data_25756 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Assignment of the Tyrosine Kinase Src Catalytic Domain ; _BMRB_accession_number 25756 _BMRB_flat_file_name bmr25756.str _Entry_type original _Submission_date 2015-08-14 _Accession_date 2015-08-14 _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 Morando Maria Agnese . 2 D'Amelio Nicola . . 3 Lovera Silvia . . 4 Lelli Moreno . . 5 Lopez Blanca . . 6 Campos-Olivas Ramon . . 7 Saladino Giorgio . . 8 Gervasio Francesco Luigi . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 179 "13C chemical shifts" 540 "15N chemical shifts" 179 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-08-05 update BMRB 'update entry citation' 2016-07-01 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 17384 'Backbone Assignment of the Tyrosine Kinase Src Catalytic Domain in Complex with Imatinib.' stop_ _Original_release_date 2016-07-01 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Conformational Selection and Induced Fit Mechanisms in the Binding of an Anticancer Drug to the c-Src Kinase ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27087366 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Morando Maria . . 2 Saladino Giorgio . . 3 D'Amelio Nicola . . 4 Pucheta-Martinez Encarna . . 5 Lovera Silvia . . 6 Lelli Moreno . . 7 Lopez-Mendez Blanca . . 8 Marenchino Marco . . 9 Campos-Olivas Ramon . . 10 Gervasio Francesco Luigi . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 6 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 24439 _Page_last 24439 _Year 2016 _Details . loop_ _Keyword NMR 'Src Kinase' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Src catalytic domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Src catalytic domain' $Src_catalytic_domain stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Src_catalytic_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Src_catalytic_domain _Molecular_mass 32689.6 _Mol_thiol_state 'all free' loop_ _Biological_function kinase stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 286 _Mol_residue_sequence ; GHMQTQGLAKDAWEIPRESL RLEVKLGQGCFGEVWMGTWN GTTRVAIKTLKPGTMSPEAF LQEAQVMKKLRHEKLVQLYA VVSEEPIYIVTEYMSKGSLL DFLKGEMGKYLRLPQLVDMA AQIASGMAYVERMNYVHRDL RAANILVGENLVCKVADFGL ARLIEDNEYTARQGAKFPIK WTAPEAALYGRFTIKSDVWS FGILLTELTTKGRVPYPGMV NREVLDQVERGYRMPCPPEC PESLHDLMCQCWRKDPEERP TFEYLQAFLEDYFTSTEPQY QPGENL ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 248 GLY 2 249 HIS 3 250 MET 4 251 GLN 5 252 THR 6 253 GLN 7 254 GLY 8 255 LEU 9 256 ALA 10 257 LYS 11 258 ASP 12 259 ALA 13 260 TRP 14 261 GLU 15 262 ILE 16 263 PRO 17 264 ARG 18 265 GLU 19 266 SER 20 267 LEU 21 268 ARG 22 269 LEU 23 270 GLU 24 271 VAL 25 272 LYS 26 273 LEU 27 274 GLY 28 275 GLN 29 276 GLY 30 277 CYS 31 278 PHE 32 279 GLY 33 280 GLU 34 281 VAL 35 282 TRP 36 283 MET 37 284 GLY 38 285 THR 39 286 TRP 40 287 ASN 41 288 GLY 42 289 THR 43 290 THR 44 291 ARG 45 292 VAL 46 293 ALA 47 294 ILE 48 295 LYS 49 296 THR 50 297 LEU 51 298 LYS 52 299 PRO 53 300 GLY 54 301 THR 55 302 MET 56 303 SER 57 304 PRO 58 305 GLU 59 306 ALA 60 307 PHE 61 308 LEU 62 309 GLN 63 310 GLU 64 311 ALA 65 312 GLN 66 313 VAL 67 314 MET 68 315 LYS 69 316 LYS 70 317 LEU 71 318 ARG 72 319 HIS 73 320 GLU 74 321 LYS 75 322 LEU 76 323 VAL 77 324 GLN 78 325 LEU 79 326 TYR 80 327 ALA 81 328 VAL 82 329 VAL 83 330 SER 84 331 GLU 85 332 GLU 86 333 PRO 87 334 ILE 88 335 TYR 89 336 ILE 90 337 VAL 91 338 THR 92 339 GLU 93 340 TYR 94 341 MET 95 342 SER 96 343 LYS 97 344 GLY 98 345 SER 99 346 LEU 100 347 LEU 101 348 ASP 102 349 PHE 103 350 LEU 104 351 LYS 105 352 GLY 106 353 GLU 107 354 MET 108 355 GLY 109 356 LYS 110 357 TYR 111 358 LEU 112 359 ARG 113 360 LEU 114 361 PRO 115 362 GLN 116 363 LEU 117 364 VAL 118 365 ASP 119 366 MET 120 367 ALA 121 368 ALA 122 369 GLN 123 370 ILE 124 371 ALA 125 372 SER 126 373 GLY 127 374 MET 128 375 ALA 129 376 TYR 130 377 VAL 131 378 GLU 132 379 ARG 133 380 MET 134 381 ASN 135 382 TYR 136 383 VAL 137 384 HIS 138 385 ARG 139 386 ASP 140 387 LEU 141 388 ARG 142 389 ALA 143 390 ALA 144 391 ASN 145 392 ILE 146 393 LEU 147 394 VAL 148 395 GLY 149 396 GLU 150 397 ASN 151 398 LEU 152 399 VAL 153 400 CYS 154 401 LYS 155 402 VAL 156 403 ALA 157 404 ASP 158 405 PHE 159 406 GLY 160 407 LEU 161 408 ALA 162 409 ARG 163 410 LEU 164 411 ILE 165 412 GLU 166 413 ASP 167 414 ASN 168 415 GLU 169 416 TYR 170 417 THR 171 418 ALA 172 419 ARG 173 420 GLN 174 421 GLY 175 422 ALA 176 423 LYS 