data_19046 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific backbone 1H, 13C and 15N assignments of the 34 kDa catalytic domain of PTPN5 ; _BMRB_accession_number 19046 _BMRB_flat_file_name bmr19046.str _Entry_type original _Submission_date 2013-02-20 _Accession_date 2013-02-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Francis Dana M. . 2 Page Rebecca . . 3 Peti Wolfgang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 212 "13C chemical shifts" 460 "15N chemical shifts" 212 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-05 update BMRB 'update entry citation' 2013-05-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Sequence-specific backbone 1H, 13C and 15N assignments of the 34 kDa catalytic domain of PTPN5 (STEP).' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23640000 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Francis Dana M. . 2 Page Rebecca . . 3 Peti Wolfgang . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 8 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 185 _Page_last 188 _Year 2014 _Details . loop_ _Keyword 'NMR spectroscopy' PTPN5 STEP tyr-Phosphatase stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Phosphatase domain of PTPN5' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PTPN5 $PTPN5 stop_ _System_molecular_weight 34834 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Dephosphorylate phosphorylated tyrosine residues' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PTPN5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PTPN5 _Molecular_mass 34834 _Mol_thiol_state 'all free' loop_ _Biological_function 'protein tyrosine phosphatase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 301 _Mol_residue_sequence ; GHMASSPREESAHEYLLSAS RVLRAEELHEKALDPFLLQA EFFEIPMNFVDPKEYDIPGL VRKNRYKTILPNPHSRVRLT SPDPEDPLSSYINANYIRGY SGEEKVYIATQGPIVSTVAD FWRMVWQERTPIIVMITNIE EMNEKCTEYWPEEQVVHDGV EITVQKVIHTEDYRLRLISL RRGTEERTLKHYWFTSWPDQ KTPDRAPPLLHLVREVEEAA QQEGPHCSPIIVHCSAGIGR TGCFIATSICCQQLRREGVV DILKTTCQLRQDRGGMIQTC EQYQFVHHAMSLYEKQLSHQ S ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 239 GLY 2 240 HIS 3 241 MET 4 242 ALA 5 243 SER 6 244 SER 7 245 PRO 8 246 ARG 9 247 GLU 10 248 GLU 11 249 SER 12 250 ALA 13 251 HIS 14 252 GLU 15 253 TYR 16 254 LEU 17 255 LEU 18 256 SER 19 257 ALA 20 258 SER 21 259 ARG 22 260 VAL 23 261 LEU 24 262 ARG 25 263 ALA 26 264 GLU 27 265 GLU 28 266 LEU 29 267 HIS 30 268 GLU 31 269 LYS 32 270 ALA 33 271 LEU 34 272 ASP 35 273 PRO 36 274 PHE 37 275 LEU 38 276 LEU 39 277 GLN 40 278 ALA 41 279 GLU 42 280 PHE 43 281 PHE 44 282 GLU 45 283 ILE 46 284 PRO 47 285 MET 48 286 ASN 49 287 PHE 50 288 VAL 51 289 ASP 52 290 PRO 53 291 LYS 54 292 GLU 55 293 TYR 56 294 ASP 57 295 ILE 58 296 PRO 59 297 GLY 60 298 LEU 61 299 VAL 62 300 ARG 63 301 LYS 64 302 ASN 65 303 ARG 66 304 TYR 67 305 LYS 68 306 THR 69 307 ILE 70 308 LEU 71 309 PRO 72 310 ASN 73 311 PRO 74 312 HIS 75 313 SER 76 314 ARG 77 315 VAL 78 316 ARG 79 317 LEU 80 318 THR 81 319 SER 82 320 PRO 83 321 ASP 84 322 PRO 85 323 GLU 86 324 ASP 87 325 PRO 88 326 LEU 89 327 SER 90 328 SER 91 329 TYR 92 330 ILE 93 331 ASN 94 332 ALA 95 333 ASN 96 334 TYR 97 335 ILE 98 336 ARG 99 337 GLY 100 338 TYR 101 339 SER 102 340 GLY 103 341 GLU 104 342 GLU 105 343 LYS 106 344 VAL 107 345 TYR 108 346 ILE 109 347 ALA 110 348 THR 111 349 GLN 112 350 GLY 113 351 PRO 114 352 ILE 115 353 VAL 116 354 SER 117 355 THR 118 356 