data_7375 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone chemical shifts assignment of the soluble N-terminal region of the ATP7A ; _BMRB_accession_number 7375 _BMRB_flat_file_name bmr7375.str _Entry_type original _Submission_date 2007-03-07 _Accession_date 2007-03-07 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details ; Backbone assignment of the apo and copper-bound forms of the first 629 amino acids of ATP7A, comprising the six copper(I)-binding domains. ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Banci Lucia . . 2 Bertini Ivano . . 3 Cantini Francesca . . 4 'Della Malva' Nunzia . . 5 Migliardi Manuele . . 6 Rosato Antonio . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 372 "13C chemical shifts" 390 "15N chemical shifts" 373 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-10-24 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 15164 'ATP7A (apo form)' stop_ _Original_release_date 2007-10-24 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The different intermolecular interactions of the soluble copper-binding domains of the menkes protein, ATP7A.THE DIFFERENT INTERMOLECULAR INTERACTIONS OF THE SOLUBLE COPPER-BINDING DOMAINS OF THE MENKES PROTEIN, ATP7A' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17545667 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Banci Lucia . . 2 Bertini Ivano . . 3 Cantini Francesca . . 4 'Della Malva' Nunzia . . 5 Migliardi Manuele . . 6 Rosato Antonio . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 282 _Journal_issue 32 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 23140 _Page_last 23146 _Year 2007 _Details . loop_ _Keyword copper 'Menkes disease' 'metal homeostasis' metallochaperone stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ATP7A _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ATP7A $ATP7A 'COPPER (I) ION' $CU1 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_ATP7A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ATP7A _Molecular_mass 68620.7 _Mol_thiol_state 'all free' loop_ _Biological_function 'Copper pump' 'Menkes disease-associated protein' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 629 _Mol_residue_sequence ; MGVNSVTISVEGMTCNSCVW TIEQQIGKVNGVHHIKVSLE EKNATIIYDPKLQTPKTLQE AIDDMGFDAVIHNPDPLPVL TDTLFLTVTASLTLPWDHIQ STLLKTKGVTDIKIYPQKRT VAVTIIPSIVNANQIKELVP ELSLDTGTLEKKSGACEDHS MAQAGEVVLKMKVEGMTCHS CTSTIEGKIGKLQGVQRIKV SLDNQEATIVYQPHLISVEE MKKQIEAMGFPAFVKKQPKY LKLGAIDVERLKNTPVKSSE GSQQRSPSYTNDSTATFIID GMHCKSCVSNIESTLSALQY VSSIVVSLENRSAIVKYNAS SVTPESLRKAIEAVSPGLYR VSITSEVESTSNSPSSSSLQ KIPLNVVSQPLTQETVINID GMTCNSCVQSIEGVISKKPG VKSIRVSLANSNGTVEYDPL LTSPETLRGAIEDMGFDATL SDTNEPLVVIAQPSSEMPLL TSTNEFYTKGMTPVQDKEEG KNSSKCYIQVTGMTCASCVA NIERNLRREEGIYSILVALM AGKAEVRYNPAVIQPPMIAE FIRELGFGATVIENADEGDG VLELVVRGMTCASCVHKIES SLTKHRGILYCSVALATNKA HIKYDPEIIGPRDIIHTIES LGFEASLVK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 5 MET 2 6 GLY 3 7 VAL 4 8 ASN 5 9 SER 6 10 VAL 7 11 THR 8 12 ILE 9 13 SER 10 14 VAL 11 15 GLU 12 16 GLY 13 17 MET 14 18 THR 15 19 CYS 16 20 ASN 17 21 SER 18 22 CYS 19 23 VAL 20 24 TRP 21 25 THR 22 26 ILE 23 27 GLU 24 28 GLN 25 29 GLN 26 30 ILE 27 31 GLY 28 32 LYS 29 33 VAL 30 34 ASN 31 35 GLY 32 36 VAL 33 37 HIS 34 38 HIS 35 39 ILE 36 40 LYS 37 41 VAL 38 42 SER 39 43 LEU 40 44 GLU 41 45 GLU 42 46 LYS 43 47 ASN 44 48 ALA 45 49 THR 46 50 ILE 47 51 ILE 48 52 TYR 49 53 ASP 50 54 PRO 51 55 LYS 52 56 LEU 53 57 GLN 54 58 THR 55 59 PRO 56 60 LYS 57 61 THR 58 62 LEU 59 63 GLN 60 64 GLU 61 65 ALA 62 66 ILE 63 67 ASP 64 68 ASP 65 69 MET 66 70 GLY 67 71 PHE 68 72 ASP 69 73 ALA 70 74 VAL 71 75 ILE 72 76 HIS 73 77 ASN 74 78 PRO 75 79 ASP 76 80 PRO 77 81 LEU 78 82 PRO 79 83 VAL 80 84 LEU 81 85 THR 82 86 ASP 83 87 THR 84 88 LEU 85 89 PHE 86 90 LEU 87 91 THR 88 92 VAL 89 93 THR 90 94 ALA 91 95 SER 92 96 LEU 93 97 THR 94 98 LEU 95 99 PRO 96 100 TRP 97 101 ASP 98 102 HIS 99 103 ILE 100 104 GLN 101 105 SER 102 106 THR 103 107 LEU 104 108 LEU 105 109 LYS 106 110 THR 107 111 LYS 108 112 GLY 109 113 VAL 110 114 THR 111 115 ASP 112 116 ILE 113 117 LYS 114 118 ILE 115 119 TYR 116 120 PRO 117 121 GLN 118 122 LYS 119 123 ARG 120 124 THR 121 125 VAL 122 126 ALA 123 127 VAL 124 128 THR 125 129 ILE 126 130 ILE 127 131 PRO 128 132 SER 129 133 ILE 130 134 VAL 131 135 ASN 132 136 ALA 133 137 ASN 134 138 GLN 135 139 ILE 136 140 LYS 137 141 GLU 138 142 LEU 139 143 VAL 140 144 PRO 141 145 GLU 142 146 LEU 143 147 SER 144 148 LEU 145 149 ASP 146 150 THR 147 151 GLY 148 152 THR 149 153 LEU 150 154 GLU 151 155 LYS 152 156 LYS 153 157 SER 154 158 GLY 155 159 ALA 156 160 CYS 157 161 GLU 158 162 ASP 159 163 HIS 160 164 SER 161 165 MET 162 166 ALA 163 167 GLN 164 168 ALA 165 169 GLY 166 170 GLU 167 171 VAL 168 172 VAL 169 173 LEU 170 174 LYS 171 175 MET 172 176 LYS 173 177 VAL 174 178 GLU 175 179 GLY 176 180 MET 177 181 THR 178 182 CYS 179 183 HIS 180 184 SER 181 185 CYS 182 186 THR 183 187 SER 184 188 THR 185 189 ILE 186 190 GLU 187 191 GLY 188 192 LYS 189 193 ILE 190 194 GLY 191 195 LYS 192 196 LEU 193 197 GLN 194 198 GLY 195 199 VAL 196 200 GLN 197 201 ARG 198 202 ILE 199 203 LYS 200 204 VAL 201 205 SER 202 206 LEU 203 207 ASP 204 208 ASN 205 209 GLN 206 210 GLU 207 211 ALA 208 212 THR 209 213 ILE 210 214 VAL 211 215 TYR 212 216 GLN 213 217 PRO 214 218 HIS 215 219 LEU 216 220 ILE 217 221 SER 218 222 VAL 219 223 GLU 220 224 GLU 221 225 MET 222 226 LYS 223 227 LYS 224 228 GLN 225 229 ILE 226 230 GLU 227 231 ALA 228 232 MET 229 233 GLY 230 234 PHE 231 235 PRO 232 236 ALA 233 237 PHE 234 238 VAL 235 239 LYS 236 240 LYS 237 241 GLN 238 242 PRO 239 243 LYS 240 244 TYR 241 245 LEU 242 246 LYS 243 247 LEU 244 248 GLY 245 249 ALA 246 250 ILE 247 251 ASP 248 252 VAL 249 253 GLU 250 254 ARG 251 255 LEU 252 256 LYS 253 257 ASN 254 258 THR 255 259 PRO 256 260 VAL 257 261 LYS 258 262 SER 259 263 SER 260 264 GLU 261 265 GLY 262 266 SER 263 267 GLN 264 268 GLN 265 269 ARG 266 270 SER 267 271 PRO 268 272 SER 269 273 TYR 270 274 THR 271 275 ASN 272 276 ASP 273 277 SER 274 278 THR 275 279 ALA 276 280 THR 277 281 PHE 278 282 ILE 279 283 ILE 280 284 ASP 281 285 GLY 282 286 MET 283 287 HIS 284 288 CYS 285 289 LYS 286 290 SER 287 291 CYS 288 292 VAL 289 293 SER 290 294 ASN 291 295 ILE 292 296 GLU 293 297 SER 294 298 THR 295 299 LEU 296 300 SER 297 301 ALA 298 302 LEU 299 303 GLN 300 304 TYR 301 305 VAL 302 306 SER 303 307 SER 304 308 ILE 305 309 VAL 306 310 VAL 307 311 SER 308 312 LEU 309 313 GLU 310 314 ASN 311 315 ARG 312 316 SER 313 317 ALA 314 318 ILE 315 319 VAL 316 320 LYS 317 321 TYR 318 322 ASN 319 323 ALA 320 324 SER 321 325 