177 424 PHE 178 425 PRO 179 426 ILE 180 427 LYS 181 428 TRP 182 429 THR 183 430 ALA 184 431 PRO 185 432 GLU 186 433 ALA 187 434 ALA 188 435 LEU 189 436 TYR 190 437 GLY 191 438 ARG 192 439 PHE 193 440 THR 194 441 ILE 195 442 LYS 196 443 SER 197 444 ASP 198 445 VAL 199 446 TRP 200 447 SER 201 448 PHE 202 449 GLY 203 450 ILE 204 451 LEU 205 452 LEU 206 453 THR 207 454 GLU 208 455 LEU 209 456 THR 210 457 THR 211 458 LYS 212 459 GLY 213 460 ARG 214 461 VAL 215 462 PRO 216 463 TYR 217 464 PRO 218 465 GLY 219 466 MET 220 467 VAL 221 468 ASN 222 469 ARG 223 470 GLU 224 471 VAL 225 472 LEU 226 473 ASP 227 474 GLN 228 475 VAL 229 476 GLU 230 477 ARG 231 478 GLY 232 479 TYR 233 480 ARG 234 481 MET 235 482 PRO 236 483 CYS 237 484 PRO 238 485 PRO 239 486 GLU 240 487 CYS 241 488 PRO 242 489 GLU 243 490 SER 244 491 LEU 245 492 HIS 246 493 ASP 247 494 LEU 248 495 MET 249 496 CYS 250 497 GLN 251 498 CYS 252 499 TRP 253 500 ARG 254 501 LYS 255 502 ASP 256 503 PRO 257 504 GLU 258 505 GLU 259 506 ARG 260 507 PRO 261 508 THR 262 509 PHE 263 510 GLU 264 511 TYR 265 512 LEU 266 513 GLN 267 514 ALA 268 515 PHE 269 516 LEU 270 517 GLU 271 518 ASP 272 519 TYR 273 520 PHE 274 521 THR 275 522 SER 276 523 THR 277 524 GLU 278 525 PRO 279 526 GLN 280 527 TYR 281 528 GLN 282 529 PRO 283 530 GLY 284 531 GLU 285 532 ASN 286 533 LEU 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 $Src_catalytic_domain chicken 9031 Eukaryota Metazoa Gallus Gallus 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 $Src_catalytic_domain 'recombinant technology' . Escherichia coli BL21(DE3) 'modified pET28' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $Src_catalytic_domain 0.4 mM 0.3 0.5 '[U-99% 13C; U-99% 15N; U>70% 2H]' 'magnesium chloride' 1 mM . . 'natural abundance' 'sodium chloride' 500 mM . . 'natural abundance' 'sodium azide' 0.03 % . . 'natural abundance' TCEP 1 mM . . 'natural abundance' 'sodium phosphate' 20 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'aid in the analysis of NMR spectra for assignment' stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task 'spectra processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 1000 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.541 . M pH 6.4 . pH pressure 1 . atm temperature 293 . 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 _Reference_correction_type DSS C 13 'methyl protons' ppm 0 na indirect . . . 0.251449530 deuterium water H 1 protons ppm 4.76 internal direct . . . 1.0 temperature DSS N 15 'methyl protons' ppm 0 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 $NMRView $xwinnmr stop_ loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HNCACB' '2D 1H-15N HSQC' '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 'Src 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 1 251 4 GLN H H 8.53 0.03 1 2 251 4 GLN C C 176.3 0.2 1 3 251 4 GLN CA C 56.5 0.2 1 4 251 4 GLN CB C 28.8 0.2 1 5 251 4 GLN N N 122.4 0.2 1 6 252 5 THR H H 8.22 0.03 1 7 252 5 THR C C 174.6 0.2 1 8 252 5 THR CA C 62.2 0.2 1 9 252 5 THR CB C 69.6 0.2 1 10 252 5 THR N N 115.7 0.2 1 11 253 6 GLN H H 8.44 0.03 1 12 253 6 GLN C C 176.4 0.2 1 13 253 6 GLN CA C 56.2 0.2 1 14 253 6 GLN CB C 29.3 0.2 1 15 253 6 GLN N N 122.8 0.2 1 16 254 7 GLY H H 8.42 0.03 1 17 254 7 GLY C C 174.0 0.2 1 18 254 7 GLY CA C 45.2 0.2 1 19 254 7 GLY N N 110.3 0.2 1 20 255 8 LEU H H 8.10 0.03 1 21 255 8 LEU C C 177.2 0.2 1 22 255 8 LEU CA C 55.1 0.2 1 23 255 8 LEU CB C 42.5 0.2 1 24 255 8 LEU N N 121.8 0.2 1 25 256 9 ALA H H 8.29 0.03 1 26 256 9 ALA C C 177.7 0.2 1 27 256 9 ALA CA C 52.5 0.2 1 28 256 9 ALA CB C 19.3 0.2 1 29 256 9 ALA N N 125.2 0.2 1 30 257 10 LYS H H 8.27 0.03 1 31 257 10 LYS C C 176.3 0.2 1 32 257 10 LYS CA C 56.4 0.2 1 33 257 10 LYS CB C 32.9 0.2 1 34 257 10 LYS N N 120.9 0.2 1 35 258 11 ASP H H 8.42 0.03 1 36 258 11 ASP CA C 53.8 0.2 1 37 258 11 ASP CB C 42.0 0.2 1 38 258 11 ASP N N 122.2 0.2 1 39 259 12 ALA C C 177.8 0.2 1 40 260 13 TRP H H 8.43 0.03 1 41 260 13 TRP CA C 58.2 0.2 1 42 260 13 TRP CB C 29.1 0.2 1 43 260 13 TRP N N 118.3 0.2 1 44 261 14 GLU C C 177.7 0.2 1 45 261 14 GLU CA C 56.9 0.2 1 46 262 15 ILE H H 8.16 0.03 1 47 262 15 ILE CA C 58.9 0.2 1 48 262 15 ILE CB C 39.8 0.2 1 49 262 15 ILE N N 120.4 0.2 1 50 263 16 PRO C C 179.6 0.2 1 51 263 16 PRO CA C 62.0 0.2 1 52 264 17 ARG H H 9.40 0.03 1 53 264 17 ARG C C 178.0 0.2 1 54 264 17 ARG CA C 60.0 0.2 1 55 264 17 ARG CB C 29.6 0.2 1 56 264 17 ARG N N 129.4 0.2 1 57 265 18 GLU H