data_18353 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C backbone resonance assignments of the Kelch domain of mouse Keap1 ; _BMRB_accession_number 18353 _BMRB_flat_file_name bmr18353.str _Entry_type original _Submission_date 2012-03-27 _Accession_date 2012-03-27 _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 Cino Elio A. . 2 Choy Wing-Yiu . . 3 Fan Jingsong . . 4 Yang Daiwen . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 251 "13C chemical shifts" 490 "15N chemical shifts" 251 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-24 update BMRB 'update entry citation' 2012-06-11 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N and 13C backbone resonance assignments of the Kelch domain of mouse Keap1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22688683 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Cino Elio . . 2 Fan Jingsong . . 3 Yang Daiwen . . 4 Choy Wing-Yiu . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 7 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 149 _Page_last 153 _Year 2013 _Details . loop_ _Keyword Keap1 'Kelch domain' Nrf2 'oxidative stress repsonse' 'protein-protein interaction' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Kelch domain of mouse Keap1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Kelch domain of mouse Keap1' $Kelch_domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Kelch_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Kelch_domain_of_mouse_Keap1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 290 _Mol_residue_sequence ; GVGRLIYTAGGYFRQSLSYL EAYNPSNGSWLRLADLQVPR SGLAGCVVGGLLYAVGGRNN SPDGNTDSSALDCYNPMTNQ WSPCASMSVPRNRIGVGVID GHIYAVGGSHGCIHHSSVER YEPERDEWHLVAPMLTRRIG VGVAVLNRLLYAVGGFDGTN RLNSAECYYPERNEWRMITP MNTIRSGAGVCVLHNCIYAA GGYDGQDQLNSVERYDVETE TWTFVAPMRHHRSALGITVH QGKIYVLGGYDGHTFLDSVE CYDPDSDTWSEVTRMTSGRS GVGVAVTMEP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 323 GLY 2 324 VAL 3 325 GLY 4 326 ARG 5 327 LEU 6 328 ILE 7 329 TYR 8 330 THR 9 331 ALA 10 332 GLY 11 333 GLY 12 334 TYR 13 335 PHE 14 336 ARG 15 337 GLN 16 338 SER 17 339 LEU 18 340 SER 19 341 TYR 20 342 LEU 21 343 GLU 22 344 ALA 23 345 TYR 24 346 ASN 25 347 PRO 26 348 SER 27 349 ASN 28 350 GLY 29 351 SER 30 352 TRP 31 353 LEU 32 354 ARG 33 355 LEU 34 356 ALA 35 357 ASP 36 358 LEU 37 359 GLN 38 360 VAL 39 361 PRO 40 362 ARG 41 363 SER 42 364 GLY 43 365 LEU 44 366 ALA 45 367 GLY 46 368 CYS 47 369 VAL 48 370 VAL 49 371 GLY 50 372 GLY 51 373 LEU 52 374 LEU 53 375 TYR 54 376 ALA 55 377 VAL 56 378 GLY 57 379 GLY 58 380 ARG 59 381 ASN 60 382 ASN 61 383 SER 62 384 PRO 63 385 ASP 64 386 GLY 65 387 ASN 66 388 THR 67 389 ASP 68 390 SER 69 391 SER 70 392 ALA 71 393 LEU 72 394 ASP 73 395 CYS 74 396 TYR 75 397 ASN 76 398 PRO 77 399 MET 78 400 THR 79 401 ASN 80 402 GLN 81 403 TRP 82 404 SER 83 405 PRO 84 406 CYS 85 407 ALA 86 408 SER 87 409 MET 88 410 SER 89 411 VAL 90 412 PRO 91 413 ARG 92 414 ASN 93 415 ARG 94 416 ILE 95 417 GLY 96 418 VAL 97 419 GLY 98 420 VAL 99 421 ILE 100 422 ASP 101 423 GLY 102 424 HIS 103 425 ILE 104 426 TYR 105 427 ALA 106 428 VAL 107 429 GLY 108 430 GLY 109 431 SER 110 432 HIS 111 433 GLY 112 434 CYS 113 435 ILE 114 436 HIS 115 437 HIS 116 438 SER 117 439 SER 118 440 VAL 119 441 GLU 120 442 ARG 121 443 TYR 122 444 GLU 123 445 PRO 124 446 GLU 125 447 ARG 126 448 ASP 127 449 GLU 128 450 TRP 129 451 HIS 130 452 LEU 131 453 VAL 132 454 ALA 133 455 PRO 134 456 MET 135 457 LEU 136 458 THR 137 459 ARG 138 460 ARG 139 461 ILE 140 462 GLY 141 463 VAL 142 464 GLY 143 465 VAL 144 466 ALA 145 467 VAL 146 468 LEU 147 469 ASN 148 470 ARG 149 471 LEU 150 472 LEU 151 473 TYR 152 474 ALA 153 475 VAL 154 476 GLY 155 477 GLY 156 478 PHE 157 479 ASP 158 480 GLY 159 481 THR 160 482 ASN 161 483 ARG 162 484 LEU 163 485 ASN 164 486 SER 165 487 ALA 166 488 GLU 167 489 CYS 168 490 TYR 169 491 TYR 170 492 PRO 171 493 GLU 172 494 ARG 173 495 ASN 174 496 GLU 175 497 TRP 176 498 ARG 177 499 MET 178 500 ILE 179 501 THR 180 502 PRO 181 503 MET 182 504 ASN 183 505 THR 184 506 ILE 185 507 ARG 186 508 SER 187 509 GLY 188 510 ALA 189 511 GLY 190 512 VAL 191 513 CYS 192 514 VAL 193 515 LEU 194 516 HIS 195 517 ASN 196 518 CYS 197 519 ILE 198 520 TYR 199 521 ALA 200 522 ALA 201 523 GLY 202 524 GLY 203 525 TYR 204 526 ASP 205 527 GLY 206 528 GLN 207 529 ASP 208 530 GLN 209 531 LEU 210 532 ASN 211 533 SER 212 534 VAL 213 535 GLU 214 536 ARG 215 537 TYR 216 538 ASP 217 539 VAL 218 540 GLU 219 541 THR 220 542 GLU 221 543 THR 222 544 TRP 223 545 THR 224 546 PHE 225 547 VAL 226 548 ALA 227 549 PRO 228 550 MET 229 551 ARG 230 552 HIS 231 553 HIS 232 554 ARG 233 555 SER 234 556 ALA 235 557 LEU 236 558 GLY 237 559 ILE 238 560 THR 239 561 VAL 240 562 HIS 241 563 GLN 242 564 GLY 243 565 LYS 244 566 ILE 245 567 TYR 246 568 VAL 247 569 LEU 248 570 GLY 249 571 GLY 250 572 TYR 251 573 ASP 252 574 GLY 253 575 HIS 254 576 THR 255 577 PHE 256 578 LEU 257 579 ASP 258 580 SER 259 581 VAL 260 582 GLU 261 583 CYS 262 584 TYR 263 585 ASP 264 586 PRO 265 587 ASP 266 588 SER 267 589 ASP 268 590 THR 269 591 TRP 270 592 SER 271 593 GLU 272 594 VAL 273 595 THR 274 596 ARG 275 597 MET 276 598 THR 277 599 SER 278 600 GLY 279 601 ARG 280 602 SER 281 603 GLY 282 604 VAL 283 605 GLY 284 606 VAL 285 607 ALA 286 608 VAL 287 609 THR 288 610 MET 289 611 