SER 322 326 VAL 323 327 THR 324 328 PRO 325 329 GLU 326 330 SER 327 331 LEU 328 332 ARG 329 333 LYS 330 334 ALA 331 335 ILE 332 336 GLU 333 337 ALA 334 338 VAL 335 339 SER 336 340 PRO 337 341 GLY 338 342 LEU 339 343 TYR 340 344 ARG 341 345 VAL 342 346 SER 343 347 ILE 344 348 THR 345 349 SER 346 350 GLU 347 351 VAL 348 352 GLU 349 353 SER 350 354 THR 351 355 SER 352 356 ASN 353 357 SER 354 358 PRO 355 359 SER 356 360 SER 357 361 SER 358 362 SER 359 363 LEU 360 364 GLN 361 365 LYS 362 366 ILE 363 367 PRO 364 368 LEU 365 369 ASN 366 370 VAL 367 371 VAL 368 372 SER 369 373 GLN 370 374 PRO 371 375 LEU 372 376 THR 373 377 GLN 374 378 GLU 375 379 THR 376 380 VAL 377 381 ILE 378 382 ASN 379 383 ILE 380 384 ASP 381 385 GLY 382 386 MET 383 387 THR 384 388 CYS 385 389 ASN 386 390 SER 387 391 CYS 388 392 VAL 389 393 GLN 390 394 SER 391 395 ILE 392 396 GLU 393 397 GLY 394 398 VAL 395 399 ILE 396 400 SER 397 401 LYS 398 402 LYS 399 403 PRO 400 404 GLY 401 405 VAL 402 406 LYS 403 407 SER 404 408 ILE 405 409 ARG 406 410 VAL 407 411 SER 408 412 LEU 409 413 ALA 410 414 ASN 411 415 SER 412 416 ASN 413 417 GLY 414 418 THR 415 419 VAL 416 420 GLU 417 421 TYR 418 422 ASP 419 423 PRO 420 424 LEU 421 425 LEU 422 426 THR 423 427 SER 424 428 PRO 425 429 GLU 426 430 THR 427 431 LEU 428 432 ARG 429 433 GLY 430 434 ALA 431 435 ILE 432 436 GLU 433 437 ASP 434 438 MET 435 439 GLY 436 440 PHE 437 441 ASP 438 442 ALA 439 443 THR 440 444 LEU 441 445 SER 442 446 ASP 443 447 THR 444 448 ASN 445 449 GLU 446 450 PRO 447 451 LEU 448 452 VAL 449 453 VAL 450 454 ILE 451 455 ALA 452 456 GLN 453 457 PRO 454 458 SER 455 459 SER 456 460 GLU 457 461 MET 458 462 PRO 459 463 LEU 460 464 LEU 461 465 THR 462 466 SER 463 467 THR 464 468 ASN 465 469 GLU 466 470 PHE 467 471 TYR 468 472 THR 469 473 LYS 470 474 GLY 471 475 MET 472 476 THR 473 477 PRO 474 478 VAL 475 479 GLN 476 480 ASP 477 481 LYS 478 482 GLU 479 483 GLU 480 484 GLY 481 485 LYS 482 486 ASN 483 487 SER 484 488 SER 485 489 LYS 486 490 CYS 487 491 TYR 488 492 ILE 489 493 GLN 490 494 VAL 491 495 THR 492 496 GLY 493 497 MET 494 498 THR 495 499 CYS 496 500 ALA 497 501 SER 498 502 CYS 499 503 VAL 500 504 ALA 501 505 ASN 502 506 ILE 503 507 GLU 504 508 ARG 505 509 ASN 506 510 LEU 507 511 ARG 508 512 ARG 509 513 GLU 510 514 GLU 511 515 GLY 512 516 ILE 513 517 TYR 514 518 SER 515 519 ILE 516 520 LEU 517 521 VAL 518 522 ALA 519 523 LEU 520 524 MET 521 525 ALA 522 526 GLY 523 527 LYS 524 528 ALA 525 529 GLU 526 530 VAL 527 531 ARG 528 532 TYR 529 533 ASN 530 534 PRO 531 535 ALA 532 536 VAL 533 537 ILE 534 538 GLN 535 539 PRO 536 540 PRO 537 541 MET 538 542 ILE 539 543 ALA 540 544 GLU 541 545 PHE 542 546 ILE 543 547 ARG 544 548 GLU 545 549 LEU 546 550 GLY 547 551 PHE 548 552 GLY 549 553 ALA 550 554 THR 551 555 VAL 552 556 ILE 553 557 GLU 554 558 ASN 555 559 ALA 556 560 ASP 557 561 GLU 558 562 GLY 559 563 ASP 560 564 GLY 561 565 VAL 562 566 LEU 563 567 GLU 564 568 LEU 565 569 VAL 566 570 VAL 567 571 ARG 568 572 GLY 569 573 MET 570 574 THR 571 575 CYS 572 576 ALA 573 577 SER 574 578 CYS 575 579 VAL 576 580 HIS 577 581 LYS 578 582 ILE 579 583 GLU 580 584 SER 581 585 SER 582 586 LEU 583 587 THR 584 588 LYS 585 589 HIS 586 590 ARG 587 591 GLY 588 592 ILE 589 593 LEU 590 594 TYR 591 595 CYS 592 596 SER 593 597 VAL 594 598 ALA 595 599 LEU 596 600 ALA 597 601 THR 598 602 ASN 599 603 LYS 600 604 ALA 601 605 HIS 602 606 ILE 603 607 LYS 604 608 TYR 605 609 ASP 606 610 PRO 607 611 GLU 608 612 ILE 609 613 ILE 610 614 GLY 611 615 PRO 612 616 ARG 613 617 ASP 614 618 ILE 615 619 ILE 616 620 HIS 617 621 THR 618 622 ILE 619 623 GLU 620 624 SER 621 625 LEU 622 626 GLY 623 627 PHE 624 628 GLU 625 629 ALA 626 630 SER 627 631 LEU 628 632 VAL 629 633 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-12 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 BMRB 15164 ATP7A 100.00 629 100.00 100.00 0.00e+00 stop_ save_ ############# # Ligands # ############# save_CU1 _Saveframe_category ligand _Mol_type non-polymer _Name_common "CU1 (COPPER (I) ION)" _BMRB_code . _PDB_code CU1 _Molecular_mass 63.546 _Mol_charge 1 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Fri Oct 14 12:54:33 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CU CU CU . 1 . ? 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 $ATP7A Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $ATP7A 'recombinant technology' . Escherichia coli 'BL21(DE3) rosetta' pDEST17 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ATP7A 0.3 mM '[U-99% 13C; U-99% 15N]' DTT 1 mM 'natural abundance' 'potassium phosphate' 50 mM 'natural abundance' 'tetrakis(acetonitrile)copper(I) hexafluorophosphate' 1.8 mM 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ATP7A 0.7 mM '[U-100% 15N]' DTT 1 mM 'natural abundance' 'potassium phosphate' 50 mM 'natural abundance' 'tetrakis(acetonitrile)copper(I) hexafluorophosphate' 4.2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CARA _Saveframe_category software _Name CARA _Version 1.5.3 loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . 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 900 _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_3 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_4 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_4 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_4 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_4 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'These are the conditions for all the samples' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label dioxane C 13 'methylene carbons' ppm 69.46 external direct . . . 