data_26951 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for USP7 catalytic domain ; _BMRB_accession_number 26951 _BMRB_flat_file_name bmr26951.str _Entry_type original _Submission_date 2016-11-22 _Accession_date 2016-11-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pozhidaeva Alexandra K. . 2 Bezsonova Irina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 284 "13C chemical shifts" 872 "15N chemical shifts" 284 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-04-13 update BMRB 'update entry citation' 2016-12-01 original author 'original release' stop_ _Original_release_date 2016-11-22 save_ ############################# # Citation for this entry # ############################# save_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; USP7-Specific Inhibitors Target and Modify the Enzyme's Active Site via Distinct Chemical Mechanisms ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29056420 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Pozhidaeva Alexandra . . 2 Valles Gabrielle . . 3 Wang Feng . . 4 Wu Jian . . 5 Sterner David E. . 6 Nguyen Phuong . . 7 Weinstock Joseph . . 8 Kumar K . . 9 Kanyo Jean . . 10 Wright Dennis . . 11 Bezsonova Irina . . stop_ _Journal_abbreviation 'Cell Chem. Biol.' _Journal_name_full 'Cell chemical biology' _Journal_volume 24 _Journal_issue 12 _Journal_ISSN 2451-9448 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1501 _Page_last 11512.e5 _Year 2017 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'USP7 catalytic domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'USP7 catalytic domain' $USP7 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_USP7 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common USP7 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 356 _Mol_residue_sequence ; GSSKKHTGYVGLKNQGATCY MNSLLQTLFFTNQLRKAVYM MPTEGDDSSKSVPLALQRVF YELQHSDKPVGTKKLTKSFG WETLDSFMQHDVQELCRVLL DNVENKMKGTCVEGTIPKLF RGKMVSYIQCKEVDYRSDRR EDYYDIQLSIKGKKNIFESF VDYVAVEQLDGDNKYDAGEH GLQEAEKGVKFLTLPPVLHL QLMRFMYDPQTDQNIKINDR FEFPEQLPLDEFLQKTDPKD PANYILHAVLVHSGDNHGGH YVVYLNPKGDGKWCKFDDDV VSRCTKEEAIEHNYGGHDDD LSVRHCTNAYMLVYIRESKL SEVLQAVTDHDIPQQLVERL QEEKRIEAQKRKERQE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 205 GLY 2 206 SER 3 207 SER 4 208 LYS 5 209 LYS 6 210 HIS 7 211 THR 8 212 GLY 9 213 TYR 10 214 VAL 11 215 GLY 12 216 LEU 13 217 LYS 14 218 ASN 15 219 GLN 16 220 GLY 17 221 ALA 18 222 THR 19 223 CYS 20 224 TYR 21 225 MET 22 226 ASN 23 227 SER 24 228 LEU 25 229 LEU 26 230 GLN 27 231 THR 28 232 LEU 29 233 PHE 30 234 PHE 31 235 THR 32 236 ASN 33 237 GLN 34 238 LEU 35 239 ARG 36 240 LYS 37 241 ALA 38 242 VAL 39 243 TYR 40 244 MET 41 245 MET 42 246 PRO 43 247 THR 44 248 GLU 45 249 GLY 46 250 ASP 47 251 ASP 48 252 SER 49 253 SER 50 254 LYS 51 255 SER 52 256 VAL 53 257 PRO 54 258 LEU 55 259 ALA 56 260 LEU 57 261 GLN 58 262 ARG 59 263 VAL 60 264 PHE 61 265 TYR 62 266 GLU 63 267 LEU 64 268 GLN 65 269 HIS 66 270 SER 67 271 ASP 68 272 LYS 69 273 PRO 70 274 VAL 71 275 GLY 72 276 THR 73 277 LYS 74 278 LYS 75 279 LEU 76 280 THR 77 281 LYS 78 282 SER 79 283 PHE 80 284 GLY 81 285 TRP 82 286 GLU 83 287 THR 84 288 LEU 85 289 ASP 86 290 SER 87 291 PHE 88 292 MET 89 293 GLN 90 294 HIS 91 295 ASP 92 296 VAL 93 297 GLN 94 298 GLU 95 299 LEU 96 300 CYS 97 301 ARG 98 302 VAL 99 303 LEU 100 304 LEU 101 305 ASP 102 306 ASN 103 307 VAL 104 308 GLU 105 309 ASN 106 310 LYS 107 311 MET 108 312 LYS 109 313 GLY 110 314 THR 111 315 CYS 112 316 VAL 113 317 GLU 114 318 GLY 115 319 THR 116 320 ILE 117 321 PRO 118 322 LYS 119 323 LEU 120 324 PHE 121 325 ARG 122 326 GLY 123 327 LYS 124 328 MET 125 329 VAL 126 330 SER 127 331 TYR 128 332 ILE 129 333 GLN 130 334 CYS 131 335 LYS 132 336 GLU 133 337 VAL 134 338 ASP 135 339 TYR 136 340 ARG 137 341 SER 138 342 ASP 139 343 ARG 140 344 ARG 141 345 GLU 142 346 ASP 143 347 TYR 144 348 TYR 145 349 ASP 146 350 ILE 147 351 GLN 148 352 LEU 149 353 SER 150 354 ILE 151 355 LYS 152 356 GLY 153 357 LYS 154 358 LYS 155 359 ASN 156 360 ILE 157 361 PHE 158 362 GLU 159 363 SER 160 364 PHE 161 365 VAL 162 366 ASP 163 367 TYR 164 368 VAL 165 369 ALA 166 370 VAL 167 371 GLU 168 372 GLN 169 373 LEU 170 374 ASP 171 375 GLY 172 376 ASP 173 377 ASN 174 378 LYS 175 379 TYR 176 380 ASP 177 381 ALA 178 382 GLY 179 383 GLU 180 384 HIS 181 385 GLY 182 386 LEU 183 387 GLN 184 388 GLU 185 389 ALA 186 390 GLU 187 391 LYS 188 392 GLY 189 393 VAL 190 394 LYS 191 395 PHE 192 396 LEU 193 397 THR 194 398 LEU 195 399 PRO 196 400 PRO 197 401 VAL 198 402 LEU 199 403 HIS 200 404 LEU 201 405 GLN 202 406 LEU 203 407 MET 204 408 ARG 205 409 PHE 206 410 MET 207 411 TYR 208 412 ASP 209 413 PRO 210 414 GLN 211 415 THR 212 416 ASP 213 417 GLN 214 418 ASN 215 419 ILE 216 420 LYS 217 421 ILE 218 422 ASN 219 423 ASP 220 424 ARG 221 425 PHE 222 426 GLU 223 427 PHE 224 428 PRO 225 429 GLU 226 430 GLN 227 431 LEU 228 432 PRO 229 433 LEU 230 434 ASP 231 435 GLU 232 436 PHE 233 437 LEU 234 438 GLN 235 439 LYS 236 440 THR 237 441 ASP 238 442 PRO 239 443 LYS 240 444 ASP 241 445 PRO 242 446 ALA 243 447 ASN 244 448 TYR 245 449 ILE 246 450 LEU 247 451 HIS 248 452 ALA 249 453 VAL 250 454 LEU 251 455 VAL 252 456 HIS 253 457 SER 254 458 GLY 255 459 ASP 256 460 ASN 257 461 HIS 258 462 GLY 259 463 GLY 260 464 HIS 261 465 TYR 262 466 VAL 263 467 VAL 264 468 TYR 265 469 LEU 266 470 ASN 267 471 PRO 268 472 LYS 269 473 GLY 270 474 ASP 271 475 GLY 272 476 LYS 273 477 TRP 274 478 CYS 275 479 LYS 276 480 PHE 277 481 ASP 278 482 ASP 279 483 ASP 280 484 VAL 281 485 VAL 282 486 SER 283 487 ARG 284 488 CYS 285 489 THR 286 490 LYS 287 491 GLU 288 492 GLU 289 493 ALA 290 494 ILE 291 495 GLU 292 496 HIS 293 497 ASN 294 498 TYR 295 499 GLY 296 500 GLY 297 501 HIS 298 502 ASP 299 503 ASP 300 504 ASP 301 505 LEU 302 506 SER 303 507 VAL 304 508 ARG 305 509 HIS 306 510 CYS 307 511 THR 308 512 ASN 309 513 ALA 310 514 TYR 311 515 MET 312 516 LEU 313 517 VAL 314 518 TYR 315 519 ILE 316 520 ARG 317 521 GLU 318 522 SER 319 523 LYS 320 524 LEU 321 525 SER 322 526 GLU 323 527 VAL 324 528 LEU 325 529 GLN 326 530 ALA 327 531 VAL 328 532 THR 329 533 ASP 330 534 HIS 331 535 ASP 332 536 ILE 333 537 PRO 334 538 GLN 335 539 GLN 336 540 LEU 337 541 VAL 338 542 GLU 339 543 ARG 340 544 LEU 341 545 GLN 342 546 GLU 343 547 GLU 344 548 LYS 345 549 ARG 346 550 ILE 347 551 GLU 348 552 ALA 349 553 GLN 350 554 LYS 351 555 ARG 352 556 LYS 353 557 GLU 354 558 ARG 355 559 GLN 356 560 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 NCBI NP_003461.2 USP7 . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $USP7 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $USP7 'recombinant technology' . Escherichia coli BL21 pET28a-LIC stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $USP7 0.43 mM '[U-13C; U-15N; U-2H]' HEPES 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' DTT 4 mM 'natural abundance' D2O 10 % 'natural abundance' 'sodium azide' 0.05 % 'natural abundance' H2O 90 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CcpNMR_Analysis _Saveframe_category software _Name CcpNMR_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Agilent _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio 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 HNCO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HN(CA)CO' '3D 1H-15N NOESY' 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 'USP7 catalytic domain' _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 1 212 8 GLY C C 173.124 0.018 1 2 212 8 GLY CA C 45.470 0.136 1 3 213 9 TYR H H 7.751 0.003 1 4 213 9 TYR C C 174.826 0.000 1 5 213 9 TYR CA C 56.364 0.145 1 6 213 9 TYR CB C 41.240 0.000 1 7 213 9 TYR N N 121.426 0.022 1 8 214 10 VAL C C 174.785 0.000 1 9 214 10 VAL CA C 61.221 0.000 1 10 215 11 GLY H H 8.454 0.003 1 11 215 11 GLY C C 171.229 0.000 1 12 215 11 GLY CA C 43.733 0.150 1 13 215 11 GLY N N 110.229 0.031 1 14 216 12 LEU H H 6.725 0.003 1 15 216 12 LEU C C 175.285 0.000 1 16 216 12 LEU CA C 54.132 0.000 1 17 216 12 LEU CB C 46.145 0.000 1 18 216 12 LEU N N 119.294 0.036 1 19 227 23 SER CA C 62.514 0.008 1 20 228 24 LEU H H 7.856 0.003 1 21 228 24 LEU C C 178.166 0.000 1 22 228 24 LEU CA C 57.776 0.104 1 23 228 24 LEU CB C 41.749 0.000 1 24 228 24 LEU N N 123.746 0.043 1 25 229 25 LEU H H 8.763 0.004 1 26 229 25 LEU C C 179.120 0.040 1 27 229 25 LEU CA C 59.224 0.128 1 28 229 25 LEU CB C 42.514 0.082 1 29 229 25 LEU N N 119.312 0.063 1 30 230 26 GLN H H 7.635 0.005 1 31 230 26 GLN C C 177.822 0.022 1 32 230 26 GLN CA C 59.311 0.114 1 33 230 26 GLN CB C 27.829 0.000 1 34 230 26 GLN N N 114.984 0.039 1 35 231 27 THR H H 7.084 0.006 1 36 231 27 THR C C 176.635 0.017 1 37 231 27 THR CA C 68.113 0.026 1 38 231 27 THR CB C 68.971 0.000 1 39 231 27 THR N N 113.658 0.070 1 40 232 28 LEU H H 8.090 0.005 1 41 232 28 LEU C C 178.262 0.057 1 42 232 28 LEU CA C 58.355 0.088 1 43 232 28 LEU CB C 43.329 0.000 1 44 232 28 LEU N N 119.208 0.061 1 45 233 29 PHE H H 8.398 0.004 1 46 233 29 PHE C C 177.192 0.062 1 47 233 29 PHE CA C 62.381 0.104 1 48 233 29 PHE CB C 39.051 0.048 1 49 233 29 PHE N N 121.684 0.054 1 50 234 30 PHE H H 7.629 0.003 1 51 234 30 PHE C C 174.439 0.010 1 52 234 30 PHE CA C 60.972 0.055 1 53 234 30 PHE CB C 37.657 0.000 1 54 234 30 PHE N N 113.865 0.035 1 55 235 31 THR H H 7.391 0.004 1 56 235 31 THR C C 176.523 0.000 1 57 235 31 THR CA C 61.192 0.058 1 58 235 31 THR CB C 66.425 0.079 1 59 235 31 THR N N 116.796 0.020 1 60 236 32 ASN H H 7.124 0.010 1 61 236 32 ASN C C 176.661 0.032 1 62 236 32 ASN CA C 58.904 0.158 1 63 236 32 ASN CB C 37.560 0.000 1 64 236 32 ASN N N 125.865 0.047 1 65 237 33 GLN H H 8.990 0.002 1 66 237 33 GLN C C 178.744 0.014 1 67 237 33 GLN CA C 60.704 0.091 1 68 237 33 GLN CB C 30.195 0.000 1 69 237 33 GLN N N 117.654 0.063 1 70 238 34 LEU H H 7.190 0.004 1 71 238 34 LEU C C 176.717 0.014 1 72 238 34 LEU CA C 58.050 0.019 1 73 238 34 LEU CB C 41.073 0.000 1 74 238 34 LEU N N 117.030 0.019 1 75 239 35 ARG H H 7.550 0.004 1 76 239 35 ARG C C 176.577 0.017 1 77 239 35 ARG CA C 60.597 0.104 1 78 239 35 ARG CB C 30.767 0.000 1 79 239 35 ARG N N 122.062 0.044 1 80 240 36 LYS H H 8.179 0.002 1 81 240 36 LYS C C 177.890 0.026 1 82 240 36 LYS CA C 60.806 0.066 1 83 240 36 LYS CB C 33.263 0.099 1 84 240 36 LYS N N 114.433 0.045 1 85 241 37 ALA H H 7.096 0.004 1 86 241 37 ALA C C 179.802 0.084 1 87 241 37 ALA CA C 56.046 0.048 1 88 241 37 ALA CB C 19.381 0.000 1 89 241 37 ALA N N 120.790 0.055 1 90 242 38 VAL H H 8.553 0.005 1 91 242 38 VAL C C 179.918 0.042 1 92 242 38 VAL CA C 66.913 0.085 1 93 242 38 VAL CB C 32.407 0.000 1 94 242 38 VAL N N 118.923 0.031 1 95 243 39 TYR H H 7.981 0.004 1 96 243 39 TYR C C 175.272 0.016 1 97 243 39 TYR CA C 59.502 0.072 1 98 243 39 TYR CB C 37.974 0.000 1 99 243 39 TYR N N 120.228 0.052 1 100 244 40 MET H H 7.383 0.003 1 101 244 40 MET C C 176.560 0.012 1 102 244 40 MET CA C 55.858 0.121 1 103 244 40 MET CB C 33.143 0.000 1 104 244 40 MET N N 114.275 0.042 1 105 245 41 MET H H 7.221 0.001 1 106 245 41 MET C C 175.098 0.000 1 107 245 41 MET CA C 56.107 0.111 1 108 245 41 MET CB C 33.179 0.000 1 109 245 41 MET N N 118.492 0.010 1 110 246 42 PRO C C 176.338 0.004 1 111 246 42 PRO CA C 63.845 0.095 1 112 247 43 THR H H 7.919 0.002 1 113 247 43 THR C C 175.991 0.008 1 114 247 43 THR CA C 61.044 0.052 1 115 247 43 THR CB C 70.022 0.000 1 116 247 43 THR N N 114.413 0.010 1 117 248 44 GLU H H 9.052 0.003 1 118 248 44 GLU C C 177.310 0.035 1 119 248 44 GLU CA C 60.538 0.174 1 120 248 44 GLU CB C 29.363 0.000 1 121 248 44 GLU N N 124.798 0.047 1 122 249 45 GLY H H 8.598 0.006 1 123 249 45 GLY C C 174.454 0.000 1 124 249 45 GLY CA C 45.388 0.094 1 125 249 45 GLY N N 108.812 0.039 1 126 250 46 ASP H H 7.788 0.006 1 127 250 46 ASP C C 175.745 0.008 1 128 250 46 ASP CA C 55.004 0.139 1 129 250 46 ASP CB C 41.562 0.000 1 130 250 46 ASP N N 122.335 0.019 1 131 251 47 ASP H H 8.518 0.004 1 132 251 47 ASP CA C 54.581 0.000 1 133 251 47 ASP CB C 43.628 0.000 1 134 251 47 ASP N N 122.091 0.074 1 135 252 48 SER C C 175.148 0.000 1 136 253 49 SER H H 8.535 0.002 1 137 253 49 SER C C 175.049 0.005 1 138 253 49 SER CA C 60.368 0.018 1 139 253 49 SER N N 115.627 0.012 1 140 254 50 LYS H H 7.806 0.005 1 141 254 50 LYS C C 176.086 0.003 1 142 254 50 LYS CA C 56.586 0.102 1 143 254 50 LYS CB C 34.381 0.089 1 144 254 50 LYS N N 118.973 0.025 1 145 255 51 SER H H 7.265 0.003 1 146 255 51 SER C C 175.128 0.021 1 147 255 51 SER CA C 57.667 0.125 1 148 255 51 SER CB C 63.563 0.025 1 149 255 51 SER N N 111.905 0.038 1 150 256 52 VAL H H 9.076 0.002 1 151 256 52 VAL C C 174.688 0.000 1 152 256 52 VAL CA C 67.086 0.102 1 153 256 52 VAL CB C 30.299 0.000 1 154 256 52 VAL N N 131.862 0.052 1 155 257 53 PRO C C 177.553 0.056 1 156 257 53 PRO CA C 67.806 0.024 1 157 258 54 LEU H H 7.897 0.003 1 158 258 54 LEU C C 178.058 0.024 1 159 258 54 LEU CA C 57.425 0.108 1 160 258 54 LEU CB C 42.642 0.000 1 161 258 54 LEU N N 118.206 0.033 1 162 259 55 ALA H H 7.937 0.003 1 163 259 55 ALA C C 181.256 0.000 1 164 259 55 ALA CA C 55.315 0.096 1 165 259 55 ALA CB C 18.624 0.000 1 166 259 55 ALA N N 121.103 0.020 1 167 260 56 LEU C C 177.912 0.000 1 168 260 56 LEU CA C 57.667 0.183 1 169 261 57 GLN H H 7.841 0.001 1 170 261 57 GLN C C 177.981 0.030 1 171 261 57 GLN CA C 61.032 0.122 1 172 261 57 GLN CB C 29.746 0.000 1 173 261 57 GLN N N 117.967 0.056 1 174 262 58 ARG H H 8.478 0.003 1 175 262 58 ARG C C 177.774 0.010 1 176 262 58 ARG CA C 60.856 0.102 1 177 262 58 ARG CB C 30.081 0.000 1 178 262 58 ARG N N 117.994 0.018 1 179 263 59 VAL H H 7.701 0.004 1 180 263 59 VAL C C 177.803 0.049 1 181 263 59 VAL CA C 67.069 0.098 1 182 263 59 VAL CB C 36.439 0.000 1 183 263 59 VAL N N 117.849 0.030 1 184 264 60 PHE H H 8.530 0.001 1 185 264 60 PHE C C 176.292 0.016 1 186 264 60 PHE CA C 58.238 0.090 1 187 264 60 PHE CB C 36.329 0.026 1 188 264 60 PHE N N 118.375 0.036 1 189 265 61 TYR H H 9.291 0.003 1 190 265 61 TYR C C 180.315 0.070 1 191 265 61 TYR CA C 63.892 0.081 1 192 265 61 TYR CB C 39.859 0.000 1 193 265 61 TYR N N 120.610 0.033 1 194 266 62 GLU H H 8.792 0.003 1 195 266 62 GLU C C 179.053 0.054 1 196 266 62 GLU CA C 60.679 0.109 1 197 266 62 GLU CB C 30.985 0.000 1 198 266 62 GLU N N 121.366 0.035 1 199 267 63 LEU H H 8.868 0.005 1 200 267 63 LEU C C 178.925 0.030 1 201 267 63 LEU CA C 58.441 0.072 1 202 267 63 LEU CB C 40.695 0.000 1 203 267 63 LEU N N 123.002 0.031 1 204 268 64 GLN H H 8.033 0.003 1 205 268 64 GLN C C 175.915 0.005 1 206 268 64 GLN CA C 57.888 0.044 1 207 268 64 GLN CB C 29.156 0.000 1 208 268 64 GLN N N 117.641 0.061 1 209 269 65 HIS H H 7.547 0.004 1 210 269 65 HIS C C 174.876 0.016 1 211 269 65 HIS CA C 58.874 0.152 1 212 269 65 HIS CB C 32.032 0.000 1 213 269 65 HIS N N 114.796 0.043 1 214 