data_27784 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 15N, 13C Chemical Shift Assignment of the Pfr state of monomeric PAS-GAF-PHY from Deinococcus radiodurans ; _BMRB_accession_number 27784 _BMRB_flat_file_name bmr27784.str _Entry_type original _Submission_date 2019-02-13 _Accession_date 2019-02-13 _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 Gustavsson Emil . . 2 Isaksson Linnea . . 3 Persson Cecilia . . 4 Mayzel Maxim . . 5 Brath Ulrika . . 6 Vrhovac Lidija . . 7 Ihalainen Janne . . 8 Karlsson Goran . . 9 Orekhov Vladislav . . 10 Westenhoff Sebastian . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 244 "13C chemical shifts" 768 "15N chemical shifts" 244 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-12-10 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 27783 'the Pr state of monomeric PAS-GAF-PHY' stop_ _Original_release_date 2019-02-13 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; A photoactivated soft-to-rigid transition in the bacteriophytochrome PHY tongue - a solution NMR study of a 57 kDa protein ; _Citation_status 'in press' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gustavsson Emil . . 2 Isaksson Linnea . . 3 Persson Cecilia . . 4 Mayzel Maxim . . 5 Brath Ulrika . . 6 Vrhovac Lidija . . 7 Ihalainen Janne . . 8 Karlsson Goran . . 9 Orekhov Vladislav . . 10 Westenhoff Sebastian . . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PAS-GAF-PHY monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PAS-GAF-PHY $Phytochrome stop_ _System_molecular_weight 57000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Phytochrome _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Phytochrome _Molecular_mass 57000 _Mol_thiol_state 'free and other bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 509 _Mol_residue_sequence ; MSRDPLPFFPPLYLGGPEIT TENCEREPIHIPGSIQPHGA LLTADGHSGEVLQMSLNAAT FLGQEPTVLRGQTLAALLPE QWPALQAALPPGCPDALQYR ATLDWPAAGHLSLTVHRVGE LLILEFEPTEAWDSTGPHAL RNAMSALESAPNLRALAEVA TQTVRELTGFDRVMLYKFAP DATGEVIAEARREGLHAFLG HRFPASDIPAQARALYTRHL LRLTADTRAAAVPLDPVLNP QTNAPTPLGGAVLRATSPMH MQYLRNMGVGSSLSVSVVVG GQLWGLIACHHQTPYVLPPD LRTTLEYLGRELSEQVQVKE AADVAAFRQSLREHHARVAL AAAHSLSPHDTLSDPALDLL GLMRAGGLILRFEGRWQTLG EVPPAPAVDALLAWLETQPG ALVQTDALGQLWPAGADLAP SAAGLLAISVGEGWSECLVW LRPELRLEVAWGGATPDQAK DDLGPRHSFDTYLEEKRGYA EPWHPGEIEEAQDLRDTLTG ALEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ARG 4 ASP 5 PRO 6 LEU 7 PRO 8 PHE 9 PHE 10 PRO 11 PRO 12 LEU 13 TYR 14 LEU 15 GLY 16 GLY 17 PRO 18 GLU 19 ILE 20 THR 21 THR 22 GLU 23 ASN 24 CYS 25 GLU 26 ARG 27 GLU 28 PRO 29 ILE 30 HIS 31 ILE 32 PRO 33 GLY 34 SER 35 ILE 36 GLN 37 PRO 38 HIS 39 GLY 40 ALA 41 LEU 42 LEU 43 THR 44 ALA 45 ASP 46 GLY 47 HIS 48 SER 49 GLY 50 GLU 51 VAL 52 LEU 53 GLN 54 MET 55 SER 56 LEU 57 ASN 58 ALA 59 ALA 60 THR 61 PHE 62 LEU 63 GLY 64 GLN 65 GLU 66 PRO 67 THR 68 VAL 69 LEU 70 ARG 71 GLY 72 GLN 73 THR 74 LEU 75 ALA 76 ALA 77 LEU 78 LEU 79 PRO 80 GLU 81 GLN 82 TRP 83 PRO 84 ALA 85 LEU 86 GLN 87 ALA 88 ALA 89 LEU 90 PRO 91 PRO 92 GLY 93 CYS 94 PRO 95 ASP 96 ALA 97 LEU 98 GLN 99 TYR 100 ARG 101 ALA 102 THR 103 LEU 104 ASP 105 TRP 106 PRO 107 ALA 108 ALA 109 GLY 110 HIS 111 LEU 112 SER 113 LEU 114 THR 115 VAL 116 HIS 117 ARG 118 VAL 119 GLY 120 GLU 121 LEU 122 LEU 123 ILE 124 LEU 125 GLU 126 PHE 127 GLU 128 PRO 129 THR 130 GLU 131 ALA 132 TRP 133 ASP 134 SER 135 THR 136 GLY 137 PRO 138 HIS 139 ALA 140 LEU 141 ARG 142 ASN 143 ALA 144 MET 145 SER 146 ALA 147 LEU 148 GLU 149 SER 150 ALA 151 PRO 152 ASN 153 LEU 154 ARG 155 ALA 156 LEU 157 ALA 158 GLU 159 VAL 160 ALA 161 THR 162 GLN 163 THR 164 VAL 165 ARG 166 GLU 167 LEU 168 THR 169 GLY 170 PHE 171 ASP 172 ARG 173 VAL 174 MET 175 LEU 176 TYR 177 LYS 178 PHE 179 ALA 180 PRO 181 ASP 182 ALA 183 THR 184 GLY 185 GLU 186 VAL 187 ILE 188 ALA 189 GLU 190 ALA 191 ARG 192 ARG 193 GLU 194 GLY 195 LEU 196 HIS 197 ALA 198 PHE 199 LEU 200 GLY 201 HIS 202 ARG 203 PHE 204 PRO 205 ALA 206 SER 207 ASP 208 ILE 209 PRO 210 ALA 211 GLN 212 ALA 213 ARG 214 ALA 215 LEU 216 TYR 217 THR 218 ARG 219 HIS 220 LEU 221 LEU 222 ARG 223 LEU 224 THR 225 ALA 226 ASP 227 THR 228 ARG 229 ALA 230 ALA 231 ALA 232 VAL 233 PRO 234 LEU 235 ASP 236 PRO 237 VAL 238 LEU 239 ASN 240 PRO 241 GLN 242 THR 243 ASN 244 ALA 245 PRO 246 THR 247 PRO 248 LEU 249 GLY 250 GLY 251 ALA 252 VAL 253 LEU 254 ARG 255 ALA 256 THR 257 SER 258 PRO 259 MET 260 HIS 261 MET 262 GLN 263 TYR 264 LEU 265 ARG 266 ASN 267 MET 268 GLY 269 VAL 270 GLY 271 SER 272 SER 273 LEU 274 SER 275 VAL 276 SER 277 VAL 278 VAL 279 VAL 280 GLY 281 GLY 282 GLN 283 LEU 284 TRP 285 GLY 286 LEU 287 ILE 288 ALA 289 CYS 290 HIS 291 HIS 292 GLN 293 THR 294 PRO 295 TYR 296 VAL 297 LEU 298 PRO 299 PRO 300 ASP 301 LEU 302 ARG 303 THR 304 THR 305 LEU 306 GLU 307 TYR 308 LEU 309 GLY 310 ARG 311 GLU 312 LEU 313 SER 314 GLU 315 GLN 316 VAL 317 GLN 318 VAL 319 LYS 320 GLU 321 ALA 322 ALA 323 ASP 324 VAL 325 ALA 326 ALA 327 PHE 328 ARG 329 GLN 330 SER 331 LEU 332 ARG 333 GLU 334 HIS 335 HIS 336 ALA 337 ARG 338 VAL 339 ALA 340 LEU 341 ALA 342 ALA 343 ALA 344 HIS 345 SER 346 LEU 347 SER 348 PRO 349 HIS 350 ASP 351 THR 352 LEU 353 SER 354 ASP 355 PRO 356 ALA 357 LEU 358 ASP 359 LEU 360 LEU 361 GLY 362 LEU 363 MET 364 ARG 365 ALA 366 GLY 367 GLY 368 LEU 369 ILE 370 LEU 371 ARG 372 PHE 373 GLU 374 GLY 375 ARG 376 TRP 377 GLN 378 THR 379 LEU 380 GLY 381 GLU 382 VAL 383 PRO 384 PRO 385 ALA 386 PRO 387 ALA 388 VAL 389 ASP 390 ALA 391 LEU 392 LEU 393 ALA 394 TRP 395 LEU 396 GLU 397 THR 398 GLN 399 PRO 400 GLY 401 ALA 402 LEU 403 VAL 404 GLN 405 THR 406 ASP 407 ALA 408 LEU 409 GLY 410 GLN 411 LEU 412 TRP 413 PRO 414 ALA 415 GLY 416 ALA 417 ASP 418 LEU 419 ALA 420 PRO 421 SER 422 ALA 423 ALA 424 GLY 425 LEU 426 LEU 427 ALA 428 ILE 429 SER 430 VAL 431 GLY 432 GLU 433 GLY 434 TRP 435 SER 436 GLU 437 CYS 438 LEU 439 VAL 440 TRP 441 LEU 442 ARG 443 PRO 444 GLU 445 LEU 446 ARG 447 LEU 448 GLU 449 VAL 450 ALA 451 TRP 452 GLY 453 GLY 454 ALA 455 THR 456 PRO 457 ASP 458 GLN 459 ALA 460 LYS 461 ASP 462 ASP 463 LEU 464 GLY 465 PRO 466 ARG 467 HIS 468 SER 469 PHE 470 ASP 471 THR 472 TYR 473 LEU 474 GLU 475 GLU 