VAL 119 357 ALA 120 358 ASP 121 359 PHE 122 360 TRP 123 361 ARG 124 362 MET 125 363 VAL 126 364 TRP 127 365 GLN 128 366 GLU 129 367 ARG 130 368 THR 131 369 PRO 132 370 ILE 133 371 ILE 134 372 VAL 135 373 MET 136 374 ILE 137 375 THR 138 376 ASN 139 377 ILE 140 378 GLU 141 379 GLU 142 380 MET 143 381 ASN 144 382 GLU 145 383 LYS 146 384 CYS 147 385 THR 148 386 GLU 149 387 TYR 150 388 TRP 151 389 PRO 152 390 GLU 153 391 GLU 154 392 GLN 155 393 VAL 156 394 VAL 157 395 HIS 158 396 ASP 159 397 GLY 160 398 VAL 161 399 GLU 162 400 ILE 163 401 THR 164 402 VAL 165 403 GLN 166 404 LYS 167 405 VAL 168 406 ILE 169 407 HIS 170 408 THR 171 409 GLU 172 410 ASP 173 411 TYR 174 412 ARG 175 413 LEU 176 414 ARG 177 415 LEU 178 416 ILE 179 417 SER 180 418 LEU 181 419 ARG 182 420 ARG 183 421 GLY 184 422 THR 185 423 GLU 186 424 GLU 187 425 ARG 188 426 THR 189 427 LEU 190 428 LYS 191 429 HIS 192 430 TYR 193 431 TRP 194 432 PHE 195 433 THR 196 434 SER 197 435 TRP 198 436 PRO 199 437 ASP 200 438 GLN 201 439 LYS 202 440 THR 203 441 PRO 204 442 ASP 205 443 ARG 206 444 ALA 207 445 PRO 208 446 PRO 209 447 LEU 210 448 LEU 211 449 HIS 212 450 LEU 213 451 VAL 214 452 ARG 215 453 GLU 216 454 VAL 217 455 GLU 218 456 GLU 219 457 ALA 220 458 ALA 221 459 GLN 222 460 GLN 223 461 GLU 224 462 GLY 225 463 PRO 226 464 HIS 227 465 CYS 228 466 SER 229 467 PRO 230 468 ILE 231 469 ILE 232 470 VAL 233 471 HIS 234 472 CYS 235 473 SER 236 474 ALA 237 475 GLY 238 476 ILE 239 477 GLY 240 478 ARG 241 479 THR 242 480 GLY 243 481 CYS 244 482 PHE 245 483 ILE 246 484 ALA 247 485 THR 248 486 SER 249 487 ILE 250 488 CYS 251 489 CYS 252 490 GLN 253 491 GLN 254 492 LEU 255 493 ARG 256 494 ARG 257 495 GLU 258 496 GLY 259 497 VAL 260 498 VAL 261 499 ASP 262 500 ILE 263 501 LEU 264 502 LYS 265 503 THR 266 504 THR 267 505 CYS 268 506 GLN 269 507 LEU 270 508 ARG 271 509 GLN 272 510 ASP 273 511 ARG 274 512 GLY 275 513 GLY 276 514 MET 277 515 ILE 278 516 GLN 279 517 THR 280 518 CYS 281 519 GLU 282 520 GLN 283 521 TYR 284 522 GLN 285 523 PHE 286 524 VAL 287 525 HIS 288 526 HIS 289 527 ALA 290 528 MET 291 529 SER 292 530 LEU 293 531 TYR 294 532 GLU 295 533 LYS 296 534 GLN 297 535 LEU 298 536 SER 299 537 HIS 300 538 GLN 301 539 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-05-11 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 DBJ BAC29993 "unnamed protein product [Mus musculus]" 98.34 541 99.32 99.66 0.00e+00 GB AAA73574 "protein tyrosine phosphatase STEP61 [Mus musculus]" 98.34 541 99.66 99.66 0.00e+00 GB AAB19491 "striatum enriched phosphatase [Rattus norvegicus]" 98.34 369 98.65 98.99 0.00e+00 GB AAH51975 "Ptpn5 protein, partial [Mus musculus]" 98.34 581 99.32 99.66 0.00e+00 GB AAH79592 "Ptpn5 protein [Mus musculus]" 98.34 541 99.32 99.66 0.00e+00 GB AAH92196 "Protein tyrosine phosphatase, non-receptor type 5 [Rattus norvegicus]" 98.34 369 98.99 99.32 0.00e+00 REF NP_001157037 "tyrosine-protein phosphatase non-receptor type 5 [Mus musculus]" 98.34 541 99.32 99.66 0.00e+00 REF NP_038671 "tyrosine-protein phosphatase non-receptor type 5 [Mus musculus]" 98.34 541 99.32 99.66 0.00e+00 REF NP_062126 "tyrosine-protein phosphatase non-receptor type 5 [Rattus norvegicus]" 98.34 369 98.65 98.99 0.00e+00 REF XP_005087780 "PREDICTED: tyrosine-protein phosphatase non-receptor type 5 [Mesocricetus auratus]" 98.34 541 97.64 98.65 0.00e+00 REF XP_006229314 "PREDICTED: tyrosine-protein phosphatase non-receptor type 