data_17384 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone Assignment of the Tyrosine Kinase Src Catalytic Domain in Complex with Imatinib. ; _BMRB_accession_number 17384 _BMRB_flat_file_name bmr17384.str _Entry_type original _Submission_date 2010-12-28 _Accession_date 2010-12-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone Assignment of the Tyrosine Kinase Src Catalytic Domain in Complex with Imatinib.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Campos-Olivas Ramon . Sr. 2 Marenchino Marco . Sr. 3 Gervasio Francesco L. Sr. stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 215 "13C chemical shifts" 685 "15N chemical shifts" 215 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-09 update BMRB 'update entry citation' 2011-05-04 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Backbone assignment of the tyrosine kinase Src catalytic domain in complex with imatinib.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21523440 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Campos-Olivas Ramon . . 2 Marenchino Marco . . 3 Scapozza Leonardo . . 4 Gervasio Francesco L. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 5 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 221 _Page_last 224 _Year 2011 _Details . loop_ _Keyword 'Src NMR Assignment' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Complex SrcKD with Imatinib' _Enzyme_commission_number 2.7.10.2 loop_ _Mol_system_component_name _Mol_label 'Src Kinase Domain' $SrcKD Imatinib/Gleevec $STI stop_ _System_molecular_weight 33183.2 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details ; Tyrosine Kinase Src Catalytic Domain in Complex with Imatinib. Imatinib/Gleevec is an Abl kinase inhibitor used for the treatment of Chronic Myeologenous Leukemia and some Gastro Intestinal Stroma Tumors. ; save_ ######################## # Monomeric polymers # ######################## save_SrcKD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SrcKD _Molecular_mass . _Mol_thiol_state 'all free' _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 -3 GLY 2 -2 HIS 3 -1 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 2015-09-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1FMK "Crystal Structure Of Human Tyrosine-Protein Kinase C-Src" 98.95 452 98.94 99.29 0.00e+00 PDB 1KSW "Structure Of Human C-Src Tyrosine Kinase (Thr338gly Mutant) In Complex With N6-Benzyl Adp" 98.95 452 98.59 98.94 0.00e+00 PDB 1Y57 "Structure Of Unphosphorylated C-Src In Complex With An Inhibitor" 98.95 452 99.29 99.65 0.00e+00 PDB 1YI6 "C-Term Tail Segment Of Human Tyrosine Kinase (258-533)" 96.50 276 98.55 98.91 0.00e+00 PDB 1YOJ "Crystal Structure Of Src Kinase Domain" 98.95 283 98.23 99.65 0.00e+00 PDB 1YOL "Crystal Structure Of Src Kinase Domain In Complex With Cgp77675" 98.95 283 98.59 99.65 0.00e+00 PDB 1YOM "Crystal Structure Of Src Kinase Domain In Complex With Purvalanol A" 98.95 283 98.23 99.65 0.00e+00 PDB 2BDF "Src Kinase In Complex With Inhibitor Ap23451" 97.55 279 99.28 99.64 0.00e+00 PDB 2BDJ "Src Kinase In Complex With Inhibitor Ap23464" 97.55 279 99.28 99.64 0.00e+00 PDB 2H8H "Src Kinase In Complex With A Quinazoline Inhibitor" 98.95 535 98.94 99.29 0.00e+00 PDB 2HWO "Crystal Structure Of Src Kinase Domain In Complex With Covalent Inhibitor" 100.00 286 99.65 99.65 0.00e+00 PDB 2HWP "Crystal Structure Of Src Kinase Domain In Complex With Covalent Inhibitor Pd168393" 100.00 286 99.65 99.65 0.00e+00 PDB 2OIQ "Crystal Structure Of Chicken C-Src Kinase Domain In Complex With The Cancer Drug Imatinib." 100.00 286 100.00 100.00 0.00e+00 PDB 2PTK "Chicken Src Tyrosine Kinase" 98.95 453 98.94 98.94 0.00e+00 PDB 2QI8 "Crystal Structure Of Drug Resistant Src Kinase Domain" 100.00 286 99.30 99.30 0.00e+00 PDB 2QLQ "Crystal Structure Of Src Kinase Domain With Covalent Inhibitor Rl3" 100.00 286 99.65 99.65 0.00e+00 PDB 2QQ7 "Crystal Structure Of Drug Resistant Src Kinase Domain With Irreversible Inhibitor" 100.00 286 99.30 99.30 0.00e+00 PDB 2SRC "Crystal Structure Of Human Tyrosine-protein Kinase C-src, In Complex With Amp-pnp" 98.95 452 98.94 99.29 0.00e+00 PDB 3D7T "Structural Basis For The Recognition Of C-Src By Its Inactivator Csk" 100.00 286 100.00 100.00 0.00e+00 PDB 3D7U "Structural Basis For The Recognition Of C-src By Its Inactivator Csk" 96.85 277 100.00 100.00 0.00e+00 PDB 3DQW "C-Src Kinase Domain Thr338ile Mutant In Complex With Atpgs" 100.00 286 99.30 99.30 0.00e+00 PDB 3DQX "Chicken C-Src Kinase Domain In Complex With Atpgs" 100.00 286 100.00 100.00 0.00e+00 PDB 3EL7 "Crystal Structure Of C-Src In Complex With Pyrazolopyrimidine 3" 100.00 286 100.00 100.00 0.00e+00 PDB 3EL8 "Crystal Structure Of C-Src In Complex With Pyrazolopyrimidine 5" 100.00 286 100.00 100.00 0.00e+00 PDB 3EN4 "Targeted Polypharmacology: Crystal Structure Of The C-Src Kinase Domain In Complex With Pp121, A Multitargeted Kinase Inhibitor" 100.00 286 100.00 100.00 0.00e+00 PDB 3EN5 "Targeted Polypharmacology: Crystal Structure Of The C-Src Kinase Domain In Complex With Pp494, A Multitargeted Kinase Inhibitor" 100.00 286 100.00 100.00 0.00e+00 PDB 3EN6 "Targeted Polypharmacology: Crystal Structure Of The C-Src Kinase Domain In Complex With Pp102, A Multitargeted Kinase Inhibitor" 100.00 286 100.00 100.00 0.00e+00 PDB 3EN7 "Targeted Polypharmacology: Crystal Structure Of The C-Src Kinase Domain In Complex With S1, A Multitargeted Kinase Inhibitor" 100.00 286 100.00 100.00 0.00e+00 PDB 3F3T "Kinase Domain Of Csrc In Complex With Inhibitor Rl38 (Type Iii)" 100.00 286 99.65 99.65 0.00e+00 PDB 3F3U "Kinase Domain Of Csrc In Complex With Inhibitor Rl37 (Type Iii)" 100.00 286 99.65 99.65 0.00e+00 PDB 3F3V "Kinase Domain Of Csrc In Complex With Inhibitor Rl45 (Type Ii)" 100.00 286 99.65 99.65 0.00e+00 PDB 3F3W "Drug Resistant Csrc Kinase Domain In Complex With Inhibitor Rl45 (Type Ii)" 100.00 286 99.30 99.30 0.00e+00 PDB 3F6X "C-Src Kinase Domain In Complex With Small Molecule Inhibitor" 100.00 286 100.00 100.00 0.00e+00 PDB 3G5D "Kinase Domain Of Csrc In Complex With Dasatinib" 100.00 286 99.65 99.65 0.00e+00 PDB 3G6G "Equally Potent Inhibition Of C-Src And Abl By Compounds That Recognize Inactive Kinase Conformations" 100.00 286 100.00 100.00 0.00e+00 PDB 3G6H "Src Thr338ile Inhibited In The Dfg-Asp-Out Conformation" 100.00 286 99.65 99.65 0.00e+00 PDB 3GEQ "Structural Basis For The Chemical Rescue Of Src Kinase Activity" 100.00 286 99.65 99.65 0.00e+00 PDB 3LOK "Drug Resistant Csrc Kinase Domain In Complex With Covalent Inhibitor Pd168393" 100.00 286 99.30 99.30 0.00e+00 PDB 3OEZ "Crystal Structure Of The L317i Mutant Of The Chicken C-Src Tyrosine Kinase Domain Complexed With Imatinib" 100.00 286 99.65 100.00 0.00e+00 PDB 3OF0 "Crystal Structure Of The L317i Mutant Of The Chicken C-Src Tyrosine Kinase Domain" 100.00 286 99.65 100.00 0.00e+00 PDB 3QLF "Crystal Structure Of The L317i Mutant Of The C-Src Tyrosine Kinase Domain Complexed With Pyrazolopyrimidine 5" 100.00 286 99.65 100.00 0.00e+00 PDB 3QLG "Crystal Structure Of The L317i Mutant Of The C-Src Tyrosine Kinase Domain Complexed With Dasatinib" 100.00 286 99.65 100.00 0.00e+00 PDB 3SVV "Crystal Structure Of T338c C-Src Covalently Bound To Vinylsulfonamide- Pyrazolopyrimidine 9" 100.00 286 99.65 99.65 0.00e+00 PDB 3TZ7 "Kinase Domain Of Csrc In Complex With Rl103" 100.00 286 99.65 99.65 0.00e+00 PDB 3TZ8 "Kinase Domain Of Csrc In Complex With Rl104" 100.00 286 99.65 99.65 0.00e+00 PDB 3TZ9 "Kinase Domain Of Csrc In Complex With Rl130" 100.00 286 99.65 99.65 0.00e+00 PDB 3U4W "Src In Complex With