476 LYS 477 ARG 478 GLY 479 TYR 480 ALA 481 GLU 482 PRO 483 TRP 484 HIS 485 PRO 486 GLY 487 GLU 488 ILE 489 GLU 490 GLU 491 ALA 492 GLN 493 ASP 494 LEU 495 ARG 496 ASP 497 THR 498 LEU 499 THR 500 GLY 501 ALA 502 LEU 503 GLU 504 HIS 505 HIS 506 HIS 507 HIS 508 HIS 509 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Phytochrome 'Deinococcus radiodurans' 1299 Bacteria . Deinococcus radiodurans 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 $Phytochrome 'recombinant technology' . Escherichia coli . pET21b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Pfr_state _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Phytochrome 0.8 mM '[U-13C; U-15N; U-2H]' 'sodium chloride' 50 mM 'natural abundance' 'sodium phosphate' 25 mM 'natural abundance' azide 0.02 % 'natural abundance' 'Complete EDTA free' 2 tablet/100mL 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCPN _Saveframe_category software _Name CCPN _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $Pfr_state save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $Pfr_state save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $Pfr_state save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $Pfr_state save_ save_3D_HN(CO)CACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $Pfr_state save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $Pfr_state save_ save_2D_1H-15N_TROSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY' _Sample_label $Pfr_state save_ save_3D_1H-15N_NOESY_TROSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY TROSY' _Sample_label $Pfr_state 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' 0.025 . M pH 6.9 . 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_ _Software_label $CCPN stop_ loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HN(CO)CACB' '3D HN(CA)CO' '2D 1H-15N TROSY' '3D 1H-15N NOESY TROSY' stop_ loop_ _Sample_label $Pfr_state stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PAS-GAF-PHY _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 17 17 PRO C C 175.6614 . 1 2 17 17 PRO CA C 61.7029 . 1 3 17 17 PRO CB C 31.3049 . 1 4 18 18 GLU H H 7.7668 . 1 5 18 18 GLU C C 176.9086 . 1 6 18 18 GLU CA C 56.4258 . 1 7 18 18 GLU CB C 29.1469 . 1 8 18 18 GLU N N 116.8126 . 1 9 19 19 ILE H H 8.4717 . 1 10 19 19 ILE C C 176.3147 . 1 11 19 19 ILE CA C 58.2944 . 1 12 19 19 ILE CB C 34.8650 . 1 13 19 19 ILE N N 126.6909 . 1 14 20 20 THR H H 9.5245 . 1 15 20 20 THR C C 175.2443 . 1 16 20 20 THR CA C 59.3803 . 1 17 20 20 THR CB C 72.5904 . 1 18 20 20 THR N N 120.7560 . 1 19 21 21 THR H H 8.4305 . 1 20 21 21 THR C C 176.0596 . 1 21 21 21 THR CA C 64.2843 . 1 22 21 21 THR CB C 68.0952 . 1 23 21 21 THR N N 109.2726 . 1 24 22 22 GLU H H 8.2001 . 1 25 22 22 GLU CA C 57.2120 . 1 26 22 22 GLU N N 118.8019 . 1 27 32 32 PRO C C 179.3398 . 1 28 32 32 PRO CA C 65.0722 . 1 29 32 32 PRO CB C 30.7559 . 1 30 33 33 GLY H H 8.5675 . 1 31 33 33 GLY C C 172.1679 . 1 32 33 33 GLY CA C 46.4355 . 1 33 33 33 GLY N N 110.0790 . 1 34 34 34 SER H H 7.0024 . 1 35 34 34 SER C C 172.8614 . 1 36 34 34 SER CA C 56.1351 . 1 37 34 34 SER CB C 65.1771 . 1 38 34 34 SER N N 108.7040 . 1 39 35 35 ILE H H 8.8270 . 1 40 35 35 ILE CA C 58.3372 . 1 41 35 35 ILE N N 110.7382 . 1 42 36 36 GLN H H 8.9870 . 1 43 36 36 GLN CA C 53.9444 . 1 44 36 36 GLN CB C 29.4583 . 1 45 36 36 GLN N N 122.0954 . 1 46 37 37 PRO C C 176.8239 . 1 47 37 37 PRO CA C 64.2181 . 1 48 37 37 PRO CB C 31.2601 . 1 49 38 38 HIS H H 7.8673 . 1 50 38 38 HIS C C 174.1242 . 1 51 38 38 HIS CA C 57.4867 . 1 52 38 38 HIS CB C 29.2582 . 1 53 38 38 HIS N N 117.9827 . 1 54 39 39 GLY H H 6.6266 . 1 55 39 39 GLY C C 169.3206 . 1 56 39 39 GLY CA C 43.6813 . 1 57 39 39 GLY N N 106.4295 . 1 58 40 40 ALA H H 8.1975 . 1 59 40 40 ALA C C 174.0058 . 1 60 40 40 ALA CA C 49.3208 . 1 61 40 40 ALA CB C 21.5910 . 1 62 40 40 ALA N N 116.5540 . 1 63 43 43 THR C C 173.9611 . 1 64 44 44 ALA H H 9.3799 . 1 65 44 44 ALA C C 175.3960 . 1 66 44 44 ALA CB C 23.1216 . 1 67 44 44 ALA N N 123.5354 . 1 68 45 45 ASP H H 8.8334 . 1 69 45 45 ASP C C 178.3477 . 1 70 45 45 ASP CA C 55.4375 . 1 71 45 45 ASP CB C 43.7745 . 1 72 45 45 ASP N N 122.7479 . 1 73 46 46 GLY H H 8.8964 . 1 74 46 46 GLY C C 173.2153 . 1 75 46 46 GLY CA C 46.2690 . 1 76 46 46 GLY N N 112.7915 . 1 77 47 47 HIS H H 9.0778 . 1 78 47 47 HIS C C 176.7126 . 1 79 47 47 HIS CA C 57.6316 . 1 80 47 47 HIS CB C 30.8348 . 1 81 47 47 HIS N N 119.5666 . 1 82 48 48 SER H H 9.3697 . 1 83 48 48 SER C C 177.0906 . 1 84 48 48 SER CA C 58.3324 . 1 85 48 48 SER CB C 64.6341 . 1 86 48 48 SER N N 114.2690 . 1 87 49 49 GLY H H 8.3875 . 1 88 49 49 GLY C C 173.8898 . 1 89 49 49 GLY CA C 46.0990 . 1 90 49 49 GLY N N 111.5114 . 1 91 50 50 GLU H H 8.1464 . 1 92 50 50 GLU C C 176.1363 . 1 93 50 50 GLU CA C 57.0430 . 1 94 50 50 GLU CB C 29.8857 . 1 95 50 50 GLU N N 121.8216 . 1 96 51 51 VAL H H 8.7223 . 1 97 51 51 VAL C C 176.1481 . 1 98 51 51 VAL CA C 64.2691 . 1 99 51 51 VAL CB C 30.7920 . 1 100 51 51 VAL N N 126.4708 . 1 101 52 52 LEU H H 9.1898 . 1 102 52 52 LEU C C 176.9358 . 1 103 52 52 LEU CA C 55.4767 . 1 104 52 52 LEU CB C 43.2459 . 1 105 52 52 LEU N N 129.5964 . 1 106 53 53 GLN H H 7.6262 . 1 107 53 53 GLN C C 174.6406 . 1 108 53 53 GLN CA C 53.5126 . 1 109 53 53 GLN N N 114.2339 . 1 110 54 54 MET H H 8.4101 . 1 111 54 54 MET C C 175.7444 . 1 112 54 54 MET CA C 53.4921 . 1 113 54 54 MET CB C 36.1067 . 1 114 54 54 MET N N 114.9481 . 1 115 55 55 SER H H 9.3300 . 1 116 55 55 SER C C 177.8207 . 1 117 55 55 SER CA C 58.4692 . 1 118 55 55 SER CB C 63.3384 . 1 119 55 55 SER N N 118.9376 . 1 120 56 56 LEU H H 8.4036 . 1 121 56 56 LEU CA C 57.4995 . 1 122 56 56 LEU CB C 40.9744 . 1 123 56 56 LEU N N 121.8868 . 1 124 58 58 ALA H H 8.0321 . 1 125 58 58 ALA C C 178.5013 . 1 126 58 58 ALA CA C 56.1395 . 1 127 58 58 ALA CB C 17.9979 . 1 128 58 58 ALA N N 123.5010 . 1 129 59 59 ALA H H 8.5271 . 1 130 59 59 ALA C C 180.0157 . 1 131 59 59 ALA CA C 55.4219 . 1 132 59 59 ALA CB C 17.2903 . 1 133 59 59 ALA N N 119.0068 . 1 134 60 60 THR H H 7.8985 . 1 135 60 60 THR C C 176.5515 . 1 136 60 60 THR CA C 65.0817 . 