H 9.36 0.03 1 58 265 18 GLU C C 176.9 0.2 1 59 265 18 GLU CA C 58.5 0.2 1 60 265 18 GLU CB C 27.8 0.2 1 61 265 18 GLU N N 114.9 0.2 1 62 266 19 SER H H 7.87 0.03 1 63 266 19 SER C C 173.2 0.2 1 64 266 19 SER CA C 59.9 0.2 1 65 266 19 SER CB C 63.8 0.2 1 66 266 19 SER N N 115.3 0.2 1 67 267 20 LEU H H 7.88 0.03 1 68 267 20 LEU C C 175.9 0.2 1 69 267 20 LEU CA C 53.3 0.2 1 70 267 20 LEU CB C 45.4 0.2 1 71 267 20 LEU N N 123.4 0.2 1 72 268 21 ARG H H 8.52 0.03 1 73 268 21 ARG C C 174.8 0.2 1 74 268 21 ARG CA C 54.8 0.2 1 75 268 21 ARG CB C 32.3 0.2 1 76 268 21 ARG N N 121.3 0.2 1 77 269 22 LEU H H 8.77 0.03 1 78 269 22 LEU C C 176.3 0.2 1 79 269 22 LEU CA C 57.3 0.2 1 80 269 22 LEU CB C 39.4 0.2 1 81 269 22 LEU N N 129.5 0.2 1 82 270 23 GLU H H 8.73 0.03 1 83 270 23 GLU C C 176.3 0.2 1 84 270 23 GLU CA C 58.9 0.2 1 85 270 23 GLU CB C 31.5 0.2 1 86 270 23 GLU N N 122.8 0.2 1 87 271 24 VAL H H 8.14 0.03 1 88 271 24 VAL C C 173.3 0.2 1 89 271 24 VAL CA C 61.4 0.2 1 90 271 24 VAL CB C 36.5 0.2 1 91 271 24 VAL N N 117.9 0.2 1 92 272 25 LYS H H 8.55 0.03 1 93 272 25 LYS C C 175.8 0.2 1 94 272 25 LYS CA C 57.5 0.2 1 95 272 25 LYS CB C 30.5 0.2 1 96 272 25 LYS N N 131.8 0.2 1 97 273 26 LEU H H 9.27 0.03 1 98 273 26 LEU C C 177.8 0.2 1 99 273 26 LEU CA C 55.4 0.2 1 100 273 26 LEU CB C 42.5 0.2 1 101 273 26 LEU N N 129.7 0.2 1 102 274 27 GLY H H 7.69 0.03 1 103 274 27 GLY C C 171.0 0.2 1 104 274 27 GLY CA C 45.3 0.2 1 105 274 27 GLY N N 105.8 0.2 1 106 275 28 GLN H H 8.37 0.03 1 107 275 28 GLN C C 174.4 0.2 1 108 275 28 GLN CA C 55.3 0.2 1 109 275 28 GLN CB C 31.3 0.2 1 110 275 28 GLN N N 116.8 0.2 1 111 276 29 GLY H H 8.38 0.03 1 112 276 29 GLY CA C 44.4 0.2 1 113 276 29 GLY N N 111.1 0.2 1 114 277 30 CYS C C 176.7 0.2 1 115 277 30 CYS CA C 60.3 0.2 1 116 277 30 CYS CB C 32.1 0.2 1 117 278 31 PHE H H 8.39 0.03 1 118 278 31 PHE C C 174.7 0.2 1 119 278 31 PHE CA C 51.0 0.2 1 120 278 31 PHE CB C 40.5 0.2 1 121 278 31 PHE N N 118.8 0.2 1 122 279 32 GLY H H 7.05 0.03 1 123 279 32 GLY C C 172.5 0.2 1 124 279 32 GLY CA C 45.4 0.2 1 125 279 32 GLY N N 106.3 0.2 1 126 280 33 GLU H H 8.31 0.03 1 127 280 33 GLU C C 175.2 0.2 1 128 280 33 GLU CA C 55.4 0.2 1 129 280 33 GLU CB C 33.8 0.2 1 130 280 33 GLU N N 118.7 0.2 1 131 281 34 VAL H H 8.25 0.03 1 132 281 34 VAL C C 174.9 0.2 1 133 281 34 VAL CA C 62.0 0.2 1 134 281 34 VAL CB C 33.1 0.2 1 135 281 34 VAL N N 119.9 0.2 1 136 282 35 TRP H H 9.80 0.03 1 137 282 35 TRP C C 175.5 0.2 1 138 282 35 TRP CA C 56.5 0.2 1 139 282 35 TRP CB C 31.8 0.2 1 140 282 35 TRP N N 127.3 0.2 1 141 283 36 MET H H 9.79 0.03 1 142 283 36 MET C C 176.5 0.2 1 143 283 36 MET CA C 54.9 0.2 1 144 283 36 MET CB C 34.5 0.2 1 145 283 36 MET N N 121.2 0.2 1 146 284 37 GLY H H 9.01 0.03 1 147 284 37 GLY C C 172.2 0.2 1 148 284 37 GLY CA C 46.0 0.2 1 149 284 37 GLY N N 115.4 0.2 1 150 285 38 THR H H 8.63 0.03 1 151 285 38 THR C C 173.4 0.2 1 152 285 38 THR CA C 61.2 0.2 1 153 285 38 THR CB C 71.7 0.2 1 154 285 38 THR N N 114.8 0.2 1 155 286 39 TRP H H 9.75 0.03 1 156 286 39 TRP C C 175.4 0.2 1 157 286 39 TRP CA C 53.5 0.2 1 158 286 39 TRP CB C 32.3 0.2 1 159 286 39 TRP N N 129.4 0.2 1 160 287 40 ASN H H 9.63 0.03 1 161 287 40 ASN C C 175.5 0.2 1 162 287 40 ASN CA C 54.3 0.2 1 163 287 40 ASN CB C 35.9 0.2 1 164 287 40 ASN N N 124.8 0.2 1 165 288 41 GLY H H 8.99 0.03 1 166 288 41 GLY C C 175.2 0.2 1 167 288 41 GLY CA C 46.1 0.2 1 168 288 41 GLY N N 106.0 0.2 1 169 289 42 THR H H 7.54 0.03 1 170 289 42 THR C C 174.6 0.2 1 171 289 42 THR CA C 62.4 0.2 1 172 289 42 THR CB C 71.1 0.2 1 173 289 42 THR N N 109.2 0.2 1 174 290 43 THR H H 7.92 0.03 1 175 290 43 THR C C 173.3 0.2 1 176 290 43 THR CA C 63.0 0.2 1 177 290 43 THR CB C 70.4 0.2 1 178 290 43 THR N N 120.4 0.2 1 179 291 44 ARG H H 9.23 0.03 1 180 291 44 ARG C C 175.3 0.2 1 181 291 44 ARG CA C 57.0 0.2 1 182 291 44 ARG CB C 29.3 0.2 1 183 291 44 ARG N N 131.6 0.2 1 184 292 45 VAL H H 8.55 0.03 1 185 292 45 VAL C C 174.0 0.2 1 186 292 45 VAL CA C 60.2 0.2 1 187 292 45 VAL CB C 35.9 0.2 1 188 292 45 VAL N N 116.8 0.2 1 189 293 46 ALA H H 8.69 0.03 1 190 293 46 ALA C C 176.4 0.2 1 191 293 46 ALA CA C 50.7 0.2 1 192 293 46 ALA CB C 20.4 0.2 1 193 293 46 ALA N N 122.8 0.2 1 194 294 47 ILE H H 9.47 0.03 1 195 294 47 ILE C C 174.6 0.2 1 196 294 47 ILE CA C 60.8 0.2 1 197 294 47 ILE CB C 41.4 0.2 1 198 294 47 ILE N N 121.4 0.2 1 199 295 48 LYS H H 9.31 0.03 1 200 295 48 LYS CA C 55.6 0.2 1 201 295 48 LYS CB C 33.7 0.2 1 202 