270 66 SER H H 9.258 0.003 1 215 270 66 SER C C 174.400 0.006 1 216 270 66 SER CA C 59.562 0.044 1 217 270 66 SER CB C 64.943 0.000 1 218 270 66 SER N N 116.810 0.033 1 219 271 67 ASP H H 8.397 0.004 1 220 271 67 ASP C C 175.639 0.000 1 221 271 67 ASP CA C 54.318 0.027 1 222 271 67 ASP CB C 41.500 0.000 1 223 271 67 ASP N N 121.863 0.018 1 224 272 68 LYS H H 8.031 0.002 1 225 272 68 LYS C C 172.845 0.000 1 226 272 68 LYS CA C 53.909 0.029 1 227 272 68 LYS CB C 34.071 0.000 1 228 272 68 LYS N N 121.829 0.043 1 229 273 69 PRO C C 176.422 0.030 1 230 273 69 PRO CA C 63.738 0.028 1 231 273 69 PRO CB C 32.472 0.000 1 232 274 70 VAL H H 8.252 0.003 1 233 274 70 VAL C C 175.940 0.037 1 234 274 70 VAL CA C 63.986 0.056 1 235 274 70 VAL CB C 35.300 0.000 1 236 274 70 VAL N N 126.700 0.038 1 237 275 71 GLY H H 8.736 0.004 1 238 275 71 GLY C C 174.525 0.000 1 239 275 71 GLY CA C 45.616 0.117 1 240 275 71 GLY N N 114.017 0.047 1 241 276 72 THR C C 179.352 0.000 1 242 276 72 THR CA C 60.057 0.060 1 243 277 73 LYS H H 7.354 0.002 1 244 277 73 LYS C C 179.112 0.030 1 245 277 73 LYS CA C 59.535 0.072 1 246 277 73 LYS CB C 32.385 0.000 1 247 277 73 LYS N N 117.819 0.050 1 248 278 74 LYS H H 7.876 0.002 1 249 278 74 LYS C C 179.180 0.056 1 250 278 74 LYS CA C 60.190 0.121 1 251 278 74 LYS CB C 30.602 0.000 1 252 278 74 LYS N N 122.239 0.046 1 253 279 75 LEU H H 7.256 0.006 1 254 279 75 LEU C C 178.324 0.047 1 255 279 75 LEU CA C 58.074 0.075 1 256 279 75 LEU CB C 41.378 0.000 1 257 279 75 LEU N N 120.207 0.027 1 258 280 76 THR H H 8.206 0.004 1 259 280 76 THR C C 176.895 0.041 1 260 280 76 THR CA C 66.180 0.092 1 261 280 76 THR CB C 67.955 0.000 1 262 280 76 THR N N 112.524 0.052 1 263 281 77 LYS H H 7.483 0.006 1 264 281 77 LYS C C 179.141 0.032 1 265 281 77 LYS CA C 59.294 0.092 1 266 281 77 LYS CB C 32.314 0.000 1 267 281 77 LYS N N 119.900 0.047 1 268 282 78 SER H H 7.305 0.004 1 269 282 78 SER C C 175.093 0.000 1 270 282 78 SER CA C 62.944 0.000 1 271 282 78 SER N N 116.070 0.027 1 272 283 79 PHE H H 6.815 0.002 1 273 283 79 PHE C C 176.334 0.010 1 274 283 79 PHE CA C 57.243 0.027 1 275 283 79 PHE CB C 38.780 0.000 1 276 283 79 PHE N N 115.651 0.022 1 277 284 80 GLY H H 7.449 0.002 1 278 284 80 GLY C C 175.094 0.031 1 279 284 80 GLY CA C 47.456 0.103 1 280 284 80 GLY N N 108.628 0.015 1 281 285 81 TRP H H 6.821 0.003 1 282 285 81 TRP C C 174.548 0.012 1 283 285 81 TRP CA C 55.603 0.104 1 284 285 81 TRP CB C 29.147 0.044 1 285 285 81 TRP N N 122.874 0.023 1 286 286 82 GLU H H 8.150 0.005 1 287 286 82 GLU C C 176.623 0.027 1 288 286 82 GLU CA C 57.616 0.010 1 289 286 82 GLU CB C 32.665 0.000 1 290 286 82 GLU N N 117.626 0.061 1 291 287 83 THR H H 7.654 0.005 1 292 287 83 THR C C 175.355 0.000 1 293 287 83 THR CA C 60.599 0.130 1 294 287 83 THR CB C 72.355 0.000 1 295 287 83 THR N N 109.428 0.032 1 296 290 86 SER C C 175.793 0.000 1 297 291 87 PHE H H 7.707 0.005 1 298 291 87 PHE C C 178.445 0.010 1 299 291 87 PHE CA C 61.918 0.000 1 300 291 87 PHE N N 119.504 0.030 1 301 292 88 MET H H 8.072 0.005 1 302 292 88 MET C C 177.355 0.000 1 303 292 88 MET CA C 57.632 0.141 1 304 292 88 MET CB C 32.220 0.000 1 305 292 88 MET N N 117.748 0.036 1 306 293 89 GLN H H 7.309 0.003 1 307 293 89 GLN C C 174.925 0.004 1 308 293 89 GLN CA C 56.377 0.070 1 309 293 89 GLN CB C 29.151 0.000 1 310 293 89 GLN N N 116.125 0.030 1 311 294 90 HIS H H 7.057 0.004 1 312 294 90 HIS C C 172.481 0.032 1 313 294 90 HIS CA C 55.155 0.081 1 314 294 90 HIS CB C 33.265 0.000 1 315 294 90 HIS N N 116.547 0.038 1 316 295 91 ASP H H 8.064 0.003 1 317 295 91 ASP C C 176.589 0.000 1 318 295 91 ASP CA C 53.454 0.150 1 319 295 91 ASP CB C 43.793 0.000 1 320 295 91 ASP N N 119.199 0.052 1 321 297 93 GLN C C 178.440 0.000 1 322 297 93 GLN CA C 59.015 0.030 1 323 298 94 GLU H H 8.055 0.006 1 324 298 94 GLU C C 179.383 0.037 1 325 298 94 GLU CA C 59.914 0.078 1 326 298 94 GLU CB C 30.645 0.000 1 327 298 94 GLU N N 121.879 0.027 1 328 299 95 LEU H H 7.728 0.003 1 329 299 95 LEU C C 176.922 0.038 1 330 299 95 LEU CA C 57.989 0.086 1 331 299 95 LEU CB C 40.703 0.000 1 332 299 95 LEU N N 119.416 0.041 1 333 300 96 CYS H H 8.287 0.004 1 334 300 96 CYS C C 175.658 0.019 1 335 300 96 CYS CA C 64.244 0.109 1 336 300 96 CYS CB C 26.967 0.000 1 337 300 96 CYS N N 118.633 0.048 1 338 301 97 ARG H H 7.791 0.002 1 339 301 97 ARG C C 178.264 0.019 1 340 301 97 ARG CA C 59.628 0.064 1 341 301 97 ARG CB C 30.684 0.000 1 342 301 97 ARG N N 117.531 0.026 1 343 302 98 VAL H H 7.748 0.006 1 344 302 98 VAL C C 179.638 0.016 1 345 302 98 VAL CA C 66.873 0.085 1 346 302 98 VAL CB C 32.515 0.000 1 347 302 98 VAL N N 119.120 0.053 1 348 303 99 LEU H H 7.772 0.002 1 349 303 99 LEU C C 178.226 0.040 1 350 303 99 LEU CA C 58.914 0.151 1 351 303 99 LEU CB C 42.201 0.000 1 352 303 99 LEU N N 119.016 0.027 1 353 304 100 LEU H H 8.637 0.002 1 354 304 100 LEU C C 179.055 0.051 1 355 304 100 LEU CA C 58.312 0.074 1 356 304 100 LEU CB C 40.098 0.000 1 357 304 100 LEU N N 116.359 0.044 1 358 305 101 ASP H H 8.904 0.002 1 359 305 101 ASP C C 179.320 0.021 1 360 305 101 ASP CA C 58.310 0.072 1 361 305 101 ASP CB C 40.922 0.000 1 362 305 101 ASP N N 120.821 0.045 1 363 306 102 ASN H H 7.198 0.002 1 364 306 102 ASN C C 178.710 0.023 1 365 306 102 ASN CA C 57.800 0.039 1 366 306 102 ASN CB C 40.875 0.000 1 367 306 102 ASN N N 116.851 0.014 1 368 307 103 VAL H H 7.718 0.004 1 369 307 103 VAL C C 176.766 0.005 1 370 307 103 VAL CA C 66.404 0.009 1 371 307 103 VAL CB C 31.745 0.000 1 372 307 103 VAL N N 115.553 0.052 1 373 308 104 GLU H H 8.897 0.003 1 374 308 104 GLU C C 180.534 0.000 1 375 308 104 GLU CA C 60.219 0.142 1 376 308 104 GLU CB C 29.466 0.000 1 377 308 104 GLU N N 123.255 0.051 1 378 309 105 ASN H H 7.855 0.004 1 379 309 105 ASN C C 177.971 0.022 1 380 309 105 ASN CA C 57.500 0.145 1 381 309 105 ASN CB C 39.127 0.000 1 382 309 105 ASN N N 117.127 0.045 1 383 310 106 LYS H H 7.433 0.003 1 384 310 106 LYS C C 176.713 0.032 1 385 310 106 LYS CA C 56.079 0.111 1 386 310 106 LYS CB C 32.658 0.000 1 387 310 106 LYS N N 120.903 0.024 1 388 311 107 MET H H 7.642 0.003 1 389 311 107 MET C C 177.338 0.023 1 390 311 107 MET CA C 57.257 0.108 1 391 311 107 MET CB C 32.900 0.000 1 392 311 107 MET N N 114.386 0.041 1 393 312 108 LYS H H 7.403 0.002 1 394 312 108 LYS C C 177.461 0.027 1 395 312 108 LYS CA C 59.778 0.094 1 396 312 108 LYS CB C 32.563 0.000 1 397 312 108 LYS N N 124.567 0.026 1 398 313 109 GLY H H 9.705 0.003 1 399 313 109 GLY C C 174.414 0.002 1 400 313 109 GLY CA C 46.407 0.107 1 401 313 109 GLY N N 113.551 0.038 1 402 314 110 THR H H 7.595 0.002 1 403 314 110 THR C C 177.237 0.000 1 404 314 110 THR CA C 61.061 0.061 1 405 314 110 THR CB C 73.986 0.000 1 406 314 110 THR N N 109.062 0.043 1 407 315 111 CYS C C 175.193 0.000 1 408 315 111 CYS CA C 60.114 0.000 1 409 316 112 VAL H H 7.783 0.005 1 410 316 112 VAL C C 175.565 0.040 1 411 316 112 VAL CA C 61.136 0.027 1 412 316 112 VAL CB C 31.856 0.000 1 413 316 112 VAL N N 112.235 0.042 1 414 317 113 GLU H H 7.453 0.002 1 415 317 113 GLU C C 176.881 0.000 1 416 317 113 GLU CA C 59.841 0.079 1 417 317 113 GLU CB C 30.142 0.000 1 418 317 113 GLU N N 125.771 0.024 1 419 318 114 GLY C C 174.119 0.000 1 420 318 114 GLY CA C 45.937 0.006 1 421 319 115 THR H H 7.843 0.004 1 422 319 115 THR CA C 62.506 0.062 1 423 319 115 THR CB C 70.721 0.000 