Dna-Templated Macrocyclic Inhibitor Mc4b" 96.15 275 100.00 100.00 0.00e+00 PDB 3U51 "Src In Complex With Dna-Templated Macrocyclic Inhibitor Mc1" 96.15 275 100.00 100.00 0.00e+00 PDB 3UQF "C-Src Kinase Domain In Complex With Bki Rm-1-89" 100.00 286 100.00 100.00 0.00e+00 PDB 3UQG "C-Src Kinase Domain In Complex With Bumpless Bki Analog Uw1243" 100.00 286 100.00 100.00 0.00e+00 PDB 4AGW "Discovery Of A Small Molecule Type Ii Inhibitor Of Wild- Type And Gatekeeper Mutants Of Bcr-Abl, Pdgfralpha, Kit, And Src Kinas" 100.00 286 100.00 100.00 0.00e+00 PDB 4DGG "C-Src Kinase Domain In Complex With Rm-1-176" 100.00 286 100.00 100.00 0.00e+00 PDB 4FIC "Kinase Domain Of Csrc In Complex With A Hinge Region-binding Fragment" 100.00 286 100.00 100.00 0.00e+00 PDB 4K11 "The Structure Of 1na In Complex With Src T338g" 98.25 448 98.58 98.93 0.00e+00 PDB 4LGG "Structure Of 3mb-pp1 Bound To Analog-sensitive Src Kinase" 94.41 270 99.63 99.63 0.00e+00 PDB 4LGH "Crystal Structure Of 1nm-pp1 Bound To Analog-sensitive Src Kinase" 96.85 277 99.64 99.64 0.00e+00 PDB 4MCV "Star 12 Bound To Analog-sensitive Src Kinase" 97.20 278 99.64 99.64 0.00e+00 PDB 4MXO "Human Src Kinase Bound To Kinase Inhibitor Bosutinib" 100.00 286 99.30 99.65 0.00e+00 PDB 4MXX "Human Src A403t Mutant Bound To Kinase Inhibitor Bosutinib" 100.00 286 98.95 99.30 0.00e+00 PDB 4MXY "Src M314l T338m Double Mutant Bound To Kinase Inhibitor Bosutinib" 100.00 286 98.60 99.30 0.00e+00 PDB 4MXZ "Src M314l T338m Double Mutant Bound To Kinase Inhibitor Bosutinib" 100.00 286 98.60 99.30 0.00e+00 PDB 4O2P "Kinase Domain Of Csrc In Complex With A Substituted Pyrazolopyrimidine" 100.00 286 100.00 100.00 0.00e+00 PDB 4U5J "C-src In Complex With Ruxolitinib" 100.00 286 100.00 100.00 0.00e+00 PDB 5D10 "Kinase Domain Of Csrc In Complex With Rl236" 100.00 286 99.30 99.30 0.00e+00 PDB 5D11 "Kinase Domain Of Csrc In Complex With Rl235" 100.00 286 99.30 99.30 0.00e+00 PDB 5D12 "Kinase Domain Of Csrc In Complex With Rl40" 100.00 286 99.30 99.30 0.00e+00 DBJ BAB14871 "unnamed protein product [Homo sapiens]" 87.76 251 99.20 99.60 0.00e+00 DBJ BAE26865 "unnamed protein product [Mus musculus]" 98.95 535 98.59 99.65 0.00e+00 DBJ BAI47379 "v-src sarcoma (Schmidt-Ruppin A-2) viral oncogene homolog [synthetic construct]" 98.95 536 99.29 99.65 0.00e+00 EMBL CAA23696 "pp60-c-src protein [Gallus gallus]" 98.95 533 100.00 100.00 0.00e+00 EMBL CAA24495 "src [Avian sarcoma virus]" 93.01 526 97.74 98.50 0.00e+00 EMBL CAA26485 "c-src [Homo sapiens]" 98.95 351 99.29 99.65 0.00e+00 EMBL CAA32012 "unnamed protein product [Avian sarcoma virus]" 93.01 526 96.99 98.12 0.00e+00 EMBL CAA33404 "unnamed protein product [Rous sarcoma virus]" 93.01 526 98.12 98.50 0.00e+00 GB AAA40135 "tyrosine-specific protein kinase [Mus musculus]" 98.95 541 98.59 99.65 0.00e+00 GB AAA42563 "src-p60 phosphoprotein [Rous sarcoma virus]" 93.01 526 97.74 98.50 0.00e+00 GB AAA42565 "src-p60 phosphoprotein [Rous sarcoma virus]" 93.01 526 98.12 98.87 0.00e+00 GB AAA42583 "p66-src protein [Rous sarcoma virus]" 96.15 587 100.00 100.00 0.00e+00 GB AAA49961 "pp60c-src protein [Xenopus laevis]" 98.95 532 97.17 99.65 0.00e+00 PRF 0903255A "protein v-src" 93.01 772 97.74 98.50 0.00e+00 REF NP_001011413 "proto-oncogene tyrosine-protein kinase Src [Xenopus (Silurana) tropicalis]" 98.95 532 97.53 100.00 0.00e+00 REF NP_001020566 "neuronal proto-oncogene tyrosine-protein kinase Src isoform 2 [Mus musculus]" 98.95 535 98.59 99.65 0.00e+00 REF NP_001080738 "tyrosine-protein kinase Src-2 [Xenopus laevis]" 98.95 537 97.17 99.65 0.00e+00 REF NP_001104274 "proto-oncogene tyrosine-protein kinase Src [Bos taurus]" 98.95 542 99.29 99.65 0.00e+00 REF NP_001248263 "v-src sarcoma (Schmidt-Ruppin A-2) viral oncogene homolog [Macaca mulatta]" 98.95 536 99.29 99.65 0.00e+00 SP P00523 "RecName: Full=Proto-oncogene tyrosine-protein kinase Src; AltName: Full=Proto-oncogene c-Src; AltName: Full=pp60c-src; Short=p6" 98.95 533 100.00 100.00 0.00e+00 SP P00524 "RecName: Full=Tyrosine-protein kinase transforming protein Src; AltName: Full=pp60v-src; Short=p60-Src; Short=v-Src" 93.01 526 98.12 98.87 0.00e+00 SP P00525 "RecName: Full=Tyrosine-protein kinase transforming protein Src; AltName: Full=pp60v-src; Short=p60-Src; Short=v-Src" 93.01 526 98.12 98.87 0.00e+00 SP P00526 "RecName: Full=Tyrosine-protein kinase transforming protein Src; AltName: Full=pp60v-src; Short=p60-Src; Short=v-Src" 93.01 526 98.12 98.50 0.00e+00 SP P05480 "RecName: Full=Neuronal proto-oncogene tyrosine-protein kinase Src; AltName: Full=Proto-oncogene c-Src; AltName: Full=pp60c-src;" 98.95 541 98.59 99.65 0.00e+00 TPG DAA23281 "TPA: v-src sarcoma (Schmidt-Ruppin A-2) viral oncogene homolog [Bos taurus]" 98.95 542 99.29 99.65 0.00e+00 stop_ save_ ############# # Ligands # ############# save_STI _Saveframe_category ligand _Mol_type non-polymer _Name_common "STI (4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE)" _BMRB_code . _PDB_code STI _Molecular_mass 493.603 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Tue Jun 9 16:18:47 2009 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons C1 C1 C . 0 . ? C11 C11 C . 0 . ? C12 C12 C . 0 . ? C14 C14 C . 0 . ? C15 C15 C . 0 . ? C16 C16 C . 0 . ? C17 C17 C . 0 . ? C18 C18 C . 0 . ? C19 C19 C . 0 . ? C2 C2 C . 0 . ? C20 C20 C . 0 . ? C22 C22 C . 0 . ? C23 C23 C . 0 . ? C25 C25 C . 0 . ? C26 C26 C . 0 . ? C27 C27 C . 0 . ? C28 C28 C . 0 . ? C29 C29 C . 0 . ? C4 C4 C . 0 . ? C46 C46 C . 0 . ? C49 C49 C . 0 . ? C5 C5 C . 0 . ? C50 C50 C . 0 . ? C52 C52 C . 0 . ? C53 C53 C . 0 . ? C54 C54 C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C9 C9 C . 0 . ? H11 H11 H . 0 . ? H111 H111 H . 0 . ? H121 H121 H . 0 . ? H131 H131 H . 0 . ? H151 H151 H . 0 . ? H171 H171 H . 0 . ? H181 H181 H . 0 . ? H201 H201 H . 0 . ? H202 H202 H . 0 . ? H203 H203 H . 0 . ? H21 H21 H . 0 . ? H211 H211 H . 0 . ? H251 H251 H . 0 . ? H261 H261 H . 0 . ? H281 H281 H . 0 . ? H291 H291 H . 0 . ? H41 H41 H . 0 . ? H461 H461 H . 0 . ? H462 H462 H . 0 . ? H491 H491 H . 0 . ? H492 H492 H . 0 . ? H501 H501 H . 0 . ? H502 H502 H . 0 . ? H521 H521 H . 0 . ? H522 H522 H . 0 . ? H531 H531 H . 0 . ? H532 H532 H . 0 . ? H541 H541 H . 0 . ? H542 H542 H . 0 . ? H543 H543 H . 0 . ? H61 H61 H . 0 . ? N10 N10 N . 0 . ? N13 N13 N . 0 . ? N21 N21 N . 0 . ? N3 N3 N . 0 . ? N48 N48 N . 0 . ? N51 N51 N . 0 . ? N8 N8 N . 0 . ? O29 O29 O . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB C1 C6 ? ? SING C1 C2 ? ? SING C1 H11 ? ? SING C6 C5 ? ? SING C6 H61 ? ? DOUB C5 C4 ? ? SING C5 C7 ? ? SING C4 N3 ? ? SING C4 H41 ? ? DOUB N3 C2 ? ? SING C2 H21 ? ? DOUB C7 C12 ? ? SING C7 N8 ? ? SING C12 C11 ? ? SING C12 H121 ? ? DOUB C11 N10 ? ? SING C11 H111 ? ? SING N10 C9 ? ? DOUB C9 N8 ? ? SING C9 N13 ? ? SING N13 C14 ? ? SING N13 H131 ? ? DOUB C14 C19 ? ? SING C14 C15 ? ? SING C19 C18 ? ? SING C19 C20 ? ? DOUB C18 C17 ? ? SING C18 H181 ? ? SING C17 C16 ? ? SING C17 H171 ? ? DOUB C16 C15 ? ? SING C16 N21 ? ? SING C15 H151 ? ? SING N21 C22 ? ? SING N21 H211 ? ? SING C22 C23 ? ? DOUB C22 O29 ? ? DOUB C23 C25 ? ? SING C23 C29 ? ? SING C25 C26 ? ? SING C25 H251 ? ? DOUB C26 C27 ? ? SING C26 H261 ? ? SING C27 C28 ? ? SING C27 C46 ? ? DOUB C28 C29 ? ? SING C28 H281 ? ? SING C29 H291 ? ? SING C46 N48 ? ? SING C46 H461 ? ? SING C46 H462 ? ? SING N48 C53 ? ? SING N48 C49 ? ? SING C53 C52 ? ? SING C53 H531 ? ? SING C53 H532 ? ? SING C52 N51 ? ? SING C52 H521 ? ? SING C52 H522 ? ? SING N51 C54 ? ? SING N51 C50 ? ? SING C54 H541 ? ? SING C54 H542 ? ? SING C54 H543 ? ? SING C50 C49 ? ? SING C50 H501 ? ? SING C50 H502 ? ? SING