1.000000000 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 $entry_citation $entry_citation 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_Cu(I)form _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '3D CBCA(CO)NH' '3D HNCA' '3D HN(CO)CA' stop_ loop_ _Sample_label $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ATP7A _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 10 6 VAL H H 9.316 0.040 1 2 10 6 VAL CA C 60.078 0.450 1 3 10 6 VAL N N 123.810 0.450 1 4 11 7 THR H H 8.501 0.040 1 5 11 7 THR CA C 61.748 0.450 1 6 11 7 THR N N 122.862 0.450 1 7 12 8 ILE H H 9.323 0.040 1 8 12 8 ILE N N 128.275 0.450 1 9 14 10 VAL H H 8.348 0.040 1 10 14 10 VAL CA C 61.990 0.450 1 11 14 10 VAL N N 125.480 0.450 1 12 15 11 GLU H H 8.962 0.040 1 13 15 11 GLU CA C 54.912 0.450 1 14 15 11 GLU N N 127.017 0.450 1 15 16 12 GLY H H 8.504 0.040 1 16 16 12 GLY CA C 44.909 0.450 1 17 16 12 GLY N N 108.131 0.450 1 18 18 14 THR H H 9.261 0.040 1 19 18 14 THR CA C 61.961 0.450 1 20 18 14 THR N N 114.586 0.450 1 21 22 18 CYS H H 8.183 0.040 1 22 22 18 CYS CA C 63.844 0.450 1 23 22 18 CYS N N 126.653 0.450 1 24 23 19 VAL H H 6.399 0.040 1 25 23 19 VAL CA C 65.956 0.450 1 26 23 19 VAL N N 117.119 0.450 1 27 24 20 TRP H H 7.662 0.040 1 28 24 20 TRP CA C 60.067 0.450 1 29 24 20 TRP N N 117.598 0.450 1 30 25 21 THR H H 8.259 0.040 1 31 25 21 THR CA C 67.290 0.450 1 32 25 21 THR N N 115.156 0.450 1 33 26 22 ILE H H 7.771 0.040 1 34 26 22 ILE CA C 66.322 0.450 1 35 26 22 ILE N N 121.039 0.450 1 36 27 23 GLU CA C 60.318 0.450 1 37 28 24 GLN H H 8.520 0.040 1 38 28 24 GLN CA C 58.168 0.450 1 39 28 24 GLN N N 117.597 0.450 1 40 29 25 GLN CA C 58.854 0.450 1 41 30 26 ILE H H 8.599 0.040 1 42 30 26 ILE CA C 60.408 0.450 1 43 30 26 ILE N N 118.657 0.450 1 44 31 27 GLY H H 7.405 0.040 1 45 31 27 GLY CA C 46.274 0.450 1 46 31 27 GLY N N 104.494 0.450 1 47 32 28 LYS H H 6.710 0.040 1 48 32 28 LYS CA C 56.093 0.450 1 49 32 28 LYS N N 115.426 0.450 1 50 33 29 VAL H H 7.470 0.040 1 51 33 29 VAL CA C 63.489 0.450 1 52 33 29 VAL N N 124.409 0.450 1 53 34 30 ASN H H 8.654 0.040 1 54 34 30 ASN CA C 54.879 0.450 1 55 34 30 ASN N N 127.005 0.450 1 56 35 31 GLY H H 8.734 0.040 1 57 35 31 GLY CA C 45.806 0.450 1 58 35 31 GLY N N 112.629 0.450 1 59 41 37 VAL H H 10.228 0.040 1 60 41 37 VAL CA C 61.154 0.450 1 61 41 37 VAL N N 133.164 0.450 1 62 42 38 SER H H 8.692 0.040 1 63 42 38 SER CA C 54.852 0.450 1 64 42 38 SER N N 120.115 0.450 1 65 43 39 LEU H H 9.024 0.040 1 66 43 39 LEU CA C 57.749 0.450 1 67 43 39 LEU N N 130.623 0.450 1 68 44 40 GLU H H 8.714 0.040 1 69 44 40 GLU CA C 60.076 0.450 1 70 44 40 GLU N N 118.247 0.450 1 71 45 41 GLU H H 7.841 0.040 1 72 45 41 GLU CA C 55.778 0.450 1 73 45 41 GLU N N 114.572 0.450 1 74 46 42 LYS H H 7.455 0.040 1 75 46 42 LYS CA C 56.913 0.450 1 76 46 42 LYS N N 117.406 0.450 1 77 47 43 ASN H H 8.045 0.040 1 78 47 43 ASN CA C 51.959 0.450 1 79 47 43 ASN N N 114.311 0.450 1 80 48 44 ALA H H 8.947 0.040 1 81 48 44 ALA CA C 50.383 0.450 1 82 48 44 ALA N N 118.478 0.450 1 83 49 45 THR H H 8.730 0.040 1 84 49 45 THR CA C 62.702 0.450 1 85 49 45 THR N N 120.793 0.450 1 86 50 46 ILE H H 9.177 0.040 1 87 50 46 ILE CA C 60.511 0.450 1 88 50 46 ILE N N 128.679 0.450 1 89 55 51 LYS H H 8.674 0.040 1 90 55 51 LYS CA C 57.928 0.450 1 91 55 51 LYS N N 119.162 0.450 1 92 56 52 LEU H H 7.834 0.040 1 93 56 52 LEU CA C 55.168 0.450 1 94 56 52 LEU N N 117.741 0.450 1 95 57 53 GLN H H 8.036 0.040 1 96 57 53 GLN CA C 52.791 0.450 1 97 57 53 GLN N N 116.124 0.450 1 98 58 54 THR H H 8.339 0.040 1 99 58 54 THR CA C 57.062 0.450 1 100 58 54 THR N N 108.242 0.450 1 101 59 55 PRO CA C 66.441 0.450 1 102 60 56 LYS H H 7.402 0.040 1 103 60 56 LYS CA C 58.951 0.450 1 104 60 56 LYS N N 113.832 0.450 1 105 61 57 THR H H 7.972 0.040 1 106 61 57 THR CA C 65.645 0.450 1 107 61 57 THR N N 112.158 0.450 1 108 62 58 LEU H H 7.839 0.040 1 109 62 58 LEU CA C 57.809 0.450 1 110 62 58 LEU N N 125.791 0.450 1 111 63 59 GLN H H 8.195 0.040 1 112 63 59 GLN CA C 59.871 0.450 1 113 63 59 GLN N N 120.023 0.450 1 114 64 60 GLU H H 8.311 0.040 1 115 64 60 GLU CA C 59.316 0.450 1 116 64 60 GLU N N 118.164 0.450 1 117 65 61 ALA H H 7.520 0.040 1 118 65 61 ALA CA C 54.860 0.450 1 119 65 61 ALA N N 120.944 0.450 1 120 66 62 ILE H H 7.431 0.040 1 121 66 62 ILE CA C 66.087 0.450 1 122 66 62 ILE N N 118.797 0.450 1 123 67 63 ASP H H 8.480 0.040 1 124 67 63 ASP CA C 56.704 0.450 1 125 67 63 ASP N N 123.414 0.450 1 126 68 64 ASP H H 8.291 0.040 1 127 68 64 ASP CA C 56.588 0.450 1 128 68 64 ASP N N 119.290 0.450 1 129 69 65 MET H H 7.593 0.040 1 130 69 65 MET CA C 56.768 0.450 1 131 69 65 MET N N 116.165 0.450 1 132 70 66 GLY H H 8.031 0.040 1 133 70 66 GLY CA C 44.770 0.450 1 134 70 66 GLY N N 105.501 0.450 1 135 71 67 PHE H H 6.659 0.040 1 136 71 67 PHE CA C 56.961 0.450 1 137 71 67 PHE N N 118.811 0.450 1 138 72 68 ASP H H 7.903 0.040 1 139 72 68 ASP CA C 53.871 0.450 1 140 72 68 ASP N N 118.397 0.450 1 141 73 69 ALA H H 9.196 0.040 1 142 73 69 ALA CA C 50.193 0.450 1 143 73 69 ALA N N 129.412 0.450 1 144 74 70 VAL H H 8.725 0.040 1 145 74 70 VAL CA C 61.354 0.450 1 146 74 70 VAL N N 122.195 0.450 1 147 149 145 ASP CA C 54.087 0.450 1 148 150 146 THR H H 8.313 0.040 1 149 150 146 THR CA C 62.153 0.450 1 150 150 146 THR N N 115.615 0.450 1 151 151 147 GLY H H 8.497 0.040 1 152 151 147 GLY CA C 45.648 0.450 1 153 151 147 GLY N N 111.185 0.450 1 154 152 148 THR H H 7.923 0.040 1 155 152 148 THR CA C 62.061 0.450 1 156 152 148 THR N N 113.762 0.450 1 157 153 149 LEU H H 8.116 0.040 1 158 153 149 LEU CA C 55.396 0.450 1 159 153 149 LEU N N 124.234 0.450 1 160 166 162 ALA H H 8.065 0.040 1 161 166 162 ALA CA C 52.527 0.450 1 162 166 162 ALA N N 124.533 0.450 1 163 168 164 ALA H H 8.818 0.040 1 164 168 164 ALA CA C 52.886 0.450 1 165 168 164 ALA N N 118.687 0.450 1 166 169 165 GLY H H 8.351 0.040 1 167 169 165 GLY CA C 45.381 0.450 1 168 169 165 GLY N N 108.881 0.450 1 169 170 166 GLU H H 8.160 0.040 1 170 170 166 GLU CA C 58.505 0.450 1 171 170 166 GLU N N 115.545 0.450 1 172 172 168 VAL CA C 60.886 0.450 1 173 173 169 LEU H H 9.767 0.040 1 174 173 169 LEU CA C 53.389 0.450 1 175 173 169 LEU N N 131.865 0.450 1 176 174 170 LYS H H 8.680 0.040 1 177 174 170 LYS CA C 54.323 0.450 1 178 174 170 LYS N N 124.122 0.450 1 179 175 171 MET H H 8.927 0.040 1 180 175 171 MET CA C 53.692 0.450 1 181 175 171 MET N N 120.085 0.450 1 182 176 172 LYS H H 9.208 0.040 1 183 176 172 LYS CA C 55.715 0.450 1 184 176 172 LYS N N 126.643 0.450 1 185 177 173 VAL H H 7.904 0.040 1 186 177 173 VAL CA C 61.437 0.450 1 187 177 173 VAL N N 126.279 0.450 1 188 178 174 GLU H H 9.071 0.040 1 189 178 174 GLU CA C 55.619 0.450 1 190 178 174 GLU N N 126.687 0.450 1 191 179 175 GLY H H 8.199 0.040 1 192 179 175 GLY CA C 45.721 0.450 1 193 179 175 GLY N N 102.936 0.450 1 194 180 176 MET H H 8.923 0.040 1 195 180 176 MET CA C 56.325 0.450 1 196 180 176 MET N N 119.819 0.450 1 197 181 177 THR H H 9.146 0.040 1 198 181 177 THR CA C 62.043 0.450 1 199 181 177 THR N N 113.986 0.450 1 200 182 178 CYS H H 8.048 0.040 1 201 182 178 CYS CA C 57.194 0.450 1 202 182 178 CYS N N 118.078 0.450 1 203 184 180 SER H H 9.465 0.040 1 204 184 180 SER CA C 62.558 0.450 1 205 184 180 SER N N 120.670 0.450 1 206 185 181 CYS H H 8.186 0.040 1 207 185 181 CYS CA C 63.769 0.450 1 208 185 181 CYS N N 126.191 0.450 1 209 186 182 THR H H 6.902 0.040 1 210 186 182 THR CA C 65.286 0.450 1 211 186 182 THR N N 107.408 0.450 1 212 187 183 SER H H 7.613 0.040 1 213 187 183 SER CA C 61.364 0.450 1 