GLU 290 612 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-04 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 1X2J "Structural Basis For The Defects Of Human Lung Cancer Somatic Mutations In The Repression Activity Of Keap1 On Nrf2" 99.66 316 100.00 100.00 0.00e+00 PDB 1X2R "Structural Basis For The Defects Of Human Lung Cancer Somatic Mutations In The Repression Activity Of Keap1 On Nrf2" 99.66 316 100.00 100.00 0.00e+00 PDB 2DYH "Crystal Structure Of The Keap1 Protein In Complexed With The N-Terminal Region Of The Nrf2 Transcription Factor" 99.66 318 100.00 100.00 0.00e+00 PDB 2Z32 "Crystal Structure Of Keap1 Complexed With Prothymosin Alpha" 99.66 318 100.00 100.00 0.00e+00 PDB 3ADE "Crystal Structure Of Keap1 In Complex With Sequestosome- 1P62" 99.66 318 100.00 100.00 0.00e+00 PDB 3WDZ "Crystal Structure Of Keap1 In Complex With Phosphorylated P62" 98.62 311 100.00 100.00 0.00e+00 PDB 3WN7 "Crystal Structure Of Keap1 In Complex With The N-terminal Region Of The Nrf2 Transcription Factor" 98.62 311 100.00 100.00 0.00e+00 PDB 5CGJ "Crystal Structure Of Murine Keap1 In Complex With Ra839, A Non- Covalent Small-molecule Binder To Keap1 And Selective Activator" 99.66 336 100.00 100.00 0.00e+00 DBJ BAA34639 "Keap1 [Mus musculus]" 99.66 624 100.00 100.00 0.00e+00 DBJ BAB23519 "unnamed protein product [Mus musculus]" 99.66 624 100.00 100.00 0.00e+00 DBJ BAC32621 "unnamed protein product [Mus musculus]" 99.66 624 99.65 99.65 0.00e+00 DBJ BAC36267 "unnamed protein product [Mus musculus]" 99.66 624 100.00 100.00 0.00e+00 DBJ BAC97871 "mKIAA0132 protein [Mus musculus]" 99.66 637 100.00 100.00 0.00e+00 EMBL CAG15151 "kelch-like ECH-associated protein 1 [Sus scrofa]" 99.66 624 97.23 99.31 0.00e+00 GB AAH55732 "Kelch-like ECH-associated protein 1 [Mus musculus]" 99.66 624 100.00 100.00 0.00e+00 GB AAI51546 "KEAP1 protein [Bos taurus]" 99.66 624 97.23 99.31 0.00e+00 GB AAL84711 "NRF2 cytosolic inhibitor [Mus musculus]" 99.66 624 100.00 100.00 0.00e+00 GB EDL25167 "kelch-like ECH-associated protein 1, isoform CRA_a, partial [Mus musculus]" 99.66 637 100.00 100.00 0.00e+00 GB EDL25168 "kelch-like ECH-associated protein 1, isoform CRA_a, partial [Mus musculus]" 99.66 637 100.00 100.00 0.00e+00 REF NP_001094612 "kelch-like ECH-associated protein 1 [Bos taurus]" 99.66 624 97.23 99.31 0.00e+00 REF NP_001103775 "kelch-like ECH-associated protein 1 [Mus musculus]" 99.66 624 100.00 100.00 0.00e+00 REF NP_001103776 "kelch-like ECH-associated protein 1 [Mus musculus]" 99.66 624 100.00 100.00 0.00e+00 REF NP_001103777 "kelch-like ECH-associated protein 1 [Mus musculus]" 99.66 624 100.00 100.00 0.00e+00 REF NP_001108143 "kelch-like ECH-associated protein 1 [Sus scrofa]" 99.66 624 97.23 99.31 0.00e+00 SP Q684M4 "RecName: Full=Kelch-like ECH-associated protein 1; AltName: Full=Cytosolic inhibitor of Nrf2; Short=INrf2" 99.66 624 97.23 99.31 0.00e+00 SP Q9Z2X8 "RecName: Full=Kelch-like ECH-associated protein 1; AltName: Full=Cytosolic inhibitor of Nrf2; Short=INrf2" 99.66 624 100.00 100.00 0.00e+00 TPG DAA27941 "TPA: kelch-like ECH-associated protein 1 [Bos taurus]" 99.66 624 97.23 99.31 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 $Kelch_domain 'House Mouse' 10090 Eukaryota Metazoa Mus musculus 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 $Kelch_domain 'recombinant technology' . Escherichia coli . pDEST17 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Kelch_domain . mM 0.2 0.3 '[U-13C; U-15N; U-2H]' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D 1H-15N NOESY' '3D HN(CO)CACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Kelch domain of mouse Keap1' _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 1 325 3 GLY H H 8.583 0.020 1 2 325 3 GLY CA C 44.305 0.3 1 3 325 3 GLY N N 112.356 0.3 1 4 326 4 ARG H H 8.239 0.020 1 5 326 4 ARG CA C 54.965 0.3 1 6 326 4 ARG CB C 30.845 0.3 1 7 326 4 ARG N N 121.075 0.3 1 8 327 5 LEU H H 8.137 0.020 1 9 327 5 LEU CA C 52.171 0.3 1 10 327 5 LEU CB C 43.536 0.3 1 11 327 5 LEU N N 120.229 0.3 1 12 328 6 ILE H H 8.129 0.020 1 13 328 6 ILE CA C 60.806 0.3 1 14 328 6 ILE CB C 38.462 0.3 1 15 328 6 ILE N N 118.407 0.3 1 16 329 7 TYR H H 9.242 0.020 1 17 329 7 TYR CA C 57.506 0.3 1 18 329 7 TYR CB C 39.730 0.3 1 19 329 7 TYR N N 127.125 0.3 1 20 330 8 THR H H 9.220 0.020 1 21 330 8 THR CA C 58.773 0.3 1 22 330 8 THR CB C 69.944 0.3 1 23 330 8 THR N N 114.764 0.3 1 24 331 9 ALA H H 9.718 0.020 1 25 331 9 ALA CA C 48.863 0.3 1 26 331 9 ALA CB C 20.692 0.3 1 27 331 9 ALA N N 133.046 0.3 1 28 332 10 GLY H H 9.293 0.020 1 29 332 10 GLY CA C 45.066 0.3 1 30 332 10 GLY N N 108.680 0.3 1 31 333 11 GLY H H 9.081 0.020 1 32 333 11 GLY CA C 42.781 0.3 1 33 333 11 GLY N N 106.371 0.3 1 34 334 12 TYR H H 9.410 0.020 1 35 334 12 TYR CA C 56.999 0.3 1 36 334 12 TYR CB C 41.001 0.3 1 37 334 12 TYR N N 122.018 0.3 1 38 335 13 PHE H H 6.914 0.020 1 39 335 13 PHE CA C 58.774 0.3 1 40 335 13 PHE CB C 37.953 0.3 1 41 335 13 PHE N N 124.133 0.3 1 42 336 14 ARG H H 6.321 0.020 1 43 336 14 ARG CA C 59.786 0.3 1 44 336 14 ARG N N 121.595 0.3 1 45 337 15 GLN H H 7.229 0.020 1 46 337 15 GLN CA C 53.439 0.3 1 47 337 15 GLN CB C 30.336 0.3 1 48 337 15 GLN N N 113.397 0.3 1 49 338 16 SER H H 9.008 0.020 1 50 338 16 SER CA C 60.298 0.3 1 51 338 16 SER CB C 61.821 