1 137 60 60 THR CB C 68.3553 . 1 138 60 60 THR N N 113.0512 . 1 139 61 61 PHE H H 8.0323 . 1 140 61 61 PHE C C 176.2250 . 1 141 61 61 PHE CA C 60.5311 . 1 142 61 61 PHE N N 122.1447 . 1 143 62 62 LEU H H 8.1154 . 1 144 62 62 LEU C C 178.3686 . 1 145 62 62 LEU CA C 53.9559 . 1 146 62 62 LEU CB C 41.2354 . 1 147 62 62 LEU N N 112.6304 . 1 148 63 63 GLY H H 7.8291 . 1 149 63 63 GLY C C 174.2159 . 1 150 63 63 GLY CA C 46.5888 . 1 151 63 63 GLY N N 110.1517 . 1 152 64 64 GLN H H 7.7513 . 1 153 64 64 GLN C C 174.3076 . 1 154 64 64 GLN CA C 53.0980 . 1 155 64 64 GLN CB C 32.2220 . 1 156 64 64 GLN N N 116.6444 . 1 157 65 65 GLU H H 8.4864 . 1 158 65 65 GLU CA C 54.4616 . 1 159 65 65 GLU CB C 28.9190 . 1 160 65 65 GLU N N 121.0914 . 1 161 66 66 PRO C C 177.8887 . 1 162 66 66 PRO CA C 66.0884 . 1 163 66 66 PRO CB C 31.1974 . 1 164 67 67 THR H H 7.8193 . 1 165 67 67 THR C C 176.1757 . 1 166 67 67 THR CA C 64.1404 . 1 167 67 67 THR CB C 68.2349 . 1 168 67 67 THR N N 106.7895 . 1 169 68 68 VAL H H 7.2597 . 1 170 68 68 VAL C C 177.6873 . 1 171 68 68 VAL CA C 63.7030 . 1 172 68 68 VAL CB C 31.4517 . 1 173 68 68 VAL N N 120.9244 . 1 174 69 69 LEU H H 7.6598 . 1 175 69 69 LEU C C 177.3232 . 1 176 69 69 LEU CA C 57.0923 . 1 177 69 69 LEU CB C 42.3147 . 1 178 69 69 LEU N N 120.7484 . 1 179 70 70 ARG H H 7.6408 . 1 180 70 70 ARG C C 176.9573 . 1 181 70 70 ARG CA C 57.8999 . 1 182 70 70 ARG CB C 29.0672 . 1 183 70 70 ARG N N 114.8423 . 1 184 71 71 GLY H H 7.9618 . 1 185 71 71 GLY C C 174.6394 . 1 186 71 71 GLY CA C 44.9488 . 1 187 71 71 GLY N N 109.8168 . 1 188 72 72 GLN H H 7.5867 . 1 189 72 72 GLN C C 175.6165 . 1 190 72 72 GLN CA C 55.0847 . 1 191 72 72 GLN CB C 29.7339 . 1 192 72 72 GLN N N 119.9620 . 1 193 73 73 THR H H 8.0537 . 1 194 73 73 THR C C 176.9714 . 1 195 73 73 THR CA C 58.9484 . 1 196 73 73 THR CB C 70.7336 . 1 197 73 73 THR N N 109.8412 . 1 198 74 74 LEU H H 8.6623 . 1 199 74 74 LEU C C 177.4706 . 1 200 74 74 LEU CA C 56.9598 . 1 201 74 74 LEU CB C 40.7700 . 1 202 74 74 LEU N N 121.3275 . 1 203 75 75 ALA H H 7.2010 . 1 204 75 75 ALA C C 178.4148 . 1 205 75 75 ALA CA C 54.3247 . 1 206 75 75 ALA CB C 17.2014 . 1 207 75 75 ALA N N 118.5365 . 1 208 76 76 ALA H H 7.0468 . 1 209 76 76 ALA C C 179.3946 . 1 210 76 76 ALA CA C 52.6628 . 1 211 76 76 ALA CB C 18.7993 . 1 212 76 76 ALA N N 117.3538 . 1 213 77 77 LEU H H 7.9023 . 1 214 77 77 LEU C C 176.8293 . 1 215 77 77 LEU CA C 56.8175 . 1 216 77 77 LEU CB C 43.9513 . 1 217 77 77 LEU N N 118.7449 . 1 218 78 78 LEU H H 8.4172 . 1 219 78 78 LEU C C 174.0060 . 1 220 78 78 LEU CA C 51.2267 . 1 221 78 78 LEU CB C 42.4120 . 1 222 78 78 LEU N N 116.3254 . 1 223 79 79 PRO C C 179.9922 . 1 224 79 79 PRO CA C 65.7703 . 1 225 79 79 PRO CB C 30.8610 . 1 226 80 80 GLU H H 8.5359 . 1 227 80 80 GLU C C 178.2782 . 1 228 80 80 GLU CA C 57.6797 . 1 229 80 80 GLU CB C 28.8832 . 1 230 80 80 GLU N N 113.6574 . 1 231 81 81 GLN H H 7.5116 . 1 232 81 81 GLN C C 176.8763 . 1 233 81 81 GLN CA C 57.4706 . 1 234 81 81 GLN CB C 28.0806 . 1 235 81 81 GLN N N 116.6381 . 1 236 82 82 TRP H H 8.7588 . 1 237 82 82 TRP C C 173.4928 . 1 238 82 82 TRP CA C 61.2439 . 1 239 82 82 TRP CB C 27.5470 . 1 240 82 82 TRP N N 120.4237 . 1 241 83 83 PRO C C 179.6092 . 1 242 83 83 PRO CA C 65.3096 . 1 243 83 83 PRO CB C 29.6540 . 1 244 84 84 ALA H H 6.7680 . 1 245 84 84 ALA C C 180.1639 . 1 246 84 84 ALA CA C 54.1847 . 1 247 84 84 ALA CB C 17.8766 . 1 248 84 84 ALA N N 120.4234 . 1 249 85 85 LEU H H 8.3950 . 1 250 85 85 LEU C C 177.9798 . 1 251 85 85 LEU CA C 57.6789 . 1 252 85 85 LEU CB C 40.6120 . 1 253 85 85 LEU N N 121.4984 . 1 254 86 86 GLN H H 7.3983 . 1 255 86 86 GLN C C 178.0421 . 1 256 86 86 GLN CA C 58.2915 . 1 257 86 86 GLN CB C 28.8174 . 1 258 86 86 GLN N N 117.0318 . 1 259 87 87 ALA H H 6.9615 . 1 260 87 87 ALA C C 179.0065 . 1 261 87 87 ALA CA C 53.1349 . 1 262 87 87 ALA CB C 17.8496 . 1 263 87 87 ALA N N 118.0566 . 1 264 88 88 ALA H H 7.6908 . 1 265 88 88 ALA C C 177.5000 . 1 266 88 88 ALA CA C 53.4817 . 1 267 88 88 ALA CB C 19.6538 . 1 268 88 88 ALA N N 118.9756 . 1 269 89 89 LEU H H 7.1114 . 1 270 89 89 LEU C C 177.5194 . 1 271 89 89 LEU CA C 50.6536 . 1 272 89 89 LEU CB C 40.9821 . 1 273 89 89 LEU N N 115.3789 . 1 274 94 94 PRO C C 178.2329 . 1 275 94 94 PRO CA C 63.0992 . 1 276 94 94 PRO CB C 31.5868 . 1 277 95 95 ASP H H 8.8234 . 1 278 95 95 ASP C C 176.0736 . 1 279 95 95 ASP CA C 55.6028 . 1 280 95 95 ASP CB C 40.2637 . 1 281 95 95 ASP N N 123.0775 . 1 282 96 96 ALA H H 7.0952 . 1 283 96 96 ALA C C 177.6734 . 1 284 96 96 ALA CA C 51.4702 . 1 285 96 96 ALA CB C 18.7118 . 1 286 96 96 ALA N N 117.3707 . 1 287 97 97 LEU H H 7.3632 . 1 288 97 97 LEU C C 175.6639 . 1 289 97 97 LEU CA C 55.1856 . 1 290 97 97 LEU CB C 41.9531 . 1 291 97 97 LEU N N 121.1533 . 1 292 98 98 GLN H H 8.2505 . 1 293 98 98 GLN C C 176.4897 . 1 294 98 98 GLN CA C 53.6156 . 1 295 98 98 GLN CB C 31.3509 . 1 296 98 98 GLN N N 120.9004 . 1 297 99 99 TYR H H 9.3148 . 1 298 99 99 TYR C C 173.7605 . 1 299 99 99 TYR CA C 56.9090 . 1 300 99 99 TYR CB C 40.4741 . 1 301 99 99 TYR N N 124.8900 . 1 302 100 100 ARG H H 7.6922 . 1 303 100 100 ARG C C 174.6040 . 1 304 100 100 ARG CA C 53.7517 . 1 305 100 100 ARG CB C 32.7956 . 1 306 100 100 ARG N N 127.0638 . 1 307 101 101 ALA H H 8.7894 . 1 308 101 101 ALA C C 175.8367 . 1 309 101 101 ALA CA C 50.9057 . 1 310 101 101 ALA CB C 22.5277 . 1 311 101 101 ALA N N 123.4889 . 1 312 102 102 THR H H 8.3395 . 1 313 102 102 THR C C 173.6840 . 1 314 102 102 THR CA C 61.0812 . 1 315 102 102 THR CB C 69.7985 . 1 316 102 102 THR N N 114.9469 . 1 317 103 103 LEU H H 9.3274 . 1 318 103 103 LEU C C 175.3105 . 1 319 103 103 LEU CA C 53.6375 . 1 320 103 103 LEU CB C 43.4577 . 1 321 103 103 LEU N N 124.6204 . 1 322 104 104 ASP H H 8.6864 . 1 323 104 104 ASP C C 175.0325 . 1 324 104 104 ASP CA C 53.5759 . 1 325 104 104 ASP CB C 40.6088 . 1 326 104 104 ASP N N 123.0533 . 1 327 105 105 TRP H H 8.4398 . 1 328 105 105 TRP C C 175.0374 . 1 329 105 105 TRP CA C 53.6925 . 1 330 105 105 TRP CB C 31.5308 . 1 331 105 105 TRP N N 128.1371 . 1 332 106 106 PRO C C 177.6672 . 1 333 106 106 PRO CA C 65.0326 . 