214 187 183 SER N N 117.442 0.450 1 215 190 186 GLU H H 8.289 0.040 1 216 190 186 GLU CA C 59.930 0.450 1 217 190 186 GLU N N 117.408 0.450 1 218 191 187 GLY H H 8.360 0.040 1 219 191 187 GLY CA C 46.749 0.450 1 220 191 187 GLY N N 106.095 0.450 1 221 192 188 LYS H H 7.544 0.040 1 222 192 188 LYS CA C 58.420 0.450 1 223 192 188 LYS N N 118.838 0.450 1 224 193 189 ILE H H 8.382 0.040 1 225 193 189 ILE CA C 60.373 0.450 1 226 193 189 ILE N N 117.480 0.450 1 227 194 190 GLY H H 7.699 0.040 1 228 194 190 GLY CA C 46.064 0.450 1 229 194 190 GLY N N 103.016 0.450 1 230 195 191 LYS H H 6.588 0.040 1 231 195 191 LYS CA C 55.695 0.450 1 232 195 191 LYS N N 114.978 0.450 1 233 196 192 LEU H H 7.414 0.040 1 234 196 192 LEU CA C 54.826 0.450 1 235 196 192 LEU N N 121.256 0.450 1 236 197 193 GLN H H 8.617 0.040 1 237 197 193 GLN CA C 57.500 0.450 1 238 197 193 GLN N N 124.383 0.450 1 239 198 194 GLY H H 8.587 0.040 1 240 198 194 GLY CA C 45.979 0.450 1 241 198 194 GLY N N 110.471 0.450 1 242 199 195 VAL H H 7.653 0.040 1 243 199 195 VAL CA C 63.943 0.450 1 244 199 195 VAL N N 120.679 0.450 1 245 200 196 GLN H H 9.141 0.040 1 246 200 196 GLN CA C 56.415 0.450 1 247 200 196 GLN N N 127.640 0.450 1 248 201 197 ARG H H 7.734 0.040 1 249 201 197 ARG CA C 55.426 0.450 1 250 201 197 ARG N N 115.572 0.450 1 251 202 198 ILE H H 8.542 0.040 1 252 202 198 ILE CA C 58.831 0.450 1 253 202 198 ILE N N 119.578 0.450 1 254 203 199 LYS H H 8.350 0.040 1 255 203 199 LYS CA C 53.867 0.450 1 256 203 199 LYS N N 126.620 0.450 1 257 204 200 VAL H H 10.241 0.040 1 258 204 200 VAL CA C 61.356 0.450 1 259 204 200 VAL N N 129.349 0.450 1 260 205 201 SER H H 8.732 0.040 1 261 205 201 SER CA C 55.270 0.450 1 262 205 201 SER N N 120.843 0.450 1 263 206 202 LEU H H 9.101 0.040 1 264 206 202 LEU CA C 57.720 0.450 1 265 206 202 LEU N N 130.625 0.450 1 266 207 203 ASP H H 8.384 0.040 1 267 207 203 ASP CA C 57.046 0.450 1 268 207 203 ASP N N 117.376 0.450 1 269 208 204 ASN H H 7.639 0.040 1 270 208 204 ASN CA C 52.203 0.450 1 271 208 204 ASN N N 112.825 0.450 1 272 209 205 GLN H H 7.555 0.040 1 273 209 205 GLN CA C 56.978 0.450 1 274 209 205 GLN N N 117.495 0.450 1 275 210 206 GLU H H 7.580 0.040 1 276 210 206 GLU CA C 54.710 0.450 1 277 210 206 GLU N N 115.150 0.450 1 278 211 207 ALA H H 9.444 0.040 1 279 211 207 ALA CA C 49.832 0.450 1 280 211 207 ALA N N 127.368 0.450 1 281 212 208 THR H H 8.964 0.040 1 282 212 208 THR CA C 62.822 0.450 1 283 212 208 THR N N 120.446 0.450 1 284 213 209 ILE H H 9.554 0.040 1 285 213 209 ILE CA C 60.458 0.450 1 286 213 209 ILE N N 129.357 0.450 1 287 214 210 VAL H H 8.962 0.040 1 288 214 210 VAL CA C 61.338 0.450 1 289 214 210 VAL N N 128.171 0.450 1 290 215 211 TYR H H 9.399 0.040 1 291 215 211 TYR CA C 54.837 0.450 1 292 215 211 TYR N N 126.472 0.450 1 293 216 212 GLN H H 8.717 0.040 1 294 216 212 GLN CA C 51.953 0.450 1 295 216 212 GLN N N 119.316 0.450 1 296 217 213 PRO CA C 63.706 0.450 1 297 218 214 HIS H H 8.295 0.040 1 298 218 214 HIS CA C 57.563 0.450 1 299 218 214 HIS N N 113.913 0.450 1 300 219 215 LEU H H 7.651 0.040 1 301 219 215 LEU CA C 54.874 0.450 1 302 219 215 LEU N N 119.703 0.450 1 303 220 216 ILE H H 7.843 0.040 1 304 220 216 ILE CA C 60.569 0.450 1 305 220 216 ILE N N 119.917 0.450 1 306 221 217 SER H H 7.435 0.040 1 307 221 217 SER CA C 55.465 0.450 1 308 221 217 SER N N 117.050 0.450 1 309 222 218 VAL H H 8.401 0.040 1 310 222 218 VAL CA C 66.832 0.450 1 311 222 218 VAL N N 120.919 0.450 1 312 223 219 GLU H H 8.516 0.040 1 313 223 219 GLU CA C 60.358 0.450 1 314 223 219 GLU N N 117.656 0.450 1 315 224 220 GLU H H 7.766 0.040 1 316 224 220 GLU CA C 58.821 0.450 1 317 224 220 GLU N N 120.163 0.450 1 318 225 221 MET H H 7.462 0.040 1 319 225 221 MET CA C 58.459 0.450 1 320 225 221 MET N N 117.939 0.450 1 321 226 222 LYS H H 8.341 0.040 1 322 226 222 LYS CA C 60.528 0.450 1 323 226 222 LYS N N 118.178 0.450 1 324 227 223 LYS H H 7.979 0.040 1 325 227 223 LYS CA C 59.402 0.450 1 326 227 223 LYS N N 117.616 0.450 1 327 228 224 GLN H H 7.906 0.040 1 328 228 224 GLN CA C 58.712 0.450 1 329 228 224 GLN N N 117.549 0.450 1 330 229 225 ILE H H 7.804 0.040 1 331 229 225 ILE CA C 66.689 0.450 1 332 229 225 ILE N N 121.348 0.450 1 333 230 226 GLU H H 8.401 0.040 1 334 230 226 GLU CA C 59.250 0.450 1 335 230 226 GLU N N 119.325 0.450 1 336 231 227 ALA H H 8.182 0.040 1 337 231 227 ALA CA C 54.225 0.450 1 338 231 227 ALA N N 122.546 0.450 1 339 232 228 MET H H 7.475 0.040 1 340 232 228 MET CA C 56.599 0.450 1 341 232 228 MET N N 115.381 0.450 1 342 233 229 GLY H H 7.777 0.040 1 343 233 229 GLY CA C 44.165 0.450 1 344 233 229 GLY N N 104.500 0.450 1 345 234 230 PHE H H 6.720 0.040 1 346 234 230 PHE CA C 54.394 0.450 1 347 234 230 PHE N N 120.886 0.450 1 348 235 231 PRO CA C 63.463 0.450 1 349 236 232 ALA H H 7.999 0.040 1 350 236 232 ALA CA C 50.245 0.450 1 351 236 232 ALA N N 124.326 0.450 1 352 237 233 PHE H H 8.652 0.040 1 353 237 233 PHE CA C 56.064 0.450 1 354 237 233 PHE N N 116.719 0.450 1 355 238 234 VAL H H 8.901 0.040 1 356 238 234 VAL CA C 64.248 0.450 1 357 238 234 VAL N N 124.564 0.450 1 358 239 235 LYS H H 8.487 0.040 1 359 239 235 LYS CA C 56.590 0.450 1 360 239 235 LYS N N 128.442 0.450 1 361 278 274 THR H H 8.201 0.040 1 362 278 274 THR CA C 61.883 0.450 1 363 278 274 THR N N 115.692 0.450 1 364 279 275 ALA H H 9.590 0.040 1 365 279 275 ALA CA C 50.720 0.450 1 366 279 275 ALA N N 130.604 0.450 1 367 280 276 THR H H 8.250 0.040 1 368 280 276 THR CA C 60.792 0.450 1 369 280 276 THR N N 114.307 0.450 1 370 281 277 PHE H H 8.916 0.040 1 371 281 277 PHE CA C 55.900 0.450 1 372 281 277 PHE N N 121.068 0.450 1 373 282 278 ILE H H 8.955 0.040 1 374 282 278 ILE CA C 59.133 0.450 1 375 282 278 ILE N N 122.986 0.450 1 376 283 279 ILE H H 8.654 0.040 1 377 283 279 ILE CA C 60.403 0.450 1 378 283 279 ILE N N 126.692 0.450 1 379 284 280 ASP H H 8.838 0.040 1 380 284 280 ASP CA C 54.191 0.450 1 381 284 280 ASP N N 127.395 0.450 1 382 285 281 GLY H H 8.337 0.040 1 383 285 281 GLY CA C 44.944 0.450 1 384 285 281 GLY N N 110.628 0.450 1 385 289 285 LYS CA C 59.385 0.450 1 386 290 286 SER H H 9.332 0.040 1 387 290 286 SER N N 120.144 0.450 1 388 291 287 CYS H H 7.968 0.040 1 389 291 287 CYS CA C 64.567 0.450 1 390 291 287 CYS N N 124.545 0.450 1 391 292 288 VAL H H 6.427 0.040 1 392 292 288 VAL CA C 66.542 0.450 1 393 292 288 VAL N N 116.373 0.450 1 394 293 289 SER H H 7.592 0.040 1 395 293 289 SER CA C 61.177 0.450 1 396 293 289 SER N N 111.692 0.450 1 397 294 290 ASN H H 8.547 0.040 1 398 294 290 ASN CA C 55.854 0.450 1 399 294 