1 424 319 115 THR N N 120.433 0.020 1 425 321 117 PRO C C 178.573 0.000 1 426 321 117 PRO CA C 65.973 0.177 1 427 322 118 LYS H H 7.541 0.004 1 428 322 118 LYS C C 178.623 0.042 1 429 322 118 LYS CA C 60.374 0.141 1 430 322 118 LYS CB C 32.705 0.000 1 431 322 118 LYS N N 116.502 0.026 1 432 323 119 LEU H H 7.493 0.004 1 433 323 119 LEU C C 176.718 0.011 1 434 323 119 LEU CA C 57.895 0.151 1 435 323 119 LEU CB C 44.501 0.000 1 436 323 119 LEU N N 116.484 0.057 1 437 324 120 PHE H H 7.770 0.003 1 438 324 120 PHE C C 173.833 0.085 1 439 324 120 PHE CA C 59.481 0.067 1 440 324 120 PHE CB C 43.439 0.000 1 441 324 120 PHE N N 110.886 0.049 1 442 325 121 ARG H H 7.637 0.004 1 443 325 121 ARG C C 177.147 0.001 1 444 325 121 ARG CA C 55.721 0.092 1 445 325 121 ARG CB C 33.078 0.000 1 446 325 121 ARG N N 115.870 0.016 1 447 326 122 GLY H H 8.036 0.005 1 448 326 122 GLY C C 171.065 0.026 1 449 326 122 GLY CA C 43.453 0.121 1 450 326 122 GLY N N 115.404 0.027 1 451 327 123 LYS H H 7.690 0.003 1 452 327 123 LYS C C 175.937 0.011 1 453 327 123 LYS CA C 55.639 0.082 1 454 327 123 LYS CB C 36.784 0.000 1 455 327 123 LYS N N 117.850 0.015 1 456 328 124 MET H H 9.704 0.003 1 457 328 124 MET C C 173.222 0.026 1 458 328 124 MET CA C 55.147 0.060 1 459 328 124 MET CB C 37.897 0.000 1 460 328 124 MET N N 125.094 0.035 1 461 329 125 VAL H H 9.119 0.003 1 462 329 125 VAL C C 173.318 0.056 1 463 329 125 VAL CA C 60.318 0.154 1 464 329 125 VAL CB C 36.305 0.064 1 465 329 125 VAL N N 120.165 0.029 1 466 330 126 SER H H 8.743 0.002 1 467 330 126 SER C C 174.258 0.018 1 468 330 126 SER CA C 57.196 0.128 1 469 330 126 SER CB C 64.532 0.035 1 470 330 126 SER N N 122.999 0.056 1 471 331 127 TYR H H 8.849 0.003 1 472 331 127 TYR C C 173.658 0.041 1 473 331 127 TYR CA C 56.170 0.143 1 474 331 127 TYR CB C 43.587 0.023 1 475 331 127 TYR N N 124.764 0.028 1 476 332 128 ILE H H 8.400 0.002 1 477 332 128 ILE C C 174.975 0.026 1 478 332 128 ILE CA C 61.340 0.081 1 479 332 128 ILE CB C 41.273 0.044 1 480 332 128 ILE N N 119.965 0.021 1 481 333 129 GLN H H 9.283 0.004 1 482 333 129 GLN C C 176.262 0.007 1 483 333 129 GLN CA C 54.279 0.111 1 484 333 129 GLN CB C 32.592 0.063 1 485 333 129 GLN N N 125.261 0.021 1 486 334 130 CYS H H 8.677 0.004 1 487 334 130 CYS C C 174.547 0.013 1 488 334 130 CYS CA C 62.214 0.114 1 489 334 130 CYS CB C 29.582 0.078 1 490 334 130 CYS N N 125.519 0.023 1 491 335 131 LYS H H 8.042 0.003 1 492 335 131 LYS C C 178.065 0.029 1 493 335 131 LYS CA C 59.335 0.063 1 494 335 131 LYS CB C 34.480 0.000 1 495 335 131 LYS N N 121.458 0.059 1 496 336 132 GLU H H 9.577 0.003 1 497 336 132 GLU C C 176.327 0.000 1 498 336 132 GLU CA C 57.025 0.022 1 499 336 132 GLU CB C 32.050 0.000 1 500 336 132 GLU N N 116.677 0.093 1 501 337 133 VAL H H 6.884 0.004 1 502 337 133 VAL C C 174.730 0.019 1 503 337 133 VAL CA C 59.432 0.040 1 504 337 133 VAL CB C 35.938 0.000 1 505 337 133 VAL N N 110.822 0.041 1 506 338 134 ASP H H 8.346 0.009 1 507 338 134 ASP C C 174.587 0.026 1 508 338 134 ASP CA C 54.029 0.104 1 509 338 134 ASP CB C 39.833 0.006 1 510 338 134 ASP N N 122.369 0.016 1 511 339 135 TYR H H 7.535 0.002 1 512 339 135 TYR C C 172.668 0.031 1 513 339 135 TYR CA C 59.630 0.090 1 514 339 135 TYR CB C 41.059 0.020 1 515 339 135 TYR N N 124.963 0.016 1 516 340 136 ARG H H 7.739 0.002 1 517 340 136 ARG C C 173.979 0.021 1 518 340 136 ARG CA C 54.756 0.116 1 519 340 136 ARG CB C 33.888 0.086 1 520 340 136 ARG N N 128.717 0.053 1 521 341 137 SER H H 8.774 0.002 1 522 341 137 SER C C 173.252 0.021 1 523 341 137 SER CA C 57.214 0.109 1 524 341 137 SER CB C 65.372 0.011 1 525 341 137 SER N N 118.223 0.028 1 526 342 138 ASP H H 8.461 0.002 1 527 342 138 ASP C C 175.024 0.002 1 528 342 138 ASP CA C 54.436 0.011 1 529 342 138 ASP CB C 44.928 0.010 1 530 342 138 ASP N N 125.861 0.052 1 531 343 139 ARG H H 8.755 0.002 1 532 343 139 ARG C C 175.025 0.026 1 533 343 139 ARG CA C 56.089 0.127 1 534 343 139 ARG CB C 32.863 0.074 1 535 343 139 ARG N N 122.304 0.027 1 536 344 140 ARG H H 8.778 0.002 1 537 344 140 ARG C C 175.951 0.031 1 538 344 140 ARG CA C 56.366 0.089 1 539 344 140 ARG CB C 31.514 0.009 1 540 344 140 ARG N N 126.974 0.039 1 541 345 141 GLU H H 8.835 0.002 1 542 345 141 GLU C C 174.827 0.006 1 543 345 141 GLU CA C 55.877 0.147 1 544 345 141 GLU CB C 34.663 0.063 1 545 345 141 GLU N N 123.274 0.028 1 546 346 142 ASP H H 8.567 0.005 1 547 346 142 ASP C C 176.173 0.012 1 548 346 142 ASP CA C 54.397 0.096 1 549 346 142 ASP CB C 43.316 0.000 1 550 346 142 ASP N N 123.617 0.035 1 551 347 143 TYR H H 8.197 0.002 1 552 347 143 TYR C C 172.355 0.040 1 553 347 143 TYR CA C 57.673 0.140 1 554 347 143 TYR CB C 41.740 0.000 1 555 347 143 TYR N N 118.230 0.028 1 556 348 144 TYR H H 9.095 0.003 1 557 348 144 TYR C C 174.680 0.009 1 558 348 144 TYR CA C 58.552 0.150 1 559 348 144 TYR CB C 41.095 0.000 1 560 348 144 TYR N N 119.342 0.061 1 561 349 145 ASP H H 8.237 0.005 1 562 349 145 ASP C C 174.132 0.007 1 563 349 145 ASP CA C 53.474 0.114 1 564 349 145 ASP CB C 43.713 0.000 1 565 349 145 ASP N N 118.416 0.044 1 566 350 146 ILE H H 7.975 0.004 1 567 350 146 ILE C C 174.233 0.011 1 568 350 146 ILE CA C 61.445 0.118 1 569 350 146 ILE CB C 41.380 0.014 1 570 350 146 ILE N N 118.036 0.017 1 571 351 147 GLN H H 8.307 0.003 1 572 351 147 GLN C C 174.379 0.002 1 573 351 147 GLN CA C 55.897 0.008 1 574 351 147 GLN CB C 29.948 0.000 1 575 351 147 GLN N N 126.681 0.025 1 576 352 148 LEU H H 8.738 0.003 1 577 352 148 LEU C C 175.741 0.018 1 578 352 148 LEU CA C 53.502 0.143 1 579 352 148 LEU CB C 43.374 0.008 1 580 352 148 LEU N N 124.171 0.037 1 581 353 149 SER H H 8.669 0.001 1 582 353 149 SER C C 174.537 0.007 1 583 353 149 SER CA C 59.251 0.132 1 584 353 149 SER CB C 63.918 0.000 1 585 353 149 SER N N 118.534 0.018 1 586 354 150 ILE H H 8.530 0.003 1 587 354 150 ILE C C 176.188 0.003 1 588 354 150 ILE CA C 60.566 0.131 1 589 354 150 ILE N N 119.185 0.021 1 590 355 151 LYS H H 7.452 0.003 1 591 355 151 LYS C C 178.013 0.049 1 592 355 151 LYS CA C 58.350 0.069 1 593 355 151 LYS CB C 32.056 0.000 1 594 355 151 LYS N N 123.895 0.066 1 595 356 152 GLY H H 9.829 0.003 1 596 356 152 GLY C C 173.895 0.026 1 597 356 152 GLY CA C 46.529 0.156 1 598 356 152 GLY N N 118.033 0.022 1 599 357 153 LYS H H 8.315 0.002 1 600 357 153 LYS C C 175.796 0.005 1 601 357 153 LYS CA C 54.829 0.138 1 602 357 153 LYS CB C 34.303 0.000 1 603 357 153 LYS N N 121.313 0.029 1 604 358 154 LYS H H 8.958 0.002 1 605 358 154 LYS C C 177.884 0.027 1 606 358 154 LYS CA C 58.087 0.095 1 607 358 154 LYS CB C 34.271 0.000 1 608 358 154 LYS N N 119.418 0.042 1 609 359 155 ASN H H 7.113 0.002 1 610 359 155 ASN C C 175.106 0.024 1 611 359 155 ASN CA C 51.991 0.127 1 612 359 155 ASN CB C 41.889 0.000 1 613 359 155 ASN N N 110.254 0.021 1 614 360 156 ILE H H 6.994 0.003 1 615 360 156 ILE C C 175.785 0.016 1 616 360 156 ILE CA C 64.393 0.141 1 617 360 156 ILE CB C 39.957 0.000 1 618 360 156 ILE N N 116.937 0.048 1 619 361 157 PHE H H 7.862 0.002 1 620 361 157 PHE C C 177.615 0.035 1 621 361 157 PHE CA C 63.268 0.167 1 622 361 157 PHE CB C 38.548 0.000 1 623 361 157 PHE N N 123.803 0.022 1 624 362 158 GLU H H 8.039 0.001 1 625 362 158 GLU C C 180.499 0.023 1 626 362 158 GLU CA C 60.414 0.151 1 627 362 158 GLU CB C 30.716 0.000 1 628 362 158 GLU N N 117.540 0.037 1 629 363 159 SER H H 7.780 0.003 