C49 H491 ? ? SING C49 H492 ? ? SING C20 H201 ? ? SING C20 H202 ? ? SING C20 H203 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $SrcKD chicken 9031 Eukaryota Metazoa Gallus gallus cSrc 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 $SrcKD 'recombinant technology' . Escherichia coli BL21(DE3) 'modifyed 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 _Isotopic_labeling $SrcKD 0.2-0.4 mM [U-15N]-Leu $STI 0.3-0.6 mM 'natural abundance' TRIS 20 mM 'natural abundance' 'sodium choride' 0.5 M 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' 'magnesium chloride' 1 mM 'natural abundance' TCEP 1 mM 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SrcKD 0.2-0.4 mM [U-15N]-Ile $STI 0.3-0.6 mM 'natural abundance' TRIS 20 mM 'natural abundance' 'sodium choride' 0.5 M 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' 'magnesium chloride' 1 mM 'natural abundance' TCEP 1 mM 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SrcKD 0.2-0.4 mM [U-15N]-Met $STI 0.3-0.6 mM 'natural abundance' TRIS 20 mM 'natural abundance' 'sodium choride' 0.5 M 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' 'magnesium chloride' 1 mM 'natural abundance' TCEP 1 mM 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SrcKD 0.2-0.4 mM [U-15N]-Phe $STI 0.3-0.6 mM 'natural abundance' TRIS 20 mM 'natural abundance' 'sodium choride' 0.5 M 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' 'magnesium chloride' 1 mM 'natural abundance' TCEP 1 mM 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SrcKD 0.2-0.4 mM '[U-15N]-Val, [U-15N]-Leu' $STI 0.3-0.6 mM 'natural abundance' TRIS 20 mM 'natural abundance' 'sodium choride' 0.5 M 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' 'magnesium chloride' 1 mM 'natural abundance' TCEP 1 mM 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SrcKD 0.2-0.4 mM '[U-15N]-Tyr, [U-15N]-Leu' $STI 0.3-0.6 mM 'natural abundance' TRIS 20 mM 'natural abundance' 'sodium choride' 0.5 M 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' 'magnesium chloride' 1 mM 'natural abundance' TCEP 1 mM 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SrcKD 0.3-0.6 mM 'U-98% 15N; U-60% 2H]' $STI 0.45-0.9 mM 'natural abundance' TRIS 20 mM 'natural abundance' 'sodium choride' 0.5 M 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' 'magnesium chloride' 1 mM 'natural abundance' TCEP 1 mM 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_8 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SrcKD 0.3-0.6 mM '[U-99% 13C; U-98% 15N; U-92% 2H]' $STI 0.45-0.9 mM 'natural abundance' TRIS 20 mM 'natural abundance' 'sodium choride' 0.5 M 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' 'magnesium chloride' 1 mM 'natural abundance' TCEP 1 mM 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_9 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SrcKD 0.3-0.6 mM '[U-99% 13C; U-98% 15N; U-92% 2H]' $STI 0.45-0.9 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium choride' 0.5 M 'natural abundance' 'sodium azide' 0.03 % 'natural abundance' TCEP 1 mM 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 'Java 8.0.rc13' loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . 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 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_6 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_7 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_7 save_ save_4D_1H-15N-1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-15N-1H-15N NOESY' _Sample_label $sample_7 save_ save_4D_1H-15N-1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-15N-1H-15N NOESY' _Sample_label $sample_7 save_ save_4D_1H-15N-1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 1H-15N-1H-15N NOESY' _Sample_label $sample_7 save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_8 save_ save_2D_1H-15N_HSQC_NH2_only_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC NH2 only' _Sample_label $sample_8 save_ save_3D_HNCO_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_8 save_ save_3D_HNCA_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_8 save_ save_3D_HN(CO)CA_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_8 save_ save_3D_HNCACB_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_8 save_ save_3D_HN(CA)CB_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CB' _Sample_label $sample_8 save_ save_3D_HN(CO)CACB_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_8 save_ save_3D_HN(COCA)CB_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_8 save_ save_3D_HN(CA)CO_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_8 save_ save_3D_HNCO_22 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_8 save_ save_3D_HNCA_23 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_8 save_ save_3D_HN(CO)CA_24 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_8 save_ save_3D_HNCACB_25 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_8 save_ save_3D_HN(CA)CO_26 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_8 save_ save_3D_HNCACB_27 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_8 save_ save_2D_1H-15N_HSQC_28 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_9 save_ save_3D_HNCO_29 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_9 save_ save_3D_HNCA_30 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_9 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'Most experiments for assignment were recorded using these conditions: Tris pH 8.0' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.541 . M pH 8.0 0.1 pH pressure 1 . atm temperature 293 0.1 K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details 'A few experiments for assignment were also recorded using these conditions: phosphate pH 6.3' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.62 . M pH 6.3 0.1 pH pressure 1 . atm temperature 293 0.1 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 water H 1 protons ppm 4.72 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_8 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Src Kinase 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 8.5583 0.04 1 2 251 4 GLN C C 176.2503 0.05 1 3 251 4 GLN CA C 55.7989 0.05 1 4 251 4 GLN CB C 28.2949 0.05 1 5 251 4 GLN N N 122.4794 0.05 1 6 252 5 THR H H 8.2370 0.04 1 7 252 5 THR C C 174.5923 0.05 1 8 252 5 THR CA C 61.7144 0.05 1 9 252 5 THR CB C 71.4879 0.05 1 10 252 5 THR N N 115.8079 0.05 1 11 253 6 GLN H H 8.4953 0.04 1 12 253 6 GLN C C 176.3427 0.05 1 13 253 6 GLN CA C 55.7770 0.05 1 14 253 6 GLN CB C 28.48 0.05 1 15 253 6 GLN N N 123.1786 0.05 1 16 254 7 GLY H H 8.4403 0.04 1 17 254 7 GLY C C 173.9337 0.05 1 18 254 7 GLY CA C 44.9262 0.05 1 19 254 7 GLY N N 110.3092 0.05 1 20 255 8 LEU H H 8.0776 0.04 1 21 255 8 LEU C C 177.2111 0.05 1 22 255 8 LEU CA C 54.6428 0.05 1 23 255 8 LEU CB C 41.6912 0.05 1 24 255 8 LEU N N 121.6980 0.05 1 25 256 9 ALA H H 8.2763 0.04 1 26 256 9 ALA C C 177.6828 0.05 1 27 256 9 ALA CA C 52.0326 0.05 1 28 256 9 ALA CB C 18.0109 0.05 1 29 256 9 ALA N N 125.0212 0.05 1 30 257 10 LYS H H 8.2366 0.04 1 31 257 10 LYS C C 176.3165 0.05 1 32 257 10 LYS CA C 55.8742 0.05 1 33 257 10 LYS CB C 32.4665 0.05 1 34 257 10 LYS N N 120.6209 0.05 1 35 258 11 ASP H H 8.3903 0.04 1 36 258 11 ASP CA C 53.1833 0.05 1 37 258 11 ASP CB C 42.0188 0.05 1 38 258 11 ASP N N 122.1095 0.05 1 39 259 12 ALA H H 8.1680 0.04 1 40 259 12 ALA C C 177.9320 0.05 1 41 259 12 ALA CA C 53.4065 0.05 1 42 259 12 ALA CB C 17.0046 0.05 1 43 259 12 ALA N N 122.4108 0.05 1 44 260 13 TRP H H 8.4725 0.04 1 45 260 13 TRP C C 175.8170 0.05 1 46 260 13 TRP CA C 57.6213 