290 ASN N N 121.321 0.450 1 400 295 291 ILE H H 8.196 0.040 1 401 295 291 ILE CA C 66.697 0.450 1 402 295 291 ILE N N 122.147 0.450 1 403 296 292 GLU H H 8.564 0.040 1 404 296 292 GLU CA C 60.728 0.450 1 405 296 292 GLU N N 117.506 0.450 1 406 297 293 SER H H 8.758 0.040 1 407 297 293 SER CA C 61.943 0.450 1 408 297 293 SER N N 115.015 0.450 1 409 298 294 THR H H 7.615 0.040 1 410 298 294 THR CA C 66.878 0.450 1 411 298 294 THR N N 118.176 0.450 1 412 299 295 LEU H H 7.907 0.040 1 413 299 295 LEU CA C 57.180 0.450 1 414 299 295 LEU N N 122.159 0.450 1 415 300 296 SER H H 8.019 0.040 1 416 300 296 SER CA C 61.440 0.450 1 417 300 296 SER N N 111.240 0.450 1 418 301 297 ALA H H 6.733 0.040 1 419 301 297 ALA CA C 52.499 0.450 1 420 301 297 ALA N N 120.266 0.450 1 421 306 302 SER CA C 58.589 0.450 1 422 307 303 SER H H 7.603 0.040 1 423 307 303 SER CA C 57.941 0.450 1 424 307 303 SER N N 113.930 0.450 1 425 308 304 ILE H H 8.396 0.040 1 426 308 304 ILE CA C 59.137 0.450 1 427 308 304 ILE N N 120.941 0.450 1 428 309 305 VAL H H 8.186 0.040 1 429 309 305 VAL CA C 61.028 0.450 1 430 309 305 VAL N N 125.653 0.450 1 431 310 306 VAL H H 9.719 0.040 1 432 310 306 VAL CA C 60.640 0.450 1 433 310 306 VAL N N 131.621 0.450 1 434 311 307 SER H H 8.783 0.040 1 435 311 307 SER CA C 55.048 0.450 1 436 311 307 SER N N 120.819 0.450 1 437 312 308 LEU H H 8.960 0.040 1 438 312 308 LEU CA C 57.810 0.450 1 439 312 308 LEU N N 130.175 0.450 1 440 313 309 GLU H H 8.886 0.040 1 441 313 309 GLU CA C 60.014 0.450 1 442 313 309 GLU N N 117.930 0.450 1 443 314 310 ASN H H 7.622 0.040 1 444 314 310 ASN CA C 52.436 0.450 1 445 314 310 ASN N N 113.262 0.450 1 446 315 311 ARG H H 7.646 0.040 1 447 315 311 ARG CA C 57.182 0.450 1 448 315 311 ARG N N 117.991 0.450 1 449 316 312 SER H H 7.925 0.040 1 450 316 312 SER CA C 56.183 0.450 1 451 316 312 SER N N 108.807 0.450 1 452 317 313 ALA H H 8.674 0.040 1 453 317 313 ALA CA C 50.573 0.450 1 454 317 313 ALA N N 119.309 0.450 1 455 318 314 ILE H H 8.550 0.040 1 456 318 314 ILE CA C 61.044 0.450 1 457 318 314 ILE N N 122.148 0.450 1 458 319 315 VAL H H 9.493 0.040 1 459 319 315 VAL CA C 60.955 0.450 1 460 319 315 VAL N N 129.615 0.450 1 461 322 318 ASN H H 8.232 0.040 1 462 322 318 ASN CA C 52.036 0.450 1 463 322 318 ASN N N 117.455 0.450 1 464 323 319 ALA H H 8.580 0.040 1 465 323 319 ALA CA C 53.596 0.450 1 466 323 319 ALA N N 129.513 0.450 1 467 324 320 SER H H 8.307 0.040 1 468 324 320 SER CA C 60.420 0.450 1 469 324 320 SER N N 112.571 0.450 1 470 328 324 PRO CA C 65.885 0.450 1 471 329 325 GLU H H 8.030 0.040 1 472 329 325 GLU CA C 58.698 0.450 1 473 329 325 GLU N N 117.295 0.450 1 474 330 326 SER CA C 61.833 0.450 1 475 331 327 LEU H H 7.568 0.040 1 476 331 327 LEU CA C 57.503 0.450 1 477 331 327 LEU N N 122.274 0.450 1 478 332 328 ARG H H 8.414 0.040 1 479 332 328 ARG CA C 59.874 0.450 1 480 332 328 ARG N N 120.891 0.450 1 481 333 329 LYS H H 7.758 0.040 1 482 333 329 LYS CA C 59.202 0.450 1 483 333 329 LYS N N 116.363 0.450 1 484 334 330 ALA H H 7.843 0.040 1 485 334 330 ALA CA C 54.808 0.450 1 486 334 330 ALA N N 123.168 0.450 1 487 335 331 ILE H H 7.713 0.040 1 488 335 331 ILE CA C 65.655 0.450 1 489 335 331 ILE N N 116.790 0.450 1 490 336 332 GLU H H 7.575 0.040 1 491 336 332 GLU CA C 61.093 0.450 1 492 336 332 GLU N N 118.217 0.450 1 493 337 333 ALA H H 7.678 0.040 1 494 337 333 ALA CA C 52.831 0.450 1 495 337 333 ALA N N 116.544 0.450 1 496 338 334 VAL H H 7.616 0.040 1 497 338 334 VAL CA C 65.988 0.450 1 498 338 334 VAL N N 120.070 0.450 1 499 339 335 SER H H 6.521 0.040 1 500 339 335 SER CA C 55.548 0.450 1 501 339 335 SER N N 110.027 0.450 1 502 340 336 PRO CA C 64.464 0.450 1 503 341 337 GLY H H 8.790 0.040 1 504 341 337 GLY CA C 45.270 0.450 1 505 341 337 GLY N N 113.894 0.450 1 506 342 338 LEU H H 7.894 0.040 1 507 342 338 LEU CA C 55.790 0.450 1 508 342 338 LEU N N 121.893 0.450 1 509 343 339 TYR H H 7.396 0.040 1 510 343 339 TYR CA C 53.542 0.450 1 511 343 339 TYR N N 115.072 0.450 1 512 344 340 ARG H H 8.693 0.040 1 513 344 340 ARG CA C 55.196 0.450 1 514 344 340 ARG N N 124.075 0.450 1 515 345 341 VAL H H 9.984 0.040 1 516 345 341 VAL CA C 61.049 0.450 1 517 345 341 VAL N N 128.912 0.450 1 518 346 342 SER H H 9.214 0.040 1 519 346 342 SER CA C 56.545 0.450 1 520 346 342 SER N N 122.713 0.450 1 521 347 343 ILE H H 8.940 0.040 1 522 347 343 ILE CA C 62.044 0.450 1 523 347 343 ILE N N 124.272 0.450 1 524 348 344 THR H H 8.467 0.040 1 525 348 344 THR CA C 61.313 0.450 1 526 348 344 THR N N 120.574 0.450 1 527 349 345 SER H H 7.931 0.040 1 528 349 345 SER CA C 57.853 0.450 1 529 349 345 SER N N 116.798 0.450 1 530 350 346 GLU H H 8.375 0.040 1 531 350 346 GLU CA C 56.580 0.450 1 532 350 346 GLU N N 122.047 0.450 1 533 352 348 GLU H H 8.397 0.040 1 534 352 348 GLU CA C 55.826 0.450 1 535 352 348 GLU N N 124.279 0.450 1 536 375 371 LEU CA C 55.614 0.450 1 537 376 372 THR H H 7.669 0.040 1 538 376 372 THR CA C 59.775 0.450 1 539 376 372 THR N N 111.083 0.450 1 540 377 373 GLN H H 8.391 0.040 1 541 377 373 GLN CA C 53.651 0.450 1 542 377 373 GLN N N 119.032 0.450 1 543 378 374 GLU H H 8.405 0.040 1 544 378 374 GLU CA C 54.596 0.450 1 545 378 374 GLU N N 118.734 0.450 1 546 379 375 THR H H 8.981 0.040 1 547 379 375 THR CA C 60.620 0.450 1 548 379 375 THR N N 119.906 0.450 1 549 380 376 VAL H H 8.062 0.040 1 550 380 376 VAL CA C 61.412 0.450 1 551 380 376 VAL N N 127.375 0.450 1 552 381 377 ILE H H 9.111 0.040 1 553 381 377 ILE CA C 59.857 0.450 1 554 381 377 ILE N N 128.479 0.450 1 555 382 378 ASN H H 9.207 0.040 1 556 382 378 ASN CA C 53.944 0.450 1 557 382 378 ASN N N 128.149 0.450 1 558 383 379 ILE H H 8.252 0.040 1 559 383 379 ILE CA C 61.017 0.450 1 560 383 379 ILE N N 124.041 0.450 1 561 384 380 ASP H H 9.127 0.040 1 562 384 380 ASP CA C 53.169 0.450 1 563 384 380 ASP N N 127.968 0.450 1 564 385 381 GLY H H 8.283 0.040 1 565 385 381 GLY CA C 44.972 0.450 1 566 385 381 GLY N N 108.328 0.450 1 567 386 382 MET H H 8.997 0.040 1 568 386 382 MET CA C 56.795 0.450 1 569 386 382 MET N N 120.245 0.450 1 570 387 383 THR H H 9.174 0.040 1 571 387 383 THR CA C 61.934 0.450 1 572 387 383 THR N N 113.315 0.450 1 573 388 384 CYS H H 8.038 0.040 1 574 388 384 CYS CA C 57.368 0.450 1 575 388 384 CYS N N 117.576 0.450 1 576 390 386 SER H H 9.577 0.040 1 577 390 386 SER CA C 62.769 0.450 1 578 390 386 SER N N 120.679 0.450 1 579 391 387 CYS H H 7.753 0.040 1 580 391 387 CYS CA C 63.324 0.450 1 581 391 387 CYS N N 124.655 0.450 1 582 392 388 VAL H H 6.421 0.040 1 583 392 388 VAL CA C 66.327 0.450 1 584 392 388 VAL