1 334 107 107 ALA H H 8.1098 . 1 335 107 107 ALA C C 177.4907 . 1 336 107 107 ALA CA C 54.0955 . 1 337 107 107 ALA CB C 18.0599 . 1 338 107 107 ALA N N 119.7185 . 1 339 108 108 ALA H H 8.2301 . 1 340 108 108 ALA C C 177.2343 . 1 341 108 108 ALA CA C 52.5434 . 1 342 108 108 ALA CB C 20.8725 . 1 343 108 108 ALA N N 120.6449 . 1 344 109 109 GLY H H 8.3653 . 1 345 109 109 GLY C C 172.9946 . 1 346 109 109 GLY CA C 44.6248 . 1 347 109 109 GLY N N 108.1088 . 1 348 110 110 HIS H H 8.3846 . 1 349 110 110 HIS C C 175.3814 . 1 350 110 110 HIS CA C 55.9442 . 1 351 110 110 HIS CB C 29.6376 . 1 352 110 110 HIS N N 121.0478 . 1 353 111 111 LEU H H 9.1637 . 1 354 111 111 LEU C C 176.1359 . 1 355 111 111 LEU CA C 53.1120 . 1 356 111 111 LEU CB C 45.5735 . 1 357 111 111 LEU N N 123.9449 . 1 358 112 112 SER H H 9.5051 . 1 359 112 112 SER C C 173.1217 . 1 360 112 112 SER CA C 57.2991 . 1 361 112 112 SER CB C 63.4275 . 1 362 112 112 SER N N 116.9543 . 1 363 113 113 LEU H H 9.0856 . 1 364 113 113 LEU C C 175.3082 . 1 365 113 113 LEU CA C 52.8137 . 1 366 113 113 LEU CB C 43.8673 . 1 367 113 113 LEU N N 131.1480 . 1 368 116 116 HIS C C 170.7267 . 1 369 116 116 HIS CA C 55.4423 . 1 370 116 116 HIS CB C 31.1995 . 1 371 117 117 ARG H H 10.4984 . 1 372 117 117 ARG C C 175.9991 . 1 373 117 117 ARG CA C 54.3170 . 1 374 117 117 ARG CB C 33.5047 . 1 375 117 117 ARG N N 124.6200 . 1 376 118 118 VAL H H 8.8603 . 1 377 118 118 VAL C C 177.0302 . 1 378 118 118 VAL CA C 60.2412 . 1 379 118 118 VAL CB C 32.6665 . 1 380 118 118 VAL N N 125.8180 . 1 381 119 119 GLY H H 9.0404 . 1 382 119 119 GLY CA C 47.5384 . 1 383 119 119 GLY N N 117.9151 . 1 384 128 128 PRO C C 176.3489 . 1 385 128 128 PRO CA C 63.1082 . 1 386 128 128 PRO CB C 31.5045 . 1 387 129 129 THR H H 8.1566 . 1 388 129 129 THR C C 173.1274 . 1 389 129 129 THR CA C 60.6738 . 1 390 129 129 THR CB C 70.1970 . 1 391 129 129 THR N N 114.6899 . 1 392 130 130 GLU H H 7.9425 . 1 393 130 130 GLU C C 175.7785 . 1 394 130 130 GLU CA C 55.0794 . 1 395 130 130 GLU CB C 30.9518 . 1 396 130 130 GLU N N 123.1710 . 1 397 131 131 ALA H H 8.4224 . 1 398 131 131 ALA C C 176.9575 . 1 399 131 131 ALA CA C 52.2511 . 1 400 131 131 ALA CB C 18.0444 . 1 401 131 131 ALA N N 124.6886 . 1 402 132 132 TRP H H 7.9890 . 1 403 132 132 TRP C C 175.6125 . 1 404 132 132 TRP N N 121.0323 . 1 405 142 142 ASN C C 177.7805 . 1 406 142 142 ASN CA C 55.4460 . 1 407 142 142 ASN CB C 37.3369 . 1 408 143 143 ALA H H 8.0048 . 1 409 143 143 ALA C C 179.3059 . 1 410 143 143 ALA CA C 54.4901 . 1 411 143 143 ALA CB C 17.9432 . 1 412 143 143 ALA N N 124.1464 . 1 413 144 144 MET H H 8.4283 . 1 414 144 144 MET C C 179.3871 . 1 415 144 144 MET CA C 57.9445 . 1 416 144 144 MET CB C 30.8718 . 1 417 144 144 MET N N 116.0666 . 1 418 145 145 SER H H 8.0203 . 1 419 145 145 SER C C 176.8950 . 1 420 145 145 SER CA C 61.0946 . 1 421 145 145 SER CB C 62.2690 . 1 422 145 145 SER N N 114.9874 . 1 423 146 146 ALA H H 7.7507 . 1 424 146 146 ALA C C 180.1887 . 1 425 146 146 ALA CA C 54.4017 . 1 426 146 146 ALA CB C 17.3155 . 1 427 146 146 ALA N N 125.0929 . 1 428 147 147 LEU H H 7.9296 . 1 429 147 147 LEU C C 178.4308 . 1 430 147 147 LEU CA C 57.6996 . 1 431 147 147 LEU CB C 40.4952 . 1 432 147 147 LEU N N 117.4038 . 1 433 148 148 GLU H H 7.8500 . 1 434 148 148 GLU C C 178.9695 . 1 435 148 148 GLU CA C 58.6667 . 1 436 148 148 GLU CB C 28.9417 . 1 437 148 148 GLU N N 116.6933 . 1 438 149 149 SER H H 7.7400 . 1 439 149 149 SER C C 174.4101 . 1 440 149 149 SER CA C 58.7199 . 1 441 149 149 SER CB C 63.3790 . 1 442 149 149 SER N N 111.6686 . 1 443 150 150 ALA H H 7.2301 . 1 444 150 150 ALA C C 178.5791 . 1 445 150 150 ALA CA C 50.0968 . 1 446 150 150 ALA CB C 16.8994 . 1 447 150 150 ALA N N 127.3770 . 1 448 158 158 GLU C C 179.1465 . 1 449 158 158 GLU CA C 59.6707 . 1 450 158 158 GLU CB C 28.8697 . 1 451 159 159 VAL H H 8.5923 . 1 452 159 159 VAL C C 180.0582 . 1 453 159 159 VAL CA C 65.3576 . 1 454 159 159 VAL CB C 30.9581 . 1 455 159 159 VAL N N 119.8693 . 1 456 160 160 ALA H H 9.0439 . 1 457 160 160 ALA C C 179.2549 . 1 458 160 160 ALA CA C 55.8772 . 1 459 160 160 ALA CB C 17.7476 . 1 460 160 160 ALA N N 124.9580 . 1 461 161 161 THR H H 7.8715 . 1 462 161 161 THR C C 176.8968 . 1 463 161 161 THR CA C 65.2108 . 1 464 161 161 THR CB C 67.9615 . 1 465 161 161 THR N N 106.9806 . 1 466 162 162 GLN H H 7.9192 . 1 467 162 162 GLN C C 178.8628 . 1 468 162 162 GLN CA C 58.9096 . 1 469 162 162 GLN CB C 27.4584 . 1 470 162 162 GLN N N 122.5459 . 1 471 163 163 THR H H 8.6603 . 1 472 163 163 THR C C 176.7949 . 1 473 163 163 THR CA C 66.5689 . 1 474 163 163 THR CB C 68.2518 . 1 475 163 163 THR N N 116.5702 . 1 476 164 164 VAL H H 8.2034 . 1 477 164 164 VAL C C 179.6710 . 1 478 164 164 VAL CA C 67.0627 . 1 479 164 164 VAL CB C 30.3919 . 1 480 164 164 VAL N N 120.2608 . 1 481 165 165 ARG H H 8.5226 . 1 482 165 165 ARG C C 177.9600 . 1 483 165 165 ARG CA C 61.7414 . 1 484 165 165 ARG N N 124.5503 . 1 485 166 166 GLU H H 8.4385 . 1 486 166 166 GLU C C 179.0136 . 1 487 166 166 GLU CA C 59.3400 . 1 488 166 166 GLU CB C 28.6347 . 1 489 166 166 GLU N N 121.4779 . 1 490 167 167 LEU H H 8.0377 . 1 491 167 167 LEU CA C 57.0414 . 1 492 167 167 LEU CB C 43.0608 . 1 493 167 167 LEU N N 116.2733 . 1 494 210 210 ALA CA C 56.1690 . 1 495 217 217 THR C C 174.0207 . 1 496 217 217 THR CA C 65.2616 . 1 497 218 218 ARG H H 7.2018 . 1 498 218 218 ARG C C 175.0022 . 1 499 218 218 ARG CA C 56.4261 . 1 500 218 218 ARG CB C 31.8360 . 1 501 218 218 ARG N N 119.7830 . 1 502 219 219 HIS H H 7.8823 . 1 503 219 219 HIS C C 177.1370 . 1 504 219 219 HIS CA C 55.0586 . 1 505 219 219 HIS CB C 30.2825 . 1 506 219 219 HIS N N 119.6879 . 1 507 220 220 LEU H H 8.5471 . 1 508 220 220 LEU C C 175.1408 . 1 509 220 220 LEU CA C 57.7725 . 1 510 220 220 LEU CB C 41.2032 . 1 511 220 220 LEU N N 122.4219 . 1 512 221 221 LEU H H 7.9844 . 1 513 221 221 LEU C C 174.8275 . 1 514 221 221 LEU CA C 54.8659 . 1 515 221 221 LEU CB C 44.7907 . 1 516 221 221 LEU N N 121.9135 . 1 517 222 222 ARG H H 8.3423 . 1 518 222 222 ARG CA C 55.4823 . 1 519 222 222 ARG CB C 27.3619 . 