0.05 1 47 260 13 TRP CB C 28.8825 0.05 1 48 260 13 TRP N N 117.9070 0.05 1 49 261 14 GLU C C 177.8008 0.05 1 50 261 14 GLU CA C 56.1692 0.05 1 51 261 14 GLU CB C 29.9580 0.05 1 52 262 15 ILE H H 8.1320 0.04 1 53 262 15 ILE C C 173.3782 0.05 1 54 262 15 ILE CA C 58.0256 0.05 1 55 262 15 ILE CB C 39.1937 0.05 1 56 262 15 ILE N N 120.2197 0.05 1 57 263 16 PRO C C 179.6671 0.05 1 58 263 16 PRO CA C 61.5351 0.05 1 59 263 16 PRO CB C 31.7141 0.05 1 60 264 17 ARG H H 9.4286 0.04 1 61 264 17 ARG C C 177.9989 0.05 1 62 264 17 ARG CA C 59.5048 0.05 1 63 264 17 ARG CB C 29.1486 0.05 1 64 264 17 ARG N N 128.9978 0.05 1 65 265 18 GLU H H 9.4165 0.04 1 66 265 18 GLU C C 176.8564 0.05 1 67 265 18 GLU CA C 58.2143 0.05 1 68 265 18 GLU CB C 27.4755 0.05 1 69 265 18 GLU N N 115.4394 0.05 1 70 266 19 SER H H 7.9070 0.04 1 71 266 19 SER C C 173.1653 0.05 1 72 266 19 SER CA C 59.8119 0.05 1 73 266 19 SER CB C 63.7529 0.05 1 74 266 19 SER N N 115.1178 0.05 1 75 267 20 LEU H H 7.9350 0.04 1 76 267 20 LEU C C 175.8589 0.05 1 77 267 20 LEU CA C 52.9931 0.05 1 78 267 20 LEU CB C 44.8028 0.05 1 79 267 20 LEU N N 123.7616 0.05 1 80 268 21 ARG H H 8.5422 0.04 1 81 268 21 ARG C C 174.7954 0.05 1 82 268 21 ARG CA C 54.2103 0.05 1 83 268 21 ARG CB C 31.8631 0.05 1 84 268 21 ARG N N 121.3982 0.05 1 85 269 22 LEU H H 8.7497 0.04 1 86 269 22 LEU C C 176.3784 0.05 1 87 269 22 LEU CA C 56.8293 0.05 1 88 269 22 LEU CB C 38.8434 0.05 1 89 269 22 LEU N N 129.3384 0.05 1 90 270 23 GLU H H 8.7810 0.04 1 91 270 23 GLU C C 176.3047 0.05 1 92 270 23 GLU CA C 58.4153 0.05 1 93 270 23 GLU CB C 31.1989 0.05 1 94 270 23 GLU N N 122.2756 0.05 1 95 271 24 VAL H H 8.0932 0.04 1 96 271 24 VAL C C 173.2716 0.05 1 97 271 24 VAL CA C 60.7565 0.05 1 98 271 24 VAL CB C 35.9803 0.05 1 99 271 24 VAL N N 117.7489 0.05 1 100 272 25 LYS H H 8.5118 0.04 1 101 272 25 LYS C C 175.5987 0.05 1 102 272 25 LYS CA C 56.8264 0.05 1 103 272 25 LYS CB C 30.1060 0.05 1 104 272 25 LYS N N 131.7808 0.05 1 105 273 26 LEU H H 9.2435 0.04 1 106 273 26 LEU C C 177.7066 0.05 1 107 273 26 LEU CA C 54.7136 0.05 1 108 273 26 LEU CB C 41.8984 0.05 1 109 273 26 LEU N N 128.6406 0.05 1 110 274 27 GLY H H 7.7333 0.04 1 111 274 27 GLY CA C 45.0833 0.05 1 112 274 27 GLY N N 105.2892 0.05 1 113 277 30 CYS C C 176.6700 0.05 1 114 277 30 CYS CA C 59.9399 0.05 1 115 277 30 CYS CB C 31.8728 0.05 1 116 278 31 PHE H H 8.3854 0.04 1 117 278 31 PHE CA C 50.6144 0.05 1 118 278 31 PHE CB C 40.3503 0.05 1 119 278 31 PHE N N 118.9308 0.05 1 120 280 33 GLU C C 175.0289 0.05 1 121 281 34 VAL H H 8.1428 0.04 1 122 281 34 VAL C C 174.9170 0.05 1 123 281 34 VAL CA C 60.5324 0.05 1 124 281 34 VAL CB C 32.5565 0.05 1 125 281 34 VAL N N 119.5768 0.05 1 126 282 35 TRP H H 9.9084 0.04 1 127 282 35 TRP C C 175.2468 0.05 1 128 282 35 TRP CA C 55.8919 0.05 1 129 282 35 TRP CB C 31.7729 0.05 1 130 282 35 TRP N N 127.5001 0.05 1 131 283 36 MET H H 9.6836 0.04 1 132 283 36 MET C C 176.5271 0.05 1 133 283 36 MET CA C 54.2490 0.05 1 134 283 36 MET CB C 34.0435 0.05 1 135 283 36 MET N N 120.2740 0.05 1 136 284 37 GLY H H 8.9860 0.04 1 137 284 37 GLY C C 172.0726 0.05 1 138 284 37 GLY CA C 45.6317 0.05 1 139 284 37 GLY N N 115.4095 0.05 1 140 285 38 THR H H 8.6710 0.04 1 141 285 38 THR C C 173.3644 0.05 1 142 285 38 THR CA C 61.0522 0.05 1 143 285 38 THR CB C 71.4344 0.05 1 144 285 38 THR N N 114.2884 0.05 1 145 286 39 TRP H H 9.8759 0.04 1 146 286 39 TRP C C 175.5038 0.05 1 147 286 39 TRP CA C 53.2392 0.05 1 148 286 39 TRP CB C 32.1873 0.05 1 149 286 39 TRP N N 129.4314 0.05 1 150 287 40 ASN H H 9.7277 0.04 1 151 287 40 ASN C C 175.5430 0.05 1 152 287 40 ASN CA C 53.5706 0.05 1 153 287 40 ASN CB C 35.8148 0.05 1 154 287 40 ASN N N 124.7919 0.05 1 155 288 41 GLY H H 9.0101 0.04 1 156 288 41 GLY C C 175.2100 0.05 1 157 288 41 GLY CA C 45.9583 0.05 1 158 288 41 GLY N N 105.9664 0.05 1 159 289 42 THR H H 7.5897 0.04 1 160 289 42 THR C C 174.6526 0.05 1 161 289 42 THR CA C 62.0983 0.05 1 162 289 42 THR CB C 70.9763 0.05 1 163 289 42 THR N N 109.1216 0.05 1 164 290 43 THR H H 7.9541 0.04 1 165 290 43 THR C C 173.3382 0.05 1 166 290 43 THR CA C 62.5376 0.05 1 167 290 43 THR CB C 70.2584 0.05 1 168 290 43 THR N N 120.4269 0.05 1 169 291 44 ARG H H 9.3182 0.04 1 170 291 44 ARG C C 175.0826 0.05 1 171 291 44 ARG CA C 56.6242 0.05 1 172 291 44 ARG CB C 29.3262 0.05 1 173 291 44 ARG N N 131.5375 0.05 1 174 292 45 VAL H H 8.5233 0.04 1 175 292 45 VAL C C 174.2472 0.05 1 176 292 45 VAL CA C 59.2174 0.05 1 177 292 45 VAL CB C 35.4987 0.05 1 178 292 45 VAL N N 115.5456 0.05 1 179 293 46 ALA H H 8.4097 0.04 1 180 293 46 ALA C C 175.8068 0.05 1 181 293 46 ALA CA C 49.9089 0.05 1 182 293 46 ALA CB C 20.6175 0.05 1 183 293 46 ALA N N 123.3056 0.05 1 184 294 47 ILE H H 9.1566 0.04 1 185 294 47 ILE C C 174.5928 0.05 1 186 294 47 ILE CA C 59.8427 0.05 1 187 294 47 ILE CB C 42.0402 0.05 1 188 294 47 ILE N N 120.0921 0.05 1 189 295 48 LYS H H 9.6216 0.04 1 190 295 48 LYS C C 175.5118 0.05 1 191 295 48 LYS CA C 54.7192 0.05 1 192 295 48 LYS CB C 35.3601 0.05 1 193 295 48 LYS N N 129.8956 0.05 1 194 296 49 THR C C 172.0859 0.05 1 195 296 49 THR CA C 59.0612 0.05 1 196 297 50 LEU H H 7.6122 0.04 1 197 297 50 LEU CA C 52.3574 0.05 1 198 297 50 LEU CB C 40.6392 0.05 1 199 297 50 LEU N N 122.6259 0.05 1 200 299 52 PRO C C 175.7531 0.05 1 201 299 52 PRO CA C 63.7058 0.05 1 202 299 52 PRO CB C 31.0843 0.05 1 203 300 53 GLY H H 9.1038 0.04 1 204 300 53 GLY C C 178.6136 0.05 1 205 300 53 GLY CA C 45.0480 0.05 1 206 300 53 GLY N N 111.5225 0.05 1 207 301 54 THR H H 8.0379 0.04 1 208 301 54 THR C C 174.9454 0.05 1 209 301 54 THR CA C 56.6609 0.05 1 210 301 54 THR CB C 68.6617 0.05 1 211 301 54 THR N N 111.5184 0.05 1 212 302 55 MET H H 7.8555 0.04 1 213 302 55 MET CA C 54.5376 0.05 1 214 302 55 MET CB C 36.4510 0.05 1 215 302 55 MET N N 120.0822 0.05 1 216 304 57 PRO C C 178.1001 0.05 1 217 304 57 PRO CA C 65.4666 0.05 1 218 304 57 PRO CB C 31.4163 0.05 1 219 305 58 GLU H H 8.6119 0.04 1 220 305 58 GLU C C 179.1029 0.05 1 221 305 58 GLU CA C 59.7164 0.05 1 222 305 58 GLU CB C 28.1749 0.05 1 223 305 58 GLU N N 115.5780 0.05 1 224 306 59 ALA H H 7.8235 0.04 1 225 306 59 ALA C C 180.7241 0.05 1 226 306 59 ALA CA C 54.3128 0.05 1 227 306 59 ALA CB C 17.6836 0.05 1 228 306 59 ALA N N 122.4578 0.05 1 229 307 60 PHE H H 8.2432 0.04 1 230 307 60 PHE C C 177.9250 0.05 1 231 307 60 PHE CA C 61.0629 0.05 1 232 307 60 PHE CB C 40.0720 0.05 1 233 307 60 PHE N N 121.1318 0.05 1 234 308 61 LEU H H 8.6888 0.04 1 235 308 61 LEU C C 178.9502 0.05 1 236 308 61 LEU CA C 56.3238 0.05 1 237 308 61 LEU CB C 40.8812 0.05 1 238 308 61 LEU N N 116.1557 0.05 1 239 309 62 GLN H H 7.7347 0.04 1 240 309 62 GLN C C 178.2005 0.05 1 241 309 62 GLN CA C 58.9255 0.05 1 242 309 62 GLN CB C 26.7482 0.05 1 243 309 62 GLN N N 122.2261 0.05 1 244 310 63 GLU H H 7.3168 0.04 1 245 310 63 GLU C C 178.1028 0.05 1 246 310 63 GLU CA C 58.7456 0.05 1 247 310 63 GLU CB C 28.8806 0.05 1 248 310 63 GLU N N 118.0168 0.05 1 249 311 64 ALA H H 6.7567 0.04 1 250 311 64 ALA C C 178.0986 0.05 1 251 311 64 ALA CA C 53.9641 0.05 1 252 311 64 ALA CB C 17.0517 0.05 1 253 311 64 ALA N N 118.7594 0.05 1 254 312 65 GLN H H 7.6461 0.04 1 255 312 65 GLN C C 179.4840 0.05 1 256 312 65 GLN CA C 57.9253 0.05 1 257 312 65 GLN CB C 26.9350 0.05 1 258 312 65 GLN N N 114.9645 0.05 1 259 313 66 VAL H H 7.5873 0.04 1 260 313 66 VAL C C 177.7866 0.05 1 261 313 66 VAL CA C 65.6121 0.05 1 262 313 66 VAL CB C 30.8146 0.05 1 263 313 66 VAL N N 119.2023 0.05 1 264 314 67 MET H H 7.5758 0.04 1 265 314 67 MET C C 177.6602 0.05 1 266 314 67 MET CA C 