473 . 537 SER CA C 54.90 0.15 1 2474 . 537 SER CB C 64.18 0.15 1 2475 . 537 SER N N 113.27 0.15 1 2476 . 539 THR C C 175.23 0.15 1 2477 . 539 THR CA C 66.51 0.15 1 2478 . 539 THR CB C 67.88 0.15 1 2479 . 540 ALA H H 7.84 0.04 1 2480 . 540 ALA C C 179.37 0.15 1 2481 . 540 ALA CA C 54.14 0.15 1 2482 . 540 ALA CB C 18.32 0.15 1 2483 . 540 ALA N N 121.55 0.15 1 2484 . 541 ALA H H 8.27 0.04 1 2485 . 541 ALA C C 177.49 0.15 1 2486 . 541 ALA CA C 55.43 0.15 1 2487 . 541 ALA CB C 16.30 0.15 1 2488 . 541 ALA N N 120.82 0.15 1 2489 . 542 THR H H 8.16 0.04 1 2490 . 542 THR C C 173.05 0.15 1 2491 . 542 THR CA C 65.92 0.15 1 2492 . 542 THR CB C 67.05 0.15 1 2493 . 542 THR N N 117.31 0.15 1 2494 . 543 LEU H H 7.10 0.04 1 2495 . 543 LEU C C 178.30 0.15 1 2496 . 543 LEU CA C 55.99 0.15 1 2497 . 543 LEU CB C 40.70 0.15 1 2498 . 543 LEU N N 114.89 0.15 1 2499 . 544 HIS H H 8.88 0.04 1 2500 . 544 HIS C C 177.62 0.15 1 2501 . 544 HIS CA C 55.45 0.15 1 2502 . 544 HIS CB C 29.10 0.15 1 2503 . 544 HIS N N 117.35 0.15 1 2504 . 545 ALA H H 8.18 0.04 1 2505 . 545 ALA C C 179.58 0.15 1 2506 . 545 ALA CA C 55.39 0.15 1 2507 . 545 ALA CB C 16.24 0.15 1 2508 . 545 ALA N N 123.13 0.15 1 2509 . 546 LEU H H 7.14 0.04 1 2510 . 546 LEU C C 180.81 0.15 1 2511 . 546 LEU CA C 57.41 0.15 1 2512 . 546 LEU CB C 39.02 0.15 1 2513 . 546 LEU N N 112.35 0.15 1 2514 . 547 HIS H H 7.89 0.04 1 2515 . 547 HIS C C 178.17 0.15 1 2516 . 547 HIS CA C 59.64 0.15 1 2517 . 547 HIS CB C 29.58 0.15 1 2518 . 547 HIS N N 117.61 0.15 1 2519 . 548 TYR H H 7.79 0.04 1 2520 . 548 TYR C C 176.37 0.15 1 2521 . 548 TYR CA C 58.82 0.15 1 2522 . 548 TYR CB C 35.91 0.15 1 2523 . 548 TYR N N 119.68 0.15 1 2524 . 549 HIS H H 7.27 0.04 1 2525 . 549 HIS C C 176.37 0.15 1 2526 . 549 HIS CA C 58.93 0.15 1 2527 . 549 HIS CB C 31.97 0.15 1 2528 . 549 HIS N N 116.57 0.15 1 2529 . 550 GLN H H 7.21 0.04 1 2530 . 550 GLN C C 176.26 0.15 1 2531 . 550 GLN CA C 56.70 0.15 1 2532 . 550 GLN CB C 28.86 0.15 1 2533 . 550 GLN N N 118.56 0.15 1 2534 . 551 THR H H 7.73 0.04 1 2535 . 551 THR C C 171.00 0.15 1 2536 . 551 THR CA C 61.24 0.15 1 2537 . 551 THR CB C 69.21 0.15 1 2538 . 551 THR N N 118.04 0.15 1 2539 . 552 ASN H H 8.35 0.04 1 2540 . 552 ASN C C 175.96 0.15 1 2541 . 552 ASN CA C 50.99 0.15 1 2542 . 552 ASN CB C 36.39 0.15 1 2543 . 552 ASN N N 122.22 0.15 1 2544 . 553 VAL H H 8.90 0.04 1 2545 . 553 VAL C C 177.54 0.15 1 2546 . 553 VAL CA C 64.48 0.15 1 2547 . 553 VAL CB C 30.17 0.15 1 2548 . 553 VAL N N 124.68 0.15 1 2549 . 554 GLN H H 7.91 0.04 1 2550 . 554 GLN C C 179.97 0.15 1 2551 . 554 GLN CA C 58.11 0.15 1 2552 . 554 GLN CB C 26.11 0.15 1 2553 . 554 GLN N N 119.07 0.15 1 2554 . 555 SER H H 7.46 0.04 1 2555 . 555 SER C C 176.42 0.15 1 2556 . 555 SER CA C 60.12 0.15 1 2557 . 555 SER CB C 61.86 0.15 1 2558 . 555 SER N N 116.40 0.15 1 2559 . 556 VAL H H 7.92 0.04 1 2560 . 556 VAL C C 179.31 0.15 1 2561 . 556 VAL CA C 66.19 0.15 1 2562 . 556 VAL CB C 30.29 0.15 1 2563 . 556 VAL N N 123.47 0.15 1 2564 . 557 GLN H H 8.23 0.04 1 2565 . 557 GLN C C 178.00 0.15 1 2566 . 557 GLN CA C 60.02 0.15 1 2567 . 557 GLN CB C 27.18 0.15 1 2568 . 557 GLN N N 116.06 0.15 1 2569 . 558 ALA H H 7.79 0.04 1 2570 . 558 ALA C C 179.45 0.15 1 2571 . 558 ALA CA C 54.66 0.15 1 2572 . 558 ALA CB C 17.08 0.15 1 2573 . 558 ALA N N 120.54 0.15 1 2574 . 559 ASN H H 8.04 0.04 1 2575 . 559 ASN C C 178.79 0.15 1 2576 . 559 ASN CA C 55.56 0.15 1 2577 . 559 ASN CB C 37.35 0.15 1 2578 . 559 ASN N N 117.09 0.15 1 2579 . 560 ILE H H 7.95 0.04 1 2580 . 560 ILE C C 178.60 0.15 1 2581 . 560 ILE CA C 64.86 0.15 1 2582 . 560 ILE CB C 37.11 0.15 1 2583 . 