0.3 1 52 338 16 SER N N 117.041 0.3 1 53 339 17 LEU H H 8.525 0.020 1 54 339 17 LEU CA C 53.190 0.3 1 55 339 17 LEU CB C 44.044 0.3 1 56 339 17 LEU N N 122.864 0.3 1 57 340 18 SER H H 8.349 0.020 1 58 340 18 SER CA C 56.487 0.3 1 59 340 18 SER CB C 62.838 0.3 1 60 340 18 SER N N 111.999 0.3 1 61 341 19 TYR H H 5.919 0.020 1 62 341 19 TYR CA C 56.487 0.3 1 63 341 19 TYR CB C 38.714 0.3 1 64 341 19 TYR N N 116.651 0.3 1 65 342 20 LEU H H 9.769 0.020 1 66 342 20 LEU CA C 54.966 0.3 1 67 342 20 LEU CB C 42.272 0.3 1 68 342 20 LEU N N 125.727 0.3 1 69 343 21 GLU H H 8.781 0.020 1 70 343 21 GLU CA C 53.186 0.3 1 71 343 21 GLU CB C 35.416 0.3 1 72 343 21 GLU N N 124.295 0.3 1 73 344 22 ALA H H 9.066 0.020 1 74 344 22 ALA CA C 49.380 0.3 1 75 344 22 ALA CB C 22.212 0.3 1 76 344 22 ALA N N 121.986 0.3 1 77 345 23 TYR H H 9.110 0.020 1 78 345 23 TYR CA C 53.697 0.3 1 79 345 23 TYR CB C 38.719 0.3 1 80 345 23 TYR N N 125.954 0.3 1 81 346 24 ASN H H 7.624 0.020 1 82 346 24 ASN CA C 47.853 0.3 1 83 346 24 ASN CB C 38.204 0.3 1 84 346 24 ASN N N 125.304 0.3 1 85 347 25 PRO CA C 62.589 0.3 1 86 347 25 PRO CB C 30.880 0.3 1 87 348 26 SER H H 7.712 0.020 1 88 348 26 SER CA C 60.044 0.3 1 89 348 26 SER CB C 62.076 0.3 1 90 348 26 SER N N 111.055 0.3 1 91 349 27 ASN H H 6.687 0.020 1 92 349 27 ASN CA C 51.159 0.3 1 93 349 27 ASN CB C 38.211 0.3 1 94 349 27 ASN N N 114.308 0.3 1 95 350 28 GLY H H 8.129 0.020 1 96 350 28 GLY CA C 45.572 0.3 1 97 350 28 GLY N N 109.689 0.3 1 98 351 29 SER H H 7.683 0.020 1 99 351 29 SER CA C 58.011 0.3 1 100 351 29 SER CB C 64.870 0.3 1 101 351 29 SER N N 115.252 0.3 1 102 352 30 TRP H H 8.561 0.020 1 103 352 30 TRP CA C 56.235 0.3 1 104 352 30 TRP CB C 31.098 0.3 1 105 352 30 TRP N N 121.498 0.3 1 106 353 31 LEU H H 9.344 0.020 1 107 353 31 LEU CA C 53.440 0.3 1 108 353 31 LEU CB C 44.812 0.3 1 109 353 31 LEU N N 123.742 0.3 1 110 354 32 ARG H H 8.817 0.020 1 111 354 32 ARG CA C 55.727 0.3 1 112 354 32 ARG CB C 29.322 0.3 1 113 354 32 ARG N N 125.889 0.3 1 114 355 33 LEU H H 8.605 0.020 1 115 355 33 LEU CA C 52.681 0.3 1 116 355 33 LEU CB C 41.765 0.3 1 117 355 33 LEU N N 130.769 0.3 1 118 356 34 ALA H H 8.012 0.020 1 119 356 34 ALA CA C 53.450 0.3 1 120 356 34 ALA CB C 18.406 0.3 1 121 356 34 ALA N N 125.271 0.3 1 122 357 35 ASP H H 7.946 0.020 1 123 357 35 ASP CA C 53.694 0.3 1 124 357 35 ASP CB C 40.748 0.3 1 125 357 35 ASP N N 120.066 0.3 1 126 358 36 LEU H H 8.378 0.020 1 127 358 36 LEU CA C 55.219 0.3 1 128 358 36 LEU CB C 41.764 0.3 1 129 358 36 LEU N N 118.602 0.3 1 130 359 37 GLN H H 8.041 0.020 1 131 359 37 GLN CA C 57.758 0.3 1 132 359 37 GLN CB C 27.799 0.3 1 133 359 37 GLN N N 119.578 0.3 1 134 360 38 VAL H H 7.266 0.020 1 135 360 38 VAL CA C 58.013 0.3 1 136 360 38 VAL CB C 34.398 0.3 1 137 360 38 VAL N N 117.399 0.3 1 138 361 39 PRO CA C 62.326 0.3 1 139 361 39 PRO CB C 31.110 0.3 1 140 362 40 ARG H H 7.558 0.020 1 141 362 40 ARG CA C 54.202 0.3 1 142 362 40 ARG CB C 35.950 0.3 1 143 362 40 ARG N N 116.814 0.3 1 144 363 41 SER H H 9.198 0.020 1 145 363 41 SER CA C 56.236 0.3 1 146 363 41 SER CB C 65.886 0.3 1 147 363 41 SER N N 112.909 0.3 1 148 364 42 GLY H H 9.542 0.020 1 149 364 42 GLY CA C 46.843 0.3 1 150 364 42 GLY N N 109.949 0.3 1 151 365 43 LEU H H 6.790 0.020 1 152 365 43 LEU CA C 53.948 0.3 1 153 365 43 LEU CB C 43.540 0.3 1 154 365 43 LEU N N 116.325 0.3 1 155 366 44 ALA H H 8.137 0.020 1 156 366 44 ALA CA C 50.142 0.3 1 157 366 44 ALA CB C 23.479 0.3 1 158 366 44 ALA N N 117.952 0.3 1 159 367 45 GLY H H 9.030 0.020 1 160 367 45 GLY CA C 42.269 0.3 1 161 367 45 GLY N N 106.566 0.3 1 162 368 46 CYS H H 8.576 0.020 1 163 368 46 CYS CA C 56.235 0.3 1 164 368 46 CYS CB C 30.083 0.3 1 165 368 46 CYS N N 111.283 0.3 1 166 369 47 VAL H H 8.656 0.020 1 167 369 47 VAL CA C 59.790 0.3 1 168 369 47 VAL CB C 33.892 0.3 1 169 369 47 VAL N N 120.782 0.3 1 170 370 48 VAL H H 8.568 0.020 1 171 370 48 VAL CA C 61.822 0.3 1 172 370 48 VAL CB C 33.900 0.3 1 173 370 48 VAL N N 124.783 0.3 1 174 372 50 GLY H H 8.239 0.020 1 175 372 50 GLY CA C 44.301 0.3 1 176 372 50 GLY N N 106.436 0.3 1 177 373 51 LEU H H 7.470 0.020 1 178 373 51 LEU CA C 52.933 0.3 1 179 373 51 LEU CB C 42.014 0.3 1 180 373 51 LEU N N 120.912 0.3 1 181 374 52 LEU H H 7.858 0.020 1 182 374 52 LEU CA C 52.931 0.3 1 183 374 52 LEU CB C 43.288 0.3 1 184 374 52 LEU N N 122.441 0.3 1 185 375 53 TYR H H 9.586 0.020 1 186 375 53 TYR CA C 56.490 0.3 1 187 375 53 TYR CB C 39.224 0.3 1 188 375 53 TYR N N 125.011 0.3 1 189 376 54 ALA H H 9.052 0.020 1 190 376 54 ALA CA C 49.886 0.3 1 191 376 54 ALA CB C 20.436 0.3 1 192 376 54 ALA N N 123.254 0.3 1 193 377 55 VAL H H 9.096 0.020 1 194 377 55 VAL CA C 60.291 0.3 1 195 377 55 VAL CB C 33.637 0.3 1 196 377 55 VAL N N 124.555 0.3 1 197 378 56 GLY H H 8.781 0.020 1 198 378 56 GLY CA C 45.570 0.3 1 199 378 56 GLY N N 111.315 0.3 1 200 379 57 GLY H H 8.781 0.020 1 201 379 57 GLY CA C 43.539 0.3 1 202 379 57 GLY N N 107.347 0.3 1 203 380 58 ARG H H 9.030 0.020 1 204 380 58 ARG CA C 54.460 0.3 1 205 380 58 ARG CB C 33.127 0.3 1 206 380 58 ARG N N 120.457 0.3 1 207 381 59 ASN H H 8.839 0.020 1 208 381 59 ASN CA C 51.409 0.3 1 209 381 59 ASN CB C 38.970 0.3 1 210 381 59 ASN N N 123.417 0.3 1 211 382 60 ASN H H 8.773 0.020 1 212 382 60 ASN CA C 52.424 0.3 1 213 