1 630 363 159 SER C C 177.354 0.000 1 631 363 159 SER CA C 64.465 0.172 1 632 363 159 SER CB C 63.905 0.000 1 633 363 159 SER N N 115.092 0.029 1 634 364 160 PHE H H 8.211 0.004 1 635 364 160 PHE C C 177.512 0.015 1 636 364 160 PHE CA C 64.449 0.168 1 637 364 160 PHE CB C 38.859 0.000 1 638 364 160 PHE N N 124.479 0.014 1 639 365 161 VAL H H 8.279 0.003 1 640 365 161 VAL C C 178.777 0.038 1 641 365 161 VAL CA C 67.537 0.000 1 642 365 161 VAL CB C 32.749 0.000 1 643 365 161 VAL N N 119.322 0.060 1 644 366 162 ASP H H 7.524 0.002 1 645 366 162 ASP C C 177.941 0.011 1 646 366 162 ASP CA C 57.670 0.126 1 647 366 162 ASP CB C 42.799 0.000 1 648 366 162 ASP N N 118.211 0.045 1 649 367 163 TYR H H 8.023 0.003 1 650 367 163 TYR C C 178.523 0.009 1 651 367 163 TYR CA C 62.436 0.062 1 652 367 163 TYR CB C 39.766 0.000 1 653 367 163 TYR N N 122.853 0.024 1 654 368 164 VAL H H 7.543 0.005 1 655 368 164 VAL C C 175.807 0.006 1 656 368 164 VAL CA C 61.420 0.000 1 657 368 164 VAL CB C 32.247 0.000 1 658 368 164 VAL N N 106.807 0.045 1 659 369 165 ALA H H 7.314 0.004 1 660 369 165 ALA C C 178.135 0.023 1 661 369 165 ALA CA C 53.828 0.120 1 662 369 165 ALA CB C 19.613 0.000 1 663 369 165 ALA N N 127.371 0.025 1 664 370 166 VAL H H 8.265 0.003 1 665 370 166 VAL C C 176.589 0.010 1 666 370 166 VAL CA C 62.522 0.082 1 667 370 166 VAL CB C 33.852 0.000 1 668 370 166 VAL N N 120.941 0.020 1 669 371 167 GLU H H 9.275 0.003 1 670 371 167 GLU C C 175.521 0.005 1 671 371 167 GLU CA C 55.365 0.096 1 672 371 167 GLU CB C 32.898 0.104 1 673 371 167 GLU N N 127.964 0.046 1 674 372 168 GLN H H 8.645 0.002 1 675 372 168 GLN C C 175.487 0.000 1 676 372 168 GLN CA C 55.921 0.130 1 677 372 168 GLN CB C 29.229 0.041 1 678 372 168 GLN N N 122.770 0.043 1 679 373 169 LEU H H 8.886 0.002 1 680 373 169 LEU C C 174.209 0.024 1 681 373 169 LEU CA C 55.039 0.090 1 682 373 169 LEU CB C 40.066 0.050 1 683 373 169 LEU N N 127.974 0.060 1 684 374 170 ASP H H 7.682 0.003 1 685 374 170 ASP C C 176.189 0.002 1 686 374 170 ASP CA C 52.789 0.115 1 687 374 170 ASP CB C 42.931 0.014 1 688 374 170 ASP N N 121.141 0.025 1 689 375 171 GLY H H 8.896 0.002 1 690 375 171 GLY C C 176.329 0.000 1 691 375 171 GLY CA C 48.075 0.128 1 692 375 171 GLY N N 109.145 0.030 1 693 376 172 ASP C C 175.794 0.018 1 694 376 172 ASP CA C 56.261 0.000 1 695 376 172 ASP CB C 41.198 0.000 1 696 377 173 ASN H H 8.402 0.002 1 697 377 173 ASN C C 174.267 0.012 1 698 377 173 ASN CA C 52.936 0.115 1 699 377 173 ASN CB C 40.118 0.000 1 700 377 173 ASN N N 119.253 0.021 1 701 378 174 LYS H H 6.759 0.003 1 702 378 174 LYS C C 174.854 0.020 1 703 378 174 LYS CA C 58.943 0.154 1 704 378 174 LYS CB C 34.495 0.000 1 705 378 174 LYS N N 116.581 0.026 1 706 379 175 TYR H H 8.132 0.003 1 707 379 175 TYR C C 174.563 0.022 1 708 379 175 TYR CA C 57.294 0.000 1 709 379 175 TYR CB C 41.913 0.020 1 710 379 175 TYR N N 121.623 0.012 1 711 380 176 ASP H H 7.761 0.001 1 712 380 176 ASP C C 173.237 0.048 1 713 380 176 ASP CA C 54.548 0.114 1 714 380 176 ASP CB C 40.017 0.008 1 715 380 176 ASP N N 127.013 0.021 1 716 381 177 ALA H H 7.732 0.005 1 717 381 177 ALA C C 177.529 0.004 1 718 381 177 ALA CA C 50.860 0.089 1 719 381 177 ALA CB C 18.793 0.075 1 720 381 177 ALA N N 131.228 0.041 1 721 382 178 GLY H H 7.728 0.003 1 722 382 178 GLY C C 177.336 0.000 1 723 382 178 GLY CA C 47.862 0.128 1 724 382 178 GLY N N 108.348 0.027 1 725 383 179 GLU C C 176.794 0.000 1 726 383 179 GLU CA C 58.849 0.028 1 727 384 180 HIS H H 7.448 0.003 1 728 384 180 HIS C C 176.103 0.011 1 729 384 180 HIS CA C 56.698 0.000 1 730 384 180 HIS CB C 31.237 0.000 1 731 384 180 HIS N N 116.722 0.059 1 732 385 181 GLY H H 7.687 0.001 1 733 385 181 GLY C C 172.784 0.018 1 734 385 181 GLY CA C 45.290 0.129 1 735 385 181 GLY N N 109.305 0.028 1 736 386 182 LEU H H 7.989 0.006 1 737 386 182 LEU C C 178.579 0.023 1 738 386 182 LEU CA C 55.745 0.113 1 739 386 182 LEU CB C 42.069 0.000 1 740 386 182 LEU N N 120.306 0.024 1 741 387 183 GLN H H 9.377 0.003 1 742 387 183 GLN C C 175.541 0.004 1 743 387 183 GLN CA C 54.504 0.110 1 744 387 183 GLN CB C 34.475 0.000 1 745 387 183 GLN N N 123.250 0.019 1 746 388 184 GLU H H 9.044 0.002 1 747 388 184 GLU C C 177.950 0.012 1 748 388 184 GLU CA C 58.098 0.079 1 749 388 184 GLU CB C 30.254 0.020 1 750 388 184 GLU N N 122.390 0.033 1 751 389 185 ALA H H 9.129 0.002 1 752 389 185 ALA C C 174.140 0.020 1 753 389 185 ALA CA C 52.180 0.000 1 754 389 185 ALA CB C 24.875 0.000 1 755 389 185 ALA N N 127.498 0.030 1 756 390 186 GLU H H 8.613 0.003 1 757 390 186 GLU C C 173.828 0.028 1 758 390 186 GLU CA C 55.438 0.089 1 759 390 186 GLU CB C 33.686 0.000 1 760 390 186 GLU N N 119.301 0.022 1 761 391 187 LYS H H 8.775 0.003 1 762 391 187 LYS C C 174.274 0.015 1 763 391 187 LYS CA C 54.279 0.097 1 764 391 187 LYS CB C 37.432 0.000 1 765 391 187 LYS N N 123.900 0.078 1 766 392 188 GLY H H 7.163 0.002 1 767 392 188 GLY C C 170.865 0.070 1 768 392 188 GLY CA C 45.748 0.117 1 769 392 188 GLY N N 110.121 0.038 1 770 393 189 VAL H H 7.709 0.001 1 771 393 189 VAL C C 176.106 0.002 1 772 393 189 VAL CA C 60.554 0.000 1 773 393 189 VAL CB C 36.314 0.000 1 774 393 189 VAL N N 117.823 0.005 1 775 394 190 LYS H H 8.836 0.003 1 776 394 190 LYS C C 175.560 0.017 1 777 394 190 LYS CA C 54.978 0.129 1 778 394 190 LYS CB C 37.581 0.021 1 779 394 190 LYS N N 121.539 0.043 1 780 395 191 PHE H H 8.152 0.002 1 781 395 191 PHE C C 175.043 0.023 1 782 395 191 PHE CA C 60.799 0.000 1 783 395 191 PHE CB C 39.809 0.000 1 784 395 191 PHE N N 119.644 0.040 1 785 396 192 LEU H H 9.175 0.004 1 786 396 192 LEU C C 178.097 0.000 1 787 396 192 LEU CA C 56.529 0.124 1 788 396 192 LEU N N 123.724 0.043 1 789 397 193 THR H H 8.574 0.003 1 790 397 193 THR C C 173.487 0.025 1 791 397 193 THR CA C 60.472 0.168 1 792 397 193 THR CB C 72.903 0.000 1 793 397 193 THR N N 109.191 0.054 1 794 398 194 LEU H H 8.394 0.002 1 795 398 194 LEU C C 174.252 0.000 1 796 398 194 LEU CA C 53.135 0.129 1 797 398 194 LEU CB C 46.168 0.000 1 798 398 194 LEU N N 124.245 0.033 1 799 402 198 LEU H H 9.270 0.004 1 800 402 198 LEU C C 175.230 0.046 1 801 402 198 LEU CA C 53.790 0.187 1 802 402 198 LEU CB C 46.253 0.000 1 803 402 198 LEU N N 127.487 0.070 1 804 403 199 HIS H H 9.525 0.002 1 805 403 199 HIS C C 173.992 0.000 1 806 403 199 HIS CA C 55.402 0.096 1 807 403 199 HIS CB C 33.496 0.000 1 808 403 199 HIS N N 128.416 0.045 1 809 404 200 LEU C C 175.967 0.013 1 810 404 200 LEU CA C 52.888 0.108 1 811 404 200 LEU CB C 43.460 0.000 1 812 405 201 GLN H H 9.020 0.004 1 813 405 201 GLN C C 174.255 0.020 1 814 405 201 GLN CA C 56.462 0.167 1 815 405 201 GLN CB C 29.104 0.000 1 816 405 201 GLN N N 122.827 0.046 1 817 406 202 LEU H H 8.386 0.002 1 818 406 202 LEU C C 178.177 0.018 1 819 406 202 LEU CA C 53.557 0.159 1 820 406 202 LEU CB C 41.374 0.000 1 821 406 202 LEU N N 123.344 0.046 1 822 407 203 MET H H 8.108 0.004 1 823 407 203 MET C C 175.291 0.008 1 824 407 203 MET CA C 56.273 0.111 1 825 407 203 MET CB C 31.259 0.000 1 826 407 203 MET N N 123.627 0.043 1 827 408 204 ARG H H 8.410 0.003 1 828 408 204 ARG C C 174.968 0.006 1 829 408 204 ARG CA C 57.988 0.110 1 830 408 204 ARG CB C 32.544 0.034 1 831 408 204 ARG N N 123.688 0.053 1 832 409 205 PHE H H 8.169 0.003 1 833 409 205 PHE C C 175.482 0.009 1 834 409 205 PHE CA C 57.339 0.000 1 835 409 205 PHE CB C 39.975 