295 48 LYS N N 128.5 0.2 1 203 299 52 PRO C C 177.5 0.2 1 204 299 52 PRO CA C 64.3 0.2 1 205 299 52 PRO CB C 31.4 0.2 1 206 300 53 GLY H H 9.08 0.03 1 207 300 53 GLY CA C 45.3 0.2 1 208 300 53 GLY N N 111.9 0.2 1 209 301 54 THR H H 7.99 0.03 1 210 301 54 THR N N 112.4 0.2 1 211 304 57 PRO C C 178.0 0.2 1 212 304 57 PRO CA C 66.2 0.2 1 213 305 58 GLU H H 8.57 0.03 1 214 305 58 GLU C C 179.0 0.2 1 215 305 58 GLU CA C 60.1 0.2 1 216 305 58 GLU CB C 28.5 0.2 1 217 305 58 GLU N N 115.3 0.2 1 218 306 59 ALA H H 7.78 0.03 1 219 306 59 ALA CA C 54.8 0.2 1 220 306 59 ALA CB C 18.1 0.2 1 221 306 59 ALA N N 122.7 0.2 1 222 315 68 LYS C C 177.6 0.2 1 223 316 69 LYS H H 7.11 0.03 1 224 316 69 LYS CA C 56.1 0.2 1 225 316 69 LYS CB C 32.4 0.2 1 226 316 69 LYS N N 115.6 0.2 1 227 319 72 HIS C C 174.9 0.2 1 228 319 72 HIS CA C 57.6 0.2 1 229 319 72 HIS CB C 33.1 0.2 1 230 320 73 GLU H H 7.74 0.03 1 231 320 73 GLU C C 176.6 0.2 1 232 320 73 GLU CA C 59.3 0.2 1 233 320 73 GLU CB C 29.4 0.2 1 234 320 73 GLU N N 124.8 0.2 1 235 321 74 LYS H H 10.46 0.03 1 236 321 74 LYS C C 174.6 0.2 1 237 321 74 LYS CA C 53.3 0.2 1 238 321 74 LYS CB C 29.9 0.2 1 239 321 74 LYS N N 118.5 0.2 1 240 322 75 LEU H H 7.92 0.03 1 241 322 75 LEU CA C 53.7 0.2 1 242 322 75 LEU CB C 43.2 0.2 1 243 322 75 LEU N N 120.8 0.2 1 244 324 77 GLN C C 175.6 0.2 1 245 324 77 GLN CA C 54.8 0.2 1 246 325 78 LEU H H 8.52 0.03 1 247 325 78 LEU C C 175.8 0.2 1 248 325 78 LEU CA C 56.0 0.2 1 249 325 78 LEU CB C 42.5 0.2 1 250 325 78 LEU N N 125.3 0.2 1 251 326 79 TYR H H 9.31 0.03 1 252 326 79 TYR CA C 55.1 0.2 1 253 326 79 TYR CB C 39.0 0.2 1 254 326 79 TYR N N 123.9 0.2 1 255 328 81 VAL C C 173.7 0.2 1 256 328 81 VAL CA C 60.1 0.2 1 257 328 81 VAL CB C 36.4 0.2 1 258 329 82 VAL H H 8.53 0.03 1 259 329 82 VAL N N 121.9 0.2 1 260 330 83 SER C C 173.5 0.2 1 261 330 83 SER CA C 60.1 0.2 1 262 330 83 SER CB C 62.3 0.2 1 263 331 84 GLU H H 6.72 0.03 1 264 331 84 GLU C C 175.1 0.2 1 265 331 84 GLU CA C 54.2 0.2 1 266 331 84 GLU CB C 31.4 0.2 1 267 331 84 GLU N N 119.8 0.2 1 268 332 85 GLU H H 8.57 0.03 1 269 332 85 GLU N N 122.5 0.2 1 270 335 88 TYR C C 176.1 0.2 1 271 335 88 TYR CA C 52.6 0.2 1 272 335 88 TYR CB C 42.5 0.2 1 273 336 89 ILE H H 9.16 0.03 1 274 336 89 ILE C C 174.7 0.2 1 275 336 89 ILE CA C 62.5 0.2 1 276 336 89 ILE N N 120.0 0.2 1 277 337 90 VAL H H 8.64 0.03 1 278 337 90 VAL C C 175.6 0.2 1 279 337 90 VAL CA C 61.6 0.2 1 280 337 90 VAL N N 128.7 0.2 1 281 338 91 THR H H 9.59 0.03 1 282 338 91 THR CA C 59.8 0.2 1 283 338 91 THR CB C 73.4 0.2 1 284 338 91 THR N N 119.5 0.2 1 285 342 95 SER C C 176.0 0.2 1 286 343 96 LYS H H 8.40 0.03 1 287 343 96 LYS C C 177.0 0.2 1 288 343 96 LYS CA C 55.2 0.2 1 289 343 96 LYS CB C 31.1 0.2 1 290 343 96 LYS N N 120.0 0.2 1 291 344 97 GLY H H 7.16 0.03 1 292 344 97 GLY C C 172.5 0.2 1 293 344 97 GLY CA C 45.0 0.2 1 294 344 97 GLY N N 106.0 0.2 1 295 345 98 SER H H 8.80 0.03 1 296 345 98 SER C C 176.3 0.2 1 297 345 98 SER CA C 57.8 0.2 1 298 345 98 SER CB C 64.6 0.2 1 299 345 98 SER N N 115.0 0.2 1 300 346 99 LEU H H 9.45 0.03 1 301 346 99 LEU C C 177.4 0.2 1 302 346 99 LEU CA C 57.4 0.2 1 303 346 99 LEU CB C 40.5 0.2 1 304 346 99 LEU N N 126.0 0.2 1 305 347 100 LEU H H 6.78 0.03 1 306 347 100 LEU C C 176.8 0.2 1 307 347 100 LEU CA C 58.1 0.2 1 308 347 100 LEU CB C 40.9 0.2 1 309 347 100 LEU N N 117.2 0.2 1 310 348 101 ASP H H 7.18 0.03 1 311 348 101 ASP C C 179.0 0.2 1 312 348 101 ASP CA C 57.0 0.2 1 313 348 101 ASP CB C 39.7 0.2 1 314 348 101 ASP N N 115.8 0.2 1 315 349 102 PHE H H 8.56 0.03 1 316 349 102 PHE C C 178.3 0.2 1 317 349 102 PHE CA C 60.8 0.2 1 318 349 102 PHE CB C 39.1 0.2 1 319 349 102 PHE N N 123.3 0.2 1 320 350 103 LEU H H 8.51 0.03 1 321 350 103 LEU C C 176.8 0.2 1 322 350 103 LEU CA C 57.5 0.2 1 323 350 103 LEU CB C 42.0 0.2 1 324 350 103 LEU N N 116.8 0.2 1 325 351 104 LYS H H 7.09 0.03 1 326 351 104 LYS C C 177.8 0.2 1 327 351 104 LYS CA C 57.3 0.2 1 328 351 104 LYS CB C 33.2 0.2 1 329 351 104 LYS N N 112.1 0.2 1 330 352 105 GLY H H 7.22 0.03 1 331 352 105 GLY C C 175.1 0.2 1 332 352 105 GLY CA C 44.5 0.2 1 333 352 105 GLY N N 107.6 0.2 1 334 353 106 GLU H H 8.64 0.03 1 335 353 106 GLU C C 178.4 0.2 1 336 353 106 GLU CA C 59.5 0.2 1 337 353 106 GLU CB C 29.4 0.2 1 338 353 106 GLU N N 118.8 0.2 1 339 354 107 MET H H 8.53 0.03 1 340 354 107 MET C C 179.2 0.2 1 341 354 107 MET CA C 56.7 0.2 1 342 354 107 MET CB C 30.8 0.2 1 343 354 107 MET N N 114.5 0.2 1 344 