382 60 ASN CB C 38.969 0.3 1 214 382 60 ASN N N 122.831 0.3 1 215 383 61 SER H H 8.334 0.020 1 216 383 61 SER CA C 56.237 0.3 1 217 383 61 SER CB C 64.611 0.3 1 218 383 61 SER N N 121.433 0.3 1 219 384 62 PRO CA C 64.107 0.3 1 220 384 62 PRO CB C 30.846 0.3 1 221 385 63 ASP H H 7.712 0.020 1 222 385 63 ASP CA C 53.445 0.3 1 223 385 63 ASP CB C 40.749 0.3 1 224 385 63 ASP N N 114.764 0.3 1 225 386 64 GLY H H 7.514 0.020 1 226 386 64 GLY CA C 44.554 0.3 1 227 386 64 GLY N N 108.908 0.3 1 228 387 65 ASN H H 8.437 0.020 1 229 387 65 ASN CA C 52.175 0.3 1 230 387 65 ASN CB C 39.221 0.3 1 231 387 65 ASN N N 121.107 0.3 1 232 388 66 THR H H 8.005 0.020 1 233 388 66 THR CA C 60.299 0.3 1 234 388 66 THR CB C 70.451 0.3 1 235 388 66 THR N N 115.902 0.3 1 236 389 67 ASP H H 8.891 0.020 1 237 389 67 ASP CA C 55.218 0.3 1 238 389 67 ASP CB C 42.276 0.3 1 239 389 67 ASP N N 128.457 0.3 1 240 390 68 SER H H 9.066 0.020 1 241 390 68 SER CA C 56.488 0.3 1 242 390 68 SER CB C 63.851 0.3 1 243 390 68 SER N N 116.163 0.3 1 244 391 69 SER H H 8.722 0.020 1 245 391 69 SER CA C 55.976 0.3 1 246 391 69 SER CB C 62.840 0.3 1 247 391 69 SER N N 124.328 0.3 1 248 392 70 ALA H H 8.327 0.020 1 249 392 70 ALA CA C 52.935 0.3 1 250 392 70 ALA CB C 19.673 0.3 1 251 392 70 ALA N N 125.401 0.3 1 252 393 71 LEU H H 8.664 0.020 1 253 393 71 LEU CA C 53.947 0.3 1 254 393 71 LEU CB C 44.050 0.3 1 255 393 71 LEU N N 122.343 0.3 1 256 394 72 ASP H H 8.385 0.020 1 257 394 72 ASP CA C 52.681 0.3 1 258 394 72 ASP CB C 46.334 0.3 1 259 394 72 ASP N N 123.515 0.3 1 260 395 73 CYS H H 9.549 0.020 1 261 395 73 CYS CA C 55.474 0.3 1 262 395 73 CYS CB C 29.831 0.3 1 263 395 73 CYS N N 121.010 0.3 1 264 396 74 TYR H H 9.850 0.020 1 265 396 74 TYR CA C 55.456 0.3 1 266 396 74 TYR CB C 36.939 0.3 1 267 396 74 TYR N N 131.907 0.3 1 268 397 75 ASN H H 6.680 0.020 1 269 397 75 ASN CA C 47.601 0.3 1 270 397 75 ASN CB C 38.739 0.3 1 271 397 75 ASN N N 124.393 0.3 1 272 398 76 PRO CA C 63.347 0.3 1 273 398 76 PRO CB C 31.601 0.3 1 274 399 77 MET H H 7.793 0.020 1 275 399 77 MET CA C 56.741 0.3 1 276 399 77 MET CB C 30.843 0.3 1 277 399 77 MET N N 113.072 0.3 1 278 400 78 THR H H 6.731 0.020 1 279 400 78 THR CA C 59.783 0.3 1 280 400 78 THR CB C 69.170 0.3 1 281 400 78 THR N N 105.915 0.3 1 282 401 79 ASN H H 8.115 0.020 1 283 401 79 ASN CA C 52.932 0.3 1 284 401 79 ASN CB C 36.685 0.3 1 285 401 79 ASN N N 118.994 0.3 1 286 402 80 GLN H H 6.475 0.020 1 287 402 80 GLN CA C 53.695 0.3 1 288 402 80 GLN CB C 32.114 0.3 1 289 402 80 GLN N N 112.779 0.3 1 290 403 81 TRP H H 8.913 0.020 1 291 403 81 TRP CA C 56.236 0.3 1 292 403 81 TRP CB C 30.585 0.3 1 293 403 81 TRP N N 125.369 0.3 1 294 404 82 SER H H 9.820 0.020 1 295 404 82 SER CA C 55.223 0.3 1 296 404 82 SER CB C 64.361 0.3 1 297 404 82 SER N N 117.691 0.3 1 298 405 83 PRO CA C 62.581 0.3 1 299 405 83 PRO CB C 32.363 0.3 1 300 406 84 CYS H H 8.466 0.020 1 301 406 84 CYS CA C 56.488 0.3 1 302 406 84 CYS CB C 30.846 0.3 1 303 406 84 CYS N N 120.880 0.3 1 304 407 85 ALA H H 9.864 0.020 1 305 407 85 ALA CA C 53.691 0.3 1 306 407 85 ALA CB C 18.409 0.3 1 307 407 85 ALA N N 129.272 0.3 1 308 408 86 SER H H 8.078 0.020 1 309 408 86 SER CA C 57.760 0.3 1 310 408 86 SER CB C 63.092 0.3 1 311 408 86 SER N N 115.447 0.3 1 312 409 87 MET H H 8.298 0.020 1 313 409 87 MET CA C 55.220 0.3 1 314 409 87 MET CB C 33.638 0.3 1 315 409 87 MET N N 119.416 0.3 1 316 410 88 SER H H 10.274 0.020 1 317 410 88 SER CA C 60.805 0.3 1 318 410 88 SER CB C 62.585 0.3 1 319 410 88 SER N N 118.960 0.3 1 320 411 89 VAL H H 6.658 0.020 1 321 411 89 VAL CA C 56.743 0.3 1 322 411 89 VAL CB C 34.147 0.3 1 323 411 89 VAL N N 115.317 0.3 1 324 412 90 PRO CA C 63.348 0.3 1 325 413 91 ARG H H 7.924 0.020 1 326 413 91 ARG CA C 56.739 0.3 1 327 413 91 ARG CB C 30.847 0.3 1 328 413 91 ARG N N 114.568 0.3 1 329 415 93 ARG H H 8.803 0.020 1 330 415 93 ARG CA C 55.218 0.3 1 331 415 93 ARG CB C 31.100 0.3 1 332 415 93 ARG N N 122.669 0.3 1 333 416 94 ILE H H 8.356 0.020 1 334 416 94 ILE CA C 59.285 0.3 1 335 416 94 ILE CB C 39.478 0.3 1 336 416 94 ILE N N 117.724 0.3 1 337 417 95 GLY H H 7.873 0.020 1 338 417 95 GLY CA C 44.298 0.3 1 339 417 95 GLY N N 110.893 0.3 1 340 418 96 VAL H H 8.766 0.020 1 341 418 96 VAL CA C 58.520 0.3 1 342 418 96 VAL CB C 36.177 0.3 1 343 418 96 VAL N N 119.188 0.3 1 344 419 97 GLY H H 8.378 0.020 1 345 419 97 GLY CA C 43.541 0.3 1 346 419 97 GLY N N 108.258 0.3 1 347 420 98 VAL H H 8.422 0.020 1 348 420 98 VAL CA C 60.550 0.3 1 349 420 98 VAL CB C 33.638 0.3 1 350 420 98 VAL N N 122.408 0.3 1 351 421 99 ILE H H 8.415 0.020 1 352 421 99 ILE CA C 60.805 0.3 1 353 421 99 ILE CB C 39.732 0.3 1 354 421 99 ILE N N 124.393 0.3 1 355 422 100 ASP H H 9.155 0.020 1 356 422 100 ASP CA C 54.966 0.3 1 357 422 100 ASP CB C 38.462 0.3 1 358 422 100 ASP N N 128.556 0.3 1 359 423 101 GLY H H 8.071 0.020 1 360 423 101 GLY CA C 45.059 0.3 1 361 423 101 GLY N N 103.410 0.3 1 362 424 102 HIS H H 7.917 0.020 1 363 424 102 HIS CA C 52.426 0.3 1 364 424 102 HIS CB C 32.113 0.3 1 365 424 102 HIS N N 117.887 0.3 1 366 425 103 ILE H H 7.946 0.020 1 367 425 103 ILE CA C 61.061 0.3 1 368 425 103 ILE CB C 39.476 0.3 1 369 425 103 ILE N N 120.684 0.3 1 370 426 104 TYR H H 9.703 0.020 1 371 426 104 TYR CA C 57.255 0.3 1 372 426 104 TYR