58.6650 0.05 1 267 314 67 MET CB C 34.5172 0.05 1 268 314 67 MET N N 118.0962 0.05 1 269 315 68 LYS H H 7.5038 0.04 1 270 315 68 LYS C C 177.8128 0.05 1 271 315 68 LYS CA C 58.7554 0.05 1 272 315 68 LYS CB C 32.5504 0.05 1 273 315 68 LYS N N 117.3793 0.05 1 274 316 69 LYS H H 7.1329 0.04 1 275 316 69 LYS C C 176.8365 0.05 1 276 316 69 LYS CA C 56.1080 0.05 1 277 316 69 LYS CB C 32.4447 0.05 1 278 316 69 LYS N N 115.4007 0.05 1 279 317 70 LEU H H 7.5267 0.04 1 280 317 70 LEU C C 174.2236 0.05 1 281 317 70 LEU CA C 53.0926 0.05 1 282 317 70 LEU CB C 40.3559 0.05 1 283 317 70 LEU N N 121.0289 0.05 1 284 318 71 ARG H H 7.8465 0.04 1 285 318 71 ARG C C 173.5019 0.05 1 286 318 71 ARG CA C 54.1542 0.05 1 287 318 71 ARG CB C 29.8993 0.05 1 288 318 71 ARG N N 122.7013 0.05 1 289 319 72 HIS H H 8.2585 0.04 1 290 319 72 HIS C C 175.1077 0.05 1 291 319 72 HIS CA C 57.3853 0.05 1 292 319 72 HIS CB C 33.7450 0.05 1 293 319 72 HIS N N 124.2542 0.05 1 294 320 73 GLU H H 7.8782 0.04 1 295 320 73 GLU C C 176.6401 0.05 1 296 320 73 GLU CA C 58.8556 0.05 1 297 320 73 GLU CB C 28.6102 0.05 1 298 320 73 GLU N N 124.8784 0.05 1 299 321 74 LYS H H 10.5204 0.04 1 300 321 74 LYS C C 174.7322 0.05 1 301 321 74 LYS CA C 52.8463 0.05 1 302 321 74 LYS CB C 29.0247 0.05 1 303 321 74 LYS N N 119.2759 0.05 1 304 322 75 LEU H H 7.8111 0.04 1 305 322 75 LEU C C 176.4743 0.05 1 306 322 75 LEU CA C 53.0523 0.05 1 307 322 75 LEU CB C 43.8482 0.05 1 308 322 75 LEU N N 121.9973 0.05 1 309 323 76 VAL H H 7.8680 0.04 1 310 323 76 VAL C C 174.1146 0.05 1 311 323 76 VAL CA C 63.4348 0.05 1 312 323 76 VAL CB C 31.1194 0.05 1 313 323 76 VAL N N 123.3011 0.05 1 314 324 77 GLN H H 9.4394 0.04 1 315 324 77 GLN C C 175.6405 0.05 1 316 324 77 GLN CA C 54.8225 0.05 1 317 324 77 GLN CB C 29.8524 0.05 1 318 324 77 GLN N N 127.0670 0.05 1 319 325 78 LEU H H 8.3310 0.04 1 320 325 78 LEU C C 176.0222 0.05 1 321 325 78 LEU CA C 55.1203 0.05 1 322 325 78 LEU CB C 41.9401 0.05 1 323 325 78 LEU N N 125.6733 0.05 1 324 326 79 TYR H H 9.6260 0.04 1 325 326 79 TYR C C 175.9233 0.05 1 326 326 79 TYR CA C 54.6421 0.05 1 327 326 79 TYR CB C 38.5844 0.05 1 328 326 79 TYR N N 125.0851 0.05 1 329 327 80 ALA H H 8.0560 0.04 1 330 327 80 ALA C C 173.6658 0.05 1 331 327 80 ALA CA C 51.6623 0.05 1 332 327 80 ALA CB C 22.3794 0.05 1 333 327 80 ALA N N 117.7770 0.05 1 334 328 81 VAL H H 8.2593 0.04 1 335 328 81 VAL C C 173.6721 0.05 1 336 328 81 VAL CA C 59.6726 0.05 1 337 328 81 VAL CB C 35.8379 0.05 1 338 328 81 VAL N N 114.1702 0.05 1 339 329 82 VAL H H 8.5406 0.04 1 340 329 82 VAL C C 176.9259 0.05 1 341 329 82 VAL CA C 61.6505 0.05 1 342 329 82 VAL CB C 32.4135 0.05 1 343 329 82 VAL N N 122.1868 0.05 1 344 330 83 SER H H 10.4506 0.04 1 345 330 83 SER C C 173.5433 0.05 1 346 330 83 SER CA C 60.0201 0.05 1 347 330 83 SER CB C 62.2435 0.05 1 348 330 83 SER N N 121.8842 0.05 1 349 331 84 GLU H H 6.8080 0.04 1 350 331 84 GLU C C 175.1337 0.05 1 351 331 84 GLU CA C 53.5313 0.05 1 352 331 84 GLU CB C 31.1148 0.05 1 353 331 84 GLU N N 119.5742 0.05 1 354 332 85 GLU H H 8.5984 0.04 1 355 332 85 GLU C C 175.5319 0.05 1 356 332 85 GLU CA C 55.6588 0.05 1 357 332 85 GLU CB C 29.4422 0.05 1 358 332 85 GLU N N 122.4493 0.05 1 359 333 86 PRO C C 176.2917 0.05 1 360 333 86 PRO CA C 64.8941 0.05 1 361 334 87 ILE H H 8.0938 0.04 1 362 334 87 ILE C C 176.3211 0.05 1 363 334 87 ILE CA C 60.7195 0.05 1 364 334 87 ILE CB C 37.0916 0.05 1 365 334 87 ILE N N 119.5391 0.05 1 366 335 88 TYR H H 8.6915 0.04 1 367 335 88 TYR C C 176.2064 0.05 1 368 335 88 TYR CA C 52.8881 0.05 1 369 335 88 TYR CB C 42.4405 0.05 1 370 335 88 TYR N N 121.0670 0.05 1 371 336 89 ILE H H 9.1821 0.04 1 372 336 89 ILE C C 175.1671 0.05 1 373 336 89 ILE CA C 62.2052 0.05 1 374 336 89 ILE CB C 40.7382 0.05 1 375 336 89 ILE N N 119.9499 0.05 1 376 337 90 VAL H H 8.5770 0.04 1 377 337 90 VAL C C 175.8718 0.05 1 378 337 90 VAL CA C 60.6800 0.05 1 379 337 90 VAL CB C 32.4538 0.05 1 380 337 90 VAL N N 127.0514 0.05 1 381 338 91 THR H H 9.6521 0.04 1 382 338 91 THR C C 173.1160 0.05 1 383 338 91 THR CA C 59.4752 0.05 1 384 338 91 THR CB C 73.2521 0.05 1 385 338 91 THR N N 119.2476 0.05 1 386 339 92 GLU H H 6.6552 0.04 1 387 339 92 GLU C C 172.6147 0.05 1 388 339 92 GLU CA C 55.7174 0.05 1 389 339 92 GLU CB C 29.2801 0.05 1 390 339 92 GLU N N 114.7303 0.05 1 391 340 93 TYR H H 8.1179 0.04 1 392 340 93 TYR C C 175.3375 0.05 1 393 340 93 TYR CA C 56.4411 0.05 1 394 340 93 TYR CB C 41.0471 0.05 1 395 340 93 TYR N N 120.6289 0.05 1 396 341 94 MET H H 10.3318 0.04 1 397 341 94 MET C C 172.9798 0.05 1 398 341 94 MET CA C 53.2159 0.05 1 399 341 94 MET N N 131.7162 0.05 1 400 342 95 SER C C 176.0893 0.05 1 401 342 95 SER CA C 61.7402 0.05 1 402 342 95 SER CB C 63.1299 0.05 1 403 343 96 LYS H H 8.3639 0.04 1 404 343 96 LYS C C 176.8216 0.05 1 405 343 96 LYS CA C 54.9915 0.05 1 406 343 96 LYS N N 119.2059 0.05 1 407 344 97 GLY H H 7.5767 0.04 1 408 344 97 GLY C C 172.1017 0.05 1 409 344 97 GLY CA C 44.8282 0.05 1 410 344 97 GLY N N 106.0124 0.05 1 411 345 98 SER H H 8.8280 0.04 1 412 345 98 SER C C 176.2437 0.05 1 413 345 98 SER CA C 57.1537 0.05 1 414 345 98 SER CB C 64.3114 0.05 1 415 345 98 SER N N 115.3213 0.05 1 416 346 99 LEU H H 9.4059 0.04 1 417 346 99 LEU C C 177.3882 0.05 1 418 346 99 LEU CA C 57.0773 0.05 1 419 346 99 LEU CB C 39.9820 0.05 1 420 346 99 LEU N N 126.0091 0.05 1 421 347 100 LEU H H 6.8530 0.04 1 422 347 100 LEU C C 176.9767 0.05 1 423 347 100 LEU CA C 57.8454 0.05 1 424 347 100 LEU CB C 40.3438 0.05 1 425 347 100 LEU N N 117.0612 0.05 1 426 348 101 ASP H H 7.0788 0.04 1 427 348 101 ASP C C 179.0617 0.05 1 428 348 101 ASP CA C 56.9369 0.05 1 429 348 101 ASP CB C 39.7849 0.05 1 430 348 101 ASP N N 115.8150 0.05 1 431 349 102 PHE H H 8.5590 0.04 1 432 349 102 PHE C C 178.3304 0.05 1 433 349 102 PHE CA C 60.9415 0.05 1 434 349 102 PHE CB C 39.0549 0.05 1 435 349 102 PHE N N 122.6998 0.05 1 436 350 103 LEU H H 8.5960 0.04 1 437 350 103 LEU C C 176.8410 0.05 1 438 350 103 LEU CA C 56.7104 0.05 1 439 350 103 LEU CB C 41.4573 0.05 1 440 350 103 LEU N N 117.0071 0.05 1 441 351 104 LYS H H 7.1322 0.04 1 442 351 104 LYS C C 177.7757 0.05 1 443 351 104 LYS CA C 56.9471 0.05 1 444 351 104 LYS CB C 32.5645 0.05 1 445 351 104 LYS N N 112.0367 0.05 1 446 352 105 GLY H H 7.2825 0.04 1 447 352 105 GLY C C 175.0943 0.05 1 448 352 105 GLY CA C 44.0503 0.05 1 449 352 105 GLY N N 107.4853 0.05 1 450 353 106 GLU C C 178.3139 0.05 1 451 353 106 GLU CA C 58.8979 0.05 1 452 353 106 GLU CB C 29.1454 0.05 1 453 354 107 MET H H 8.5557 0.04 1 454 354 107 MET C C 179.1715 0.05 1 455 354 107 MET CA C 56.1840 0.05 1 456 354 107 MET CB C 30.4466 0.05 1 457 354 107 MET N N 114.5448 0.05 1 458 355 108 GLY H H 7.4715 0.04 1 459 355 108 GLY C C 176.4290 0.05 1 460 355 108 GLY CA C 46.3027 0.05 1 461 355 108 GLY N N 107.3798 0.05 1 462 356 109 LYS H H 7.4479 0.04 1 463 356 109 LYS C C 177.5188 0.05 1 464 356 109 LYS CA C 58.1575 0.05 1 465 356 109 LYS CB C 30.9944 0.05 1 466 356 109 LYS N N 118.1725 0.05 1 467 357 110 TYR H H 7.3129 0.04 1 468 357 110 TYR C C 176.3038 0.05 1 469 357 110 TYR CA C 57.6056 0.05 1 470 357 110 TYR CB C 37.7405 0.05 1 471 357 110 TYR N N 116.1487 0.05 1 472 358 111 LEU H H 7.2392 0.04 1 473 358 111 LEU C C 176.8987 0.05 1 474 358 111 LEU CA C 55.2365 0.05 1 475 358 111 LEU CB C 42.0203 0.05 1 476 358 111 LEU N N 119.2461 0.05 1 477 359 112 ARG H H 8.6233 0.04 1 478 359 112 ARG C C 176.6217 0.05 1 479 359 112 ARG CA C 52.7106 0.05 1 480 359 112 ARG CB C 32.1444 0.05 1 481 359 112 ARG N N 121.3619 0.05 1 482 361 114 PRO C C 179.8037 0.05 1 