0.000 1 836 409 205 PHE N N 117.264 0.031 1 837 410 206 MET H H 8.524 0.004 1 838 410 206 MET C C 173.887 0.020 1 839 410 206 MET CA C 55.084 0.124 1 840 410 206 MET CB C 36.439 0.000 1 841 410 206 MET N N 120.685 0.045 1 842 411 207 TYR H H 8.556 0.004 1 843 411 207 TYR C C 174.441 0.011 1 844 411 207 TYR CA C 58.975 0.148 1 845 411 207 TYR CB C 39.607 0.000 1 846 411 207 TYR N N 123.668 0.025 1 847 412 208 ASP H H 8.189 0.001 1 848 412 208 ASP C C 174.306 0.000 1 849 412 208 ASP CA C 50.654 0.147 1 850 412 208 ASP CB C 43.737 0.000 1 851 412 208 ASP N N 128.816 0.018 1 852 413 209 PRO C C 178.407 0.019 1 853 413 209 PRO CA C 64.380 0.129 1 854 414 210 GLN H H 7.892 0.001 1 855 414 210 GLN C C 177.703 0.019 1 856 414 210 GLN CA C 59.342 0.125 1 857 414 210 GLN CB C 29.069 0.000 1 858 414 210 GLN N N 116.162 0.027 1 859 415 211 THR H H 6.965 0.003 1 860 415 211 THR C C 174.742 0.023 1 861 415 211 THR CA C 61.965 0.136 1 862 415 211 THR CB C 70.717 0.000 1 863 415 211 THR N N 106.259 0.070 1 864 416 212 ASP H H 7.978 0.004 1 865 416 212 ASP C C 174.119 0.018 1 866 416 212 ASP CA C 55.568 0.119 1 867 416 212 ASP CB C 40.164 0.000 1 868 416 212 ASP N N 122.365 0.014 1 869 417 213 GLN H H 7.067 0.004 1 870 417 213 GLN C C 174.213 0.015 1 871 417 213 GLN CA C 54.794 0.142 1 872 417 213 GLN CB C 33.165 0.000 1 873 417 213 GLN N N 114.171 0.010 1 874 418 214 ASN H H 8.634 0.002 1 875 418 214 ASN C C 175.004 0.021 1 876 418 214 ASN CA C 54.028 0.091 1 877 418 214 ASN CB C 39.956 0.000 1 878 418 214 ASN N N 120.925 0.016 1 879 419 215 ILE H H 8.967 0.002 1 880 419 215 ILE C C 174.463 0.018 1 881 419 215 ILE CA C 60.475 0.152 1 882 419 215 ILE CB C 42.246 0.000 1 883 419 215 ILE N N 120.844 0.027 1 884 420 216 LYS H H 8.156 0.003 1 885 420 216 LYS C C 175.919 0.012 1 886 420 216 LYS CA C 55.237 0.116 1 887 420 216 LYS CB C 35.479 0.007 1 888 420 216 LYS N N 123.639 0.031 1 889 421 217 ILE H H 9.130 0.003 1 890 421 217 ILE C C 176.250 0.017 1 891 421 217 ILE CA C 60.863 0.012 1 892 421 217 ILE CB C 39.030 0.000 1 893 421 217 ILE N N 127.450 0.022 1 894 422 218 ASN H H 8.960 0.003 1 895 422 218 ASN C C 173.868 0.000 1 896 422 218 ASN CA C 54.689 0.000 1 897 422 218 ASN CB C 40.504 0.000 1 898 422 218 ASN N N 126.866 0.031 1 899 423 219 ASP H H 7.118 0.002 1 900 423 219 ASP C C 174.799 0.035 1 901 423 219 ASP CA C 55.508 0.077 1 902 423 219 ASP CB C 41.831 0.000 1 903 423 219 ASP N N 117.202 0.043 1 904 424 220 ARG H H 8.647 0.004 1 905 424 220 ARG C C 176.208 0.018 1 906 424 220 ARG CA C 57.636 0.156 1 907 424 220 ARG CB C 30.694 0.000 1 908 424 220 ARG N N 122.527 0.014 1 909 425 221 PHE H H 9.278 0.003 1 910 425 221 PHE C C 173.500 0.052 1 911 425 221 PHE CA C 59.589 0.108 1 912 425 221 PHE CB C 41.808 0.000 1 913 425 221 PHE N N 129.831 0.036 1 914 426 222 GLU H H 7.436 0.004 1 915 426 222 GLU C C 173.777 0.023 1 916 426 222 GLU CA C 56.330 0.158 1 917 426 222 GLU CB C 30.745 0.000 1 918 426 222 GLU N N 125.983 0.037 1 919 427 223 PHE H H 5.687 0.003 1 920 427 223 PHE C C 173.023 0.000 1 921 427 223 PHE CA C 52.879 0.119 1 922 427 223 PHE CB C 40.649 0.000 1 923 427 223 PHE N N 115.624 0.044 1 924 429 225 GLU H H 8.867 0.002 1 925 429 225 GLU C C 175.424 0.039 1 926 429 225 GLU CA C 59.559 0.080 1 927 429 225 GLU CB C 31.309 0.000 1 928 429 225 GLU N N 119.706 0.029 1 929 430 226 GLN H H 7.741 0.002 1 930 430 226 GLN C C 173.630 0.028 1 931 430 226 GLN CA C 55.589 0.106 1 932 430 226 GLN CB C 30.861 0.000 1 933 430 226 GLN N N 116.144 0.048 1 934 431 227 LEU H H 9.397 0.003 1 935 431 227 LEU C C 173.129 0.000 1 936 431 227 LEU CA C 51.937 0.187 1 937 431 227 LEU N N 127.156 0.053 1 938 432 228 PRO C C 178.265 0.012 1 939 432 228 PRO CA C 62.716 0.062 1 940 433 229 LEU H H 8.829 0.003 1 941 433 229 LEU C C 177.364 0.007 1 942 433 229 LEU CA C 54.628 0.000 1 943 433 229 LEU CB C 44.142 0.000 1 944 433 229 LEU N N 123.624 0.043 1 945 434 230 ASP H H 8.078 0.005 1 946 434 230 ASP C C 178.715 0.021 1 947 434 230 ASP CA C 58.940 0.149 1 948 434 230 ASP CB C 41.542 0.000 1 949 434 230 ASP N N 121.539 0.049 1 950 435 231 GLU H H 8.182 0.002 1 951 435 231 GLU C C 176.326 0.002 1 952 435 231 GLU CA C 58.732 0.145 1 953 435 231 GLU CB C 29.726 0.000 1 954 435 231 GLU N N 114.603 0.031 1 955 436 232 PHE H H 7.599 0.003 1 956 436 232 PHE C C 174.702 0.008 1 957 436 232 PHE CA C 58.688 0.183 1 958 436 232 PHE CB C 39.309 0.000 1 959 436 232 PHE N N 117.557 0.025 1 960 437 233 LEU H H 7.211 0.002 1 961 437 233 LEU C C 178.366 0.021 1 962 437 233 LEU CA C 54.242 0.122 1 963 437 233 LEU CB C 44.385 0.000 1 964 437 233 LEU N N 119.253 0.016 1 965 438 234 GLN H H 8.561 0.002 1 966 438 234 GLN C C 175.830 0.006 1 967 438 234 GLN CA C 59.331 0.111 1 968 438 234 GLN CB C 29.828 0.000 1 969 438 234 GLN N N 121.252 0.050 1 970 439 235 LYS H H 7.818 0.003 1 971 439 235 LYS C C 175.559 0.040 1 972 439 235 LYS CA C 56.035 0.145 1 973 439 235 LYS CB C 35.651 0.000 1 974 439 235 LYS N N 117.397 0.040 1 975 440 236 THR H H 8.372 0.002 1 976 440 236 THR C C 173.280 0.025 1 977 440 236 THR CA C 61.915 0.142 1 978 440 236 THR CB C 70.901 0.000 1 979 440 236 THR N N 118.010 0.021 1 980 441 237 ASP H H 8.810 0.002 1 981 441 237 ASP C C 176.603 0.000 1 982 441 237 ASP CA C 50.882 0.129 1 983 441 237 ASP CB C 43.409 0.000 1 984 441 237 ASP N N 121.623 0.016 1 985 442 238 PRO C C 177.731 0.000 1 986 442 238 PRO CA C 64.850 0.143 1 987 443 239 LYS H H 8.072 0.002 1 988 443 239 LYS C C 176.400 0.013 1 989 443 239 LYS CA C 56.522 0.117 1 990 443 239 LYS CB C 32.780 0.000 1 991 443 239 LYS N N 115.079 0.035 1 992 444 240 ASP H H 7.458 0.002 1 993 444 240 ASP C C 172.476 0.000 1 994 444 240 ASP CA C 52.389 0.137 1 995 444 240 ASP CB C 41.515 0.000 1 996 444 240 ASP N N 117.806 0.020 1 997 445 241 PRO C C 177.129 0.011 1 998 445 241 PRO CA C 63.476 0.131 1 999 445 241 PRO CB C 32.687 0.000 1 1000 446 242 ALA H H 9.244 0.002 1 1001 446 242 ALA C C 174.950 0.028 1 1002 446 242 ALA CA C 51.002 0.136 1 1003 446 242 ALA CB C 17.680 0.000 1 1004 446 242 ALA N N 130.593 0.035 1 1005 447 243 ASN H H 7.611 0.002 1 1006 447 243 ASN C C 174.269 0.017 1 1007 447 243 ASN CA C 52.815 0.107 1 1008 447 243 ASN CB C 40.224 0.000 1 1009 447 243 ASN N N 121.470 0.031 1 1010 448 244 TYR H H 8.596 0.002 1 1011 448 244 TYR C C 174.886 0.000 1 1012 448 244 TYR CA C 59.138 0.153 1 1013 448 244 TYR CB C 40.915 0.000 1 1014 448 244 TYR N N 125.442 0.026 1 1015 455 251 VAL C C 175.174 0.037 1 1016 455 251 VAL CA C 61.999 0.010 1 1017 456 252 HIS H H 8.850 0.004 1 1018 456 252 HIS C C 173.829 0.009 1 1019 456 252 HIS CA C 56.537 0.029 1 1020 456 252 HIS CB C 35.726 0.000 1 1021 456 252 HIS N N 127.833 0.047 1 1022 457 253 SER H H 8.004 0.002 1 1023 457 253 SER C C 173.325 0.059 1 1024 457 253 SER CA C 56.837 0.107 1 1025 457 253 SER CB C 65.552 0.000 1 1026 457 253 SER N N 121.651 0.029 1 1027 458 254 GLY H H 7.901 0.003 1 1028 458 254 GLY C C 172.752 0.000 1 1029 458 254 GLY CA C 45.264 0.140 1 1030 458 254 GLY N N 112.038 0.014 1 1031 459 255 ASP H H 8.291 0.003 1 1032 459 255 ASP C C 175.636 0.005 1 1033 459 255 ASP CA C 54.468 0.002 1 1034 459 255 ASP CB C 42.698 0.000 1 1035 459 255 ASP N N 120.528 0.108 1 1036 460 256 ASN H H 8.318 0.010 1 1037 460 256 ASN CA C 55.135 0.000 1 1038 460 256 ASN N N 116.238 0.065 1 1039 461 257 HIS C C 175.741 0.016 1 1040 461 257 HIS CA