N N 117.624 0.450 1 585 393 389 GLN H H 7.797 0.040 1 586 393 389 GLN CA C 58.639 0.450 1 587 393 389 GLN N N 115.339 0.450 1 588 394 390 SER H H 8.145 0.040 1 589 394 390 SER CA C 61.614 0.450 1 590 394 390 SER N N 116.640 0.450 1 591 395 391 ILE H H 7.864 0.040 1 592 395 391 ILE CA C 66.037 0.450 1 593 395 391 ILE N N 121.145 0.450 1 594 396 392 GLU H H 8.352 0.040 1 595 396 392 GLU CA C 60.428 0.450 1 596 396 392 GLU N N 116.811 0.450 1 597 397 393 GLY H H 8.311 0.040 1 598 397 393 GLY CA C 47.239 0.450 1 599 397 393 GLY N N 106.852 0.450 1 600 398 394 VAL H H 7.766 0.040 1 601 398 394 VAL CA C 65.971 0.450 1 602 398 394 VAL N N 120.395 0.450 1 603 399 395 ILE H H 8.582 0.040 1 604 399 395 ILE CA C 61.137 0.450 1 605 399 395 ILE N N 118.576 0.450 1 606 400 396 SER H H 7.933 0.040 1 607 400 396 SER CA C 61.667 0.450 1 608 400 396 SER N N 111.416 0.450 1 609 401 397 LYS H H 6.709 0.040 1 610 401 397 LYS CA C 55.436 0.450 1 611 401 397 LYS N N 117.278 0.450 1 612 402 398 LYS H H 7.640 0.040 1 613 402 398 LYS CA C 53.599 0.450 1 614 402 398 LYS N N 121.701 0.450 1 615 403 399 PRO CA C 63.836 0.450 1 616 404 400 GLY H H 8.822 0.040 1 617 404 400 GLY CA C 46.549 0.450 1 618 404 400 GLY N N 107.615 0.450 1 619 405 401 VAL H H 7.379 0.040 1 620 405 401 VAL CA C 64.845 0.450 1 621 405 401 VAL N N 120.371 0.450 1 622 406 402 LYS H H 9.130 0.040 1 623 406 402 LYS CA C 56.152 0.450 1 624 406 402 LYS N N 129.718 0.450 1 625 407 403 SER H H 7.755 0.040 1 626 407 403 SER CA C 57.731 0.450 1 627 407 403 SER N N 110.885 0.450 1 628 408 404 ILE H H 8.549 0.040 1 629 408 404 ILE CA C 58.833 0.450 1 630 408 404 ILE N N 119.062 0.450 1 631 409 405 ARG H H 8.182 0.040 1 632 409 405 ARG CA C 54.005 0.450 1 633 409 405 ARG N N 125.896 0.450 1 634 410 406 VAL H H 10.331 0.040 1 635 410 406 VAL CA C 61.701 0.450 1 636 410 406 VAL N N 131.307 0.450 1 637 411 407 SER H H 9.037 0.040 1 638 411 407 SER CA C 54.908 0.450 1 639 411 407 SER N N 121.048 0.450 1 640 412 408 LEU H H 8.819 0.040 1 641 412 408 LEU CA C 57.731 0.450 1 642 412 408 LEU N N 130.449 0.450 1 643 413 409 ALA H H 8.366 0.040 1 644 413 409 ALA CA C 54.923 0.450 1 645 413 409 ALA N N 120.220 0.450 1 646 414 410 ASN H H 7.794 0.040 1 647 414 410 ASN CA C 52.160 0.450 1 648 414 410 ASN N N 111.739 0.450 1 649 415 411 SER H H 7.611 0.040 1 650 415 411 SER CA C 58.102 0.450 1 651 415 411 SER N N 114.911 0.450 1 652 416 412 ASN H H 8.067 0.040 1 653 416 412 ASN CA C 51.907 0.450 1 654 416 412 ASN N N 113.967 0.450 1 655 417 413 GLY H H 9.089 0.040 1 656 417 413 GLY CA C 45.662 0.450 1 657 417 413 GLY N N 103.789 0.450 1 658 418 414 THR H H 8.592 0.040 1 659 418 414 THR CA C 62.397 0.450 1 660 418 414 THR N N 121.003 0.450 1 661 419 415 VAL H H 9.329 0.040 1 662 419 415 VAL CA C 60.347 0.450 1 663 419 415 VAL N N 128.825 0.450 1 664 420 416 GLU H H 8.734 0.040 1 665 420 416 GLU CA C 54.628 0.450 1 666 420 416 GLU N N 127.991 0.450 1 667 421 417 TYR H H 9.447 0.040 1 668 421 417 TYR CA C 55.005 0.450 1 669 421 417 TYR N N 124.356 0.450 1 670 422 418 ASP H H 8.940 0.040 1 671 422 418 ASP CA C 49.847 0.450 1 672 422 418 ASP N N 120.544 0.450 1 673 423 419 PRO CA C 63.334 0.450 1 674 424 420 LEU H H 8.697 0.040 1 675 424 420 LEU CA C 56.148 0.450 1 676 424 420 LEU N N 118.832 0.450 1 677 425 421 LEU H H 7.637 0.040 1 678 425 421 LEU CA C 54.669 0.450 1 679 425 421 LEU N N 117.483 0.450 1 680 426 422 THR H H 7.958 0.040 1 681 426 422 THR CA C 60.339 0.450 1 682 426 422 THR N N 114.677 0.450 1 683 427 423 SER H H 8.087 0.040 1 684 427 423 SER CA C 55.092 0.450 1 685 427 423 SER N N 112.190 0.450 1 686 428 424 PRO CA C 66.254 0.450 1 687 429 425 GLU H H 8.470 0.040 1 688 429 425 GLU CA C 58.796 0.450 1 689 429 425 GLU N N 116.168 0.450 1 690 430 426 THR H H 7.674 0.040 1 691 430 426 THR CA C 66.333 0.450 1 692 430 426 THR N N 118.436 0.450 1 693 431 427 LEU H H 7.572 0.040 1 694 431 427 LEU CA C 57.567 0.450 1 695 431 427 LEU N N 122.492 0.450 1 696 432 428 ARG H H 8.706 0.040 1 697 432 428 ARG CA C 60.076 0.450 1 698 432 428 ARG N N 120.216 0.450 1 699 433 429 GLY H H 8.341 0.040 1 700 433 429 GLY CA C 47.156 0.450 1 701 433 429 GLY N N 105.044 0.450 1 702 434 430 ALA H H 7.552 0.040 1 703 434 430 ALA CA C 54.550 0.450 1 704 434 430 ALA N N 122.819 0.450 1 705 435 431 ILE H H 7.507 0.040 1 706 435 431 ILE CA C 65.764 0.450 1 707 435 431 ILE N N 119.318 0.450 1 708 436 432 GLU H H 8.244 0.040 1 709 436 432 GLU CA C 58.768 0.450 1 710 436 432 GLU N N 123.629 0.450 1 711 437 433 ASP H H 8.442 0.040 1 712 437 433 ASP CA C 56.676 0.450 1 713 437 433 ASP N N 119.972 0.450 1 714 438 434 MET H H 7.565 0.040 1 715 438 434 MET CA C 57.142 0.450 1 716 438 434 MET N N 116.711 0.450 1 717 439 435 GLY H H 8.145 0.040 1 718 439 435 GLY CA C 44.765 0.450 1 719 439 435 GLY N N 105.433 0.450 1 720 440 436 PHE H H 6.791 0.040 1 721 440 436 PHE CA C 56.995 0.450 1 722 440 436 PHE N N 118.357 0.450 1 723 441 437 ASP H H 7.963 0.040 1 724 441 437 ASP CA C 53.889 0.450 1 725 441 437 ASP N N 120.021 0.450 1 726 442 438 ALA H H 8.590 0.040 1 727 442 438 ALA CA C 50.286 0.450 1 728 442 438 ALA N N 128.952 0.450 1 729 443 439 THR H H 8.822 0.040 1 730 443 439 THR CA C 59.960 0.450 1 731 443 439 THR N N 115.204 0.450 1 732 444 440 LEU H H 8.872 0.040 1 733 444 440 LEU CA C 54.932 0.450 1 734 444 440 LEU N N 122.950 0.450 1 735 445 441 SER H H 8.372 0.040 1 736 445 441 SER CA C 58.584 0.450 1 737 445 441 SER N N 117.064 0.450 1 738 446 442 ASP H H 8.450 0.040 1 739 446 442 ASP CA C 54.306 0.450 1 740 446 442 ASP N N 123.279 0.450 1 741 447 443 THR H H 8.138 0.040 1 742 447 443 THR CA C 61.896 0.450 1 743 447 443 THR N N 114.008 0.450 1 744 448 444 ASN H H 8.398 0.040 1 745 448 444 ASN CA C 53.314 0.450 1 746 448 444 ASN N N 121.106 0.450 1 747 449 445 GLU H H 8.246 0.040 1 748 449 445 GLU CA C 54.421 0.450 1 749 449 445 GLU N N 122.713 0.450 1 750 455 451 ALA H H 8.335 0.040 1 751 455 451 ALA CA C 52.187 0.450 1 752 455 451 ALA N N 129.169 0.450 1 753 456 452 GLN H H 8.337 0.040 1 754 456 452 GLN CA C 53.465 0.450 1 755 456 452 GLN N N 121.396 0.450 1 756 457 453 PRO CA C 63.118 0.450 1 757 458 454 SER H H 8.430 0.040 1 758 458 454 SER CA C 58.375 0.450 1 759 458 454 SER N N 116.380 0.450 1 760 459 455 SER H H 8.144 0.040 1 761 459 455 SER CA C 61.837 0.450 1 762 459 455 SER N N 115.151 0.450 1 763 460 456 GLU H H 8.121 0.040 1 764 460 456 GLU CA C 56.945 0.450 1 765 460 456 GLU N N 123.260 0.450 1 766 470 466 PHE CA C 55.203 0.450 1 767 471 467 TYR H H 8.115 0.040 1 768 471 467 TYR CA C 55.037 0.450 1 769 471 467 TYR N N 