560 ILE N N 121.32 0.15 1 2584 . 561 ALA H H 8.02 0.04 1 2585 . 561 ALA C C 177.05 0.15 1 2586 . 561 ALA CA C 53.44 0.15 1 2587 . 561 ALA CB C 17.20 0.15 1 2588 . 561 ALA N N 120.11 0.15 1 2589 . 562 GLN H H 7.31 0.04 1 2590 . 562 GLN C C 176.45 0.15 1 2591 . 562 GLN CA C 55.37 0.15 1 2592 . 562 GLN CB C 27.90 0.15 1 2593 . 562 GLN N N 115.45 0.15 1 2594 . 563 THR H H 7.68 0.04 1 2595 . 563 THR C C 174.16 0.15 1 2596 . 563 THR CA C 61.05 0.15 1 2597 . 563 THR CB C 70.77 0.15 1 2598 . 563 THR N N 113.64 0.15 1 2599 . 564 GLU H H 8.44 0.04 1 2600 . 564 GLU C C 177.73 0.15 1 2601 . 564 GLU CA C 54.66 0.15 1 2602 . 564 GLU CB C 26.47 0.15 1 2603 . 564 GLU N N 123.82 0.15 1 2604 . 565 PHE H H 7.88 0.04 1 2605 . 565 PHE C C 176.83 0.15 1 2606 . 565 PHE CA C 58.77 0.15 1 2607 . 565 PHE CB C 36.99 0.15 1 2608 . 565 PHE N N 121.92 0.15 1 2609 . 566 ASN H H 8.27 0.04 1 2610 . 566 ASN C C 177.32 0.15 1 2611 . 566 ASN CA C 55.34 0.15 1 2612 . 566 ASN CB C 36.75 0.15 1 2613 . 566 ASN N N 120.37 0.15 1 2614 . 567 ALA H H 7.72 0.04 1 2615 . 567 ALA C C 178.44 0.15 1 2616 . 567 ALA CA C 53.00 0.15 1 2617 . 567 ALA CB C 17.56 0.15 1 2618 . 567 ALA N N 121.06 0.15 1 2619 . 568 GLU H H 7.79 0.04 1 2620 . 568 GLU C C 177.81 0.15 1 2621 . 568 GLU CA C 57.19 0.15 1 2622 . 568 GLU CB C 29.34 0.15 1 2623 . 568 GLU N N 115.88 0.15 1 2624 . 569 PHE H H 7.14 0.04 1 2625 . 569 PHE C C 178.11 0.15 1 2626 . 569 PHE CA C 63.17 0.15 1 2627 . 569 PHE CB C 37.23 0.15 1 2628 . 569 PHE N N 115.36 0.15 1 2629 . 570 GLU H H 8.52 0.04 1 2630 . 570 GLU C C 175.79 0.15 1 2631 . 570 GLU CA C 60.45 0.15 1 2632 . 570 GLU CB C 25.33 0.15 1 2633 . 570 GLU N N 119.90 0.15 1 2634 . 571 PRO C C 179.85 0.15 1 2635 . 571 PRO CA C 65.62 0.15 1 2636 . 571 PRO CB C 29.32 0.15 1 2637 . 572 LEU H H 8.06 0.04 1 2638 . 572 LEU C C 178.70 0.15 1 2639 . 572 LEU CA C 57.37 0.15 1 2640 . 572 LEU CB C 41.44 0.15 1 2641 . 572 LEU N N 117.48 0.15 1 2642 . 573 LEU H H 7.92 0.04 1 2643 . 573 LEU C C 177.97 0.15 1 2644 . 573 LEU CA C 57.75 0.15 1 2645 . 573 LEU CB C 39.77 0.15 1 2646 . 573 LEU N N 122.61 0.15 1 2647 . 574 ASP H H 7.77 0.04 1 2648 . 574 ASP C C 180.31 0.15 1 2649 . 574 ASP CA C 57.43 0.15 1 2650 . 574 ASP CB C 38.94 0.15 1 2651 . 574 ASP N N 118.42 0.15 1 2652 . 575 ASP H H 7.96 0.04 1 2653 . 575 ASP C C 179.21 0.15 1 2654 . 575 ASP CA C 57.10 0.15 1 2655 . 575 ASP CB C 40.13 0.15 1 2656 . 575 ASP N N 123.21 0.15 1 2657 . 576 LEU H H 8.72 0.04 1 2658 . 576 LEU C C 178.24 0.15 1 2659 . 576 LEU CA C 57.75 0.15 1 2660 . 576 LEU CB C 41.67 0.15 1 2661 . 576 LEU N N 121.93 0.15 1 2662 . 577 LEU H H 7.48 0.04 1 2663 . 577 LEU C C 174.37 0.15 1 2664 . 577 LEU CA C 53.87 0.15 1 2665 . 577 LEU CB C 39.89 0.15 1 2666 . 577 LEU N N 117.40 0.15 1 2667 . 578 THR H H 7.50 0.04 1 2668 . 578 THR C C 173.91 0.15 1 2669 . 578 THR CA C 61.31 0.15 1 2670 . 578 THR CB C 67.16 0.15 1 2671 . 578 THR N N 117.66 0.15 1 2672 . 579 ILE H H 7.63 0.04 1 2673 . 579 ILE C C 176.95 0.15 1 2674 . 579 ILE CA C 58.51 0.15 1 2675 . 579 ILE CB C 36.45 0.15 1 2676 . 579 ILE N N 123.72 0.15 1 2677 . 580 PRO C C 173.94 0.15 1 2678 . 580 PRO CA C 62.68 0.15 1 2679 . 580 PRO CB C 27.65 0.15 1 2680 . 581 VAL H H 7.44 0.04 1 2681 . 581 VAL C C 174.96 0.15 1 2682 . 581 VAL CA C 59.15 0.15 1 2683 . 581 VAL CB C 32.64 0.15 1 2684 . 581 VAL N N 116.85 0.15 1 2685 . 582 ALA H H 8.79 0.04 1 2686 . 582 ALA C C 176.33 0.15 1 2687 . 582 ALA CA C 50.80 0.15 1 2688 . 582 ALA CB C 18.56 0.15 1 2689 . 582 ALA N N 128.68 0.15 1 2690 . 583 GLU H H 8.23 0.04 1 2691 . 583 GLU C C 175.79 0.15 1 2692 . 583 GLU CA C 56.84 0.15 1 2693 . 