483 361 114 PRO CA C 66.2726 0.05 1 484 361 114 PRO CB C 29.5976 0.05 1 485 362 115 GLN H H 7.2908 0.04 1 486 362 115 GLN C C 177.9670 0.05 1 487 362 115 GLN CA C 59.3392 0.05 1 488 362 115 GLN CB C 28.6861 0.05 1 489 362 115 GLN N N 115.0338 0.05 1 490 363 116 LEU H H 7.8026 0.04 1 491 363 116 LEU C C 179.1619 0.05 1 492 363 116 LEU CA C 57.5285 0.05 1 493 363 116 LEU CB C 40.9157 0.05 1 494 363 116 LEU N N 119.5224 0.05 1 495 364 117 VAL H H 8.9127 0.04 1 496 364 117 VAL C C 176.9648 0.05 1 497 364 117 VAL CA C 66.4408 0.05 1 498 364 117 VAL CB C 31.0486 0.05 1 499 364 117 VAL N N 118.9165 0.05 1 500 365 118 ASP H H 7.6373 0.04 1 501 365 118 ASP C C 179.0671 0.05 1 502 365 118 ASP CA C 57.5222 0.05 1 503 365 118 ASP CB C 41.4790 0.05 1 504 365 118 ASP N N 120.8754 0.05 1 505 366 119 MET H H 8.2282 0.04 1 506 366 119 MET C C 173.8724 0.05 1 507 366 119 MET CA C 60.2647 0.05 1 508 366 119 MET N N 118.3527 0.05 1 509 367 120 ALA C C 178.9788 0.05 1 510 367 120 ALA CA C 55.2000 0.05 1 511 367 120 ALA CB C 17.4656 0.05 1 512 368 121 ALA H H 9.0879 0.04 1 513 368 121 ALA C C 180.6003 0.05 1 514 368 121 ALA CA C 55.2018 0.05 1 515 368 121 ALA CB C 16.8697 0.05 1 516 368 121 ALA N N 121.8696 0.05 1 517 369 122 GLN H H 8.3346 0.04 1 518 369 122 GLN C C 178.4550 0.05 1 519 369 122 GLN CA C 59.5534 0.05 1 520 369 122 GLN CB C 30.7749 0.05 1 521 369 122 GLN N N 120.0548 0.05 1 522 370 123 ILE C C 178.2113 0.05 1 523 370 123 ILE CA C 60.1396 0.05 1 524 371 124 ALA H H 8.2048 0.04 1 525 371 124 ALA C C 177.9920 0.05 1 526 371 124 ALA CA C 55.0730 0.05 1 527 371 124 ALA CB C 15.3244 0.05 1 528 371 124 ALA N N 119.8513 0.05 1 529 372 125 SER H H 8.0967 0.04 1 530 372 125 SER C C 178.4029 0.05 1 531 372 125 SER CA C 60.2024 0.05 1 532 372 125 SER CB C 64.9855 0.05 1 533 372 125 SER N N 113.0896 0.05 1 534 373 126 GLY H H 7.8644 0.04 1 535 373 126 GLY C C 175.5542 0.05 1 536 373 126 GLY CA C 46.8420 0.05 1 537 373 126 GLY N N 108.1804 0.05 1 538 374 127 MET H H 8.1559 0.04 1 539 374 127 MET C C 178.3125 0.05 1 540 374 127 MET CA C 53.8173 0.05 1 541 374 127 MET CB C 35.50 0.05 1 542 374 127 MET N N 118.5260 0.05 1 543 375 128 ALA H H 8.9651 0.04 1 544 375 128 ALA C C 180.5167 0.05 1 545 375 128 ALA CA C 54.3414 0.05 1 546 375 128 ALA CB C 16.0371 0.05 1 547 375 128 ALA N N 124.8421 0.05 1 548 376 129 TYR H H 7.4298 0.04 1 549 376 129 TYR C C 176.2944 0.05 1 550 376 129 TYR CA C 61.3414 0.05 1 551 376 129 TYR CB C 36.5787 0.05 1 552 376 129 TYR N N 122.8546 0.05 1 553 377 130 VAL H H 7.6219 0.04 1 554 377 130 VAL C C 177.2553 0.05 1 555 377 130 VAL CA C 67.6895 0.05 1 556 377 130 VAL CB C 30.3658 0.05 1 557 377 130 VAL N N 121.0736 0.05 1 558 378 131 GLU H H 8.7997 0.04 1 559 378 131 GLU C C 180.2561 0.05 1 560 378 131 GLU CA C 59.0531 0.05 1 561 378 131 GLU CB C 31.0313 0.05 1 562 378 131 GLU N N 118.9439 0.05 1 563 379 132 ARG H H 8.2441 0.04 1 564 379 132 ARG C C 177.7465 0.05 1 565 379 132 ARG CA C 58.6229 0.05 1 566 379 132 ARG CB C 28.8843 0.05 1 567 379 132 ARG N N 121.9911 0.05 1 568 380 133 MET H H 7.7783 0.04 1 569 380 133 MET C C 175.4533 0.05 1 570 380 133 MET CA C 53.3905 0.05 1 571 380 133 MET CB C 29.9936 0.05 1 572 380 133 MET N N 116.0887 0.05 1 573 381 134 ASN H H 7.9937 0.04 1 574 381 134 ASN C C 174.5150 0.05 1 575 381 134 ASN CA C 54.5230 0.05 1 576 381 134 ASN CB C 36.1441 0.05 1 577 381 134 ASN N N 113.1680 0.05 1 578 382 135 TYR H H 7.8077 0.04 1 579 382 135 TYR C C 173.5464 0.05 1 580 382 135 TYR CA C 57.8716 0.05 1 581 382 135 TYR CB C 42.3208 0.05 1 582 382 135 TYR N N 116.6442 0.05 1 583 383 136 VAL H H 7.9698 0.04 1 584 383 136 VAL C C 176.1524 0.05 1 585 383 136 VAL CA C 60.5287 0.05 1 586 383 136 VAL CB C 34.0217 0.05 1 587 383 136 VAL N N 117.0276 0.05 1 588 384 137 HIS C C 176.9191 0.05 1 589 384 137 HIS CA C 63.7068 0.05 1 590 385 138 ARG H H 9.7216 0.04 1 591 385 138 ARG C C 175.9694 0.05 1 592 385 138 ARG CA C 60.1754 0.05 1 593 385 138 ARG CB C 29.3974 0.05 1 594 385 138 ARG N N 111.7288 0.05 1 595 386 139 ASP H H 10.8505 0.04 1 596 386 139 ASP C C 174.6372 0.05 1 597 386 139 ASP CA C 52.3105 0.05 1 598 386 139 ASP CB C 40.2340 0.05 1 599 386 139 ASP N N 127.4736 0.05 1 600 387 140 LEU H H 9.4678 0.04 1 601 387 140 LEU C C 173.7737 0.05 1 602 387 140 LEU CA C 55.6620 0.05 1 603 387 140 LEU CB C 40.5626 0.05 1 604 387 140 LEU N N 125.1478 0.05 1 605 388 141 ARG H H 6.6837 0.04 1 606 388 141 ARG C C 176.2336 0.05 1 607 388 141 ARG CA C 54.4009 0.05 1 608 388 141 ARG CB C 28.6864 0.05 1 609 388 141 ARG N N 116.2091 0.05 1 610 389 142 ALA H H 10.2763 0.04 1 611 389 142 ALA C C 178.8053 0.05 1 612 389 142 ALA CA C 55.9407 0.05 1 613 389 142 ALA CB C 15.1177 0.05 1 614 389 142 ALA N N 126.8605 0.05 1 615 390 143 ALA H H 9.4118 0.04 1 616 390 143 ALA N N 118.3868 0.05 1 617 391 144 ASN C C 176.9168 0.05 1 618 391 144 ASN CA C 58.4894 0.05 1 619 392 145 ILE H H 7.3042 0.04 1 620 392 145 ILE C C 175.3912 0.05 1 621 392 145 ILE CA C 56.4485 0.05 1 622 392 145 ILE CB C 38.7732 0.05 1 623 392 145 ILE N N 117.7344 0.05 1 624 393 146 LEU H H 8.8174 0.04 1 625 393 146 LEU C C 174.7160 0.05 1 626 393 146 LEU CA C 52.0554 0.05 1 627 393 146 LEU CB C 45.2237 0.05 1 628 393 146 LEU N N 126.5729 0.05 1 629 394 147 VAL H H 8.5296 0.04 1 630 394 147 VAL C C 175.1931 0.05 1 631 394 147 VAL CA C 59.7882 0.05 1 632 394 147 VAL CB C 32.4820 0.05 1 633 394 147 VAL N N 119.9585 0.05 1 634 395 148 GLY H H 8.9596 0.04 1 635 395 148 GLY C C 173.5849 0.05 1 636 395 148 GLY CA C 42.8992 0.05 1 637 395 148 GLY N N 114.7724 0.05 1 638 396 149 GLU H H 8.3376 0.04 1 639 396 149 GLU C C 177.9909 0.05 1 640 396 149 GLU CA C 56.5290 0.05 1 641 396 149 GLU CB C 29.2765 0.05 1 642 396 149 GLU N N 119.1474 0.05 1 643 397 150 ASN C C 174.2094 0.05 1 644 397 150 ASN CA C 54.1293 0.05 1 645 397 150 ASN CB C 36.6184 0.05 1 646 398 151 LEU H H 8.3299 0.04 1 647 398 151 LEU C C 175.5815 0.05 1 648 398 151 LEU CA C 55.5564 0.05 1 649 398 151 LEU CB C 36.9772 0.05 1 650 398 151 LEU N N 111.4222 0.05 1 651 399 152 VAL H H 6.7288 0.04 1 652 399 152 VAL C C 175.4558 0.05 1 653 399 152 VAL CA C 62.1316 0.05 1 654 399 152 VAL CB C 31.5213 0.05 1 655 399 152 VAL N N 118.2947 0.05 1 656 400 153 CYS H H 8.1850 0.04 1 657 400 153 CYS C C 172.9026 0.05 1 658 400 153 CYS CA C 57.1776 0.05 1 659 400 153 CYS CB C 30.6455 0.05 1 660 400 153 CYS N N 123.4016 0.05 1 661 401 154 LYS H H 8.6381 0.04 1 662 401 154 LYS C C 175.2430 0.05 1 663 401 154 LYS CA C 53.4279 0.05 1 664 401 154 LYS CB C 37.0155 0.05 1 665 401 154 LYS N N 114.4962 0.05 1 666 402 155 VAL H H 8.9924 0.04 1 667 402 155 VAL C C 173.2297 0.05 1 668 402 155 VAL CA C 63.9372 0.05 1 669 402 155 VAL CB C 31.0342 0.05 1 670 402 155 VAL N N 122.7268 0.05 1 671 403 156 ALA H H 8.2088 0.04 1 672 403 156 ALA C C 175.3434 0.05 1 673 403 156 ALA CA C 49.7321 0.05 1 674 403 156 ALA CB C 22.7441 0.05 1 675 403 156 ALA N N 130.3445 0.05 1 676 404 157 ASP H H 7.0985 0.04 1 677 404 157 ASP CA C 54.3187 0.05 1 678 404 157 ASP CB C 40.5202 0.05 1 679 404 157 ASP N N 115.3512 0.05 1 680 405 158 PHE C C 174.9776 0.05 1 681 405 158 PHE CA C 56.1300 0.05 1 682 406 159 GLY H H 7.1986 0.04 1 683 406 159 GLY C C 170.8617 0.05 1 684 406 159 GLY CA C 45.1644 0.05 1 685 406 159 GLY N N 106.2774 0.05 1 686 407 160 LEU H H 8.4770 0.04 1 687 407 160 LEU CA C 54.7706 0.05 1 688 407 160 LEU N N 116.8522 0.05 1 689 429 182 THR C C 177.8897 0.05 1 690 429 182 THR CA C 64.9106 0.05 1 691 430 183 ALA H H 8.9446 0.04 1 692 430 183 ALA CA C 54.9694 0.05 1 693 430 183 ALA CB C 15.6138 0.05 1 694 430 183 ALA N N 120.9958 0.05 1 695 431 