123.040 0.450 1 770 472 468 THR H H 8.051 0.040 1 771 472 468 THR CA C 61.543 0.450 1 772 472 468 THR N N 114.562 0.450 1 773 473 469 LYS CA C 57.117 0.450 1 774 474 470 GLY H H 8.323 0.040 1 775 474 470 GLY CA C 45.453 0.450 1 776 474 470 GLY N N 109.830 0.450 1 777 475 471 MET H H 8.068 0.040 1 778 475 471 MET CA C 55.533 0.450 1 779 475 471 MET N N 119.626 0.450 1 780 484 480 GLY H H 8.395 0.040 1 781 484 480 GLY CA C 45.396 0.450 1 782 484 480 GLY N N 109.960 0.450 1 783 485 481 LYS H H 7.961 0.040 1 784 485 481 LYS CA C 56.712 0.450 1 785 485 481 LYS N N 120.312 0.450 1 786 488 484 SER H H 8.463 0.040 1 787 488 484 SER CA C 57.519 0.450 1 788 488 484 SER N N 119.057 0.450 1 789 489 485 LYS H H 8.538 0.040 1 790 489 485 LYS CA C 54.644 0.450 1 791 489 485 LYS N N 121.378 0.450 1 792 490 486 CYS H H 9.252 0.040 1 793 490 486 CYS CA C 55.344 0.450 1 794 490 486 CYS N N 119.249 0.450 1 795 491 487 TYR H H 9.003 0.040 1 796 491 487 TYR CA C 56.447 0.450 1 797 491 487 TYR N N 118.866 0.450 1 798 492 488 ILE H H 8.983 0.040 1 799 492 488 ILE CA C 58.246 0.450 1 800 492 488 ILE N N 121.314 0.450 1 801 493 489 GLN H H 9.323 0.040 1 802 493 489 GLN CA C 55.494 0.450 1 803 493 489 GLN N N 129.051 0.450 1 804 494 490 VAL H H 8.896 0.040 1 805 494 490 VAL CA C 61.025 0.450 1 806 494 490 VAL N N 131.159 0.450 1 807 495 491 THR H H 9.076 0.040 1 808 495 491 THR CA C 60.466 0.450 1 809 495 491 THR N N 121.135 0.450 1 810 496 492 GLY H H 8.700 0.040 1 811 496 492 GLY CA C 45.005 0.450 1 812 496 492 GLY N N 109.064 0.450 1 813 497 493 MET H H 8.808 0.040 1 814 497 493 MET CA C 56.559 0.450 1 815 497 493 MET N N 119.986 0.450 1 816 502 498 CYS CA C 63.672 0.450 1 817 503 499 VAL H H 6.418 0.040 1 818 503 499 VAL N N 117.556 0.450 1 819 504 500 ALA H H 7.500 0.040 1 820 504 500 ALA N N 119.430 0.450 1 821 512 508 ARG H H 6.724 0.040 1 822 512 508 ARG CA C 56.333 0.450 1 823 512 508 ARG N N 113.975 0.450 1 824 513 509 GLU H H 7.229 0.040 1 825 513 509 GLU CA C 55.368 0.450 1 826 513 509 GLU N N 120.056 0.450 1 827 515 511 GLY H H 8.563 0.040 1 828 515 511 GLY CA C 45.008 0.450 1 829 515 511 GLY N N 108.526 0.450 1 830 516 512 ILE H H 7.167 0.040 1 831 516 512 ILE CA C 59.886 0.450 1 832 516 512 ILE N N 118.237 0.450 1 833 517 513 TYR H H 8.906 0.040 1 834 517 513 TYR CA C 58.777 0.450 1 835 517 513 TYR N N 126.598 0.450 1 836 518 514 SER H H 7.857 0.040 1 837 518 514 SER CA C 57.572 0.450 1 838 518 514 SER N N 109.956 0.450 1 839 519 515 ILE H H 8.477 0.040 1 840 519 515 ILE CA C 59.265 0.450 1 841 519 515 ILE N N 119.457 0.450 1 842 520 516 LEU H H 8.369 0.040 1 843 520 516 LEU CA C 53.588 0.450 1 844 520 516 LEU N N 128.600 0.450 1 845 521 517 VAL H H 9.590 0.040 1 846 521 517 VAL CA C 61.634 0.450 1 847 521 517 VAL N N 127.427 0.450 1 848 522 518 ALA H H 8.587 0.040 1 849 522 518 ALA CA C 50.073 0.450 1 850 522 518 ALA N N 131.493 0.450 1 851 523 519 LEU H H 8.627 0.040 1 852 523 519 LEU CA C 58.846 0.450 1 853 523 519 LEU N N 126.169 0.450 1 854 524 520 MET H H 8.638 0.040 1 855 524 520 MET CA C 57.842 0.450 1 856 524 520 MET N N 115.733 0.450 1 857 525 521 ALA H H 7.278 0.040 1 858 525 521 ALA CA C 52.200 0.450 1 859 525 521 ALA N N 118.181 0.450 1 860 526 522 GLY H H 7.752 0.040 1 861 526 522 GLY CA C 46.538 0.450 1 862 526 522 GLY N N 107.566 0.450 1 863 527 523 LYS H H 7.123 0.040 1 864 527 523 LYS CA C 54.899 0.450 1 865 527 523 LYS N N 115.868 0.450 1 866 528 524 ALA H H 9.541 0.040 1 867 528 524 ALA CA C 49.599 0.450 1 868 528 524 ALA N N 125.578 0.450 1 869 529 525 GLU H H 8.895 0.040 1 870 529 525 GLU CA C 54.723 0.450 1 871 529 525 GLU N N 123.575 0.450 1 872 530 526 VAL H H 8.908 0.040 1 873 530 526 VAL CA C 60.934 0.450 1 874 530 526 VAL N N 128.371 0.450 1 875 531 527 ARG H H 8.636 0.040 1 876 531 527 ARG CA C 54.949 0.450 1 877 531 527 ARG N N 127.558 0.450 1 878 532 528 TYR H H 9.192 0.040 1 879 532 528 TYR CA C 55.480 0.450 1 880 532 528 TYR N N 123.711 0.450 1 881 533 529 ASN H H 8.818 0.040 1 882 533 529 ASN CA C 48.803 0.450 1 883 533 529 ASN N N 118.495 0.450 1 884 535 531 ALA H H 7.875 0.040 1 885 535 531 ALA CA C 53.372 0.450 1 886 535 531 ALA N N 120.185 0.450 1 887 536 532 VAL H H 7.736 0.040 1 888 536 532 VAL CA C 62.534 0.450 1 889 536 532 VAL N N 115.292 0.450 1 890 537 533 ILE H H 8.364 0.040 1 891 537 533 ILE CA C 60.270 0.450 1 892 537 533 ILE N N 121.451 0.450 1 893 538 534 GLN H H 6.797 0.040 1 894 538 534 GLN CA C 52.854 0.450 1 895 538 534 GLN N N 118.736 0.450 1 896 538 534 GLN NE2 N 113.753 0.450 1 897 541 537 MET H H 7.214 0.040 1 898 541 537 MET CA C 57.426 0.450 1 899 541 537 MET N N 115.422 0.450 1 900 542 538 ILE H H 7.010 0.040 1 901 542 538 ILE CA C 65.765 0.450 1 902 542 538 ILE N N 119.934 0.450 1 903 543 539 ALA H H 7.729 0.040 1 904 543 539 ALA CA C 55.401 0.450 1 905 543 539 ALA N N 118.546 0.450 1 906 544 540 GLU H H 7.494 0.040 1 907 544 540 GLU CA C 59.718 0.450 1 908 544 540 GLU N N 118.152 0.450 1 909 545 541 PHE H H 7.780 0.040 1 910 545 541 PHE CA C 59.489 0.450 1 911 545 541 PHE N N 118.186 0.450 1 912 546 542 ILE H H 7.408 0.040 1 913 546 542 ILE CA C 66.185 0.450 1 914 546 542 ILE N N 118.593 0.450 1 915 551 547 PHE H H 6.731 0.040 1 916 551 547 PHE CA C 57.061 0.450 1 917 551 547 PHE N N 118.875 0.450 1 918 552 548 GLY H H 8.289 0.040 1 919 552 548 GLY CA C 44.784 0.450 1 920 552 548 GLY N N 108.195 0.450 1 921 553 549 ALA H H 8.311 0.040 1 922 553 549 ALA CA C 51.790 0.450 1 923 553 549 ALA N N 123.103 0.450 1 924 554 550 THR H H 8.286 0.040 1 925 554 550 THR CA C 60.546 0.450 1 926 554 550 THR N N 116.492 0.450 1 927 555 551 VAL H H 8.998 0.040 1 928 555 551 VAL CA C 64.389 0.450 1 929 555 551 VAL N N 127.554 0.450 1 930 556 552 ILE H H 8.657 0.040 1 931 556 552 ILE CA C 61.190 0.450 1 932 556 552 ILE N N 128.537 0.450 1 933 559 555 ALA H H 8.281 0.040 1 934 559 555 ALA CA C 52.605 0.450 1 935 559 555 ALA N N 124.742 0.450 1 936 560 556 ASP H H 8.239 0.040 1 937 560 556 ASP CA C 54.376 0.450 1 938 560 556 ASP N N 119.516 0.450 1 939 561 557 GLU H H 8.241 0.040 1 940 561 557 GLU CA C 56.825 0.450 1 941 561 557 GLU N N 121.666 0.450 1 942 562 558 GLY H H 8.365 0.040 1 943 562 558 GLY CA C 45.229 0.450 1 944 562 558 GLY N N 109.132 0.450 1 945 563 559 ASP H H 8.078 0.040 1 946 563 559 ASP CA C 54.274 0.450 1 947 563 559 ASP N N 119.553 0.450 1 948 564 560 GLY H H 8.158 0.040 1 949 564 560 GLY CA C 45.334 0.450 1 950 564 560 GLY N N 108.093 0.450 1 951 565 561 VAL H H 7.692 0.040 1 952 565 561 VAL CA C 61.368 0.450 1 953 565 561 VAL N N 119.774 0.450 1 954 566 562 LEU H H 9.323 0.040 