583 GLU CB C 29.43 0.15 1 2694 . 583 GLU N N 124.23 0.15 1 2695 . 584 ASN C C 173.61 0.15 1 2696 . 584 ASN CA C 52.20 0.15 1 2697 . 584 ASN CB C 37.87 0.15 1 2698 . 585 ALA H H 7.94 0.04 1 2699 . 585 ALA C C 176.84 0.15 1 2700 . 585 ALA CA C 51.18 0.15 1 2701 . 585 ALA CB C 16.42 0.15 1 2702 . 585 ALA N N 124.75 0.15 1 2703 . 586 ASN H H 7.45 0.04 1 2704 . 586 ASN C C 174.82 0.15 1 2705 . 586 ASN CA C 51.82 0.15 1 2706 . 586 ASN CB C 37.16 0.15 1 2707 . 586 ASN N N 119.96 0.15 1 2708 . 587 TRP H H 6.88 0.04 1 2709 . 587 TRP C C 176.36 0.15 1 2710 . 587 TRP CA C 58.13 0.15 1 2711 . 587 TRP CB C 28.48 0.15 1 2712 . 587 TRP N N 119.62 0.15 1 2713 . 588 SER H H 9.20 0.04 1 2714 . 588 SER C C 174.69 0.15 1 2715 . 588 SER CA C 56.73 0.15 1 2716 . 588 SER CB C 64.79 0.15 1 2717 . 588 SER N N 119.71 0.15 1 2718 . 589 ALA H H 8.89 0.04 1 2719 . 589 ALA C C 180.63 0.15 1 2720 . 589 ALA CA C 55.06 0.15 1 2721 . 589 ALA CB C 16.78 0.15 1 2722 . 589 ALA N N 123.72 0.15 1 2723 . 590 GLN H H 8.34 0.04 1 2724 . 590 GLN C C 178.27 0.15 1 2725 . 590 GLN CA C 58.72 0.15 1 2726 . 590 GLN CB C 27.30 0.15 1 2727 . 590 GLN N N 117.14 0.15 1 2728 . 591 GLU H H 7.75 0.04 1 2729 . 591 GLU C C 178.43 0.15 1 2730 . 591 GLU CA C 59.26 0.15 1 2731 . 591 GLU CB C 29.67 0.15 1 2732 . 591 GLU N N 122.35 0.15 1 2733 . 592 ILE H H 8.11 0.04 1 2734 . 592 ILE C C 177.22 0.15 1 2735 . 592 ILE CA C 64.76 0.15 1 2736 . 592 ILE CB C 37.51 0.15 1 2737 . 592 ILE N N 119.53 0.15 1 2738 . 593 GLN H H 7.91 0.04 1 2739 . 593 GLN C C 177.16 0.15 1 2740 . 593 GLN CA C 57.70 0.15 1 2741 . 593 GLN CB C 27.65 0.15 1 2742 . 593 GLN N N 118.85 0.15 1 2743 . 594 GLN H H 8.07 0.04 1 2744 . 594 GLN C C 178.59 0.15 1 2745 . 594 GLN CA C 58.34 0.15 1 2746 . 594 GLN CB C 27.89 0.15 1 2747 . 594 GLN N N 117.83 0.15 1 2748 . 595 GLU H H 7.95 0.04 1 2749 . 595 GLU C C 177.86 0.15 1 2750 . 595 GLU CA C 58.08 0.15 1 2751 . 595 GLU CB C 28.25 0.15 1 2752 . 595 GLU N N 122.44 0.15 1 2753 . 596 LEU H H 8.24 0.04 1 2754 . 596 LEU C C 177.32 0.15 1 2755 . 596 LEU CA C 57.91 0.15 1 2756 . 596 LEU CB C 40.37 0.15 1 2757 . 596 LEU N N 119.11 0.15 1 2758 . 597 ASP H H 8.80 0.04 1 2759 . 597 ASP C C 178.27 0.15 1 2760 . 597 ASP CA C 57.32 0.15 1 2761 . 597 ASP CB C 38.82 0.15 1 2762 . 597 ASP N N 118.17 0.15 1 2763 . 598 ASN H H 7.90 0.04 1 2764 . 598 ASN C C 178.67 0.15 1 2765 . 598 ASN CA C 56.46 0.15 1 2766 . 598 ASN CB C 38.23 0.15 1 2767 . 598 ASN N N 116.72 0.15 1 2768 . 599 ASN H H 8.02 0.04 1 2769 . 599 ASN C C 176.87 0.15 1 2770 . 599 ASN CA C 55.81 0.15 1 2771 . 599 ASN CB C 37.87 0.15 1 2772 . 599 ASN N N 120.47 0.15 1 2773 . 600 VAL H H 9.22 0.04 1 2774 . 600 VAL C C 177.65 0.15 1 2775 . 600 VAL CA C 66.73 0.15 1 2776 . 600 VAL CB C 30.77 0.15 1 2777 . 600 VAL N N 122.01 0.15 1 2778 . 601 GLN H H 8.95 0.04 1 2779 . 601 GLN C C 178.74 0.15 1 2780 . 601 GLN CA C 61.05 0.15 1 2781 . 601 GLN CB C 25.21 0.15 1 2782 . 601 GLN N N 121.14 0.15 1 2783 . 602 GLY H H 7.75 0.04 1 2784 . 602 GLY C C 176.69 0.15 1 2785 . 602 GLY CA C 45.90 0.15 1 2786 . 602 GLY N N 105.97 0.15 1 2787 . 603 ILE H H 7.64 0.04 1 2788 . 603 ILE C C 177.48 0.15 1 2789 . 603 ILE CA C 63.82 0.15 1 2790 . 603 ILE CB C 37.47 0.15 1 2791 . 603 ILE N N 121.75 0.15 1 2792 . 604 LEU H H 8.66 0.04 1 2793 . 604 LEU C C 178.44 0.15 1 2794 . 604 LEU CA C 57.52 0.15 1 2795 . 604 LEU CB C 43.45 0.15 1 2796 . 604 LEU N N 118.99 0.15 1 2797 . 605 GLY H H 8.79 0.04 1 2798 . 605 GLY C C 174.68 0.15 1 2799 . 605 GLY CA C 46.72 0.15 1 2800 . 605 GLY N N 104.85 0.15 1 2801 . 606 TYR H H 7.06 0.04 1 2802 . 606 TYR C C 179.12 0.15 1 2803 . 606 TYR CA C 60.40 0.15 1 2804 . 