CB C 38.957 0.3 1 373 426 104 TYR N N 126.963 0.3 1 374 427 105 ALA H H 9.681 0.020 1 375 427 105 ALA CA C 50.394 0.3 1 376 427 105 ALA CB C 22.210 0.3 1 377 427 105 ALA N N 126.703 0.3 1 378 428 106 VAL H H 8.788 0.020 1 379 428 106 VAL CA C 60.549 0.3 1 380 428 106 VAL CB C 33.131 0.3 1 381 428 106 VAL N N 121.042 0.3 1 382 429 107 GLY H H 7.295 0.020 1 383 429 107 GLY CA C 46.077 0.3 1 384 429 107 GLY N N 108.615 0.3 1 385 430 108 GLY H H 8.627 0.020 1 386 430 108 GLY CA C 43.791 0.3 1 387 430 108 GLY N N 108.062 0.3 1 388 431 109 SER H H 9.476 0.020 1 389 431 109 SER CA C 55.725 0.3 1 390 431 109 SER CB C 66.390 0.3 1 391 431 109 SER N N 111.055 0.3 1 392 432 110 HIS H H 8.071 0.020 1 393 432 110 HIS CA C 51.663 0.3 1 394 432 110 HIS CB C 31.858 0.3 1 395 432 110 HIS N N 119.025 0.3 1 396 433 111 GLY H H 9.410 0.020 1 397 433 111 GLY CA C 46.587 0.3 1 398 433 111 GLY N N 119.708 0.3 1 399 435 113 ILE H H 8.056 0.020 1 400 435 113 ILE CA C 60.806 0.3 1 401 435 113 ILE CB C 36.177 0.3 1 402 435 113 ILE N N 125.434 0.3 1 403 436 114 HIS H H 8.568 0.020 1 404 436 114 HIS CA C 53.951 0.3 1 405 436 114 HIS CB C 28.562 0.3 1 406 436 114 HIS N N 128.297 0.3 1 407 437 115 HIS H H 8.788 0.020 1 408 437 115 HIS CA C 56.466 0.3 1 409 437 115 HIS CB C 30.591 0.3 1 410 437 115 HIS N N 123.840 0.3 1 411 438 116 SER H H 8.847 0.020 1 412 438 116 SER CA C 56.491 0.3 1 413 438 116 SER CB C 63.598 0.3 1 414 438 116 SER N N 112.519 0.3 1 415 439 117 SER H H 7.668 0.020 1 416 439 117 SER CA C 56.743 0.3 1 417 439 117 SER CB C 64.102 0.3 1 418 439 117 SER N N 117.887 0.3 1 419 440 118 VAL H H 8.664 0.020 1 420 440 118 VAL CA C 60.297 0.3 1 421 440 118 VAL CB C 35.160 0.3 1 422 440 118 VAL N N 121.855 0.3 1 423 441 119 GLU H H 8.715 0.020 1 424 441 119 GLU CA C 53.443 0.3 1 425 441 119 GLU CB C 34.401 0.3 1 426 441 119 GLU N N 121.921 0.3 1 427 442 120 ARG H H 9.564 0.020 1 428 442 120 ARG CA C 53.189 0.3 1 429 442 120 ARG CB C 33.384 0.3 1 430 442 120 ARG N N 122.441 0.3 1 431 443 121 TYR H H 9.637 0.020 1 432 443 121 TYR CA C 54.968 0.3 1 433 443 121 TYR CB C 37.946 0.3 1 434 443 121 TYR N N 131.127 0.3 1 435 444 122 GLU H H 7.148 0.020 1 436 444 122 GLU CA C 50.904 0.3 1 437 444 122 GLU CB C 29.322 0.3 1 438 444 122 GLU N N 126.442 0.3 1 439 445 123 PRO CA C 64.616 0.3 1 440 445 123 PRO CB C 31.350 0.3 1 441 446 124 GLU H H 9.696 0.020 1 442 446 124 GLU CA C 58.265 0.3 1 443 446 124 GLU CB C 27.799 0.3 1 444 446 124 GLU N N 115.805 0.3 1 445 447 125 ARG H H 6.863 0.020 1 446 447 125 ARG CA C 54.713 0.3 1 447 447 125 ARG CB C 31.355 0.3 1 448 447 125 ARG N N 114.829 0.3 1 449 448 126 ASP H H 7.749 0.020 1 450 448 126 ASP CA C 53.953 0.3 1 451 448 126 ASP CB C 39.221 0.3 1 452 448 126 ASP N N 119.741 0.3 1 453 449 127 GLU H H 5.970 0.020 1 454 449 127 GLU CA C 53.948 0.3 1 455 449 127 GLU CB C 34.399 0.3 1 456 449 127 GLU N N 112.779 0.3 1 457 450 128 TRP H H 8.576 0.020 1 458 450 128 TRP CA C 55.474 0.3 1 459 450 128 TRP CB C 31.355 0.3 1 460 450 128 TRP N N 123.124 0.3 1 461 451 129 HIS H H 9.257 0.020 1 462 451 129 HIS CA C 54.709 0.3 1 463 451 129 HIS CB C 32.614 0.3 1 464 451 129 HIS N N 118.895 0.3 1 465 452 130 LEU H H 8.788 0.020 1 466 452 130 LEU CA C 56.234 0.3 1 467 452 130 LEU CB C 42.017 0.3 1 468 452 130 LEU N N 125.596 0.3 1 469 453 131 VAL H H 8.129 0.020 1 470 453 131 VAL CA C 59.026 0.3 1 471 453 131 VAL CB C 31.862 0.3 1 472 453 131 VAL N N 117.399 0.3 1 473 454 132 ALA H H 8.407 0.020 1 474 454 132 ALA CA C 51.157 0.3 1 475 454 132 ALA CB C 16.883 0.3 1 476 454 132 ALA N N 127.223 0.3 1 477 457 135 LEU H H 9.118 0.020 1 478 457 135 LEU CA C 55.736 0.3 1 479 457 135 LEU CB C 39.982 0.3 1 480 457 135 LEU N N 121.922 0.3 1 481 458 136 THR H H 7.331 0.020 1 482 458 136 THR CA C 60.042 0.3 1 483 458 136 THR CB C 70.199 0.3 1 484 458 136 THR N N 115.740 0.3 1 485 459 137 ARG H H 8.063 0.020 1 486 459 137 ARG CA C 55.979 0.3 1 487 459 137 ARG CB C 29.068 0.3 1 488 459 137 ARG N N 124.100 0.3 1 489 460 138 ARG H H 7.126 0.020 1 490 460 138 ARG CA C 54.964 0.3 1 491 460 138 ARG CB C 34.653 0.3 1 492 460 138 ARG N N 113.950 0.3 1 493 461 139 ILE H H 8.686 0.020 1 494 461 139 ILE CA C 58.015 0.3 1 495 461 139 ILE CB C 38.716 0.3 1 496 461 139 ILE N N 118.408 0.3 1 497 462 140 GLY H H 9.608 0.020 1 498 462 140 GLY CA C 46.840 0.3 1 499 462 140 GLY N N 114.243 0.3 1 500 463 141 VAL H H 6.621 0.020 1 501 463 141 VAL CA C 58.011 0.3 1 502 463 141 VAL CB C 33.132 0.3 1 503 463 141 VAL N N 117.594 0.3 1 504 464 142 GLY H H 8.400 0.020 1 505 464 142 GLY CA C 43.794 0.3 1 506 464 142 GLY N N 114.764 0.3 1 507 465 143 VAL H H 8.810 0.020 1 508 465 143 VAL CA C 59.279 0.3 1 509 465 143 VAL CB C 34.648 0.3 1 510 465 143 VAL N N 125.434 0.3 1 511 466 144 ALA H H 8.649 0.020 1 512 466 144 ALA CA C 49.887 0.3 1 513 466 144 ALA CB C 23.484 0.3 1 514 466 144 ALA N N 126.312 0.3 1 515 467 145 VAL H H 8.429 0.020 1 516 467 145 VAL CA C 60.805 0.3 1 517 467 145 VAL CB C 33.382 0.3 1 518 467 145 VAL N N 120.717 0.3 1 519 468 146 LEU H H 8.590 0.020 1 520 468 146 LEU CA C 53.950 0.3 1 521 468 146 LEU CB C 44.049 0.3 1 522 468 146 LEU N N 127.939 0.3 1 523 469 147 ASN H H 9.659 0.020 1 524 469 147 ASN CA C 53.948 0.3 1 525 469 147 ASN CB C 36.428 0.3 1 526 469 147 ASN N N 128.687 0.3 1 527 470 148 ARG H H 8.459 