1 520 222 222 ARG N N 121.9165 . 1 521 224 224 THR C C 174.3274 . 1 522 224 224 THR CA C 62.5677 . 1 523 225 225 ALA H H 8.0654 . 1 524 225 225 ALA C C 176.8037 . 1 525 225 225 ALA CA C 54.8159 . 1 526 225 225 ALA N N 129.6117 . 1 527 226 226 ASP H H 7.5138 . 1 528 226 226 ASP C C 178.5998 . 1 529 226 226 ASP CA C 52.8580 . 1 530 226 226 ASP CB C 41.9165 . 1 531 226 226 ASP N N 112.7599 . 1 532 227 227 THR H H 8.4705 . 1 533 227 227 THR C C 174.0433 . 1 534 227 227 THR CA C 62.8426 . 1 535 227 227 THR CB C 67.9067 . 1 536 227 227 THR N N 116.2484 . 1 537 228 228 ARG H H 8.7509 . 1 538 228 228 ARG C C 176.5025 . 1 539 228 228 ARG CA C 55.3571 . 1 540 228 228 ARG CB C 29.8401 . 1 541 228 228 ARG N N 119.7527 . 1 542 229 229 ALA H H 7.1444 . 1 543 229 229 ALA C C 177.4306 . 1 544 229 229 ALA CA C 51.7754 . 1 545 229 229 ALA CB C 19.2297 . 1 546 229 229 ALA N N 123.7843 . 1 547 230 230 ALA H H 8.3784 . 1 548 230 230 ALA C C 176.8241 . 1 549 230 230 ALA CA C 51.1872 . 1 550 230 230 ALA CB C 18.5354 . 1 551 230 230 ALA N N 126.5985 . 1 552 231 231 ALA H H 8.1089 . 1 553 231 231 ALA C C 177.8754 . 1 554 231 231 ALA CA C 51.4295 . 1 555 231 231 ALA CB C 19.5147 . 1 556 231 231 ALA N N 123.7273 . 1 557 232 232 VAL H H 9.4189 . 1 558 232 232 VAL C C 174.3622 . 1 559 232 232 VAL CA C 58.5789 . 1 560 232 232 VAL CB C 33.3193 . 1 561 232 232 VAL N N 122.6714 . 1 562 236 236 PRO C C 176.8467 . 1 563 236 236 PRO CA C 63.4304 . 1 564 236 236 PRO CB C 33.3151 . 1 565 237 237 VAL H H 8.4707 . 1 566 237 237 VAL C C 175.7736 . 1 567 237 237 VAL CA C 64.9760 . 1 568 237 237 VAL CB C 31.2427 . 1 569 237 237 VAL N N 121.3735 . 1 570 238 238 LEU H H 7.4875 . 1 571 238 238 LEU C C 176.6111 . 1 572 238 238 LEU CA C 52.3307 . 1 573 238 238 LEU CB C 40.2937 . 1 574 238 238 LEU N N 119.0870 . 1 575 239 239 ASN H H 8.1258 . 1 576 239 239 ASN C C 175.8047 . 1 577 239 239 ASN CA C 50.4913 . 1 578 239 239 ASN CB C 38.1725 . 1 579 239 239 ASN N N 122.0202 . 1 580 240 240 PRO C C 178.0732 . 1 581 240 240 PRO CA C 63.8156 . 1 582 240 240 PRO CB C 31.5270 . 1 583 241 241 GLN H H 8.0170 . 1 584 241 241 GLN C C 178.3483 . 1 585 241 241 GLN CA C 57.9405 . 1 586 241 241 GLN CB C 29.7305 . 1 587 241 241 GLN N N 114.2274 . 1 588 242 242 THR H H 6.9568 . 1 589 242 242 THR C C 175.9605 . 1 590 242 242 THR CA C 59.9483 . 1 591 242 242 THR CB C 70.7392 . 1 592 242 242 THR N N 103.3075 . 1 593 243 243 ASN H H 8.9794 . 1 594 243 243 ASN C C 173.0113 . 1 595 243 243 ASN CA C 54.3315 . 1 596 243 243 ASN CB C 37.3850 . 1 597 243 243 ASN N N 120.3343 . 1 598 244 244 ALA H H 7.8423 . 1 599 244 244 ALA C C 174.2548 . 1 600 244 244 ALA CA C 49.6659 . 1 601 244 244 ALA CB C 18.7580 . 1 602 244 244 ALA N N 119.7612 . 1 603 250 250 GLY C C 173.6315 . 1 604 250 250 GLY CA C 43.1004 . 1 605 251 251 ALA H H 7.6483 . 1 606 251 251 ALA C C 178.4578 . 1 607 251 251 ALA CA C 50.4715 . 1 608 251 251 ALA CB C 18.0633 . 1 609 251 251 ALA N N 124.5003 . 1 610 252 252 VAL H H 11.7496 . 1 611 252 252 VAL C C 176.2239 . 1 612 252 252 VAL CA C 64.6789 . 1 613 252 252 VAL CB C 30.7702 . 1 614 252 252 VAL N N 135.3972 . 1 615 253 253 LEU C C 177.5599 . 1 616 253 253 LEU CA C 53.3726 . 1 617 254 254 ARG H H 7.2178 . 1 618 254 254 ARG C C 177.2461 . 1 619 254 254 ARG CA C 58.4791 . 1 620 254 254 ARG CB C 29.0992 . 1 621 254 254 ARG N N 118.8713 . 1 622 255 255 ALA H H 7.5952 . 1 623 255 255 ALA C C 176.5198 . 1 624 255 255 ALA CA C 53.6791 . 1 625 255 255 ALA CB C 18.7273 . 1 626 255 255 ALA N N 129.6568 . 1 627 256 256 THR H H 8.4544 . 1 628 256 256 THR C C 172.8299 . 1 629 256 256 THR CA C 62.0230 . 1 630 256 256 THR CB C 68.5293 . 1 631 256 256 THR N N 122.9163 . 1 632 257 257 SER H H 8.8752 . 1 633 257 257 SER CA C 55.9173 . 1 634 257 257 SER CB C 65.0120 . 1 635 257 257 SER N N 122.0130 . 1 636 299 299 PRO C C 178.8157 . 1 637 299 299 PRO CA C 65.8024 . 1 638 299 299 PRO CB C 31.4812 . 1 639 300 300 ASP H H 8.8823 . 1 640 300 300 ASP C C 178.8227 . 1 641 300 300 ASP CA C 56.7704 . 1 642 300 300 ASP CB C 39.5748 . 1 643 300 300 ASP N N 115.8129 . 1 644 301 301 LEU H H 7.3294 . 1 645 301 301 LEU C C 178.5776 . 1 646 301 301 LEU CA C 56.2284 . 1 647 301 301 LEU CB C 41.0814 . 1 648 301 301 LEU N N 121.5169 . 1 649 302 302 ARG H H 7.8232 . 1 650 302 302 ARG C C 177.9010 . 1 651 302 302 ARG CA C 60.6464 . 1 652 302 302 ARG CB C 28.9330 . 1 653 302 302 ARG N N 119.9970 . 1 654 303 303 THR H H 7.8398 . 1 655 303 303 THR C C 176.9656 . 1 656 303 303 THR CA C 66.0762 . 1 657 303 303 THR CB C 68.1723 . 1 658 303 303 THR N N 113.8330 . 1 659 304 304 THR H H 7.5274 . 1 660 304 304 THR CA C 67.1855 . 1 661 304 304 THR CB C 67.8587 . 1 662 304 304 THR N N 119.9065 . 1 663 305 305 LEU H H 8.2724 . 1 664 305 305 LEU C C 178.7266 . 1 665 305 305 LEU CA C 57.6943 . 1 666 305 305 LEU CB C 40.5074 . 1 667 305 305 LEU N N 120.6463 . 1 668 306 306 GLU H H 8.2411 . 1 669 306 306 GLU C C 178.6758 . 1 670 306 306 GLU CA C 59.9825 . 1 671 306 306 GLU CB C 28.7826 . 1 672 306 306 GLU N N 120.3597 . 1 673 307 307 TYR H H 8.0007 . 1 674 307 307 TYR C C 178.7192 . 1 675 307 307 TYR CA C 60.8450 . 1 676 307 307 TYR CB C 37.0112 . 1 677 307 307 TYR N N 119.9283 . 1 678 308 308 LEU H H 8.5370 . 1 679 308 308 LEU C C 178.8799 . 1 680 308 308 LEU CA C 58.0484 . 1 681 308 308 LEU CB C 40.7935 . 1 682 308 308 LEU N N 120.8421 . 1 683 309 309 GLY H H 8.9329 . 1 684 309 309 GLY C C 176.2575 . 1 685 309 309 GLY CA C 47.0803 . 1 686 309 309 GLY N N 107.3556 . 1 687 310 310 ARG H H 7.9906 . 1 688 310 310 ARG C C 179.6035 . 1 689 310 310 ARG CA C 59.6222 . 1 690 310 310 ARG CB C 29.0803 . 1 691 310 310 ARG N N 123.2844 . 1 692 311 311 GLU H H 8.0950 . 1 693 311 311 GLU CA C 58.2849 . 1 694 311 311 GLU N N 121.0278 . 1 695 337 337 ARG C C 179.6665 . 1 696 337 337 ARG CA C 59.3155 . 1 697 338 338 VAL H H 7.8665 . 1 698 338 338 VAL C C 177.1178 . 1 699 338 338 VAL CA C 65.8210 . 1 700 338 338 VAL CB C 30.5458 . 1 701 338 338 VAL N N 120.9879 . 1 702 339 339 ALA H H 8.8340 . 1 703 339 339 ALA C C 180.2540 . 1 704 339 339 ALA CA C 54.9557 . 1 705 339 339 ALA CB C 17.4621 . 