606 TYR CB C 38.66 0.15 1 2805 . 606 TYR N N 118.04 0.15 1 2806 . 607 VAL H H 9.45 0.04 1 2807 . 607 VAL C C 177.62 0.15 1 2808 . 607 VAL CA C 66.25 0.15 1 2809 . 607 VAL CB C 29.93 0.15 1 2810 . 607 VAL N N 120.54 0.15 1 2811 . 608 VAL H H 8.46 0.04 1 2812 . 608 VAL C C 177.48 0.15 1 2813 . 608 VAL CA C 64.91 0.15 1 2814 . 608 VAL CB C 29.22 0.15 1 2815 . 608 VAL N N 120.37 0.15 1 2816 . 609 ARG H H 6.22 0.04 1 2817 . 609 ARG C C 177.48 0.15 1 2818 . 609 ARG CA C 58.44 0.15 1 2819 . 609 ARG CB C 28.26 0.15 1 2820 . 609 ARG N N 121.75 0.15 1 2821 . 610 TRP H H 7.58 0.04 1 2822 . 610 TRP C C 178.90 0.15 1 2823 . 610 TRP CA C 62.00 0.15 1 2824 . 610 TRP CB C 31.73 0.15 1 2825 . 610 TRP N N 125.20 0.15 1 2826 . 611 VAL H H 9.22 0.04 1 2827 . 611 VAL C C 176.80 0.15 1 2828 . 611 VAL CA C 66.14 0.15 1 2829 . 611 VAL CB C 31.73 0.15 1 2830 . 611 VAL N N 114.94 0.15 1 2831 . 612 GLU H H 7.54 0.04 1 2832 . 612 GLU C C 177.48 0.15 1 2833 . 612 GLU CA C 58.33 0.15 1 2834 . 612 GLU CB C 27.66 0.15 1 2835 . 612 GLU N N 112.61 0.15 1 2836 . 613 GLN C C 175.95 0.15 1 2837 . 613 GLN CA C 54.84 0.15 1 2838 . 613 GLN CB C 31.10 0.15 1 2839 . 614 GLY H H 7.12 0.04 1 2840 . 614 GLY C C 173.53 0.15 1 2841 . 614 GLY CA C 45.81 0.15 1 2842 . 614 GLY N N 110.39 0.15 1 2843 . 615 ILE H H 7.38 0.04 1 2844 . 615 ILE C C 174.07 0.15 1 2845 . 615 ILE CA C 59.96 0.15 1 2846 . 615 ILE CB C 39.30 0.15 1 2847 . 615 ILE N N 121.58 0.15 1 2848 . 616 GLY H H 8.40 0.04 1 2849 . 616 GLY C C 173.24 0.15 1 2850 . 616 GLY CA C 43.98 0.15 1 2851 . 616 GLY N N 111.75 0.15 1 2852 . 617 CYS H H 6.75 0.04 1 2853 . 617 CYS C C 172.56 0.15 1 2854 . 617 CYS CA C 58.29 0.15 1 2855 . 617 CYS CB C 27.30 0.15 1 2856 . 617 CYS N N 120.91 0.15 1 2857 . 618 SER H H 9.58 0.04 1 2858 . 618 SER C C 171.20 0.15 1 2859 . 618 SER CA C 58.35 0.15 1 2860 . 618 SER CB C 62.82 0.15 1 2861 . 618 SER N N 125.91 0.15 1 2862 . 619 LYS H H 8.20 0.04 1 2863 . 619 LYS C C 175.15 0.15 1 2864 . 619 LYS CA C 55.81 0.15 1 2865 . 619 LYS CB C 30.39 0.15 1 2866 . 619 LYS N N 116.32 0.15 1 2867 . 620 VAL H H 9.05 0.04 1 2868 . 620 VAL C C 174.74 0.15 1 2869 . 620 VAL CA C 59.15 0.15 1 2870 . 620 VAL CB C 33.35 0.15 1 2871 . 620 VAL N N 131.92 0.15 1 2872 . 621 PRO C C 177.81 0.15 1 2873 . 621 PRO CA C 61.25 0.15 1 2874 . 621 PRO CB C 30.74 0.15 1 2875 . 622 ASP H H 8.86 0.04 1 2876 . 622 ASP C C 178.88 0.15 1 2877 . 622 ASP CA C 52.04 0.15 1 2878 . 622 ASP CB C 39.77 0.15 1 2879 . 622 ASP N N 126.84 0.15 1 2880 . 623 ILE H H 7.50 0.04 1 2881 . 623 ILE C C 174.82 0.15 1 2882 . 623 ILE CA C 63.68 0.15 1 2883 . 623 ILE CB C 37.99 0.15 1 2884 . 623 ILE N N 118.08 0.15 1 2885 . 624 HIS H H 8.06 0.04 1 2886 . 624 HIS C C 174.28 0.15 1 2887 . 624 HIS CA C 54.25 0.15 1 2888 . 624 HIS CB C 28.36 0.15 1 2889 . 624 HIS N N 120.56 0.15 1 2890 . 625 ASN H H 8.19 0.04 1 2891 . 625 ASN C C 173.99 0.15 1 2892 . 625 ASN CA C 54.73 0.15 1 2893 . 625 ASN CB C 36.33 0.15 1 2894 . 625 ASN N N 114.58 0.15 1 2895 . 626 VAL H H 8.71 0.04 1 2896 . 626 VAL C C 175.74 0.15 1 2897 . 626 VAL CA C 62.46 0.15 1 2898 . 626 VAL CB C 30.27 0.15 1 2899 . 626 VAL N N 124.92 0.15 1 2900 . 627 ALA H H 8.64 0.04 1 2901 . 627 ALA C C 176.09 0.15 1 2902 . 627 ALA CA C 51.91 0.15 1 2903 . 627 ALA CB C 18.04 0.15 1 2904 . 627 ALA N N 129.25 0.15 1 2905 . 628 LEU H H 8.44 0.04 1 2906 . 628 LEU C C 177.97 0.15 1 2907 . 628 LEU CA C 52.56 0.15 1 2908 . 628 LEU CB C 43.69 0.15 1 2909 . 628 LEU N N 124.77 0.15 1 2910 . 629 MET H H 9.17 0.04 1 2911 . 629 MET C C 173.59 0.15 1 2912 . 629 MET CA C 54.20 0.15 1 2913 . 629 MET CB C 33.76 0.15 1 2914 . 