355 108 GLY H H 7.38 0.03 1 345 355 108 GLY C C 176.4 0.2 1 346 355 108 GLY CA C 46.8 0.2 1 347 355 108 GLY N N 107.3 0.2 1 348 356 109 LYS H H 7.40 0.03 1 349 356 109 LYS C C 177.5 0.2 1 350 356 109 LYS CA C 58.2 0.2 1 351 356 109 LYS CB C 31.4 0.2 1 352 356 109 LYS N N 118.5 0.2 1 353 357 110 TYR H H 7.31 0.03 1 354 357 110 TYR C C 176.3 0.2 1 355 357 110 TYR CA C 58.0 0.2 1 356 357 110 TYR CB C 38.1 0.2 1 357 357 110 TYR N N 116.0 0.2 1 358 358 111 LEU H H 7.19 0.03 1 359 358 111 LEU C C 176.9 0.2 1 360 358 111 LEU CA C 55.8 0.2 1 361 358 111 LEU CB C 42.8 0.2 1 362 358 111 LEU N N 119.3 0.2 1 363 359 112 ARG H H 8.61 0.03 1 364 359 112 ARG CA C 53.2 0.2 1 365 359 112 ARG CB C 32.7 0.2 1 366 359 112 ARG N N 121.5 0.2 1 367 361 114 PRO C C 179.7 0.2 1 368 361 114 PRO CA C 66.8 0.2 1 369 361 114 PRO CB C 29.9 0.2 1 370 362 115 GLN H H 7.25 0.03 1 371 362 115 GLN C C 178.0 0.2 1 372 362 115 GLN CA C 59.6 0.2 1 373 362 115 GLN CB C 29.0 0.2 1 374 362 115 GLN N N 115.1 0.2 1 375 363 116 LEU H H 7.80 0.03 1 376 363 116 LEU C C 179.2 0.2 1 377 363 116 LEU CA C 58.3 0.2 1 378 363 116 LEU CB C 41.5 0.2 1 379 363 116 LEU N N 119.5 0.2 1 380 364 117 VAL H H 8.90 0.03 1 381 364 117 VAL C C 177.0 0.2 1 382 364 117 VAL CA C 67.0 0.2 1 383 364 117 VAL CB C 31.4 0.2 1 384 364 117 VAL N N 118.9 0.2 1 385 365 118 ASP H H 7.58 0.03 1 386 365 118 ASP C C 179.1 0.2 1 387 365 118 ASP CA C 58.0 0.2 1 388 365 118 ASP CB C 41.5 0.2 1 389 365 118 ASP N N 120.8 0.2 1 390 366 119 MET H H 8.22 0.03 1 391 366 119 MET CA C 60.9 0.2 1 392 366 119 MET N N 118.7 0.2 1 393 367 120 ALA C C 179.0 0.2 1 394 367 120 ALA CA C 55.6 0.2 1 395 368 121 ALA H H 9.07 0.03 1 396 368 121 ALA C C 180.7 0.2 1 397 368 121 ALA CA C 56.7 0.2 1 398 368 121 ALA CB C 17.2 0.2 1 399 368 121 ALA N N 121.8 0.2 1 400 369 122 GLN H H 8.34 0.03 1 401 369 122 GLN CA C 60.3 0.2 1 402 369 122 GLN N N 119.9 0.2 1 403 370 123 ILE C C 178.2 0.2 1 404 370 123 ILE CA C 61.5 0.2 1 405 371 124 ALA H H 8.25 0.03 1 406 371 124 ALA C C 178.0 0.2 1 407 371 124 ALA N N 119.6 0.2 1 408 372 125 SER H H 8.01 0.03 1 409 372 125 SER C C 178.4 0.2 1 410 372 125 SER CA C 60.6 0.2 1 411 372 125 SER N N 113.0 0.2 1 412 373 126 GLY H H 7.84 0.03 1 413 373 126 GLY CA C 47.5 0.2 1 414 373 126 GLY N N 108.2 0.2 1 415 374 127 MET C C 178.3 0.2 1 416 374 127 MET CA C 53.8 0.2 1 417 374 127 MET CB C 35.8 0.2 1 418 375 128 ALA H H 8.86 0.03 1 419 375 128 ALA C C 180.6 0.2 1 420 375 128 ALA CA C 55.0 0.2 1 421 375 128 ALA N N 125.0 0.2 1 422 376 129 TYR H H 7.26 0.03 1 423 376 129 TYR CA C 61.6 0.2 1 424 376 129 TYR CB C 36.6 0.2 1 425 376 129 TYR N N 122.7 0.2 1 426 377 130 VAL C C 177.4 0.2 1 427 377 130 VAL CA C 67.8 0.2 1 428 377 130 VAL CB C 30.9 0.2 1 429 378 131 GLU H H 8.83 0.03 1 430 378 131 GLU CA C 59.4 0.2 1 431 378 131 GLU CB C 31.3 0.2 1 432 378 131 GLU N N 118.8 0.2 1 433 379 132 ARG C C 177.6 0.2 1 434 380 133 MET H H 7.71 0.03 1 435 380 133 MET C C 175.9 0.2 1 436 380 133 MET CA C 54.0 0.2 1 437 380 133 MET CB C 30.3 0.2 1 438 380 133 MET N N 116.9 0.2 1 439 381 134 ASN H H 7.96 0.03 1 440 381 134 ASN CA C 55.1 0.2 1 441 381 134 ASN CB C 37.0 0.2 1 442 381 134 ASN N N 113.5 0.2 1 443 387 140 LEU C C 173.6 0.2 1 444 387 140 LEU CA C 56.4 0.2 1 445 387 140 LEU CB C 41.1 0.2 1 446 388 141 ARG H H 6.65 0.03 1 447 388 141 ARG C C 176.5 0.2 1 448 388 141 ARG CA C 54.6 0.2 1 449 388 141 ARG CB C 30.2 0.2 1 450 388 141 ARG N N 115.9 0.2 1 451 389 142 ALA H H 10.36 0.03 1 452 389 142 ALA C C 178.8 0.2 1 453 389 142 ALA CA C 56.5 0.2 1 454 389 142 ALA N N 127.2 0.2 1 455 390 143 ALA H H 9.61 0.03 1 456 390 143 ALA CA C 54.5 0.2 1 457 390 143 ALA N N 118.9 0.2 1 458 391 144 ASN C C 176.9 0.2 1 459 391 144 ASN CA C 58.7 0.2 1 460 392 145 ILE H H 7.34 0.03 1 461 392 145 ILE C C 175.4 0.2 1 462 392 145 ILE CA C 56.8 0.2 1 463 392 145 ILE N N 118.3 0.2 1 464 393 146 LEU H H 8.82 0.03 1 465 393 146 LEU C C 174.6 0.2 1 466 393 146 LEU CA C 53.0 0.2 1 467 393 146 LEU N N 126.8 0.2 1 468 394 147 VAL H H 8.52 0.03 1 469 394 147 VAL C C 175.3 0.2 1 470 394 147 VAL CA C 60.6 0.2 1 471 394 147 VAL CB C 32.8 0.2 1 472 394 147 VAL N N 120.4 0.2 1 473 395 148 GLY H H 8.82 0.03 1 474 395 148 GLY C C 173.4 0.2 1 475 395 148 GLY CA C 43.1 0.2 1 476 395 148 GLY N N 115.1 0.2 1 477 396 149 GLU H H 8.28 0.03 1 478 396 149 GLU C C 177.9 0.2 1 479 396 149 GLU CA C 56.8 0.2 1 480 396 149 GLU CB C 29.1 0.2 1 481 396 149 GLU N N 118.8 0.2 1 482 397 150 ASN H H 9.17 0.03 