1 706 339 339 ALA N N 121.6429 . 1 707 340 340 LEU H H 7.7930 . 1 708 340 340 LEU C C 179.2000 . 1 709 340 340 LEU CA C 57.3480 . 1 710 340 340 LEU CB C 41.2388 . 1 711 340 340 LEU N N 118.1117 . 1 712 341 341 ALA H H 7.4481 . 1 713 341 341 ALA C C 180.3995 . 1 714 341 341 ALA CA C 54.1263 . 1 715 341 341 ALA CB C 18.4023 . 1 716 341 341 ALA N N 120.9543 . 1 717 342 342 ALA H H 8.4258 . 1 718 342 342 ALA C C 177.8984 . 1 719 342 342 ALA CA C 53.4670 . 1 720 342 342 ALA CB C 17.2683 . 1 721 342 342 ALA N N 118.2437 . 1 722 343 343 ALA H H 7.4138 . 1 723 343 343 ALA C C 178.1298 . 1 724 343 343 ALA CA C 53.4171 . 1 725 343 343 ALA CB C 17.6936 . 1 726 343 343 ALA N N 118.1775 . 1 727 344 344 HIS H H 7.5030 . 1 728 344 344 HIS CA C 55.3504 . 1 729 344 344 HIS CB C 29.6352 . 1 730 344 344 HIS N N 115.1575 . 1 731 348 348 PRO C C 177.8818 . 1 732 348 348 PRO CA C 64.7838 . 1 733 348 348 PRO CB C 29.9850 . 1 734 349 349 HIS H H 8.0604 . 1 735 349 349 HIS C C 178.3758 . 1 736 349 349 HIS CA C 60.0955 . 1 737 349 349 HIS CB C 30.4768 . 1 738 349 349 HIS N N 114.1991 . 1 739 350 350 ASP H H 7.5316 . 1 740 350 350 ASP C C 177.8551 . 1 741 350 350 ASP CA C 56.3730 . 1 742 350 350 ASP CB C 40.7449 . 1 743 350 350 ASP N N 119.0148 . 1 744 351 351 THR H H 8.0336 . 1 745 351 351 THR C C 176.3394 . 1 746 351 351 THR CA C 65.4643 . 1 747 351 351 THR CB C 69.0391 . 1 748 351 351 THR N N 114.6326 . 1 749 352 352 LEU H H 8.1303 . 1 750 352 352 LEU C C 176.2330 . 1 751 352 352 LEU CA C 56.2285 . 1 752 352 352 LEU CB C 39.6303 . 1 753 352 352 LEU N N 115.6484 . 1 754 353 353 SER H H 7.1928 . 1 755 353 353 SER C C 173.3065 . 1 756 353 353 SER CA C 57.5400 . 1 757 353 353 SER CB C 63.3192 . 1 758 353 353 SER N N 109.5616 . 1 759 354 354 ASP H H 6.8884 . 1 760 354 354 ASP C C 177.2722 . 1 761 354 354 ASP CA C 51.8670 . 1 762 354 354 ASP CB C 42.1322 . 1 763 354 354 ASP N N 123.5546 . 1 764 355 355 PRO C C 179.4738 . 1 765 355 355 PRO CA C 64.7064 . 1 766 355 355 PRO CB C 31.3504 . 1 767 356 356 ALA H H 8.7022 . 1 768 356 356 ALA C C 179.9582 . 1 769 356 356 ALA CA C 53.8692 . 1 770 356 356 ALA CB C 17.6629 . 1 771 356 356 ALA N N 120.8021 . 1 772 357 357 LEU H H 7.6567 . 1 773 357 357 LEU C C 177.4381 . 1 774 357 357 LEU CA C 55.6668 . 1 775 357 357 LEU CB C 41.4799 . 1 776 357 357 LEU N N 117.7842 . 1 777 358 358 ASP H H 7.5280 . 1 778 358 358 ASP C C 175.8989 . 1 779 358 358 ASP CA C 54.3673 . 1 780 358 358 ASP CB C 39.4384 . 1 781 358 358 ASP N N 114.8102 . 1 782 359 359 LEU H H 8.4082 . 1 783 359 359 LEU C C 180.8489 . 1 784 359 359 LEU CA C 57.5565 . 1 785 359 359 LEU CB C 41.3370 . 1 786 359 359 LEU N N 120.3637 . 1 787 360 360 LEU H H 8.8691 . 1 788 360 360 LEU C C 178.6412 . 1 789 360 360 LEU CA C 58.7636 . 1 790 360 360 LEU CB C 41.4986 . 1 791 360 360 LEU N N 119.8779 . 1 792 361 361 GLY H H 7.9794 . 1 793 361 361 GLY C C 177.9501 . 1 794 361 361 GLY CA C 46.7980 . 1 795 361 361 GLY N N 109.0415 . 1 796 362 362 LEU H H 7.8946 . 1 797 362 362 LEU C C 175.1267 . 1 798 362 362 LEU CA C 57.8510 . 1 799 362 362 LEU CB C 41.7130 . 1 800 362 362 LEU N N 123.5534 . 1 801 363 363 MET H H 6.0159 . 1 802 363 363 MET C C 175.2277 . 1 803 363 363 MET CA C 51.6634 . 1 804 363 363 MET CB C 32.7726 . 1 805 363 363 MET N N 108.5720 . 1 806 364 364 ARG H H 8.1002 . 1 807 364 364 ARG C C 175.9739 . 1 808 364 364 ARG CA C 56.7921 . 1 809 364 364 ARG CB C 27.4921 . 1 810 364 364 ARG N N 119.3632 . 1 811 365 365 ALA H H 8.2493 . 1 812 365 365 ALA C C 176.6710 . 1 813 365 365 ALA CA C 50.9813 . 1 814 365 365 ALA CB C 22.2202 . 1 815 365 365 ALA N N 121.2686 . 1 816 366 366 GLY H H 9.2657 . 1 817 366 366 GLY C C 175.2301 . 1 818 366 366 GLY CA C 45.5164 . 1 819 366 366 GLY N N 106.6574 . 1 820 367 367 GLY H H 8.2027 . 1 821 367 367 GLY C C 170.8662 . 1 822 367 367 GLY CA C 44.7246 . 1 823 367 367 GLY N N 109.7773 . 1 824 368 368 LEU H H 8.6950 . 1 825 368 368 LEU C C 174.5150 . 1 826 368 368 LEU CA C 53.5247 . 1 827 368 368 LEU CB C 46.3857 . 1 828 368 368 LEU N N 122.8318 . 1 829 369 369 ILE H H 9.3516 . 1 830 369 369 ILE C C 174.3619 . 1 831 369 369 ILE CA C 59.8441 . 1 832 369 369 ILE CB C 39.7270 . 1 833 369 369 ILE N N 124.7365 . 1 834 370 370 LEU H H 9.0112 . 1 835 370 370 LEU C C 175.1588 . 1 836 370 370 LEU CA C 53.6936 . 1 837 370 370 LEU CB C 43.1482 . 1 838 370 370 LEU N N 125.4950 . 1 839 371 371 ARG H H 8.4982 . 1 840 371 371 ARG C C 172.9122 . 1 841 371 371 ARG CA C 55.4215 . 1 842 371 371 ARG CB C 32.6411 . 1 843 371 371 ARG N N 126.1357 . 1 844 372 372 PHE H H 8.3711 . 1 845 372 372 PHE C C 176.3048 . 1 846 372 372 PHE CA C 56.9206 . 1 847 372 372 PHE CB C 43.3847 . 1 848 372 372 PHE N N 119.2635 . 1 849 373 373 GLU H H 10.3687 . 1 850 373 373 GLU C C 176.6415 . 1 851 373 373 GLU CA C 56.8667 . 1 852 373 373 GLU CB C 27.4802 . 1 853 373 373 GLU N N 121.0521 . 1 854 374 374 GLY H H 8.7872 . 1 855 374 374 GLY C C 174.1781 . 1 856 374 374 GLY CA C 45.5288 . 1 857 374 374 GLY N N 104.9941 . 1 858 375 375 ARG H H 8.2765 . 1 859 375 375 ARG C C 174.0640 . 1 860 375 375 ARG CA C 54.2683 . 1 861 375 375 ARG CB C 32.4431 . 1 862 375 375 ARG N N 119.8086 . 1 863 376 376 TRP H H 8.2667 . 1 864 376 376 TRP C C 175.8712 . 1 865 376 376 TRP CA C 53.0803 . 1 866 376 376 TRP CB C 33.3835 . 1 867 376 376 TRP N N 118.3033 . 1 868 377 377 GLN H H 9.4255 . 1 869 377 377 GLN C C 174.5390 . 1 870 377 377 GLN CA C 54.6458 . 1 871 377 377 GLN CB C 32.8568 . 1 872 377 377 GLN N N 118.6841 . 1 873 378 378 THR H H 8.9069 . 1 874 378 378 THR C C 173.9862 . 1 875 378 378 THR CA C 59.4940 . 1 876 378 378 THR CB C 71.6968 . 1 877 378 378 THR N N 111.7640 . 1 878 379 379 LEU H H 8.9769 . 1 879 379 379 LEU C C 176.8622 . 1 880 379 379 LEU CA C 54.3063 . 1 881 379 379 LEU CB C 45.7883 . 1 882 379 379 LEU N N 120.4938 . 1 883 380 380 GLY H H 8.7475 . 1 884 380 380 GLY C C 174.1687 . 1 885 380 380 GLY CA C 45.3371 . 1 886 380 380 GLY N N 108.2113 . 1 887 381 381 GLU H H 8.9312 . 1 888 381 381 GLU C C 174.7878 . 1 889 381 381 GLU CA C 55.7481 . 1 890 381 381 GLU CB C 29.1167 . 1 891 381 381 GLU N N 125.4669 . 1 892 382 382 VAL H H 7.9437 . 