629 MET N N 127.01 0.15 1 2915 . 630 GLU H H 9.26 0.04 1 2916 . 630 GLU C C 174.78 0.15 1 2917 . 630 GLU CA C 53.41 0.15 1 2918 . 630 GLU CB C 32.21 0.15 1 2919 . 630 GLU N N 123.90 0.15 1 2920 . 631 ASP H H 7.18 0.04 1 2921 . 631 ASP C C 175.63 0.15 1 2922 . 631 ASP CA C 51.21 0.15 1 2923 . 631 ASP CB C 40.94 0.15 1 2924 . 631 ASP N N 119.25 0.15 1 2925 . 632 ARG H H 7.38 0.04 1 2926 . 632 ARG C C 175.22 0.15 1 2927 . 632 ARG CA C 58.38 0.15 1 2928 . 632 ARG CB C 29.82 0.15 1 2929 . 632 ARG N N 115.37 0.15 1 2930 . 633 ALA H H 7.61 0.04 1 2931 . 633 ALA C C 179.56 0.15 1 2932 . 633 ALA CA C 54.47 0.15 1 2933 . 633 ALA CB C 19.35 0.15 1 2934 . 633 ALA N N 123.47 0.15 1 2935 . 634 THR H H 8.21 0.04 1 2936 . 634 THR C C 175.52 0.15 1 2937 . 634 THR CA C 63.80 0.15 1 2938 . 634 THR CB C 67.78 0.15 1 2939 . 634 THR N N 113.99 0.15 1 2940 . 635 LEU H H 7.80 0.04 1 2941 . 635 LEU C C 179.92 0.15 1 2942 . 635 LEU CA C 55.30 0.15 1 2943 . 635 LEU CB C 42.06 0.15 1 2944 . 635 LEU N N 118.57 0.15 1 2945 . 636 ARG H H 7.14 0.04 1 2946 . 636 ARG CB C 29.45 0.15 1 2947 . 636 ARG N N 124.59 0.15 1 2948 . 639 SER C C 175.90 0.15 1 2949 . 639 SER CA C 62.68 0.15 1 2950 . 640 GLN H H 7.39 0.04 1 2951 . 640 GLN C C 176.49 0.15 1 2952 . 640 GLN CA C 57.38 0.15 1 2953 . 640 GLN CB C 28.13 0.15 1 2954 . 640 GLN N N 119.19 0.15 1 2955 . 641 HIS H H 7.69 0.04 1 2956 . 641 HIS C C 176.41 0.15 1 2957 . 641 HIS CA C 62.92 0.15 1 2958 . 641 HIS CB C 30.50 0.15 1 2959 . 641 HIS N N 120.78 0.15 1 2960 . 642 ILE H H 7.35 0.04 1 2961 . 642 ILE C C 178.48 0.15 1 2962 . 642 ILE CA C 64.33 0.15 1 2963 . 642 ILE CB C 37.51 0.15 1 2964 . 642 ILE N N 115.95 0.15 1 2965 . 643 ALA H H 8.34 0.04 1 2966 . 643 ALA C C 180.28 0.15 1 2967 . 643 ALA CA C 54.73 0.15 1 2968 . 643 ALA CB C 16.66 0.15 1 2969 . 643 ALA N N 119.45 0.15 1 2970 . 644 ASN H H 8.11 0.04 1 2971 . 644 ASN C C 176.54 0.15 1 2972 . 644 ASN CA C 57.32 0.15 1 2973 . 644 ASN CB C 39.53 0.15 1 2974 . 644 ASN N N 119.28 0.15 1 2975 . 645 TRP H H 8.58 0.04 1 2976 . 645 TRP C C 180.23 0.15 1 2977 . 645 TRP CA C 60.50 0.15 1 2978 . 645 TRP CB C 27.89 0.15 1 2979 . 645 TRP N N 123.72 0.15 1 2980 . 646 LEU H H 9.00 0.04 1 2981 . 646 LEU C C 179.82 0.15 1 2982 . 646 LEU CA C 57.48 0.15 1 2983 . 646 LEU CB C 41.91 0.15 1 2984 . 646 LEU N N 122.70 0.15 1 2985 . 647 ARG H H 8.33 0.04 1 2986 . 647 ARG C C 178.53 0.15 1 2987 . 647 ARG CA C 57.80 0.15 1 2988 . 647 ARG CB C 27.65 0.15 1 2989 . 647 ARG N N 123.89 0.15 1 2990 . 648 HIS H H 7.73 0.04 1 2991 . 648 HIS C C 174.85 0.15 1 2992 . 648 HIS CA C 56.19 0.15 1 2993 . 648 HIS CB C 30.39 0.15 1 2994 . 648 HIS N N 115.01 0.15 1 2995 . 649 GLY H H 7.65 0.04 1 2996 . 649 GLY C C 174.12 0.15 1 2997 . 649 GLY CA C 46.21 0.15 1 2998 . 649 GLY N N 107.92 0.15 1 2999 . 650 ILE H H 8.40 0.04 1 3000 . 650 ILE C C 176.09 0.15 1 3001 . 650 ILE CA C 60.23 0.15 1 3002 . 650 ILE CB C 35.26 0.15 1 3003 . 650 ILE N N 120.73 0.15 1 3004 . 651 LEU H H 6.72 0.04 1 3005 . 651 LEU C C 176.30 0.15 1 3006 . 651 LEU CA C 51.16 0.15 1 3007 . 651 LEU CB C 45.95 0.15 1 3008 . 651 LEU N N 114.26 0.15 1 3009 . 652 THR H H 7.61 0.04 1 3010 . 652 THR C C 175.66 0.15 1 3011 . 652 THR CA C 58.55 0.15 1 3012 . 652 THR CB C 71.01 0.15 1 3013 . 652 THR N N 108.04 0.15 1 3014 . 653 LYS H H 9.05 0.04 1 3015 . 653 LYS C C 178.11 0.15 1 3016 . 653 LYS CA C 60.23 0.15 1 3017 . 653 LYS CB C 30.77 0.15 1 3018 . 653 LYS N N 123.21 0.15 1 3019 . 654 GLU H H 9.03 0.04 1 3020 . 654 GLU C C 179.37 0.15 1 3021 . 654 GLU CA C 59.80 0.15 1 3022 . 654 GLU CB C 27.43 0.15 1 3023 . 654 GLU N N 118.81 0.15 1 3024 . 