1 955 566 562 LEU CA C 53.788 0.450 1 956 566 562 LEU N N 129.753 0.450 1 957 567 563 GLU H H 8.561 0.040 1 958 567 563 GLU CA C 54.682 0.450 1 959 567 563 GLU N N 125.896 0.450 1 960 568 564 LEU H H 8.601 0.040 1 961 568 564 LEU CA C 52.539 0.450 1 962 568 564 LEU N N 121.155 0.450 1 963 569 565 VAL H H 8.849 0.040 1 964 569 565 VAL CA C 61.829 0.450 1 965 569 565 VAL N N 121.376 0.450 1 966 570 566 VAL H H 8.629 0.040 1 967 570 566 VAL CA C 60.849 0.450 1 968 570 566 VAL N N 127.397 0.450 1 969 571 567 ARG H H 9.233 0.040 1 970 571 567 ARG CA C 55.218 0.450 1 971 571 567 ARG N N 126.905 0.450 1 972 572 568 GLY H H 8.426 0.040 1 973 572 568 GLY CA C 44.838 0.450 1 974 572 568 GLY N N 108.756 0.450 1 975 573 569 MET H H 8.832 0.040 1 976 573 569 MET CA C 56.486 0.450 1 977 573 569 MET N N 119.768 0.450 1 978 574 570 THR H H 9.362 0.040 1 979 574 570 THR CA C 61.778 0.450 1 980 574 570 THR N N 114.500 0.450 1 981 577 573 SER H H 9.420 0.040 1 982 577 573 SER CA C 62.441 0.450 1 983 577 573 SER N N 118.220 0.450 1 984 578 574 CYS H H 7.821 0.040 1 985 578 574 CYS CA C 63.706 0.450 1 986 578 574 CYS N N 126.370 0.450 1 987 579 575 VAL H H 6.424 0.040 1 988 579 575 VAL CA C 66.366 0.450 1 989 579 575 VAL N N 117.686 0.450 1 990 580 576 HIS H H 7.669 0.040 1 991 580 576 HIS CA C 59.154 0.450 1 992 580 576 HIS N N 116.697 0.450 1 993 581 577 LYS H H 8.190 0.040 1 994 581 577 LYS CA C 60.043 0.450 1 995 581 577 LYS N N 121.561 0.450 1 996 582 578 ILE H H 7.589 0.040 1 997 582 578 ILE CA C 66.180 0.450 1 998 582 578 ILE N N 118.777 0.450 1 999 583 579 GLU H H 8.577 0.040 1 1000 583 579 GLU CA C 60.898 0.450 1 1001 583 579 GLU N N 117.582 0.450 1 1002 584 580 SER H H 8.569 0.040 1 1003 584 580 SER CA C 61.337 0.450 1 1004 584 580 SER N N 113.311 0.450 1 1005 585 581 SER H H 7.286 0.040 1 1006 585 581 SER CA C 61.916 0.450 1 1007 585 581 SER N N 115.512 0.450 1 1008 586 582 LEU H H 8.263 0.040 1 1009 586 582 LEU CA C 57.914 0.450 1 1010 586 582 LEU N N 120.314 0.450 1 1011 587 583 THR H H 7.712 0.040 1 1012 587 583 THR CA C 65.031 0.450 1 1013 587 583 THR N N 107.556 0.450 1 1014 588 584 LYS H H 6.855 0.040 1 1015 588 584 LYS CA C 56.588 0.450 1 1016 588 584 LYS N N 117.286 0.450 1 1017 589 585 HIS H H 7.676 0.040 1 1018 589 585 HIS CA C 56.489 0.450 1 1019 589 585 HIS N N 121.825 0.450 1 1020 592 588 ILE H H 7.661 0.040 1 1021 592 588 ILE CA C 60.092 0.450 1 1022 592 588 ILE N N 119.539 0.450 1 1023 593 589 LEU H H 8.855 0.040 1 1024 593 589 LEU CA C 55.560 0.450 1 1025 593 589 LEU N N 128.611 0.450 1 1026 594 590 TYR H H 7.788 0.040 1 1027 594 590 TYR CA C 57.781 0.450 1 1028 594 590 TYR N N 118.063 0.450 1 1029 595 591 CYS H H 8.167 0.040 1 1030 595 591 CYS CA C 57.473 0.450 1 1031 595 591 CYS N N 124.971 0.450 1 1032 596 592 SER H H 8.630 0.040 1 1033 596 592 SER CA C 56.259 0.450 1 1034 596 592 SER N N 122.117 0.450 1 1035 597 593 VAL H H 9.604 0.040 1 1036 597 593 VAL CA C 61.060 0.450 1 1037 597 593 VAL N N 129.433 0.450 1 1038 598 594 ALA H H 8.491 0.040 1 1039 598 594 ALA CA C 50.116 0.450 1 1040 598 594 ALA N N 129.832 0.450 1 1041 599 595 LEU H H 8.625 0.040 1 1042 599 595 LEU CA C 57.628 0.450 1 1043 599 595 LEU N N 125.795 0.450 1 1044 600 596 ALA H H 8.564 0.040 1 1045 600 596 ALA CA C 54.983 0.450 1 1046 600 596 ALA N N 116.154 0.450 1 1047 601 597 THR H H 6.685 0.040 1 1048 601 597 THR CA C 60.042 0.450 1 1049 601 597 THR N N 100.755 0.450 1 1050 602 598 ASN H H 7.759 0.040 1 1051 602 598 ASN CA C 55.355 0.450 1 1052 602 598 ASN N N 116.166 0.450 1 1053 603 599 LYS H H 7.464 0.040 1 1054 603 599 LYS CA C 55.192 0.450 1 1055 603 599 LYS N N 115.352 0.450 1 1056 604 600 ALA H H 9.069 0.040 1 1057 604 600 ALA CA C 49.603 0.450 1 1058 604 600 ALA N N 123.406 0.450 1 1059 605 601 HIS H H 9.035 0.040 1 1060 605 601 HIS CA C 55.885 0.450 1 1061 605 601 HIS N N 122.986 0.450 1 1062 606 602 ILE H H 8.873 0.040 1 1063 606 602 ILE CA C 59.543 0.450 1 1064 606 602 ILE N N 125.705 0.450 1 1065 607 603 LYS H H 8.774 0.040 1 1066 607 603 LYS CA C 54.484 0.450 1 1067 607 603 LYS N N 125.937 0.450 1 1068 608 604 TYR H H 9.304 0.040 1 1069 608 604 TYR CA C 55.142 0.450 1 1070 608 604 TYR N N 124.120 0.450 1 1071 609 605 ASP H H 8.877 0.040 1 1072 609 605 ASP CA C 49.914 0.450 1 1073 609 605 ASP N N 120.286 0.450 1 1074 610 606 PRO CA C 63.250 0.450 1 1075 611 607 GLU H H 8.346 0.040 1 1076 611 607 GLU CA C 57.622 0.450 1 1077 611 607 GLU N N 116.429 0.450 1 1078 612 608 ILE H H 7.936 0.040 1 1079 612 608 ILE CA C 61.582 0.450 1 1080 612 608 ILE N N 116.891 0.450 1 1081 613 609 ILE H H 8.328 0.040 1 1082 613 609 ILE CA C 60.201 0.450 1 1083 613 609 ILE N N 121.166 0.450 1 1084 614 610 GLY H H 7.897 0.040 1 1085 614 610 GLY CA C 43.888 0.450 1 1086 614 610 GLY N N 107.965 0.450 1 1087 615 611 PRO CA C 65.682 0.450 1 1088 616 612 ARG H H 8.645 0.040 1 1089 616 612 ARG CA C 59.273 0.450 1 1090 616 612 ARG N N 115.240 0.450 1 1091 617 613 ASP H H 7.279 0.040 1 1092 617 613 ASP CA C 56.923 0.450 1 1093 617 613 ASP N N 117.724 0.450 1 1094 618 614 ILE H H 7.358 0.040 1 1095 618 614 ILE CA C 66.047 0.450 1 1096 618 614 ILE N N 122.242 0.450 1 1097 619 615 ILE H H 8.163 0.040 1 1098 619 615 ILE CA C 66.709 0.450 1 1099 619 615 ILE N N 120.086 0.450 1 1100 620 616 HIS H H 8.071 0.040 1 1101 620 616 HIS CA C 59.270 0.450 1 1102 620 616 HIS N N 117.568 0.450 1 1103 621 617 THR H H 7.990 0.040 1 1104 621 617 THR CA C 67.371 0.450 1 1105 621 617 THR N N 117.736 0.450 1 1106 622 618 ILE H H 7.746 0.040 1 1107 622 618 ILE CA C 66.700 0.450 1 1108 622 618 ILE N N 122.774 0.450 1 1109 623 619 GLU H H 8.556 0.040 1 1110 623 619 GLU CA C 58.810 0.450 1 1111 623 619 GLU N N 119.973 0.450 1 1112 624 620 SER H H 8.208 0.040 1 1113 624 620 SER CA C 61.461 0.450 1 1114 624 620 SER N N 117.417 0.450 1 1115 625 621 LEU H H 7.384 0.040 1 1116 625 621 LEU CA C 54.911 0.450 1 1117 625 621 LEU N N 120.530 0.450 1 1118 626 622 GLY H H 7.813 0.040 1 1119 626 622 GLY CA C 44.361 0.450 1 1120 626 622 GLY N N 104.483 0.450 1 1121 627 623 PHE H H 6.790 0.040 1 1122 627 623 PHE CA C 56.252 0.450 1 1123 627 623 PHE N N 118.023 0.450 1 1124 628 624 GLU H H 7.971 0.040 1 1125 628 624 GLU CA C 55.043 0.450 1 1126 628 624 GLU N N 117.895 0.450 1 1127 629 625 ALA H H 9.236 0.040 1 1128 629 625 ALA CA C 50.582 0.450 1 1129 629 625 ALA N N 125.583 0.450 1 1130 630 626 SER H H 8.655 0.040 1 1131 630 626 SER CA C 56.888 0.450 1 1132 630 626 SER N N 113.586 0.450 1 1133 631 627 LEU H H 8.562 0.040 1 1134 631 627 LEU CA C 56.016 0.450 1 1135 631 627 LEU N N 123.518 0.450 1 stop_ save_