1 483 397 150 ASN C C 174.2 0.2 1 484 397 150 ASN CA C 54.7 0.2 1 485 397 150 ASN CB C 37.1 0.2 1 486 397 150 ASN N N 117.2 0.2 1 487 398 151 LEU H H 8.46 0.03 1 488 398 151 LEU C C 175.6 0.2 1 489 398 151 LEU CA C 56.0 0.2 1 490 398 151 LEU CB C 37.9 0.2 1 491 398 151 LEU N N 111.7 0.2 1 492 399 152 VAL H H 6.72 0.03 1 493 399 152 VAL C C 175.2 0.2 1 494 399 152 VAL CA C 62.6 0.2 1 495 399 152 VAL CB C 32.1 0.2 1 496 399 152 VAL N N 118.8 0.2 1 497 400 153 CYS H H 8.12 0.03 1 498 400 153 CYS C C 172.7 0.2 1 499 400 153 CYS CA C 57.6 0.2 1 500 400 153 CYS CB C 31.0 0.2 1 501 400 153 CYS N N 123.6 0.2 1 502 401 154 LYS H H 8.54 0.03 1 503 401 154 LYS C C 175.3 0.2 1 504 401 154 LYS CA C 54.2 0.2 1 505 401 154 LYS CB C 38.4 0.2 1 506 401 154 LYS N N 114.1 0.2 1 507 402 155 VAL H H 8.82 0.03 1 508 402 155 VAL CB C 31.0 0.2 1 509 402 155 VAL N N 122.7 0.2 1 510 429 182 THR C C 177.9 0.2 1 511 430 183 ALA H H 8.94 0.03 1 512 430 183 ALA N N 120.9 0.2 1 513 431 184 PRO C C 176.9 0.2 1 514 431 184 PRO CA C 65.4 0.2 1 515 431 184 PRO CB C 30.3 0.2 1 516 432 185 GLU H H 9.04 0.03 1 517 432 185 GLU C C 177.7 0.2 1 518 432 185 GLU CA C 58.7 0.2 1 519 432 185 GLU CB C 25.5 0.2 1 520 432 185 GLU N N 114.8 0.2 1 521 433 186 ALA H H 6.63 0.03 1 522 433 186 ALA C C 177.0 0.2 1 523 433 186 ALA CA C 54.1 0.2 1 524 433 186 ALA N N 126.6 0.2 1 525 434 187 ALA H H 7.57 0.03 1 526 434 187 ALA CA C 54.7 0.2 1 527 434 187 ALA N N 120.1 0.2 1 528 435 188 LEU C C 178.8 0.2 1 529 436 189 TYR H H 6.22 0.03 1 530 436 189 TYR C C 176.6 0.2 1 531 436 189 TYR N N 112.3 0.2 1 532 437 190 GLY H H 7.34 0.03 1 533 437 190 GLY C C 174.1 0.2 1 534 437 190 GLY CA C 46.3 0.2 1 535 437 190 GLY N N 108.8 0.2 1 536 438 191 ARG H H 7.19 0.03 1 537 438 191 ARG C C 174.3 0.2 1 538 438 191 ARG CA C 55.0 0.2 1 539 438 191 ARG CB C 28.3 0.2 1 540 438 191 ARG N N 121.8 0.2 1 541 439 192 PHE H H 8.20 0.03 1 542 439 192 PHE CA C 57.6 0.2 1 543 439 192 PHE CB C 39.0 0.2 1 544 439 192 PHE N N 125.3 0.2 1 545 442 195 LYS C C 182.2 0.2 1 546 442 195 LYS CA C 55.8 0.2 1 547 443 196 SER H H 8.61 0.03 1 548 443 196 SER CA C 61.9 0.2 1 549 443 196 SER N N 120.4 0.2 1 550 444 197 ASP C C 179.4 0.2 1 551 444 197 ASP CA C 58.7 0.2 1 552 444 197 ASP CB C 39.5 0.2 1 553 445 198 VAL H H 8.27 0.03 1 554 445 198 VAL C C 178.0 0.2 1 555 445 198 VAL CA C 67.4 0.2 1 556 445 198 VAL CB C 30.7 0.2 1 557 445 198 VAL N N 123.3 0.2 1 558 446 199 TRP H H 7.45 0.03 1 559 446 199 TRP C C 179.7 0.2 1 560 446 199 TRP CA C 61.6 0.2 1 561 446 199 TRP CB C 27.3 0.2 1 562 446 199 TRP N N 121.3 0.2 1 563 447 200 SER H H 8.64 0.03 1 564 447 200 SER C C 176.6 0.2 1 565 447 200 SER CA C 62.1 0.2 1 566 447 200 SER CB C 63.8 0.2 1 567 447 200 SER N N 116.2 0.2 1 568 448 201 PHE H H 9.41 0.03 1 569 448 201 PHE C C 176.9 0.2 1 570 448 201 PHE CA C 62.0 0.2 1 571 448 201 PHE CB C 38.6 0.2 1 572 448 201 PHE N N 123.7 0.2 1 573 449 202 GLY H H 8.53 0.03 1 574 449 202 GLY C C 176.0 0.2 1 575 449 202 GLY CA C 47.4 0.2 1 576 449 202 GLY N N 107.2 0.2 1 577 450 203 ILE H H 8.10 0.03 1 578 450 203 ILE C C 180.5 0.2 1 579 450 203 ILE CA C 63.0 0.2 1 580 450 203 ILE N N 119.7 0.2 1 581 451 204 LEU H H 9.54 0.03 1 582 451 204 LEU C C 179.8 0.2 1 583 451 204 LEU CA C 59.0 0.2 1 584 451 204 LEU N N 129.3 0.2 1 585 452 205 LEU H H 8.51 0.03 1 586 452 205 LEU C C 180.6 0.2 1 587 452 205 LEU CA C 58.6 0.2 1 588 452 205 LEU N N 119.1 0.2 1 589 453 206 THR H H 7.97 0.03 1 590 453 206 THR C C 176.2 0.2 1 591 453 206 THR CA C 66.2 0.2 1 592 453 206 THR CB C 68.3 0.2 1 593 453 206 THR N N 114.1 0.2 1 594 454 207 GLU H H 7.75 0.03 1 595 454 207 GLU C C 178.7 0.2 1 596 454 207 GLU CA C 61.1 0.2 1 597 454 207 GLU CB C 31.0 0.2 1 598 454 207 GLU N N 125.0 0.2 1 599 455 208 LEU H H 8.37 0.03 1 600 455 208 LEU C C 177.9 0.2 1 601 455 208 LEU CA C 58.8 0.2 1 602 455 208 LEU CB C 42.2 0.2 1 603 455 208 LEU N N 116.5 0.2 1 604 456 209 THR H H 7.56 0.03 1 605 456 209 THR C C 175.4 0.2 1 606 456 209 THR CA C 64.5 0.2 1 607 456 209 THR CB C 70.2 0.2 1 608 456 209 THR N N 103.4 0.2 1 609 457 210 THR H H 7.48 0.03 1 610 457 210 THR C C 174.3 0.2 1 611 457 210 THR CA C 61.7 0.2 1 612 457 210 THR CB C 69.2 0.2 1 613 457 210 THR N N 109.3 0.2 1 614 458 211 LYS H H 7.95 0.03 1 615 458 211 LYS C C 175.2 0.2 1 616 458 211 LYS CA C 58.4 0.2 1 617 458 211 LYS CB C 28.8 0.2 1 618 458 211 LYS N N 118.3 0.2 1 619 459 212 GLY H H 9.27 0.03 1 620 459 212 GLY C C 173.6 0.2 1 621 459 212 GLY CA C 45.3 