184 PRO C C 176.8714 0.05 1 696 431 184 PRO CA C 64.9880 0.05 1 697 431 184 PRO CB C 30.1492 0.05 1 698 432 185 GLU H H 9.0476 0.04 1 699 432 185 GLU C C 177.7674 0.05 1 700 432 185 GLU CA C 58.3283 0.05 1 701 432 185 GLU CB C 25.2587 0.05 1 702 432 185 GLU N N 114.6616 0.05 1 703 433 186 ALA H H 6.6661 0.04 1 704 433 186 ALA C C 177.1595 0.05 1 705 433 186 ALA CA C 53.7143 0.05 1 706 433 186 ALA CB C 18.0452 0.05 1 707 433 186 ALA N N 126.7857 0.05 1 708 434 187 ALA H H 7.4622 0.04 1 709 434 187 ALA C C 178.8637 0.05 1 710 434 187 ALA CA C 53.9068 0.05 1 711 434 187 ALA CB C 15.5425 0.05 1 712 434 187 ALA N N 119.2201 0.05 1 713 435 188 LEU H H 8.2770 0.04 1 714 435 188 LEU C C 178.7549 0.05 1 715 435 188 LEU CA C 55.9687 0.05 1 716 435 188 LEU CB C 40.6015 0.05 1 717 435 188 LEU N N 112.8526 0.05 1 718 436 189 TYR H H 6.2452 0.04 1 719 436 189 TYR C C 176.5968 0.05 1 720 436 189 TYR CA C 55.5589 0.05 1 721 436 189 TYR CB C 39.0866 0.05 1 722 436 189 TYR N N 112.1413 0.05 1 723 437 190 GLY H H 7.4243 0.04 1 724 437 190 GLY C C 174.4964 0.05 1 725 437 190 GLY CA C 45.9578 0.05 1 726 437 190 GLY N N 108.8321 0.05 1 727 438 191 ARG H H 7.3781 0.04 1 728 438 191 ARG C C 174.5113 0.05 1 729 438 191 ARG CA C 54.5088 0.05 1 730 438 191 ARG CB C 27.9016 0.05 1 731 438 191 ARG N N 122.4545 0.05 1 732 439 192 PHE H H 8.0897 0.04 1 733 439 192 PHE C C 176.3850 0.05 1 734 439 192 PHE CA C 57.4038 0.05 1 735 439 192 PHE CB C 39.0189 0.05 1 736 439 192 PHE N N 125.8830 0.05 1 737 440 193 THR H H 9.7066 0.04 1 738 440 193 THR C C 175.4252 0.05 1 739 440 193 THR CA C 60.3226 0.05 1 740 440 193 THR CB C 70.1169 0.05 1 741 440 193 THR N N 116.2324 0.05 1 742 441 194 ILE H H 9.6840 0.04 1 743 441 194 ILE C C 176.0357 0.05 1 744 441 194 ILE CA C 60.3847 0.05 1 745 441 194 ILE CB C 37.7171 0.05 1 746 441 194 ILE N N 123.3052 0.05 1 747 442 195 LYS C C 182.5342 0.05 1 748 442 195 LYS CA C 56.1343 0.05 1 749 443 196 SER H H 8.5816 0.04 1 750 443 196 SER C C 178.9297 0.05 1 751 443 196 SER CA C 61.6814 0.05 1 752 443 196 SER N N 120.5104 0.05 1 753 444 197 ASP H H 7.9952 0.04 1 754 444 197 ASP C C 179.1189 0.05 1 755 444 197 ASP CA C 58.3033 0.05 1 756 444 197 ASP CB C 39.2960 0.05 1 757 444 197 ASP N N 127.1599 0.05 1 758 445 198 VAL H H 8.1888 0.04 1 759 445 198 VAL C C 177.9546 0.05 1 760 445 198 VAL CA C 67.2624 0.05 1 761 445 198 VAL CB C 30.1901 0.05 1 762 445 198 VAL N N 123.0220 0.05 1 763 446 199 TRP H H 7.3698 0.04 1 764 446 199 TRP C C 179.6983 0.05 1 765 446 199 TRP CA C 61.1017 0.05 1 766 446 199 TRP CB C 27.3216 0.05 1 767 446 199 TRP N N 120.9310 0.05 1 768 447 200 SER H H 8.7060 0.04 1 769 447 200 SER C C 176.7061 0.05 1 770 447 200 SER CA C 62.2148 0.05 1 771 447 200 SER CB C 63.4028 0.05 1 772 447 200 SER N N 116.2745 0.05 1 773 448 201 PHE H H 9.4451 0.04 1 774 448 201 PHE C C 176.9212 0.05 1 775 448 201 PHE CA C 61.3359 0.05 1 776 448 201 PHE CB C 38.5929 0.05 1 777 448 201 PHE N N 123.7188 0.05 1 778 449 202 GLY H H 8.5162 0.04 1 779 449 202 GLY C C 175.8711 0.05 1 780 449 202 GLY CA C 47.2032 0.05 1 781 449 202 GLY N N 107.0965 0.05 1 782 450 203 ILE H H 8.0675 0.04 1 783 450 203 ILE C C 180.4829 0.05 1 784 450 203 ILE CA C 62.5939 0.05 1 785 450 203 ILE CB C 33.5598 0.05 1 786 450 203 ILE N N 119.2581 0.05 1 787 451 204 LEU H H 9.5918 0.04 1 788 451 204 LEU C C 179.8152 0.05 1 789 451 204 LEU CA C 58.6943 0.05 1 790 451 204 LEU CB C 41.1097 0.05 1 791 451 204 LEU N N 129.3325 0.05 1 792 452 205 LEU H H 8.5454 0.04 1 793 452 205 LEU C C 180.6548 0.05 1 794 452 205 LEU CA C 58.1959 0.05 1 795 452 205 LEU CB C 41.3110 0.05 1 796 452 205 LEU N N 119.2775 0.05 1 797 453 206 THR H H 8.0003 0.04 1 798 453 206 THR C C 176.2844 0.05 1 799 453 206 THR CA C 65.7133 0.05 1 800 453 206 THR CB C 68.1864 0.05 1 801 453 206 THR N N 114.0902 0.05 1 802 454 207 GLU H H 7.8335 0.04 1 803 454 207 GLU C C 178.7362 0.05 1 804 454 207 GLU CA C 60.5962 0.05 1 805 454 207 GLU CB C 30.0619 0.05 1 806 454 207 GLU N N 124.8473 0.05 1 807 455 208 LEU H H 8.3900 0.04 1 808 455 208 LEU C C 177.9706 0.05 1 809 455 208 LEU CA C 58.1210 0.05 1 810 455 208 LEU CB C 42.0947 0.05 1 811 455 208 LEU N N 116.4300 0.05 1 812 456 209 THR H H 7.6623 0.04 1 813 456 209 THR C C 175.5431 0.05 1 814 456 209 THR CA C 64.0946 0.05 1 815 456 209 THR CB C 69.7173 0.05 1 816 456 209 THR N N 103.7170 0.05 1 817 457 210 THR H H 7.5235 0.04 1 818 457 210 THR C C 174.2416 0.05 1 819 457 210 THR CA C 61.3130 0.05 1 820 457 210 THR CB C 69.1330 0.05 1 821 457 210 THR N N 109.3094 0.05 1 822 458 211 LYS H H 7.9520 0.04 1 823 458 211 LYS C C 175.1994 0.05 1 824 458 211 LYS CA C 57.9819 0.05 1 825 458 211 LYS CB C 28.0285 0.05 1 826 458 211 LYS N N 118.2461 0.05 1 827 459 212 GLY H H 9.3394 0.04 1 828 459 212 GLY C C 173.6751 0.05 1 829 459 212 GLY CA C 44.8629 0.05 1 830 459 212 GLY N N 103.1731 0.05 1 831 460 213 ARG H H 7.5178 0.04 1 832 460 213 ARG C C 176.4899 0.05 1 833 460 213 ARG CA C 56.0947 0.05 1 834 460 213 ARG CB C 28.7040 0.05 1 835 460 213 ARG N N 122.4825 0.05 1 836 461 214 VAL H H 8.2055 0.04 1 837 461 214 VAL C C 174.0667 0.05 1 838 461 214 VAL CA C 59.9078 0.05 1 839 461 214 VAL CB C 31.5791 0.05 1 840 461 214 VAL N N 127.3042 0.05 1 841 462 215 PRO CA C 61.7938 0.05 1 842 462 215 PRO CB C 31.8431 0.05 1 843 463 216 TYR H H 7.4900 0.04 1 844 463 216 TYR CA C 57.0553 0.05 1 845 463 216 TYR CB C 36.3620 0.05 1 846 463 216 TYR N N 114.5920 0.05 1 847 464 217 PRO C C 178.8207 0.05 1 848 464 217 PRO CA C 63.7250 0.05 1 849 464 217 PRO CB C 30.2510 0.05 1 850 465 218 GLY H H 8.8623 0.04 1 851 465 218 GLY C C 173.8309 0.05 1 852 465 218 GLY CA C 44.7177 0.05 1 853 465 218 GLY N N 111.4944 0.05 1 854 466 219 MET H H 7.9680 0.04 1 855 466 219 MET C C 176.6765 0.05 1 856 466 219 MET CA C 54.6040 0.05 1 857 466 219 MET CB C 34.5268 0.05 1 858 466 219 MET N N 119.6600 0.05 1 859 467 220 VAL H H 8.6167 0.04 1 860 467 220 VAL C C 177.7425 0.05 1 861 467 220 VAL CA C 60.0155 0.05 1 862 467 220 VAL CB C 31.6932 0.05 1 863 467 220 VAL N N 118.2556 0.05 1 864 470 223 GLU C C 177.4036 0.05 1 865 470 223 GLU CA C 56.7006 0.05 1 866 470 223 GLU CB C 30.8633 0.05 1 867 471 224 VAL H H 7.3466 0.04 1 868 471 224 VAL C C 176.8176 0.05 1 869 471 224 VAL CA C 66.1466 0.05 1 870 471 224 VAL CB C 30.4890 0.05 1 871 471 224 VAL N N 118.6450 0.05 1 872 472 225 LEU H H 7.9443 0.04 1 873 472 225 LEU C C 178.6660 0.05 1 874 472 225 LEU CA C 57.7252 0.05 1 875 472 225 LEU CB C 40.3416 0.05 1 876 472 225 LEU N N 117.8731 0.05 1 877 473 226 ASP H H 7.8922 0.04 1 878 473 226 ASP C C 178.8011 0.05 1 879 473 226 ASP CA C 57.1141 0.05 1 880 473 226 ASP CB C 40.6414 0.05 1 881 473 226 ASP N N 117.7134 0.05 1 882 474 227 GLN H H 7.8951 0.04 1 883 474 227 GLN C C 179.6737 0.05 1 884 474 227 GLN CA C 58.7691 0.05 1 885 474 227 GLN CB C 25.7805 0.05 1 886 474 227 GLN N N 116.1665 0.05 1 887 475 228 VAL H H 9.0577 0.04 1 888 475 228 VAL C C 181.7109 0.05 1 889 475 228 VAL CA C 65.1309 0.05 1 890 475 228 VAL CB C 31.0048 0.05 1 891 475 228 VAL N N 120.6515 0.05 1 892 476 229 GLU H H 8.5119 0.04 1 893 476 229 GLU C C 177.7991 0.05 1 894 476 229 GLU CA C 59.3574 0.05 1 895 476 229 GLU CB C 28.8388 0.05 1 896 476 229 GLU N N 124.1612 0.05 1 897 477 230 ARG H H 7.2898 0.04 1 898 477 230 ARG C C 176.6493 0.05 1 899 477 230 ARG CA C 56.3034 0.05 1 900 477 230 ARG CB C 29.5594 0.05 1 901 477 230 ARG N N 116.3763 0.05 1 902 478 231 GLY H H 7.7531 0.04 1 903 478 231 GLY C C 174.2144 0.05 1 904 478 231 GLY CA C 44.4501 0.05 1 905 478 231 GLY N N 106.0240 0.05 1 906 479 232 TYR H H 8.3578 0.04 1 907 479 232 TYR C