0.020 1 528 470 148 ARG CA C 58.014 0.3 1 529 470 148 ARG CB C 26.529 0.3 1 530 470 148 ARG N N 107.965 0.3 1 531 471 149 LEU H H 7.273 0.020 1 532 471 149 LEU CA C 52.934 0.3 1 533 471 149 LEU CB C 42.269 0.3 1 534 471 149 LEU N N 116.878 0.3 1 535 472 150 LEU H H 7.236 0.020 1 536 472 150 LEU CA C 53.186 0.3 1 537 472 150 LEU CB C 42.524 0.3 1 538 472 150 LEU N N 122.540 0.3 1 539 474 152 ALA H H 9.425 0.020 1 540 474 152 ALA CA C 50.394 0.3 1 541 474 152 ALA CB C 21.182 0.3 1 542 474 152 ALA N N 125.793 0.3 1 543 475 153 VAL H H 9.330 0.020 1 544 475 153 VAL CA C 61.567 0.3 1 545 475 153 VAL CB C 33.886 0.3 1 546 475 153 VAL N N 122.571 0.3 1 547 476 154 GLY H H 8.488 0.020 1 548 476 154 GLY CA C 45.064 0.3 1 549 476 154 GLY N N 114.016 0.3 1 550 477 155 GLY H H 9.220 0.020 1 551 477 155 GLY CA C 43.032 0.3 1 552 477 155 GLY N N 106.598 0.3 1 553 478 156 PHE H H 8.766 0.020 1 554 478 156 PHE CA C 54.967 0.3 1 555 478 156 PHE CB C 41.256 0.3 1 556 478 156 PHE N N 120.977 0.3 1 557 479 157 ASP H H 7.946 0.020 1 558 479 157 ASP CA C 52.938 0.3 1 559 479 157 ASP CB C 41.507 0.3 1 560 479 157 ASP N N 125.792 0.3 1 561 481 159 THR H H 8.290 0.020 1 562 481 159 THR CA C 64.103 0.3 1 563 481 159 THR CB C 70.397 0.3 1 564 481 159 THR N N 117.887 0.3 1 565 482 160 ASN H H 9.791 0.020 1 566 482 160 ASN CA C 52.171 0.3 1 567 482 160 ASN CB C 40.745 0.3 1 568 482 160 ASN N N 122.701 0.3 1 569 483 161 ARG H H 8.693 0.020 1 570 483 161 ARG CA C 56.742 0.3 1 571 483 161 ARG CB C 29.068 0.3 1 572 483 161 ARG N N 123.547 0.3 1 573 484 162 LEU H H 8.305 0.020 1 574 484 162 LEU CA C 54.710 0.3 1 575 484 162 LEU CB C 42.779 0.3 1 576 484 162 LEU N N 121.107 0.3 1 577 485 163 ASN H H 8.312 0.020 1 578 485 163 ASN CA C 50.902 0.3 1 579 485 163 ASN CB C 36.938 0.3 1 580 485 163 ASN N N 115.935 0.3 1 581 486 164 SER H H 7.200 0.020 1 582 486 164 SER CA C 56.233 0.3 1 583 486 164 SER CB C 64.866 0.3 1 584 486 164 SER N N 115.154 0.3 1 585 487 165 ALA H H 9.096 0.020 1 586 487 165 ALA CA C 50.397 0.3 1 587 487 165 ALA CB C 22.212 0.3 1 588 487 165 ALA N N 122.506 0.3 1 589 488 166 GLU H H 9.198 0.020 1 590 488 166 GLU CA C 54.455 0.3 1 591 488 166 GLU CB C 34.655 0.3 1 592 488 166 GLU N N 117.725 0.3 1 593 489 167 CYS H H 9.637 0.020 1 594 489 167 CYS CA C 55.725 0.3 1 595 489 167 CYS CB C 30.342 0.3 1 596 489 167 CYS N N 121.106 0.3 1 597 490 168 TYR H H 9.286 0.020 1 598 490 168 TYR CA C 54.716 0.3 1 599 490 168 TYR CB C 37.682 0.3 1 600 490 168 TYR N N 130.605 0.3 1 601 491 169 TYR H H 7.434 0.020 1 602 491 169 TYR CA C 52.934 0.3 1 603 491 169 TYR CB C 37.446 0.3 1 604 491 169 TYR N N 125.043 0.3 1 605 492 170 PRO CA C 64.851 0.3 1 606 492 170 PRO CB C 30.843 0.3 1 607 493 171 GLU H H 9.074 0.020 1 608 493 171 GLU CA C 58.264 0.3 1 609 493 171 GLU CB C 28.051 0.3 1 610 493 171 GLU N N 115.935 0.3 1 611 494 172 ARG H H 6.731 0.020 1 612 494 172 ARG CA C 54.712 0.3 1 613 494 172 ARG CB C 31.354 0.3 1 614 494 172 ARG N N 114.341 0.3 1 615 495 173 ASN H H 8.041 0.020 1 616 495 173 ASN CA C 52.933 0.3 1 617 495 173 ASN CB C 36.431 0.3 1 618 495 173 ASN N N 118.635 0.3 1 619 496 174 GLU H H 6.409 0.020 1 620 496 174 GLU CA C 53.948 0.3 1 621 496 174 GLU CB C 34.147 0.3 1 622 496 174 GLU N N 114.406 0.3 1 623 497 175 TRP H H 8.642 0.020 1 624 497 175 TRP CA C 55.979 0.3 1 625 497 175 TRP CB C 31.351 0.3 1 626 497 175 TRP N N 124.360 0.3 1 627 498 176 ARG H H 9.579 0.020 1 628 498 176 ARG CA C 54.204 0.3 1 629 498 176 ARG CB C 33.876 0.3 1 630 498 176 ARG N N 119.091 0.3 1 631 500 178 ILE H H 6.504 0.020 1 632 500 178 ILE CA C 59.281 0.3 1 633 500 178 ILE CB C 39.477 0.3 1 634 500 178 ILE N N 117.529 0.3 1 635 501 179 THR H H 7.793 0.020 1 636 501 179 THR CA C 60.804 0.3 1 637 501 179 THR CB C 70.455 0.3 1 638 501 179 THR N N 120.294 0.3 1 639 502 180 PRO CA C 62.154 0.3 1 640 503 181 MET H H 7.873 0.020 1 641 503 181 MET CA C 54.964 0.3 1 642 503 181 MET CB C 33.396 0.3 1 643 503 181 MET N N 115.511 0.3 1 644 504 182 ASN H H 10.603 0.020 1 645 504 182 ASN CA C 55.722 0.3 1 646 504 182 ASN CB C 39.480 0.3 1 647 504 182 ASN N N 118.472 0.3 1 648 505 183 THR H H 7.610 0.020 1 649 505 183 THR CA C 60.804 0.3 1 650 505 183 THR CB C 70.451 0.3 1 651 505 183 THR N N 116.911 0.3 1 652 506 184 ILE H H 7.998 0.020 1 653 506 184 ILE CA C 62.073 0.3 1 654 506 184 ILE CB C 37.446 0.3 1 655 506 184 ILE N N 124.946 0.3 1 656 507 185 ARG H H 7.375 0.020 1 657 507 185 ARG CA C 54.716 0.3 1 658 507 185 ARG CB C 34.663 0.3 1 659 507 185 ARG N N 118.149 0.3 1 660 508 186 SER H H 8.847 0.020 1 661 508 186 SER CA C 56.487 0.3 1 662 508 186 SER CB C 64.108 0.3 1 663 508 186 SER N N 116.911 0.3 1 664 509 187 GLY H H 9.279 0.020 1 665 509 187 GLY CA C 47.348 0.3 1 666 509 187 GLY N N 114.829 0.3 1 667 510 188 ALA H H 7.990 0.020 1 668 510 188 ALA CA C 50.649 0.3 1 669 510 188 ALA CB C 19.165 0.3 1 670 510 188 ALA N N 120.034 0.3 1 671 511 189 GLY H H 9.140 0.020 1 672 511 189 GLY CA C 44.816 0.3 1 673 511 189 GLY N N 107.932 0.3 1 674 512 190 VAL H H 8.686 0.020 1 675 512 190 VAL CA C 59.280 0.3 1 676 512 190 VAL CB C 34.148 0.3 1 677 512 190 VAL N N 128.524 0.3 1 678 514 192 VAL H H 8.422 0.020 1 679 514 192 VAL CA C 59.792 0.3 1 680 514 192 VAL CB C 33.641 0.3 1 681 514 192 VAL N N 119.188 0.3 1 682 515 193 LEU H H 8.568 0.020 