1 893 382 382 VAL C C 173.3620 . 1 894 382 382 VAL CA C 57.6390 . 1 895 382 382 VAL CB C 32.8866 . 1 896 382 382 VAL N N 117.6834 . 1 897 386 386 PRO C C 180.1656 . 1 898 386 386 PRO CA C 65.5898 . 1 899 386 386 PRO CB C 29.9282 . 1 900 387 387 ALA H H 7.4201 . 1 901 387 387 ALA C C 179.2519 . 1 902 387 387 ALA CA C 53.8507 . 1 903 387 387 ALA CB C 18.6869 . 1 904 387 387 ALA N N 120.3736 . 1 905 388 388 VAL H H 7.7837 . 1 906 388 388 VAL CA C 67.0057 . 1 907 388 388 VAL CB C 29.8654 . 1 908 388 388 VAL N N 121.1026 . 1 909 389 389 ASP C C 179.6938 . 1 910 390 390 ALA H H 7.6682 . 1 911 390 390 ALA C C 179.5638 . 1 912 390 390 ALA CA C 54.8044 . 1 913 390 390 ALA CB C 17.3755 . 1 914 390 390 ALA N N 122.5522 . 1 915 391 391 LEU H H 8.6019 . 1 916 391 391 LEU C C 178.9872 . 1 917 391 391 LEU CA C 57.9823 . 1 918 391 391 LEU CB C 41.1722 . 1 919 391 391 LEU N N 124.2892 . 1 920 392 392 LEU H H 8.3477 . 1 921 392 392 LEU C C 178.2769 . 1 922 392 392 LEU CA C 57.4705 . 1 923 392 392 LEU CB C 39.8860 . 1 924 392 392 LEU N N 119.6218 . 1 925 393 393 ALA H H 7.5956 . 1 926 393 393 ALA C C 180.5497 . 1 927 393 393 ALA CA C 54.0903 . 1 928 393 393 ALA CB C 17.0328 . 1 929 393 393 ALA N N 119.9842 . 1 930 394 394 TRP H H 7.6818 . 1 931 394 394 TRP C C 179.7744 . 1 932 394 394 TRP CA C 60.7602 . 1 933 394 394 TRP CB C 25.9490 . 1 934 394 394 TRP N N 120.4265 . 1 935 395 395 LEU H H 8.5404 . 1 936 395 395 LEU C C 176.6707 . 1 937 395 395 LEU CA C 57.0592 . 1 938 395 395 LEU CB C 40.2275 . 1 939 395 395 LEU N N 125.9506 . 1 940 396 396 GLU H H 7.1172 . 1 941 396 396 GLU C C 177.7516 . 1 942 396 396 GLU CA C 57.4681 . 1 943 396 396 GLU CB C 28.7941 . 1 944 396 396 GLU N N 110.9748 . 1 945 397 397 THR H H 7.3133 . 1 946 397 397 THR C C 175.2408 . 1 947 397 397 THR CA C 61.5770 . 1 948 397 397 THR CB C 69.9198 . 1 949 397 397 THR N N 108.9002 . 1 950 398 398 GLN H H 7.7481 . 1 951 398 398 GLN C C 174.6868 . 1 952 398 398 GLN CA C 52.2623 . 1 953 398 398 GLN CB C 26.2935 . 1 954 398 398 GLN N N 123.4792 . 1 955 401 401 ALA C C 175.4695 . 1 956 401 401 ALA CA C 51.0019 . 1 957 401 401 ALA CB C 19.2880 . 1 958 402 402 LEU H H 7.4749 . 1 959 402 402 LEU C C 176.4373 . 1 960 402 402 LEU CA C 55.1511 . 1 961 402 402 LEU CB C 44.4376 . 1 962 402 402 LEU N N 120.2408 . 1 963 403 403 VAL H H 9.2644 . 1 964 403 403 VAL C C 173.3480 . 1 965 403 403 VAL CA C 61.0726 . 1 966 403 403 VAL CB C 34.6856 . 1 967 403 403 VAL N N 129.0880 . 1 968 404 404 GLN H H 8.6730 . 1 969 404 404 GLN C C 173.9303 . 1 970 404 404 GLN CA C 52.8996 . 1 971 404 404 GLN CB C 29.6769 . 1 972 404 404 GLN N N 123.2313 . 1 973 405 405 THR H H 9.2602 . 1 974 405 405 THR C C 171.9237 . 1 975 405 405 THR CA C 61.2962 . 1 976 405 405 THR CB C 67.8447 . 1 977 405 405 THR N N 115.9686 . 1 978 406 406 ASP H H 8.8155 . 1 979 406 406 ASP C C 173.3616 . 1 980 406 406 ASP CA C 53.1403 . 1 981 406 406 ASP CB C 40.2056 . 1 982 406 406 ASP N N 128.3918 . 1 983 407 407 ALA H H 8.4686 . 1 984 407 407 ALA C C 177.7403 . 1 985 407 407 ALA CA C 50.8113 . 1 986 407 407 ALA CB C 16.8107 . 1 987 407 407 ALA N N 124.5392 . 1 988 408 408 LEU H H 9.7649 . 1 989 408 408 LEU C C 178.4278 . 1 990 408 408 LEU CA C 58.2362 . 1 991 408 408 LEU CB C 40.8793 . 1 992 408 408 LEU N N 127.4795 . 1 993 409 409 GLY H H 8.9997 . 1 994 409 409 GLY C C 174.8444 . 1 995 409 409 GLY CA C 45.1112 . 1 996 409 409 GLY N N 104.2376 . 1 997 410 410 GLN H H 7.7650 . 1 998 410 410 GLN C C 176.9832 . 1 999 410 410 GLN CA C 56.4719 . 1 1000 410 410 GLN CB C 27.8178 . 1 1001 410 410 GLN N N 116.4656 . 1 1002 411 411 LEU H H 7.3231 . 1 1003 411 411 LEU C C 176.5592 . 1 1004 411 411 LEU CA C 55.7967 . 1 1005 411 411 LEU CB C 43.2286 . 1 1006 411 411 LEU N N 119.8987 . 1 1007 412 412 TRP H H 8.5425 . 1 1008 412 412 TRP CA C 54.3133 . 1 1009 412 412 TRP CB C 26.8273 . 1 1010 412 412 TRP N N 121.1600 . 1 1011 413 413 PRO C C 179.2011 . 1 1012 413 413 PRO CA C 65.1768 . 1 1013 413 413 PRO CB C 30.7026 . 1 1014 414 414 ALA H H 6.7037 . 1 1015 414 414 ALA C C 177.6136 . 1 1016 414 414 ALA CA C 52.6289 . 1 1017 414 414 ALA CB C 16.3742 . 1 1018 414 414 ALA N N 118.1186 . 1 1019 415 415 GLY H H 7.1513 . 1 1020 415 415 GLY C C 175.8880 . 1 1021 415 415 GLY CA C 44.8865 . 1 1022 415 415 GLY N N 105.9190 . 1 1023 416 416 ALA H H 7.4978 . 1 1024 416 416 ALA C C 179.2369 . 1 1025 416 416 ALA CA C 55.0993 . 1 1026 416 416 ALA CB C 17.4643 . 1 1027 416 416 ALA N N 124.9513 . 1 1028 417 417 ASP H H 7.7389 . 1 1029 417 417 ASP C C 176.5510 . 1 1030 417 417 ASP CA C 54.9939 . 1 1031 417 417 ASP CB C 39.9268 . 1 1032 417 417 ASP N N 114.7294 . 1 1033 418 418 LEU H H 7.4803 . 1 1034 418 418 LEU C C 176.3394 . 1 1035 418 418 LEU CA C 53.7559 . 1 1036 418 418 LEU CB C 40.7153 . 1 1037 418 418 LEU N N 116.9299 . 1 1038 419 419 ALA H H 7.2307 . 1 1039 419 419 ALA C C 173.8447 . 1 1040 419 419 ALA CA C 54.4274 . 1 1041 419 419 ALA CB C 16.8602 . 1 1042 419 419 ALA N N 123.0570 . 1 1043 420 420 PRO C C 177.4798 . 1 1044 420 420 PRO CA C 66.1473 . 1 1045 420 420 PRO CB C 30.4510 . 1 1046 421 421 SER H H 7.6035 . 1 1047 421 421 SER C C 173.9512 . 1 1048 421 421 SER CA C 58.0747 . 1 1049 421 421 SER CB C 64.7274 . 1 1050 421 421 SER N N 106.8277 . 1 1051 422 422 ALA H H 8.1698 . 1 1052 422 422 ALA C C 174.2736 . 1 1053 422 422 ALA CA C 50.6176 . 1 1054 422 422 ALA CB C 18.3475 . 1 1055 422 422 ALA N N 126.4766 . 1 1056 423 423 ALA H H 7.8376 . 1 1057 423 423 ALA C C 176.0517 . 1 1058 423 423 ALA CA C 53.7785 . 1 1059 423 423 ALA CB C 18.6631 . 1 1060 423 423 ALA N N 123.5903 . 1 1061 424 424 GLY H H 8.4027 . 1 1062 424 424 GLY C C 173.2032 . 1 1063 424 424 GLY CA C 43.4058 . 1 1064 424 424 GLY N N 103.0259 . 1 1065 425 425 LEU H H 9.0293 . 1 1066 425 425 LEU C C 173.5058 . 1 1067 425 425 LEU CA C 54.7778 . 1 1068 425 425 LEU CB C 45.8310 . 1 1069 425 425 LEU N N 123.7841 . 1 1070 426 426 LEU H H 9.0933 . 1 1071 426 426 LEU C C 173.8997 . 1 1072 426 426 LEU CA C 54.5605 . 1 1073 426 426 LEU CB C 41.7895 . 1 1074 426 426 LEU N N 131.3290 . 1 1075 427 427 ALA H H 9.7461 . 1 1076 427 427 ALA C C 176.3131 . 