0.2 1 622 459 212 GLY N N 103.2 0.2 1 623 460 213 ARG H H 7.49 0.03 1 624 460 213 ARG C C 176.5 0.2 1 625 460 213 ARG CA C 56.6 0.2 1 626 460 213 ARG CB C 29.5 0.2 1 627 460 213 ARG N N 122.7 0.2 1 628 461 214 VAL H H 8.20 0.03 1 629 461 214 VAL CA C 60.7 0.2 1 630 461 214 VAL CB C 32.3 0.2 1 631 461 214 VAL N N 127.6 0.2 1 632 462 215 PRO C C 174.4 0.2 1 633 462 215 PRO CA C 62.3 0.2 1 634 462 215 PRO CB C 32.4 0.2 1 635 463 216 TYR H H 7.49 0.03 1 636 463 216 TYR CA C 57.4 0.2 1 637 463 216 TYR CB C 36.6 0.2 1 638 463 216 TYR N N 114.8 0.2 1 639 464 217 PRO C C 178.8 0.2 1 640 464 217 PRO CA C 64.1 0.2 1 641 464 217 PRO CB C 30.2 0.2 1 642 465 218 GLY H H 8.84 0.03 1 643 465 218 GLY C C 173.8 0.2 1 644 465 218 GLY CA C 45.0 0.2 1 645 465 218 GLY N N 111.4 0.2 1 646 466 219 MET H H 7.97 0.03 1 647 466 219 MET C C 176.6 0.2 1 648 466 219 MET CA C 55.2 0.2 1 649 466 219 MET CB C 34.9 0.2 1 650 466 219 MET N N 119.8 0.2 1 651 467 220 VAL H H 8.59 0.03 1 652 467 220 VAL CA C 60.6 0.2 1 653 467 220 VAL CB C 32.5 0.2 1 654 467 220 VAL N N 118.3 0.2 1 655 468 221 ASN C C 177.5 0.2 1 656 468 221 ASN CA C 57.1 0.2 1 657 469 222 ARG H H 8.55 0.03 1 658 469 222 ARG CA C 58.7 0.2 1 659 469 222 ARG CB C 29.1 0.2 1 660 469 222 ARG N N 116.1 0.2 1 661 470 223 GLU C C 177.4 0.2 1 662 470 223 GLU CA C 57.3 0.2 1 663 470 223 GLU CB C 31.5 0.2 1 664 471 224 VAL H H 7.28 0.03 1 665 471 224 VAL CA C 66.8 0.2 1 666 471 224 VAL CB C 31.0 0.2 1 667 471 224 VAL N N 118.8 0.2 1 668 472 225 LEU C C 178.6 0.2 1 669 472 225 LEU CA C 58.2 0.2 1 670 472 225 LEU CB C 40.9 0.2 1 671 473 226 ASP H H 7.95 0.03 1 672 473 226 ASP C C 178.8 0.2 1 673 473 226 ASP CA C 57.5 0.2 1 674 473 226 ASP CB C 40.7 0.2 1 675 473 226 ASP N N 117.6 0.2 1 676 474 227 GLN H H 7.80 0.03 1 677 474 227 GLN C C 179.6 0.2 1 678 474 227 GLN CA C 59.1 0.2 1 679 474 227 GLN CB C 26.1 0.2 1 680 474 227 GLN N N 116.1 0.2 1 681 475 228 VAL H H 9.07 0.03 1 682 475 228 VAL C C 181.7 0.2 1 683 475 228 VAL CA C 66.2 0.2 1 684 475 228 VAL N N 120.7 0.2 1 685 476 229 GLU H H 8.60 0.03 1 686 476 229 GLU C C 177.8 0.2 1 687 476 229 GLU CA C 59.8 0.2 1 688 476 229 GLU N N 124.3 0.2 1 689 477 230 ARG H H 7.27 0.03 1 690 477 230 ARG C C 176.6 0.2 1 691 477 230 ARG CA C 57.0 0.2 1 692 477 230 ARG CB C 30.2 0.2 1 693 477 230 ARG N N 116.2 0.2 1 694 478 231 GLY H H 7.71 0.03 1 695 478 231 GLY C C 174.2 0.2 1 696 478 231 GLY CA C 45.0 0.2 1 697 478 231 GLY N N 106.1 0.2 1 698 479 232 TYR H H 8.34 0.03 1 699 479 232 TYR C C 175.8 0.2 1 700 479 232 TYR CA C 60.8 0.2 1 701 479 232 TYR CB C 38.6 0.2 1 702 479 232 TYR N N 124.2 0.2 1 703 480 233 ARG H H 6.94 0.03 1 704 480 233 ARG C C 174.3 0.2 1 705 480 233 ARG CA C 52.3 0.2 1 706 480 233 ARG CB C 32.7 0.2 1 707 480 233 ARG N N 126.0 0.2 1 708 481 234 MET H H 7.72 0.03 1 709 481 234 MET CA C 55.7 0.2 1 710 481 234 MET CB C 33.4 0.2 1 711 481 234 MET N N 119.5 0.2 1 712 485 238 PRO C C 177.8 0.2 1 713 485 238 PRO CA C 64.4 0.2 1 714 485 238 PRO CB C 31.5 0.2 1 715 486 239 GLU H H 8.70 0.03 1 716 486 239 GLU C C 174.3 0.2 1 717 486 239 GLU CA C 58.6 0.2 1 718 486 239 GLU CB C 28.1 0.2 1 719 486 239 GLU N N 115.5 0.2 1 720 487 240 CYS H H 7.91 0.03 1 721 487 240 CYS CA C 56.0 0.2 1 722 487 240 CYS CB C 28.7 0.2 1 723 487 240 CYS N N 122.6 0.2 1 724 490 243 SER C C 177.7 0.2 1 725 490 243 SER CA C 60.6 0.2 1 726 490 243 SER CB C 62.0 0.2 1 727 491 244 LEU H H 7.47 0.03 1 728 491 244 LEU C C 178.4 0.2 1 729 491 244 LEU CA C 56.6 0.2 1 730 491 244 LEU CB C 41.7 0.2 1 731 491 244 LEU N N 123.5 0.2 1 732 492 245 HIS H H 7.57 0.03 1 733 492 245 HIS C C 177.6 0.2 1 734 492 245 HIS CA C 59.5 0.2 1 735 492 245 HIS CB C 30.6 0.2 1 736 492 245 HIS N N 121.6 0.2 1 737 493 246 ASP H H 9.20 0.03 1 738 493 246 ASP C C 178.3 0.2 1 739 493 246 ASP CA C 57.4 0.2 1 740 493 246 ASP CB C 40.1 0.2 1 741 493 246 ASP N N 121.1 0.2 1 742 494 247 LEU H H 6.75 0.03 1 743 494 247 LEU C C 179.3 0.2 1 744 494 247 LEU CA C 56.5 0.2 1 745 494 247 LEU CB C 41.2 0.2 1 746 494 247 LEU N N 120.0 0.2 1 747 495 248 MET H H 7.46 0.03 1 748 495 248 MET C C 175.9 0.2 1 749 495 248 MET CA C 60.0 0.2 1 750 495 248 MET CB C 29.9 0.2 1 751 495 248 MET N N 118.6 0.2 1 752 496 249 CYS H H 7.53 0.03 1 753 496 249 CYS C C 178.4 0.2 1 754 496 249 CYS CA C 63.6 0.2 1 755 496 249 CYS CB C 26.0 0.2 1 756 496 249 CYS N N 111.9 0.2 1 757 497 250 GLN H H 7.54 0.03 1 758 497 250 GLN C C 178.3 0.2 1 759 497 250 GLN CA C 59.6 0.2 1 760 497 250 GLN