655 GLN H H 7.86 0.04 1 3025 . 655 GLN C C 179.53 0.15 1 3026 . 655 GLN CA C 58.06 0.15 1 3027 . 655 GLN CB C 28.02 0.15 1 3028 . 655 GLN N N 122.52 0.15 1 3029 . 656 VAL H H 8.04 0.04 1 3030 . 656 VAL C C 177.16 0.15 1 3031 . 656 VAL CA C 66.41 0.15 1 3032 . 656 VAL CB C 30.17 0.15 1 3033 . 656 VAL N N 121.75 0.15 1 3034 . 657 GLN H H 8.89 0.04 1 3035 . 657 GLN C C 177.65 0.15 1 3036 . 657 GLN CA C 58.77 0.15 1 3037 . 657 GLN CB C 26.95 0.15 1 3038 . 657 GLN N N 120.71 0.15 1 3039 . 658 ALA H H 7.89 0.04 1 3040 . 658 ALA C C 179.66 0.15 1 3041 . 658 ALA CA C 54.47 0.15 1 3042 . 658 ALA CB C 16.72 0.15 1 3043 . 658 ALA N N 119.94 0.15 1 3044 . 659 SER H H 7.59 0.04 1 3045 . 659 SER C C 177.57 0.15 1 3046 . 659 SER CA C 61.41 0.15 1 3047 . 659 SER CB C 62.93 0.15 1 3048 . 659 SER N N 114.41 0.15 1 3049 . 660 LEU H H 8.59 0.04 1 3050 . 660 LEU C C 178.60 0.15 1 3051 . 660 LEU CA C 58.44 0.15 1 3052 . 660 LEU CB C 41.05 0.15 1 3053 . 660 LEU N N 120.97 0.15 1 3054 . 661 GLU H H 7.72 0.04 1 3055 . 661 GLU C C 179.20 0.15 1 3056 . 661 GLU CA C 59.26 0.15 1 3057 . 661 GLU CB C 28.26 0.15 1 3058 . 661 GLU N N 116.14 0.15 1 3059 . 662 ASN H H 8.48 0.04 1 3060 . 662 ASN C C 179.50 0.15 1 3061 . 662 ASN CA C 55.72 0.15 1 3062 . 662 ASN CB C 38.06 0.15 1 3063 . 662 ASN N N 117.95 0.15 1 3064 . 663 MET H H 9.92 0.04 1 3065 . 663 MET C C 179.17 0.15 1 3066 . 663 MET CA C 55.12 0.15 1 3067 . 663 MET CB C 33.16 0.15 1 3068 . 663 MET N N 119.42 0.15 1 3069 . 664 ALA H H 8.21 0.04 1 3070 . 664 ALA C C 178.11 0.15 1 3071 . 664 ALA CA C 55.83 0.15 1 3072 . 664 ALA CB C 17.08 0.15 1 3073 . 664 ALA N N 124.25 0.15 1 3074 . 665 LYS H H 6.99 0.04 1 3075 . 665 LYS C C 179.31 0.15 1 3076 . 665 LYS CA C 59.15 0.15 1 3077 . 665 LYS CB C 31.25 0.15 1 3078 . 665 LYS N N 114.94 0.15 1 3079 . 666 VAL H H 6.96 0.04 1 3080 . 666 VAL C C 178.06 0.15 1 3081 . 666 VAL CA C 65.62 0.15 1 3082 . 666 VAL CB C 30.89 0.15 1 3083 . 666 VAL N N 121.23 0.15 1 3084 . 667 VAL H H 8.26 0.04 1 3085 . 667 VAL C C 179.37 0.15 1 3086 . 667 VAL CA C 65.35 0.15 1 3087 . 667 VAL CB C 30.77 0.15 1 3088 . 667 VAL N N 122.01 0.15 1 3089 . 668 ASP H H 8.94 0.04 1 3090 . 668 ASP C C 179.86 0.15 1 3091 . 668 ASP CA C 56.81 0.15 1 3092 . 668 ASP CB C 39.26 0.15 1 3093 . 668 ASP N N 122.18 0.15 1 3094 . 669 GLN H H 7.73 0.04 1 3095 . 669 GLN C C 179.37 0.15 1 3096 . 669 GLN CA C 58.33 0.15 1 3097 . 669 GLN CB C 26.95 0.15 1 3098 . 669 GLN N N 120.63 0.15 1 3099 . 670 GLN H H 8.14 0.04 1 3100 . 670 GLN C C 177.13 0.15 1 3101 . 670 GLN CA C 57.52 0.15 1 3102 . 670 GLN CB C 27.30 0.15 1 3103 . 670 GLN N N 119.50 0.15 1 3104 . 671 ASN H H 7.15 0.04 1 3105 . 671 ASN C C 173.75 0.15 1 3106 . 671 ASN CA C 53.16 0.15 1 3107 . 671 ASN CB C 38.42 0.15 1 3108 . 671 ASN N N 116.83 0.15 1 3109 . 672 ALA H H 6.93 0.04 1 3110 . 672 ALA C C 178.36 0.15 1 3111 . 672 ALA CA C 53.92 0.15 1 3112 . 672 ALA CB C 17.80 0.15 1 3113 . 672 ALA N N 121.23 0.15 1 3114 . 673 GLY H H 8.46 0.04 1 3115 . 673 GLY C C 173.44 0.15 1 3116 . 673 GLY CA C 44.45 0.15 1 3117 . 673 GLY N N 107.69 0.15 1 3118 . 674 ASP H H 7.46 0.04 1 3119 . 674 ASP C C 176.29 0.15 1 3120 . 674 ASP CA C 50.11 0.15 1 3121 . 674 ASP CB C 40.95 0.15 1 3122 . 674 ASP N N 122.55 0.15 1 3123 . 675 PRO C C 177.06 0.15 1 3124 . 675 PRO CA C 63.62 0.15 1 3125 . 675 PRO CB C 31.10 0.15 1 3126 . 676 ALA H H 8.27 0.04 1 3127 . 676 ALA C C 176.97 0.15 1 3128 . 676 ALA CA C 51.28 0.15 1 3129 . 676 ALA CB C 18.44 0.15 1 3130 . 676 ALA N N 120.65 0.15 1 3131 . 677 TYR H H 7.58 0.04 1 3132 . 677 TYR C C 174.77 0.15 1 3133 . 677 TYR CA C 59.15 0.15 1 3134 . 677 TYR CB C 38.70 0.15 1 3135 . 