1 683 515 193 LEU CA C 54.463 0.3 1 684 515 193 LEU CB C 43.283 0.3 1 685 515 193 LEU N N 126.637 0.3 1 686 516 194 HIS H H 9.315 0.020 1 687 516 194 HIS CA C 54.707 0.3 1 688 516 194 HIS CB C 27.795 0.3 1 689 516 194 HIS N N 127.418 0.3 1 690 518 196 CYS H H 7.624 0.020 1 691 518 196 CYS CA C 56.746 0.3 1 692 518 196 CYS CB C 31.353 0.3 1 693 518 196 CYS N N 113.690 0.3 1 694 519 197 ILE H H 7.895 0.020 1 695 519 197 ILE CA C 59.283 0.3 1 696 519 197 ILE CB C 37.684 0.3 1 697 519 197 ILE N N 121.302 0.3 1 698 521 199 ALA H H 9.447 0.020 1 699 521 199 ALA CA C 51.663 0.3 1 700 521 199 ALA CB C 17.641 0.3 1 701 521 199 ALA N N 129.338 0.3 1 702 524 202 GLY H H 9.491 0.020 1 703 524 202 GLY CA C 42.013 0.3 1 704 524 202 GLY N N 107.607 0.3 1 705 525 203 TYR H H 9.096 0.020 1 706 525 203 TYR CA C 54.965 0.3 1 707 525 203 TYR CB C 41.251 0.3 1 708 525 203 TYR N N 120.457 0.3 1 709 526 204 ASP H H 7.829 0.020 1 710 526 204 ASP CA C 52.679 0.3 1 711 526 204 ASP CB C 41.004 0.3 1 712 526 204 ASP N N 124.783 0.3 1 713 528 206 GLN H H 8.371 0.020 1 714 528 206 GLN CA C 56.742 0.3 1 715 528 206 GLN CB C 30.844 0.3 1 716 528 206 GLN N N 120.099 0.3 1 717 529 207 ASP H H 9.608 0.020 1 718 529 207 ASP CA C 52.934 0.3 1 719 529 207 ASP CB C 43.792 0.3 1 720 529 207 ASP N N 121.921 0.3 1 721 530 208 GLN H H 8.012 0.020 1 722 530 208 GLN CA C 55.470 0.3 1 723 530 208 GLN CB C 26.019 0.3 1 724 530 208 GLN N N 119.351 0.3 1 725 531 209 LEU H H 8.802 0.020 1 726 531 209 LEU CA C 54.193 0.3 1 727 531 209 LEU CB C 43.286 0.3 1 728 531 209 LEU N N 123.449 0.3 1 729 532 210 ASN H H 8.517 0.020 1 730 532 210 ASN CA C 50.393 0.3 1 731 532 210 ASN CB C 36.938 0.3 1 732 532 210 ASN N N 116.618 0.3 1 733 533 211 SER H H 7.185 0.020 1 734 533 211 SER CA C 56.491 0.3 1 735 533 211 SER CB C 64.614 0.3 1 736 533 211 SER N N 115.512 0.3 1 737 534 212 VAL H H 9.740 0.020 1 738 534 212 VAL CA C 60.551 0.3 1 739 534 212 VAL CB C 34.147 0.3 1 740 534 212 VAL N N 123.905 0.3 1 741 536 214 ARG H H 7.829 0.020 1 742 536 214 ARG CA C 53.436 0.3 1 743 536 214 ARG CB C 30.844 0.3 1 744 536 214 ARG N N 120.131 0.3 1 745 538 216 ASP H H 6.892 0.020 1 746 538 216 ASP CA C 51.412 0.3 1 747 538 216 ASP CB C 42.018 0.3 1 748 538 216 ASP N N 126.377 0.3 1 749 539 217 VAL H H 7.668 0.020 1 750 539 217 VAL CA C 63.599 0.3 1 751 539 217 VAL CB C 31.109 0.3 1 752 539 217 VAL N N 122.864 0.3 1 753 540 218 GLU H H 8.239 0.020 1 754 540 218 GLU CA C 58.011 0.3 1 755 540 218 GLU CB C 28.813 0.3 1 756 540 218 GLU N N 118.798 0.3 1 757 541 219 THR H H 7.236 0.020 1 758 541 219 THR CA C 60.806 0.3 1 759 541 219 THR CB C 68.928 0.3 1 760 541 219 THR N N 106.859 0.3 1 761 542 220 GLU H H 7.968 0.020 1 762 542 220 GLU CA C 56.492 0.3 1 763 542 220 GLU CB C 25.764 0.3 1 764 542 220 GLU N N 119.611 0.3 1 765 543 221 THR H H 6.716 0.020 1 766 543 221 THR CA C 59.789 0.3 1 767 543 221 THR CB C 71.977 0.3 1 768 543 221 THR N N 109.852 0.3 1 769 544 222 TRP H H 8.978 0.020 1 770 544 222 TRP CA C 55.474 0.3 1 771 544 222 TRP CB C 29.828 0.3 1 772 544 222 TRP N N 125.629 0.3 1 773 545 223 THR H H 9.125 0.020 1 774 545 223 THR CA C 59.783 0.3 1 775 545 223 THR CB C 71.467 0.3 1 776 545 223 THR N N 117.691 0.3 1 777 546 224 PHE H H 8.744 0.020 1 778 546 224 PHE CA C 59.533 0.3 1 779 546 224 PHE CB C 39.224 0.3 1 780 546 224 PHE N N 122.213 0.3 1 781 547 225 VAL H H 8.767 0.020 1 782 547 225 VAL CA C 61.819 0.3 1 783 547 225 VAL CB C 33.968 0.3 1 784 547 225 VAL N N 125.174 0.3 1 785 549 227 PRO CA C 61.314 0.3 1 786 549 227 PRO CB C 31.355 0.3 1 787 550 228 MET H H 7.734 0.020 1 788 550 228 MET CA C 55.216 0.3 1 789 550 228 MET CB C 34.146 0.3 1 790 550 228 MET N N 115.317 0.3 1 791 552 230 HIS H H 8.151 0.020 1 792 552 230 HIS CA C 54.204 0.3 1 793 552 230 HIS CB C 30.336 0.3 1 794 552 230 HIS N N 116.651 0.3 1 795 553 231 HIS H H 8.561 0.020 1 796 553 231 HIS CA C 55.205 0.3 1 797 553 231 HIS CB C 28.309 0.3 1 798 553 231 HIS N N 121.302 0.3 1 799 554 232 ARG H H 7.829 0.020 1 800 554 232 ARG CA C 54.718 0.3 1 801 554 232 ARG CB C 34.654 0.3 1 802 554 232 ARG N N 113.820 0.3 1 803 555 233 SER H H 8.839 0.020 1 804 555 233 SER CA C 56.491 0.3 1 805 555 233 SER CB C 65.122 0.3 1 806 555 233 SER N N 114.536 0.3 1 807 556 234 ALA H H 9.791 0.020 1 808 556 234 ALA CA C 52.931 0.3 1 809 556 234 ALA CB C 15.866 0.3 1 810 556 234 ALA N N 122.018 0.3 1 811 557 235 LEU H H 7.075 0.020 1 812 557 235 LEU CA C 54.206 0.3 1 813 557 235 LEU CB C 42.526 0.3 1 814 557 235 LEU N N 113.820 0.3 1 815 558 236 GLY H H 8.803 0.020 1 816 558 236 GLY CA C 43.796 0.3 1 817 558 236 GLY N N 109.103 0.3 1 818 559 237 ILE H H 8.825 0.020 1 819 559 237 ILE CA C 59.027 0.3 1 820 559 237 ILE CB C 42.523 0.3 1 821 559 237 ILE N N 124.718 0.3 1 822 560 238 THR H H 8.210 0.020 1 823 560 238 THR CA C 59.791 0.3 1 824 560 238 THR CB C 69.184 0.3 1 825 560 238 THR N N 116.651 0.3 1 826 561 239 VAL H H 8.467 0.020 1 827 561 239 VAL CA C 55.219 0.3 1 828 561 239 VAL CB C 32.369 0.3 1 829 561 239 VAL N N 120.779 0.3 1 830 562 240 HIS H H 8.166 0.020 1 831 562 240 HIS CA C 53.442 0.3 1 832 562 240 HIS CB C 28.561 0.3 1 833 562 240 HIS N N 122.799 0.3 1 834 564 242 GLY H H 8.364 0.020 1 835 564 242 GLY CA C 45.575 0.3 1 836 564 242 GLY N N 104.094 0.3 1 837 565 243 LYS H H 7.551 0.020 1 838 