CB C 27.6 0.2 1 761 497 250 GLN N N 121.2 0.2 1 762 498 251 CYS H H 6.99 0.03 1 763 498 251 CYS C C 173.7 0.2 1 764 498 251 CYS CA C 62.9 0.2 1 765 498 251 CYS CB C 25.2 0.2 1 766 498 251 CYS N N 116.1 0.2 1 767 499 252 TRP H H 6.52 0.03 1 768 499 252 TRP C C 176.2 0.2 1 769 499 252 TRP CA C 52.0 0.2 1 770 499 252 TRP CB C 26.5 0.2 1 771 499 252 TRP N N 111.8 0.2 1 772 500 253 ARG H H 6.84 0.03 1 773 500 253 ARG C C 177.7 0.2 1 774 500 253 ARG CA C 56.9 0.2 1 775 500 253 ARG CB C 29.1 0.2 1 776 500 253 ARG N N 119.2 0.2 1 777 501 254 LYS H H 9.03 0.03 1 778 501 254 LYS CA C 60.6 0.2 1 779 501 254 LYS CB C 32.3 0.2 1 780 501 254 LYS N N 124.5 0.2 1 781 503 256 PRO C C 178.6 0.2 1 782 503 256 PRO CA C 65.0 0.2 1 783 503 256 PRO CB C 32.7 0.2 1 784 504 257 GLU H H 8.22 0.03 1 785 504 257 GLU C C 178.1 0.2 1 786 504 257 GLU CA C 58.1 0.2 1 787 504 257 GLU CB C 28.5 0.2 1 788 504 257 GLU N N 111.7 0.2 1 789 505 258 GLU H H 7.77 0.03 1 790 505 258 GLU C C 177.0 0.2 1 791 505 258 GLU CA C 56.1 0.2 1 792 505 258 GLU CB C 30.2 0.2 1 793 505 258 GLU N N 115.8 0.2 1 794 506 259 ARG H H 7.36 0.03 1 795 506 259 ARG CA C 54.9 0.2 1 796 506 259 ARG CB C 29.3 0.2 1 797 506 259 ARG N N 121.0 0.2 1 798 507 260 PRO C C 173.9 0.2 1 799 507 260 PRO CA C 62.2 0.2 1 800 507 260 PRO CB C 32.6 0.2 1 801 508 261 THR H H 7.37 0.03 1 802 508 261 THR CA C 59.5 0.2 1 803 508 261 THR CB C 70.3 0.2 1 804 508 261 THR N N 104.7 0.2 1 805 509 262 PHE C C 178.7 0.2 1 806 509 262 PHE CA C 63.8 0.2 1 807 510 263 GLU H H 8.42 0.03 1 808 510 263 GLU C C 178.8 0.2 1 809 510 263 GLU CA C 60.3 0.2 1 810 510 263 GLU CB C 29.6 0.2 1 811 510 263 GLU N N 121.0 0.2 1 812 511 264 TYR H H 8.30 0.03 1 813 511 264 TYR C C 177.6 0.2 1 814 511 264 TYR CA C 61.3 0.2 1 815 511 264 TYR CB C 37.2 0.2 1 816 511 264 TYR N N 122.1 0.2 1 817 512 265 LEU H H 8.43 0.03 1 818 512 265 LEU C C 177.9 0.2 1 819 512 265 LEU CA C 58.3 0.2 1 820 512 265 LEU N N 120.7 0.2 1 821 513 266 GLN H H 8.87 0.03 1 822 513 266 GLN C C 177.0 0.2 1 823 513 266 GLN CA C 60.5 0.2 1 824 513 266 GLN CB C 26.8 0.2 1 825 513 266 GLN N N 117.8 0.2 1 826 514 267 ALA H H 7.22 0.03 1 827 514 267 ALA C C 179.6 0.2 1 828 514 267 ALA CA C 55.2 0.2 1 829 514 267 ALA CB C 17.7 0.2 1 830 514 267 ALA N N 120.3 0.2 1 831 515 268 PHE H H 8.61 0.03 1 832 515 268 PHE C C 179.0 0.2 1 833 515 268 PHE CA C 60.4 0.2 1 834 515 268 PHE CB C 38.7 0.2 1 835 515 268 PHE N N 118.7 0.2 1 836 516 269 LEU H H 8.27 0.03 1 837 516 269 LEU C C 179.1 0.2 1 838 516 269 LEU CA C 57.6 0.2 1 839 516 269 LEU N N 118.0 0.2 1 840 517 270 GLU H H 8.62 0.03 1 841 517 270 GLU C C 178.5 0.2 1 842 517 270 GLU CA C 59.8 0.2 1 843 517 270 GLU CB C 29.1 0.2 1 844 517 270 GLU N N 119.9 0.2 1 845 518 271 ASP H H 7.45 0.03 1 846 518 271 ASP C C 177.2 0.2 1 847 518 271 ASP CA C 54.1 0.2 1 848 518 271 ASP CB C 40.6 0.2 1 849 518 271 ASP N N 116.3 0.2 1 850 519 272 TYR H H 7.09 0.03 1 851 519 272 TYR C C 176.8 0.2 1 852 519 272 TYR CA C 63.0 0.2 1 853 519 272 TYR CB C 39.6 0.2 1 854 519 272 TYR N N 122.8 0.2 1 855 520 273 PHE H H 8.70 0.03 1 856 520 273 PHE C C 174.5 0.2 1 857 520 273 PHE CA C 60.5 0.2 1 858 520 273 PHE CB C 37.4 0.2 1 859 520 273 PHE N N 114.5 0.2 1 860 521 274 THR H H 7.69 0.03 1 861 521 274 THR C C 175.5 0.2 1 862 521 274 THR CA C 63.8 0.2 1 863 521 274 THR CB C 68.8 0.2 1 864 521 274 THR N N 112.8 0.2 1 865 522 275 SER H H 8.20 0.03 1 866 522 275 SER CA C 60.0 0.2 1 867 522 275 SER CB C 63.2 0.2 1 868 522 275 SER N N 114.8 0.2 1 869 525 278 PRO C C 177.8 0.2 1 870 525 278 PRO CA C 64.1 0.2 1 871 525 278 PRO CB C 31.5 0.2 1 872 526 279 GLN H H 8.49 0.03 1 873 526 279 GLN C C 175.5 0.2 1 874 526 279 GLN CA C 55.2 0.2 1 875 526 279 GLN CB C 28.3 0.2 1 876 526 279 GLN N N 118.6 0.2 1 877 527 280 TYR H H 7.68 0.03 1 878 527 280 TYR C C 175.0 0.2 1 879 527 280 TYR CA C 59.8 0.2 1 880 527 280 TYR CB C 38.4 0.2 1 881 527 280 TYR N N 122.2 0.2 1 882 528 281 GLN H H 7.79 0.03 1 883 528 281 GLN CA C 52.4 0.2 1 884 528 281 GLN CB C 30.2 0.2 1 885 528 281 GLN N N 127.3 0.2 1 886 529 282 PRO C C 178.6 0.2 1 887 529 282 PRO CA C 60.5 0.2 1 888 529 282 PRO CB C 32.6 0.2 1 889 530 283 GLY H H 9.00 0.03 1 890 530 283 GLY CA C 44.3 0.2 1 891 530 283 GLY N N 113.0 0.2 1 892 532 285 ASN C C 173.7 0.2 1 893 532 285 ASN CA C 54.2 0.2 1 894 532 285 ASN CB C 40.6 0.2 1 895 533 286 LEU H H 7.90 0.03 1 896 533 286 LEU CA C 56.2 0.2 1 897 533 286 LEU CB C 45.1 0.2 1 898 533 286 LEU N N 125.0 0.2 1 stop_ save_