C 57.455 0.059 1 1041 462 258 GLY H H 8.212 0.010 1 1042 462 258 GLY C C 174.058 0.015 1 1043 462 258 GLY CA C 46.295 0.134 1 1044 462 258 GLY N N 110.306 0.025 1 1045 463 259 GLY H H 8.362 0.002 1 1046 463 259 GLY C C 172.338 0.030 1 1047 463 259 GLY CA C 46.049 0.091 1 1048 463 259 GLY N N 110.473 0.016 1 1049 464 260 HIS H H 8.087 0.005 1 1050 464 260 HIS C C 173.270 0.053 1 1051 464 260 HIS CA C 55.632 0.117 1 1052 464 260 HIS CB C 32.967 0.000 1 1053 464 260 HIS N N 119.646 0.047 1 1054 465 261 TYR H H 8.677 0.003 1 1055 465 261 TYR CA C 58.589 0.000 1 1056 465 261 TYR N N 127.921 0.034 1 1057 471 267 PRO C C 178.820 0.000 1 1058 472 268 LYS H H 8.429 0.006 1 1059 472 268 LYS CA C 56.505 0.000 1 1060 472 268 LYS N N 113.214 0.015 1 1061 473 269 GLY H H 8.202 0.005 1 1062 473 269 GLY C C 172.738 0.032 1 1063 473 269 GLY CA C 47.103 0.105 1 1064 473 269 GLY N N 109.157 0.050 1 1065 474 270 ASP H H 7.788 0.004 1 1066 474 270 ASP C C 177.482 0.000 1 1067 474 270 ASP CA C 52.985 0.000 1 1068 474 270 ASP CB C 41.930 0.000 1 1069 474 270 ASP N N 116.088 0.030 1 1070 475 271 GLY H H 8.903 0.002 1 1071 475 271 GLY C C 173.553 0.026 1 1072 475 271 GLY CA C 46.295 0.169 1 1073 475 271 GLY N N 110.553 0.043 1 1074 476 272 LYS H H 7.138 0.004 1 1075 476 272 LYS C C 175.687 0.019 1 1076 476 272 LYS CA C 55.899 0.143 1 1077 476 272 LYS CB C 30.693 0.000 1 1078 476 272 LYS N N 121.226 0.046 1 1079 477 273 TRP H H 8.811 0.003 1 1080 477 273 TRP C C 177.138 0.022 1 1081 477 273 TRP CA C 59.303 0.123 1 1082 477 273 TRP CB C 32.047 0.000 1 1083 477 273 TRP N N 125.797 0.044 1 1084 478 274 CYS H H 9.352 0.001 1 1085 478 274 CYS C C 172.048 0.020 1 1086 478 274 CYS CA C 58.658 0.018 1 1087 478 274 CYS CB C 33.624 0.000 1 1088 478 274 CYS N N 117.790 0.035 1 1089 479 275 LYS H H 9.299 0.002 1 1090 479 275 LYS C C 174.248 0.021 1 1091 479 275 LYS CA C 55.954 0.127 1 1092 479 275 LYS CB C 35.460 0.000 1 1093 479 275 LYS N N 125.178 0.067 1 1094 480 276 PHE H H 9.217 0.003 1 1095 480 276 PHE C C 174.858 0.016 1 1096 480 276 PHE CA C 57.963 0.123 1 1097 480 276 PHE CB C 38.621 0.000 1 1098 480 276 PHE N N 126.233 0.038 1 1099 481 277 ASP H H 8.806 0.002 1 1100 481 277 ASP C C 175.204 0.000 1 1101 481 277 ASP CA C 51.903 0.000 1 1102 481 277 ASP CB C 41.367 0.000 1 1103 481 277 ASP N N 129.086 0.018 1 1104 482 278 ASP H H 8.251 0.001 1 1105 482 278 ASP C C 176.216 0.000 1 1106 482 278 ASP CA C 58.475 0.000 1 1107 482 278 ASP N N 119.282 0.051 1 1108 483 279 ASP H H 9.245 0.002 1 1109 483 279 ASP C C 175.112 0.037 1 1110 483 279 ASP CA C 56.282 0.150 1 1111 483 279 ASP CB C 40.621 0.000 1 1112 483 279 ASP N N 121.388 0.028 1 1113 484 280 VAL H H 7.991 0.002 1 1114 484 280 VAL C C 174.245 0.024 1 1115 484 280 VAL CA C 63.605 0.126 1 1116 484 280 VAL CB C 33.613 0.000 1 1117 484 280 VAL N N 123.545 0.024 1 1118 485 281 VAL H H 8.345 0.002 1 1119 485 281 VAL C C 175.842 0.020 1 1120 485 281 VAL CA C 61.083 0.092 1 1121 485 281 VAL CB C 33.653 0.000 1 1122 485 281 VAL N N 131.100 0.050 1 1123 486 282 SER H H 8.725 0.002 1 1124 486 282 SER C C 173.873 0.027 1 1125 486 282 SER CA C 56.795 0.080 1 1126 486 282 SER CB C 66.437 0.000 1 1127 486 282 SER N N 120.643 0.016 1 1128 487 283 ARG H H 8.797 0.004 1 1129 487 283 ARG C C 176.006 0.008 1 1130 487 283 ARG CA C 57.683 0.163 1 1131 487 283 ARG CB C 30.508 0.000 1 1132 487 283 ARG N N 124.046 0.022 1 1133 488 284 CYS H H 8.466 0.001 1 1134 488 284 CYS C C 172.696 0.033 1 1135 488 284 CYS CA C 56.449 0.000 1 1136 488 284 CYS CB C 32.806 0.000 1 1137 488 284 CYS N N 119.919 0.021 1 1138 489 285 THR H H 8.481 0.002 1 1139 489 285 THR C C 175.590 0.017 1 1140 489 285 THR CA C 61.358 0.091 1 1141 489 285 THR CB C 72.196 0.000 1 1142 489 285 THR N N 111.257 0.026 1 1143 490 286 LYS H H 8.648 0.002 1 1144 490 286 LYS C C 177.505 0.028 1 1145 490 286 LYS CA C 60.282 0.154 1 1146 490 286 LYS CB C 32.209 0.000 1 1147 490 286 LYS N N 121.405 0.014 1 1148 491 287 GLU H H 8.241 0.003 1 1149 491 287 GLU C C 176.800 0.004 1 1150 491 287 GLU CA C 60.289 0.180 1 1151 491 287 GLU CB C 28.937 0.000 1 1152 491 287 GLU N N 117.788 0.010 1 1153 492 288 GLU H H 6.834 0.004 1 1154 492 288 GLU C C 175.379 0.021 1 1155 492 288 GLU CA C 58.544 0.000 1 1156 492 288 GLU CB C 30.195 0.000 1 1157 492 288 GLU N N 116.198 0.047 1 1158 493 289 ALA H H 6.290 0.003 1 1159 493 289 ALA C C 177.040 0.016 1 1160 493 289 ALA CA C 53.641 0.111 1 1161 493 289 ALA CB C 20.304 0.000 1 1162 493 289 ALA N N 116.272 0.046 1 1163 494 290 ILE H H 7.114 0.003 1 1164 494 290 ILE C C 175.470 0.081 1 1165 494 290 ILE CA C 62.908 0.118 1 1166 494 290 ILE CB C 37.583 0.000 1 1167 494 290 ILE N N 116.967 0.062 1 1168 495 291 GLU H H 7.453 0.003 1 1169 495 291 GLU C C 179.525 0.044 1 1170 495 291 GLU CA C 59.633 0.071 1 1171 495 291 GLU CB C 29.336 0.000 1 1172 495 291 GLU N N 119.020 0.048 1 1173 496 292 HIS H H 8.386 0.002 1 1174 496 292 HIS C C 176.095 0.005 1 1175 496 292 HIS CA C 58.162 0.048 1 1176 496 292 HIS CB C 30.587 0.000 1 1177 496 292 HIS N N 117.207 0.065 1 1178 497 293 ASN H H 7.990 0.005 1 1179 497 293 ASN C C 177.545 0.041 1 1180 497 293 ASN CA C 54.150 0.088 1 1181 497 293 ASN CB C 40.496 0.000 1 1182 497 293 ASN N N 114.598 0.036 1 1183 498 294 TYR H H 7.727 0.006 1 1184 498 294 TYR C C 176.666 0.021 1 1185 498 294 TYR CA C 56.842 0.077 1 1186 498 294 TYR CB C 36.996 0.000 1 1187 498 294 TYR N N 121.009 0.066 1 1188 499 295 GLY H H 8.489 0.003 1 1189 499 295 GLY C C 173.349 0.008 1 1190 499 295 GLY CA C 45.148 0.130 1 1191 499 295 GLY N N 107.294 0.042 1 1192 500 296 GLY H H 8.144 0.002 1 1193 500 296 GLY C C 173.318 0.021 1 1194 500 296 GLY CA C 46.214 0.113 1 1195 500 296 GLY N N 106.606 0.034 1 1196 501 297 HIS H H 8.190 0.002 1 1197 501 297 HIS C C 175.023 0.026 1 1198 501 297 HIS CA C 57.523 0.769 1 1199 501 297 HIS N N 119.251 0.029 1 1200 502 298 ASP H H 8.237 0.003 1 1201 502 298 ASP C C 175.897 0.000 1 1202 502 298 ASP CA C 55.351 0.000 1 1203 502 298 ASP CB C 42.296 0.000 1 1204 502 298 ASP N N 122.268 0.030 1 1205 503 299 ASP H H 8.295 0.001 1 1206 503 299 ASP C C 176.022 0.021 1 1207 503 299 ASP CA C 55.342 0.144 1 1208 503 299 ASP CB C 41.993 0.000 1 1209 503 299 ASP N N 120.208 0.013 1 1210 504 300 ASP H H 8.173 0.001 1 1211 504 300 ASP C C 176.457 0.002 1 1212 504 300 ASP CA C 55.376 0.000 1 1213 504 300 ASP CB C 41.836 0.000 1 1214 504 300 ASP N N 120.418 0.004 1 1215 505 301 LEU H H 8.161 0.003 1 1216 505 301 LEU C C 177.756 0.018 1 1217 505 301 LEU CA C 56.392 0.150 1 1218 505 301 LEU CB C 42.042 0.000 1 1219 505 301 LEU N N 121.623 0.014 1 1220 506 302 SER H H 8.250 0.005 1 1221 506 302 SER C C 175.213 0.000 1 1222 506 302 SER CA C 59.675 0.067 1 1223 506 302 SER CB C 64.573 0.000 1 1224 506 302 SER N N 116.076 0.026 1 1225 507 303 VAL H H 7.910 0.005 1 1226 507 303 VAL C C 176.492 0.017 1 1227 507 303 VAL CA C 63.570 0.084 1 1228 507 303 VAL CB C 33.154 0.000 1 1229 507 303 VAL N N 120.705 0.031 1 1230 508 304 ARG H H 8.114 0.004 1 1231 508 304 ARG C C 176.927 0.000 1 1232 508 304 ARG CA C 57.513 0.148 1 1233 508 304 ARG CB C 30.657 0.000 1 1234 508 304 ARG N N 122.975 0.046 1 1235 511 307 THR C C 173.620 0.000 1 1236 511 307 THR CA C 62.468 0.004 1 1237 512 308 ASN H H 8.527 0.002 1 1238 512 308 ASN C C 174.357 0.005 1 1239 512 308 ASN CA C 52.576 0.096 1 1240 512 308 ASN CB C 42.001 0.000 1 