565 243 LYS CA C 53.949 0.3 1 839 565 243 LYS CB C 35.413 0.3 1 840 565 243 LYS N N 116.976 0.3 1 841 570 248 GLY H H 7.405 0.020 1 842 570 248 GLY CA C 46.335 0.3 1 843 570 248 GLY N N 107.932 0.3 1 844 571 249 GLY H H 8.920 0.020 1 845 571 249 GLY CA C 42.272 0.3 1 846 571 249 GLY N N 106.956 0.3 1 847 572 250 TYR H H 9.044 0.020 1 848 572 250 TYR CA C 54.962 0.3 1 849 572 250 TYR CB C 41.254 0.3 1 850 572 250 TYR N N 121.335 0.3 1 851 573 251 ASP H H 7.712 0.020 1 852 573 251 ASP CA C 52.426 0.3 1 853 573 251 ASP CB C 42.019 0.3 1 854 573 251 ASP N N 124.718 0.3 1 855 574 252 GLY H H 8.276 0.020 1 856 574 252 GLY CA C 44.300 0.3 1 857 574 252 GLY N N 111.869 0.3 1 858 575 253 HIS H H 8.166 0.020 1 859 575 253 HIS CA C 56.994 0.3 1 860 575 253 HIS CB C 31.605 0.3 1 861 575 253 HIS N N 118.179 0.3 1 862 576 254 THR H H 9.491 0.020 1 863 576 254 THR CA C 59.788 0.3 1 864 576 254 THR CB C 70.453 0.3 1 865 576 254 THR N N 118.635 0.3 1 866 577 255 PHE H H 8.232 0.020 1 867 577 255 PHE CA C 57.503 0.3 1 868 577 255 PHE CB C 37.957 0.3 1 869 577 255 PHE N N 122.474 0.3 1 870 578 256 LEU H H 8.891 0.020 1 871 578 256 LEU CA C 54.965 0.3 1 872 578 256 LEU CB C 42.524 0.3 1 873 578 256 LEU N N 125.336 0.3 1 874 579 257 ASP H H 8.071 0.020 1 875 579 257 ASP CA C 51.405 0.3 1 876 579 257 ASP CB C 39.985 0.3 1 877 579 257 ASP N N 116.065 0.3 1 878 580 258 SER H H 6.848 0.020 1 879 580 258 SER CA C 59.029 0.3 1 880 580 258 SER CB C 62.327 0.3 1 881 580 258 SER N N 114.569 0.3 1 882 581 259 VAL H H 7.990 0.020 1 883 581 259 VAL CA C 60.043 0.3 1 884 581 259 VAL CB C 32.111 0.3 1 885 581 259 VAL N N 130.509 0.3 1 886 583 261 CYS H H 7.492 0.020 1 887 583 261 CYS CA C 54.203 0.3 1 888 583 261 CYS CB C 32.365 0.3 1 889 583 261 CYS N N 118.830 0.3 1 890 584 262 TYR H H 9.798 0.020 1 891 584 262 TYR CA C 52.172 0.3 1 892 584 262 TYR CB C 38.970 0.3 1 893 584 262 TYR N N 125.011 0.3 1 894 585 263 ASP H H 8.583 0.020 1 895 585 263 ASP CA C 57.756 0.3 1 896 585 263 ASP CB C 38.972 0.3 1 897 585 263 ASP N N 123.937 0.3 1 898 586 264 PRO CA C 63.347 0.3 1 899 586 264 PRO CB C 30.592 0.3 1 900 587 265 ASP H H 7.880 0.020 1 901 587 265 ASP CA C 56.491 0.3 1 902 587 265 ASP CB C 39.733 0.3 1 903 587 265 ASP N N 119.578 0.3 1 904 588 266 SER H H 6.936 0.020 1 905 588 266 SER CA C 56.994 0.3 1 906 588 266 SER CB C 63.598 0.3 1 907 588 266 SER N N 110.372 0.3 1 908 589 267 ASP H H 7.932 0.020 1 909 589 267 ASP CA C 54.205 0.3 1 910 589 267 ASP CB C 38.969 0.3 1 911 589 267 ASP N N 124.425 0.3 1 912 590 268 THR H H 6.570 0.020 1 913 590 268 THR CA C 59.284 0.3 1 914 590 268 THR CB C 72.486 0.3 1 915 590 268 THR N N 105.655 0.3 1 916 591 269 TRP H H 8.788 0.020 1 917 591 269 TRP CA C 55.727 0.3 1 918 591 269 TRP CB C 30.589 0.3 1 919 591 269 TRP N N 124.165 0.3 1 920 592 270 SER H H 9.103 0.020 1 921 592 270 SER CA C 56.488 0.3 1 922 592 270 SER CB C 65.123 0.3 1 923 592 270 SER N N 116.097 0.3 1 924 593 271 GLU H H 9.081 0.020 1 925 593 271 GLU CA C 56.489 0.3 1 926 593 271 GLU CB C 29.319 0.3 1 927 593 271 GLU N N 125.011 0.3 1 928 594 272 VAL H H 8.283 0.020 1 929 594 272 VAL CA C 61.567 0.3 1 930 594 272 VAL CB C 32.888 0.3 1 931 594 272 VAL N N 119.546 0.3 1 932 595 273 THR H H 7.602 0.020 1 933 595 273 THR CA C 60.293 0.3 1 934 595 273 THR CB C 66.896 0.3 1 935 595 273 THR N N 113.983 0.3 1 936 596 274 ARG H H 8.276 0.020 1 937 596 274 ARG CA C 53.697 0.3 1 938 596 274 ARG CB C 32.369 0.3 1 939 596 274 ARG N N 120.359 0.3 1 940 597 275 MET H H 9.169 0.020 1 941 597 275 MET CA C 54.967 0.3 1 942 597 275 MET CB C 34.399 0.3 1 943 597 275 MET N N 119.416 0.3 1 944 598 276 THR H H 8.510 0.020 1 945 598 276 THR CA C 63.596 0.3 1 946 598 276 THR CB C 67.659 0.3 1 947 598 276 THR N N 111.999 0.3 1 948 599 277 SER H H 6.533 0.020 1 949 599 277 SER CA C 57.503 0.3 1 950 599 277 SER CB C 62.585 0.3 1 951 599 277 SER N N 108.941 0.3 1 952 600 278 GLY H H 8.473 0.020 1 953 600 278 GLY CA C 44.807 0.3 1 954 600 278 GLY N N 109.982 0.3 1 955 601 279 ARG H H 7.734 0.020 1 956 601 279 ARG CA C 55.221 0.3 1 957 601 279 ARG CB C 31.100 0.3 1 958 601 279 ARG N N 114.308 0.3 1 959 602 280 SER H H 9.125 0.020 1 960 602 280 SER CA C 55.983 0.3 1 961 602 280 SER CB C 66.136 0.3 1 962 602 280 SER N N 114.406 0.3 1 963 603 281 GLY H H 9.630 0.020 1 964 603 281 GLY CA C 48.110 0.3 1 965 603 281 GLY N N 106.664 0.3 1 966 604 282 VAL H H 6.658 0.020 1 967 604 282 VAL CA C 59.277 0.3 1 968 604 282 VAL CB C 31.861 0.3 1 969 604 282 VAL N N 108.420 0.3 1 970 605 283 GLY H H 8.898 0.020 1 971 605 283 GLY CA C 44.045 0.3 1 972 605 283 GLY N N 108.843 0.3 1 973 606 284 VAL H H 8.898 0.020 1 974 606 284 VAL CA C 59.279 0.3 1 975 606 284 VAL CB C 34.656 0.3 1 976 606 284 VAL N N 123.092 0.3 1 977 607 285 ALA H H 8.576 0.020 1 978 607 285 ALA CA C 51.158 0.3 1 979 607 285 ALA CB C 21.943 0.3 1 980 607 285 ALA N N 124.198 0.3 1 981 608 286 VAL H H 8.261 0.020 1 982 608 286 VAL CA C 59.541 0.3 1 983 608 286 VAL CB C 34.395 0.3 1 984 608 286 VAL N N 119.351 0.3 1 985 610 288 MET H H 8.100 0.020 1 986 610 288 MET CA C 60.552 0.3 1 987 610 288 MET CB C 33.893 0.3 1 988 610 288 MET N N 122.311 0.3 1 989 611 289 GLU H H 9.015 0.020 1 990 611 289 GLU CA C 56.489 0.3 1 991 611 289 GLU CB C 33.130 0.3 1 992 611 289 GLU N N 126.182 0.3 1 stop_ save_