677 TYR N N 121.50 0.15 1 3136 . 678 ARG H H 7.26 0.04 1 3137 . 678 ARG C C 172.89 0.15 1 3138 . 678 ARG CA C 51.72 0.15 1 3139 . 678 ARG CB C 29.20 0.15 1 3140 . 678 ARG N N 129.36 0.15 1 3141 . 679 PRO C C 177.14 0.15 1 3142 . 679 PRO CA C 62.06 0.15 1 3143 . 679 PRO CB C 31.10 0.15 1 3144 . 680 MET H H 10.62 0.04 1 3145 . 680 MET C C 177.32 0.15 1 3146 . 680 MET CA C 58.02 0.15 1 3147 . 680 MET CB C 36.21 0.15 1 3148 . 680 MET N N 124.79 0.15 1 3149 . 681 ALA H H 9.79 0.04 1 3150 . 681 ALA C C 178.66 0.15 1 3151 . 681 ALA CA C 52.84 0.15 1 3152 . 681 ALA CB C 16.60 0.15 1 3153 . 681 ALA N N 121.97 0.15 1 3154 . 682 GLY H H 6.25 0.04 1 3155 . 682 GLY C C 173.56 0.15 1 3156 . 682 GLY CA C 44.76 0.15 1 3157 . 682 GLY N N 108.73 0.15 1 3158 . 683 ASN H H 7.73 0.04 1 3159 . 683 ASN C C 176.04 0.15 1 3160 . 683 ASN CA C 51.53 0.15 1 3161 . 683 ASN CB C 38.90 0.15 1 3162 . 683 ASN N N 119.50 0.15 1 3163 . 684 PHE H H 7.11 0.04 1 3164 . 684 PHE C C 177.40 0.15 1 3165 . 684 PHE CA C 59.09 0.15 1 3166 . 684 PHE CB C 37.11 0.15 1 3167 . 684 PHE N N 119.76 0.15 1 3168 . 685 ALA H H 8.08 0.04 1 3169 . 685 ALA C C 178.11 0.15 1 3170 . 685 ALA CA C 53.22 0.15 1 3171 . 685 ALA CB C 17.68 0.15 1 3172 . 685 ALA N N 116.06 0.15 1 3173 . 686 ASN H H 7.28 0.04 1 3174 . 686 ASN C C 174.21 0.15 1 3175 . 686 ASN CA C 51.86 0.15 1 3176 . 686 ASN CB C 39.74 0.15 1 3177 . 686 ASN N N 112.78 0.15 1 3178 . 687 SER H H 7.27 0.04 1 3179 . 687 SER C C 175.17 0.15 1 3180 . 687 SER CA C 56.05 0.15 1 3181 . 687 SER CB C 61.98 0.15 1 3182 . 687 SER N N 115.45 0.15 1 3183 . 688 CYS H H 9.48 0.04 1 3184 . 688 CYS C C 176.31 0.15 1 3185 . 688 CYS CA C 62.63 0.15 1 3186 . 688 CYS CB C 26.83 0.15 1 3187 . 688 CYS N N 130.54 0.15 1 3188 . 689 ALA H H 9.10 0.04 1 3189 . 689 ALA C C 177.16 0.15 1 3190 . 689 ALA CA C 54.41 0.15 1 3191 . 689 ALA CB C 19.95 0.15 1 3192 . 689 ALA N N 121.06 0.15 1 3193 . 690 PHE H H 7.97 0.04 1 3194 . 690 PHE C C 177.95 0.15 1 3195 . 690 PHE CA C 61.65 0.15 1 3196 . 690 PHE CB C 38.66 0.15 1 3197 . 690 PHE N N 119.33 0.15 1 3198 . 691 LYS H H 7.85 0.04 1 3199 . 691 LYS C C 178.11 0.15 1 3200 . 691 LYS CA C 58.98 0.15 1 3201 . 691 LYS CB C 29.58 0.15 1 3202 . 691 LYS N N 119.33 0.15 1 3203 . 692 ALA H H 7.43 0.04 1 3204 . 692 ALA C C 178.47 0.15 1 3205 . 692 ALA CA C 54.63 0.15 1 3206 . 692 ALA CB C 17.56 0.15 1 3207 . 692 ALA N N 122.01 0.15 1 3208 . 693 ALA H H 7.67 0.04 1 3209 . 693 ALA C C 177.62 0.15 1 3210 . 693 ALA CA C 54.58 0.15 1 3211 . 693 ALA CB C 18.28 0.15 1 3212 . 693 ALA N N 118.38 0.15 1 3213 . 694 SER H H 7.36 0.04 1 3214 . 694 SER C C 175.70 0.15 1 3215 . 694 SER CA C 61.27 0.15 1 3216 . 694 SER CB C 62.10 0.15 1 3217 . 694 SER N N 109.25 0.15 1 3218 . 695 ASP H H 8.15 0.04 1 3219 . 695 ASP C C 178.00 0.15 1 3220 . 695 ASP CA C 57.19 0.15 1 3221 . 695 ASP CB C 40.22 0.15 1 3222 . 695 ASP N N 122.52 0.15 1 3223 . 696 LEU H H 8.27 0.04 1 3224 . 696 LEU C C 177.70 0.15 1 3225 . 696 LEU CA C 57.16 0.15 1 3226 . 696 LEU CB C 40.46 0.15 1 3227 . 696 LEU N N 118.64 0.15 1 3228 . 697 ILE H H 6.84 0.04 1 3229 . 697 ILE C C 178.25 0.15 1 3230 . 697 ILE CA C 63.82 0.15 1 3231 . 697 ILE CB C 37.71 0.15 1 3232 . 697 ILE N N 113.47 0.15 1 3233 . 698 PHE H H 8.81 0.04 1 3234 . 698 PHE C C 178.11 0.15 1 3235 . 698 PHE CA C 61.21 0.15 1 3236 . 698 PHE CB C 36.51 0.15 1 3237 . 698 PHE N N 117.18 0.15 1 3238 . 699 LEU H H 8.90 0.04 1 3239 . 699 LEU C C 179.66 0.15 1 3240 . 699 LEU CA C 53.22 0.15 1 3241 . 699 LEU CB C 39.74 0.15 1 3242 . 699 LEU N N 117.61 0.15 1 3243 . 700 GLY H H 7.35 0.04 1 3244 . 700 GLY C C 177.81 0.15 1 3245 . 