1 1077 427 427 ALA CA C 49.5658 . 1 1078 427 427 ALA CB C 25.1146 . 1 1079 427 427 ALA N N 129.4025 . 1 1080 428 428 ILE H H 8.9331 . 1 1081 428 428 ILE C C 174.4153 . 1 1082 428 428 ILE CA C 58.2033 . 1 1083 428 428 ILE CB C 41.5398 . 1 1084 428 428 ILE N N 112.2189 . 1 1085 429 429 SER H H 7.6961 . 1 1086 429 429 SER C C 175.0852 . 1 1087 429 429 SER CA C 55.8210 . 1 1088 429 429 SER CB C 62.1685 . 1 1089 429 429 SER N N 118.2761 . 1 1090 434 434 TRP C C 175.4897 . 1 1091 434 434 TRP CA C 58.3484 . 1 1092 435 435 SER H H 7.8039 . 1 1093 435 435 SER C C 174.8337 . 1 1094 435 435 SER CA C 61.6404 . 1 1095 435 435 SER CB C 62.1454 . 1 1096 435 435 SER N N 116.6697 . 1 1097 436 436 GLU H H 7.6368 . 1 1098 436 436 GLU C C 175.9101 . 1 1099 436 436 GLU CA C 54.1505 . 1 1100 436 436 GLU CB C 30.0760 . 1 1101 436 436 GLU N N 119.4586 . 1 1102 437 437 CYS H H 8.8783 . 1 1103 437 437 CYS C C 170.4326 . 1 1104 437 437 CYS CA C 55.8773 . 1 1105 437 437 CYS CB C 30.0915 . 1 1106 437 437 CYS N N 116.8345 . 1 1107 438 438 LEU H H 8.0060 . 1 1108 438 438 LEU C C 175.4776 . 1 1109 438 438 LEU CA C 54.4130 . 1 1110 438 438 LEU CB C 44.3022 . 1 1111 438 438 LEU N N 118.0444 . 1 1112 439 439 VAL H H 8.5222 . 1 1113 439 439 VAL C C 174.8292 . 1 1114 439 439 VAL CA C 60.3906 . 1 1115 439 439 VAL CB C 33.7685 . 1 1116 439 439 VAL N N 119.7719 . 1 1117 440 440 TRP H H 10.1735 . 1 1118 440 440 TRP C C 175.5666 . 1 1119 440 440 TRP CA C 59.7328 . 1 1120 440 440 TRP N N 128.4842 . 1 1121 441 441 LEU H H 9.0205 . 1 1122 441 441 LEU C C 177.9178 . 1 1123 441 441 LEU CA C 52.9625 . 1 1124 441 441 LEU N N 120.0547 . 1 1125 442 442 ARG H H 9.0801 . 1 1126 442 442 ARG CA C 53.0808 . 1 1127 442 442 ARG CB C 34.3703 . 1 1128 442 442 ARG N N 121.1175 . 1 1129 443 443 PRO C C 175.0607 . 1 1130 443 443 PRO CA C 61.4588 . 1 1131 444 444 GLU H H 7.5252 . 1 1132 444 444 GLU C C 176.1783 . 1 1133 444 444 GLU CA C 56.0163 . 1 1134 444 444 GLU CB C 29.4323 . 1 1135 444 444 GLU N N 118.1263 . 1 1136 445 445 LEU H H 9.1120 . 1 1137 445 445 LEU C C 176.5147 . 1 1138 445 445 LEU CA C 56.2439 . 1 1139 445 445 LEU CB C 42.2656 . 1 1140 445 445 LEU N N 125.9720 . 1 1141 446 446 ARG H H 8.1400 . 1 1142 446 446 ARG C C 174.9319 . 1 1143 446 446 ARG CA C 54.9252 . 1 1144 446 446 ARG CB C 30.9278 . 1 1145 446 446 ARG N N 125.0725 . 1 1146 447 447 LEU H H 8.0436 . 1 1147 447 447 LEU C C 175.8278 . 1 1148 447 447 LEU CA C 53.8462 . 1 1149 447 447 LEU CB C 44.6806 . 1 1150 447 447 LEU N N 124.0462 . 1 1151 448 448 GLU H H 8.3318 . 1 1152 448 448 GLU C C 176.1328 . 1 1153 448 448 GLU CA C 54.2924 . 1 1154 448 448 GLU CB C 31.0675 . 1 1155 448 448 GLU N N 121.3201 . 1 1156 449 449 VAL H H 8.0041 . 1 1157 449 449 VAL C C 178.1073 . 1 1158 449 449 VAL CA C 60.8937 . 1 1159 449 449 VAL CB C 30.9278 . 1 1160 449 449 VAL N N 116.8247 . 1 1161 450 450 ALA H H 8.1486 . 1 1162 450 450 ALA CA C 53.8115 . 1 1163 450 450 ALA CB C 19.1092 . 1 1164 450 450 ALA N N 126.6243 . 1 1165 467 467 HIS C C 179.7855 . 1 1166 467 467 HIS CA C 59.4251 . 1 1167 468 468 SER H H 9.6577 . 1 1168 468 468 SER C C 175.7034 . 1 1169 468 468 SER CA C 64.1197 . 1 1170 468 468 SER CB C 62.3819 . 1 1171 468 468 SER N N 120.9811 . 1 1172 469 469 PHE H H 9.2761 . 1 1173 469 469 PHE C C 177.3293 . 1 1174 469 469 PHE CA C 61.3407 . 1 1175 469 469 PHE CB C 38.8400 . 1 1176 469 469 PHE N N 125.3691 . 1 1177 470 470 ASP H H 8.5906 . 1 1178 470 470 ASP C C 179.8283 . 1 1179 470 470 ASP CA C 57.4718 . 1 1180 470 470 ASP CB C 39.7887 . 1 1181 470 470 ASP N N 118.9072 . 1 1182 471 471 THR H H 8.1822 . 1 1183 471 471 THR C C 175.8136 . 1 1184 471 471 THR CA C 66.6319 . 1 1185 471 471 THR CB C 68.0401 . 1 1186 471 471 THR N N 117.4199 . 1 1187 472 472 TYR H H 8.4446 . 1 1188 472 472 TYR C C 176.2697 . 1 1189 472 472 TYR CA C 62.3948 . 1 1190 472 472 TYR CB C 37.4260 . 1 1191 472 472 TYR N N 124.3662 . 1 1192 473 473 LEU H H 8.2872 . 1 1193 473 473 LEU C C 180.5383 . 1 1194 473 473 LEU CA C 57.2718 . 1 1195 473 473 LEU CB C 40.5360 . 1 1196 473 473 LEU N N 117.3297 . 1 1197 474 474 GLU H H 7.8109 . 1 1198 474 474 GLU C C 179.8540 . 1 1199 474 474 GLU CA C 58.9261 . 1 1200 474 474 GLU CB C 28.7885 . 1 1201 474 474 GLU N N 119.6667 . 1 1202 475 475 GLU H H 7.9945 . 1 1203 475 475 GLU C C 178.6651 . 1 1204 475 475 GLU CA C 58.3110 . 1 1205 475 475 GLU CB C 28.6421 . 1 1206 475 475 GLU N N 119.2792 . 1 1207 476 476 LYS H H 7.2971 . 1 1208 476 476 LYS C C 176.3595 . 1 1209 476 476 LYS CA C 52.7869 . 1 1210 476 476 LYS CB C 29.2972 . 1 1211 476 476 LYS N N 116.0465 . 1 1212 477 477 ARG H H 7.1159 . 1 1213 477 477 ARG CA C 58.0815 . 1 1214 477 477 ARG CB C 28.6459 . 1 1215 477 477 ARG N N 124.4077 . 1 1216 493 493 ASP C C 180.1632 . 1 1217 493 493 ASP CA C 57.1933 . 1 1218 494 494 LEU H H 9.4985 . 1 1219 494 494 LEU C C 178.6495 . 1 1220 494 494 LEU CA C 57.6836 . 1 1221 494 494 LEU CB C 40.4081 . 1 1222 494 494 LEU N N 123.7276 . 1 1223 495 495 ARG H H 8.5662 . 1 1224 495 495 ARG C C 179.4122 . 1 1225 495 495 ARG CA C 60.5489 . 1 1226 495 495 ARG CB C 28.1558 . 1 1227 495 495 ARG N N 121.0097 . 1 1228 496 496 ASP H H 8.0094 . 1 1229 496 496 ASP C C 179.3106 . 1 1230 496 496 ASP CA C 57.6990 . 1 1231 496 496 ASP CB C 39.6943 . 1 1232 496 496 ASP N N 122.2660 . 1 1233 497 497 THR H H 8.6014 . 1 1234 497 497 THR C C 177.1605 . 1 1235 497 497 THR CA C 66.3961 . 1 1236 497 497 THR CB C 68.3708 . 1 1237 497 497 THR N N 119.6592 . 1 1238 498 498 LEU H H 8.9607 . 1 1239 498 498 LEU C C 178.3758 . 1 1240 498 498 LEU CA C 57.4436 . 1 1241 498 498 LEU CB C 40.9869 . 1 1242 498 498 LEU N N 120.5951 . 1 1243 499 499 THR H H 8.3872 . 1 1244 499 499 THR C C 176.8958 . 1 1245 499 499 THR CA C 66.5978 . 1 1246 499 499 THR CB C 68.4927 . 1 1247 499 499 THR N N 115.1030 . 1 1248 500 500 GLY H H 7.7311 . 1 1249 500 500 GLY C C 175.5237 . 1 1250 500 500 GLY CA C 46.3670 . 1 1251 500 500 GLY N N 107.2143 . 1 1252 501 501 ALA H H 7.8772 . 1 1253 501 501 ALA C C 179.0158 . 1 1254 501 501 ALA CA C 53.6876 . 1 1255 501 501 ALA CB C 18.5042 . 1 1256 501 501 ALA N N 122.9516 . 1 stop_ save_