1241 512 308 ASN N N 117.300 0.010 1 1242 513 309 ALA H H 7.595 0.003 1 1243 513 309 ALA C C 176.188 0.036 1 1244 513 309 ALA CA C 52.833 0.133 1 1245 513 309 ALA CB C 21.646 0.000 1 1246 513 309 ALA N N 120.491 0.043 1 1247 514 310 TYR H H 8.774 0.004 1 1248 514 310 TYR CA C 57.879 0.000 1 1249 514 310 TYR CB C 40.060 0.000 1 1250 514 310 TYR N N 114.203 0.030 1 1251 519 315 ILE C C 181.369 0.000 1 1252 519 315 ILE CA C 55.236 0.047 1 1253 520 316 ARG H H 8.383 0.002 1 1254 520 316 ARG C C 177.838 0.021 1 1255 520 316 ARG CA C 57.507 0.000 1 1256 520 316 ARG CB C 42.275 0.000 1 1257 520 316 ARG N N 120.478 0.060 1 1258 521 317 GLU H H 9.166 0.002 1 1259 521 317 GLU C C 179.073 0.016 1 1260 521 317 GLU CA C 61.530 0.000 1 1261 521 317 GLU CB C 30.322 0.000 1 1262 521 317 GLU N N 130.682 0.059 1 1263 522 318 SER H H 8.367 0.003 1 1264 522 318 SER C C 175.769 0.011 1 1265 522 318 SER CA C 60.313 0.120 1 1266 522 318 SER CB C 62.808 0.000 1 1267 522 318 SER N N 112.474 0.030 1 1268 523 319 LYS H H 7.499 0.006 1 1269 523 319 LYS C C 176.605 0.006 1 1270 523 319 LYS CA C 54.266 0.092 1 1271 523 319 LYS CB C 33.121 0.000 1 1272 523 319 LYS N N 119.005 0.040 1 1273 524 320 LEU H H 7.374 0.003 1 1274 524 320 LEU C C 177.733 0.039 1 1275 524 320 LEU CA C 60.758 0.112 1 1276 524 320 LEU CB C 43.661 0.000 1 1277 524 320 LEU N N 125.058 0.070 1 1278 525 321 SER H H 8.461 0.003 1 1279 525 321 SER C C 175.496 0.025 1 1280 525 321 SER CA C 61.514 0.000 1 1281 525 321 SER CB C 63.142 0.000 1 1282 525 321 SER N N 111.140 0.037 1 1283 526 322 GLU H H 7.340 0.004 1 1284 526 322 GLU C C 178.839 0.000 1 1285 526 322 GLU CA C 58.936 0.156 1 1286 526 322 GLU CB C 31.101 0.000 1 1287 526 322 GLU N N 121.605 0.045 1 1288 527 323 VAL H H 8.581 0.003 1 1289 527 323 VAL C C 176.971 0.017 1 1290 527 323 VAL CA C 66.931 0.081 1 1291 527 323 VAL CB C 32.900 0.000 1 1292 527 323 VAL N N 121.127 0.046 1 1293 528 324 LEU H H 7.921 0.002 1 1294 528 324 LEU C C 175.761 0.014 1 1295 528 324 LEU CA C 53.809 0.132 1 1296 528 324 LEU CB C 39.134 0.000 1 1297 528 324 LEU N N 114.118 0.025 1 1298 529 325 GLN H H 6.539 0.003 1 1299 529 325 GLN C C 174.370 0.026 1 1300 529 325 GLN CA C 56.469 0.123 1 1301 529 325 GLN CB C 30.896 0.000 1 1302 529 325 GLN N N 119.469 0.012 1 1303 530 326 ALA H H 8.357 0.002 1 1304 530 326 ALA C C 177.488 0.016 1 1305 530 326 ALA CA C 53.867 0.102 1 1306 530 326 ALA CB C 19.302 0.000 1 1307 530 326 ALA N N 125.035 0.015 1 1308 531 327 VAL H H 8.268 0.002 1 1309 531 327 VAL C C 175.907 0.013 1 1310 531 327 VAL CA C 61.910 0.156 1 1311 531 327 VAL CB C 34.037 0.000 1 1312 531 327 VAL N N 122.335 0.013 1 1313 532 328 THR H H 9.444 0.003 1 1314 532 328 THR C C 176.175 0.000 1 1315 532 328 THR CA C 60.810 0.093 1 1316 532 328 THR CB C 72.903 0.000 1 1317 532 328 THR N N 119.919 0.062 1 1318 534 330 HIS H H 8.856 0.004 1 1319 534 330 HIS C C 175.909 0.018 1 1320 534 330 HIS CA C 58.051 0.028 1 1321 534 330 HIS N N 129.614 0.002 1 1322 535 331 ASP H H 7.453 0.003 1 1323 535 331 ASP C C 174.444 0.042 1 1324 535 331 ASP CA C 56.204 0.132 1 1325 535 331 ASP CB C 42.888 0.000 1 1326 535 331 ASP N N 117.151 0.053 1 1327 536 332 ILE H H 6.999 0.003 1 1328 536 332 ILE C C 173.597 0.000 1 1329 536 332 ILE CA C 59.532 0.058 1 1330 536 332 ILE CB C 38.367 0.000 1 1331 536 332 ILE N N 119.983 0.016 1 1332 537 333 PRO C C 177.951 0.025 1 1333 537 333 PRO CA C 64.125 0.099 1 1334 537 333 PRO CB C 33.233 0.000 1 1335 538 334 GLN H H 8.831 0.004 1 1336 538 334 GLN C C 177.703 0.022 1 1337 538 334 GLN CA C 59.540 0.047 1 1338 538 334 GLN CB C 28.640 0.000 1 1339 538 334 GLN N N 126.136 0.043 1 1340 539 335 GLN H H 8.971 0.002 1 1341 539 335 GLN C C 178.609 0.020 1 1342 539 335 GLN CA C 59.543 0.000 1 1343 539 335 GLN CB C 27.786 0.000 1 1344 539 335 GLN N N 116.413 0.037 1 1345 540 336 LEU H H 7.023 0.003 1 1346 540 336 LEU C C 177.351 0.032 1 1347 540 336 LEU CA C 57.878 0.000 1 1348 540 336 LEU CB C 41.581 0.000 1 1349 540 336 LEU N N 121.440 0.025 1 1350 541 337 VAL H H 7.124 0.004 1 1351 541 337 VAL C C 178.302 0.032 1 1352 541 337 VAL CA C 67.912 0.122 1 1353 541 337 VAL N N 119.173 0.041 1 1354 542 338 GLU H H 8.264 0.003 1 1355 542 338 GLU C C 179.310 0.040 1 1356 542 338 GLU CA C 60.007 0.117 1 1357 542 338 GLU CB C 29.699 0.000 1 1358 542 338 GLU N N 116.807 0.011 1 1359 543 339 ARG H H 7.485 0.002 1 1360 543 339 ARG C C 179.467 0.033 1 1361 543 339 ARG CA C 60.145 0.087 1 1362 543 339 ARG CB C 30.350 0.000 1 1363 543 339 ARG N N 120.784 0.035 1 1364 544 340 LEU H H 8.186 0.005 1 1365 544 340 LEU C C 180.536 0.000 1 1366 544 340 LEU CA C 58.153 0.000 1 1367 501 340 LEU CB C 40.218 0.000 1 1368 544 340 LEU N N 119.314 0.076 1 1369 546 342 GLU C C 180.679 0.000 1 1370 546 342 GLU CA C 58.073 0.000 1 1371 547 343 GLU H H 8.486 0.004 1 1372 547 343 GLU C C 179.253 0.030 1 1373 547 343 GLU CA C 59.518 0.104 1 1374 547 343 GLU CB C 28.654 0.000 1 1375 547 343 GLU N N 119.719 0.016 1 1376 548 344 LYS H H 8.075 0.004 1 1377 548 344 LYS C C 178.273 0.064 1 1378 548 344 LYS CA C 59.488 0.084 1 1379 548 344 LYS CB C 29.381 0.000 1 1380 548 344 LYS N N 122.903 0.021 1 1381 549 345 ARG H H 7.817 0.003 1 1382 549 345 ARG C C 179.303 0.002 1 1383 549 345 ARG CA C 60.307 0.192 1 1384 549 345 ARG CB C 30.638 0.000 1 1385 549 345 ARG N N 118.535 0.041 1 1386 550 346 ILE H H 8.172 0.002 1 1387 550 346 ILE C C 179.007 0.034 1 1388 550 346 ILE CA C 64.778 0.138 1 1389 550 346 ILE CB C 41.804 0.000 1 1390 550 346 ILE N N 120.668 0.036 1 1391 551 347 GLU H H 7.941 0.004 1 1392 551 347 GLU C C 178.616 0.033 1 1393 551 347 GLU CA C 59.650 0.070 1 1394 551 347 GLU CB C 30.011 0.000 1 1395 551 347 GLU N N 120.515 0.063 1 1396 552 348 ALA H H 7.777 0.004 1 1397 552 348 ALA C C 179.500 0.029 1 1398 552 348 ALA CA C 54.911 0.166 1 1399 552 348 ALA CB C 18.888 0.000 1 1400 552 348 ALA N N 121.145 0.015 1 1401 553 349 GLN H H 7.733 0.002 1 1402 553 349 GLN C C 177.446 0.010 1 1403 553 349 GLN CA C 58.047 0.080 1 1404 553 349 GLN CB C 29.227 0.000 1 1405 553 349 GLN N N 118.088 0.022 1 1406 554 350 LYS H H 7.859 0.004 1 1407 554 350 LYS C C 177.590 0.026 1 1408 554 350 LYS CA C 58.065 0.000 1 1409 554 350 LYS CB C 32.867 0.029 1 1410 554 350 LYS N N 120.084 0.082 1 1411 555 351 ARG H H 7.845 0.002 1 1412 555 351 ARG C C 176.933 0.005 1 1413 555 351 ARG CA C 57.713 0.000 1 1414 555 351 ARG CB C 30.864 0.017 1 1415 555 351 ARG N N 120.421 0.035 1 1416 556 352 LYS H H 7.960 0.002 1 1417 556 352 LYS C C 177.080 0.020 1 1418 556 352 LYS CA C 57.658 0.034 1 1419 556 352 LYS CB C 33.102 0.000 1 1420 556 352 LYS N N 121.556 0.009 1 1421 557 353 GLU H H 8.130 0.003 1 1422 557 353 GLU C C 176.483 0.006 1 1423 557 353 GLU CA C 57.632 0.184 1 1424 557 353 GLU CB C 30.681 0.000 1 1425 557 353 GLU N N 120.940 0.015 1 1426 558 354 ARG H H 8.039 0.002 1 1427 558 354 ARG C C 175.860 0.000 1 1428 558 354 ARG CA C 56.798 0.081 1 1429 558 354 ARG CB C 31.051 0.000 1 1430 558 354 ARG N N 120.773 0.028 1 1431 559 355 GLN H H 8.278 0.001 1 1432 559 355 GLN C C 174.956 0.006 1 1433 559 355 GLN CA C 56.385 0.000 1 1434 559 355 GLN CB C 29.952 0.000 1 1435 559 355 GLN N N 122.337 0.073 1 1436 560 356 GLU H H 7.930 0.001 1 1437 560 356 GLU C C 174.968 0.000 1 1438 560 356 GLU CA C 58.659 0.114 1 1439 560 356 GLU CB C 31.696 0.000 1 1440 560 356 GLU N N 127.880 0.008 1 stop_ save_