700 GLY CA C 47.97 0.15 1 3246 . 700 GLY N N 112.48 0.15 1 3247 . 701 VAL H H 8.79 0.04 1 3248 . 701 VAL C C 176.26 0.15 1 3249 . 701 VAL CA C 64.89 0.15 1 3250 . 701 VAL CB C 30.41 0.15 1 3251 . 701 VAL N N 118.21 0.15 1 3252 . 702 LYS H H 7.41 0.04 1 3253 . 702 LYS C C 177.16 0.15 1 3254 . 702 LYS CA C 54.44 0.15 1 3255 . 702 LYS CB C 31.85 0.15 1 3256 . 702 LYS N N 116.49 0.15 1 3257 . 703 GLN H H 7.29 0.04 1 3258 . 703 GLN C C 174.68 0.15 1 3259 . 703 GLN CA C 52.92 0.15 1 3260 . 703 GLN CB C 25.99 0.15 1 3261 . 703 GLN N N 121.83 0.15 1 3262 . 704 PRO C C 177.22 0.15 1 3263 . 704 PRO CA C 62.55 0.15 1 3264 . 704 PRO CB C 29.79 0.15 1 3265 . 705 ASN H H 9.48 0.04 1 3266 . 705 ASN C C 173.43 0.15 1 3267 . 705 ASN CA C 55.06 0.15 1 3268 . 705 ASN CB C 37.51 0.15 1 3269 . 705 ASN N N 118.64 0.15 1 3270 . 706 GLY H H 7.22 0.04 1 3271 . 706 GLY C C 172.32 0.15 1 3272 . 706 GLY CA C 45.49 0.15 1 3273 . 706 GLY N N 103.50 0.15 1 3274 . 707 TYR H H 8.14 0.04 1 3275 . 707 TYR C C 176.17 0.15 1 3276 . 707 TYR CA C 59.58 0.15 1 3277 . 707 TYR CB C 35.49 0.15 1 3278 . 707 TYR N N 120.82 0.15 1 3279 . 708 THR C C 175.39 0.15 1 3280 . 708 THR CA C 62.08 0.15 1 3281 . 708 THR CB C 69.67 0.15 1 3282 . 709 GLU H H 10.32 0.04 1 3283 . 709 GLU C C 174.23 0.15 1 3284 . 709 GLU CA C 63.08 0.15 1 3285 . 709 GLU CB C 25.75 0.15 1 3286 . 709 GLU N N 123.25 0.15 1 3287 . 710 PRO C C 180.53 0.15 1 3288 . 710 PRO CA C 66.78 0.15 1 3289 . 710 PRO CB C 29.67 0.15 1 3290 . 711 LEU H H 8.42 0.04 1 3291 . 711 LEU C C 179.04 0.15 1 3292 . 711 LEU CA C 56.78 0.15 1 3293 . 711 LEU CB C 42.03 0.15 1 3294 . 711 LEU N N 118.51 0.15 1 3295 . 712 LEU H H 8.63 0.04 1 3296 . 712 LEU C C 179.50 0.15 1 3297 . 712 LEU CA C 58.02 0.15 1 3298 . 712 LEU CB C 40.96 0.15 1 3299 . 712 LEU N N 120.30 0.15 1 3300 . 713 HIS H H 9.87 0.04 1 3301 . 713 HIS C C 177.32 0.15 1 3302 . 713 HIS CA C 60.07 0.15 1 3303 . 713 HIS CB C 27.41 0.15 1 3304 . 713 HIS N N 117.74 0.15 1 3305 . 714 ALA H H 7.03 0.04 1 3306 . 714 ALA C C 181.22 0.15 1 3307 . 714 ALA CA C 54.84 0.15 1 3308 . 714 ALA CB C 16.89 0.15 1 3309 . 714 ALA N N 119.62 0.15 1 3310 . 715 TRP H H 8.23 0.04 1 3311 . 715 TRP C C 178.56 0.15 1 3312 . 715 TRP CA C 60.39 0.15 1 3313 . 715 TRP CB C 29.20 0.15 1 3314 . 715 TRP N N 118.25 0.15 1 3315 . 716 ARG H H 9.03 0.04 1 3316 . 716 ARG C C 177.81 0.15 1 3317 . 716 ARG CA C 57.37 0.15 1 3318 . 716 ARG CB C 29.43 0.15 1 3319 . 716 ARG N N 121.58 0.15 1 3320 . 717 LEU H H 8.50 0.04 1 3321 . 717 LEU C C 179.82 0.15 1 3322 . 717 LEU CA C 58.45 0.15 1 3323 . 717 LEU CB C 40.25 0.15 1 3324 . 717 LEU N N 121.76 0.15 1 3325 . 718 ARG H H 7.66 0.04 1 3326 . 718 ARG C C 179.34 0.15 1 3327 . 718 ARG CA C 58.67 0.15 1 3328 . 718 ARG CB C 28.60 0.15 1 3329 . 718 ARG N N 119.19 0.15 1 3330 . 719 GLU H H 8.44 0.04 1 3331 . 719 GLU C C 179.99 0.15 1 3332 . 719 GLU CA C 58.99 0.15 1 3333 . 719 GLU CB C 28.13 0.15 1 3334 . 719 GLU N N 124.66 0.15 1 3335 . 720 LYS H H 8.57 0.04 1 3336 . 720 LYS C C 179.50 0.15 1 3337 . 720 LYS CA C 60.39 0.15 1 3338 . 720 LYS CB C 31.45 0.15 1 3339 . 720 LYS N N 119.28 0.15 1 3340 . 721 GLU H H 7.92 0.04 1 3341 . 721 GLU C C 178.19 0.15 1 3342 . 721 GLU CA C 57.86 0.15 1 3343 . 721 GLU CB C 28.60 0.15 1 3344 . 721 GLU N N 118.34 0.15 1 3345 . 722 SER H H 7.77 0.04 1 3346 . 722 SER C C 175.01 0.15 1 3347 . 722 SER CA C 59.64 0.15 1 3348 . 722 SER CB C 62.82 0.15 1 3349 . 722 SER N N 114.32 0.15 1 3350 . 723 HIS H H 7.70 0.04 1 3351 . 723 HIS C C 175.09 0.15 1 3352 . 723 HIS CA C 55.80 0.15 1 3353 . 723 HIS CB C 28.75 0.15 1 3354 . 723 HIS N N 120.16 0.15 1 stop_ save_