C 175.7501 0.05 1 908 479 232 TYR CA C 60.2824 0.05 1 909 479 232 TYR CB C 38.5937 0.05 1 910 479 232 TYR N N 124.0362 0.05 1 911 480 233 ARG H H 6.9374 0.04 1 912 480 233 ARG C C 174.2008 0.05 1 913 480 233 ARG CA C 51.6809 0.05 1 914 480 233 ARG CB C 32.2071 0.05 1 915 480 233 ARG N N 125.9731 0.05 1 916 481 234 MET H H 7.7542 0.04 1 917 481 234 MET C C 174.3522 0.05 1 918 481 234 MET CA C 55.1774 0.05 1 919 481 234 MET CB C 32.9976 0.05 1 920 481 234 MET N N 119.5067 0.05 1 921 482 235 PRO C C 174.5290 0.05 1 922 482 235 PRO CA C 61.0412 0.05 1 923 482 235 PRO CB C 31.9592 0.05 1 924 483 236 CYS H H 7.9184 0.04 1 925 483 236 CYS C C 173.6730 0.05 1 926 483 236 CYS CA C 57.6239 0.05 1 927 483 236 CYS CB C 26.2855 0.05 1 928 483 236 CYS N N 121.3594 0.05 1 929 485 238 PRO C C 177.8149 0.05 1 930 485 238 PRO CA C 64.0880 0.05 1 931 486 239 GLU H H 8.7054 0.04 1 932 486 239 GLU C C 174.2888 0.05 1 933 486 239 GLU CA C 58.0260 0.05 1 934 486 239 GLU CB C 27.7668 0.05 1 935 486 239 GLU N N 115.4300 0.05 1 936 487 240 CYS H H 7.9252 0.04 1 937 487 240 CYS C C 172.0165 0.05 1 938 487 240 CYS CA C 55.5393 0.05 1 939 487 240 CYS CB C 28.7089 0.05 1 940 487 240 CYS N N 122.4443 0.05 1 941 490 243 SER C C 177.6033 0.05 1 942 490 243 SER CA C 60.3345 0.05 1 943 490 243 SER CB C 61.6512 0.05 1 944 491 244 LEU H H 7.5080 0.04 1 945 491 244 LEU C C 178.2737 0.05 1 946 491 244 LEU CA C 56.0238 0.05 1 947 491 244 LEU CB C 40.9089 0.05 1 948 491 244 LEU N N 123.3946 0.05 1 949 492 245 HIS H H 7.5721 0.04 1 950 492 245 HIS C C 177.9054 0.05 1 951 492 245 HIS CA C 59.2388 0.05 1 952 492 245 HIS CB C 30.7640 0.05 1 953 492 245 HIS N N 121.4764 0.05 1 954 493 246 ASP H H 9.0977 0.04 1 955 493 246 ASP C C 178.3267 0.05 1 956 493 246 ASP CA C 57.2883 0.05 1 957 493 246 ASP CB C 40.0391 0.05 1 958 493 246 ASP N N 120.6762 0.05 1 959 494 247 LEU H H 6.7913 0.04 1 960 494 247 LEU C C 179.3885 0.05 1 961 494 247 LEU CA C 57.4078 0.05 1 962 494 247 LEU CB C 40.5912 0.05 1 963 494 247 LEU N N 119.7549 0.05 1 964 495 248 MET H H 7.5414 0.04 1 965 495 248 MET C C 175.9336 0.05 1 966 495 248 MET CA C 59.9629 0.05 1 967 495 248 MET CB C 29.9240 0.05 1 968 495 248 MET N N 118.7859 0.05 1 969 496 249 CYS H H 7.6289 0.04 1 970 496 249 CYS C C 178.3956 0.05 1 971 496 249 CYS CA C 63.1435 0.05 1 972 496 249 CYS CB C 25.9381 0.05 1 973 496 249 CYS N N 111.9622 0.05 1 974 497 250 GLN H H 7.5691 0.04 1 975 497 250 GLN C C 178.3193 0.05 1 976 497 250 GLN CA C 58.7180 0.05 1 977 497 250 GLN CB C 27.3311 0.05 1 978 497 250 GLN N N 121.0932 0.05 1 979 498 251 CYS H H 7.0324 0.04 1 980 498 251 CYS C C 173.6623 0.05 1 981 498 251 CYS CA C 62.5076 0.05 1 982 498 251 CYS CB C 25.2179 0.05 1 983 498 251 CYS N N 116.3796 0.05 1 984 499 252 TRP H H 6.5908 0.04 1 985 499 252 TRP C C 176.0975 0.05 1 986 499 252 TRP CA C 51.9501 0.05 1 987 499 252 TRP CB C 26.3623 0.05 1 988 499 252 TRP N N 112.0849 0.05 1 989 500 253 ARG H H 6.8508 0.04 1 990 500 253 ARG C C 177.6825 0.05 1 991 500 253 ARG CA C 56.1555 0.05 1 992 500 253 ARG CB C 28.4363 0.05 1 993 500 253 ARG N N 119.2901 0.05 1 994 501 254 LYS H H 8.8946 0.04 1 995 501 254 LYS CA C 60.2488 0.05 1 996 501 254 LYS N N 124.9193 0.05 1 997 503 256 PRO C C 178.5331 0.05 1 998 503 256 PRO CA C 64.5928 0.05 1 999 503 256 PRO CB C 31.6686 0.05 1 1000 504 257 GLU H H 8.3019 0.04 1 1001 504 257 GLU C C 178.1030 0.05 1 1002 504 257 GLU CA C 57.4000 0.05 1 1003 504 257 GLU CB C 28.2008 0.05 1 1004 504 257 GLU N N 111.8037 0.05 1 1005 505 258 GLU H H 7.7906 0.04 1 1006 505 258 GLU C C 176.9767 0.05 1 1007 505 258 GLU CA C 55.5807 0.05 1 1008 505 258 GLU CB C 29.9095 0.05 1 1009 505 258 GLU N N 116.0092 0.05 1 1010 506 259 ARG H H 7.3062 0.04 1 1011 506 259 ARG C C 174.2937 0.05 1 1012 506 259 ARG CA C 58.9145 0.05 1 1013 506 259 ARG CB C 28.9032 0.05 1 1014 506 259 ARG N N 120.0509 0.05 1 1015 507 260 PRO C C 173.9376 0.05 1 1016 507 260 PRO CA C 61.5950 0.05 1 1017 507 260 PRO CB C 32.0635 0.05 1 1018 508 261 THR H H 7.3791 0.04 1 1019 508 261 THR C C 176.7880 0.05 1 1020 508 261 THR CA C 59.0290 0.05 1 1021 508 261 THR CB C 70.0690 0.05 1 1022 508 261 THR N N 104.6901 0.05 1 1023 509 262 PHE H H 10.9579 0.04 1 1024 509 262 PHE C C 178.6146 0.05 1 1025 509 262 PHE CA C 63.5599 0.05 1 1026 509 262 PHE CB C 36.2805 0.05 1 1027 509 262 PHE N N 121.4528 0.05 1 1028 510 263 GLU H H 8.4441 0.04 1 1029 510 263 GLU C C 178.7764 0.05 1 1030 510 263 GLU CA C 59.6243 0.05 1 1031 510 263 GLU CB C 29.0835 0.05 1 1032 510 263 GLU N N 120.5909 0.05 1 1033 511 264 TYR H H 8.1874 0.04 1 1034 511 264 TYR C C 177.7073 0.05 1 1035 511 264 TYR CA C 61.0978 0.05 1 1036 511 264 TYR CB C 37.1985 0.05 1 1037 511 264 TYR N N 121.8419 0.05 1 1038 512 265 LEU H H 8.4626 0.04 1 1039 512 265 LEU C C 177.9887 0.05 1 1040 512 265 LEU CA C 57.9500 0.05 1 1041 512 265 LEU CB C 41.5478 0.05 1 1042 512 265 LEU N N 120.8456 0.05 1 1043 513 266 GLN H H 8.8837 0.04 1 1044 513 266 GLN C C 176.9823 0.05 1 1045 513 266 GLN CA C 59.9199 0.05 1 1046 513 266 GLN CB C 26.2134 0.05 1 1047 513 266 GLN N N 117.8275 0.05 1 1048 514 267 ALA H H 7.2984 0.04 1 1049 514 267 ALA C C 179.6656 0.05 1 1050 514 267 ALA CA C 54.6494 0.05 1 1051 514 267 ALA CB C 17.4154 0.05 1 1052 514 267 ALA N N 120.5377 0.05 1 1053 515 268 PHE H H 8.6408 0.04 1 1054 515 268 PHE C C 179.0085 0.05 1 1055 515 268 PHE CA C 60.4059 0.05 1 1056 515 268 PHE CB C 38.6995 0.05 1 1057 515 268 PHE N N 118.6942 0.05 1 1058 516 269 LEU H H 8.3100 0.04 1 1059 516 269 LEU C C 179.1165 0.05 1 1060 516 269 LEU CA C 57.0763 0.05 1 1061 516 269 LEU CB C 40.3705 0.05 1 1062 516 269 LEU N N 118.0730 0.05 1 1063 517 270 GLU H H 8.6922 0.04 1 1064 517 270 GLU C C 178.5984 0.05 1 1065 517 270 GLU CA C 59.3476 0.05 1 1066 517 270 GLU CB C 28.8591 0.05 1 1067 517 270 GLU N N 120.0069 0.05 1 1068 518 271 ASP H H 7.4500 0.04 1 1069 518 271 ASP C C 177.2673 0.05 1 1070 518 271 ASP CA C 53.6142 0.05 1 1071 518 271 ASP CB C 40.5368 0.05 1 1072 518 271 ASP N N 116.5416 0.05 1 1073 519 272 TYR H H 7.1839 0.04 1 1074 519 272 TYR C C 176.8941 0.05 1 1075 519 272 TYR CA C 62.6389 0.05 1 1076 519 272 TYR CB C 39.5575 0.05 1 1077 519 272 TYR N N 122.8922 0.05 1 1078 520 273 PHE H H 8.6949 0.04 1 1079 520 273 PHE C C 174.5543 0.05 1 1080 520 273 PHE CA C 59.8727 0.05 1 1081 520 273 PHE CB C 37.1480 0.05 1 1082 520 273 PHE N N 114.5297 0.05 1 1083 521 274 THR H H 7.7197 0.04 1 1084 521 274 THR C C 175.5654 0.05 1 1085 521 274 THR CA C 63.4785 0.05 1 1086 521 274 THR CB C 68.9143 0.05 1 1087 521 274 THR N N 112.9522 0.05 1 1088 524 277 GLU H H 7.8200 0.04 1 1089 524 277 GLU N N 118.8855 0.05 1 1090 525 278 PRO C C 177.7718 0.05 1 1091 525 278 PRO CA C 63.5530 0.05 1 1092 525 278 PRO CB C 31.0797 0.05 1 1093 526 279 GLN H H 8.4924 0.04 1 1094 526 279 GLN C C 175.5635 0.05 1 1095 526 279 GLN CA C 54.5480 0.05 1 1096 526 279 GLN CB C 27.7389 0.05 1 1097 526 279 GLN N N 118.6378 0.05 1 1098 527 280 TYR H H 7.7152 0.04 1 1099 527 280 TYR C C 174.9525 0.05 1 1100 527 280 TYR CA C 59.2128 0.05 1 1101 527 280 TYR CB C 38.4225 0.05 1 1102 527 280 TYR N N 122.0034 0.05 1 1103 528 281 GLN H H 7.7712 0.04 1 1104 528 281 GLN C C 172.2479 0.05 1 1105 528 281 GLN CA C 51.7420 0.05 1 1106 528 281 GLN CB C 29.8937 0.05 1 1107 528 281 GLN N N 126.8674 0.05 1 1108 532 285 ASN C C 173.7175 0.05 1 1109 532 285 ASN CA C 53.7248 0.05 1 1110 532 285 ASN CB C 40.3164 0.05 1 1111 533 286 LEU H H 7.9104 0.04 1 1112 533 286 LEU C C 181.5653 0.05 1 1113 533 286 LEU CA C 55.9624 0.05 1 1114 533 286 LEU CB C 44.5054 0.05 1 1115 533 286 LEU N N 125.3146 0.05 1 stop_ save_