5 isoform X1 [Rattus norvegicus]" 98.34 584 98.99 99.32 0.00e+00 SP P35234 "RecName: Full=Tyrosine-protein phosphatase non-receptor type 5; AltName: Full=Neural-specific protein-tyrosine phosphatase; Alt" 98.34 369 98.65 98.99 0.00e+00 SP P54830 "RecName: Full=Tyrosine-protein phosphatase non-receptor type 5; AltName: Full=Neural-specific protein-tyrosine phosphatase; Alt" 98.34 541 99.32 99.66 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $PTPN5 'House mouse' 10090 Eukaryota Metazoa Mus musculus 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 _Details $PTPN5 'recombinant technology' . Escherichia coli . 'pet28a derivative' 'derivative of the pET28a vector which includes an N-terminal hexahistidine tag and a Tobacco Etch Virus protease recognition sequence' 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 $PTPN5 0.4 mM '[U-13C; U-15N; U-2H]' HEPES 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTPN5 0.3 mM [U-15N]-Leu HEPES 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTPN5 0.3 mM [U-15N]-Tyr HEPES 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTPN5 0.3 mM [U-15N]-Phe HEPES 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTPN5 0.3 mM [U-15N]-Glu HEPES 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTPN5 0.3 mM [U-15N]-Asp HEPES 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_7 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PTPN5 0.3 mM [U-15N]-Val HEPES 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 5 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.0/3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_6 save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_7 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 6.8 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D HN(CO)CA' '3D HN(COCA)CB' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 $sample_6 $sample_7 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PTPN5 _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 1 241 3 MET CA C 55.724 0.273 1 2 241 3 MET CB C 32.804 0.273 1 3 242 4 ALA H H 8.346 0.006 1 4 242 4 ALA CA C 52.907 0.273 1 5 242 4 ALA CB C 19.185 0.273 1 6 242 4 ALA N N 126.278 0.066 1 7 243 5 SER H H 8.219 0.006 1 8 243 5 SER CA C 58.570 0.273 1 9 243 5 SER CB C 64.105 0.273 1 10 243 5 SER N N 115.639 0.066 1 11 244 6 SER H H 8.214 0.006 1 12 244 6 SER CA C 56.880 0.273 1 13 244 6 SER CB C 63.732 0.273 1 14 244 6 SER N N 119.153 0.066 1 15 245 7 PRO CA C 64.279 0.273 1 16 245 7 PRO CB C 31.964 0.273 1 17 246 8 ARG H H 8.264 0.006 1 18 246 8 ARG CA C 57.206 0.273 1 19 246 8 ARG CB C 30.348 0.273 1 20 246 8 ARG N N 121.028 0.066 1 21 247 9 GLU H H 8.324 0.006 1 22 247 9 GLU CA C 57.769 0.273 1 23 247 9 GLU CB C 29.974 0.273 1 24 247 9 GLU N N 122.450 0.066 1 25 248 10 GLU H H 8.426 0.006 1 26 248 10 GLU CA C 57.977 0.273 1 27 248 10 GLU CB C 29.901 0.273 1 28 248 10 GLU N N 122.141 0.066 1 29 249 11 SER H H 8.270 0.006 1 30 249 11 SER CA C 59.756 0.273 1 31 249 11 SER CB C 63.723 0.273 1 32 249 11 SER N N 116.950 0.066 1 33 250 12 ALA H H 8.204 0.006 1 34 250 12 ALA CA C 55.042 0.273 1 35 250 12 ALA CB C 18.515 0.273 1 36 250 12 ALA N N 126.342 0.066 1 37 251 13 HIS H H 8.063 0.006 1 38 251 13 HIS CA C 59.519 0.273 1 39 251 13 HIS CB C 29.725 0.273 1 40 251 13 HIS N N 117.017 0.066 1 41 252 14 GLU H H 7.943 0.006 1 42 252 14 GLU CA C 59.400 0.273 1 43 252 14 GLU CB C 29.232 0.273 1 44 252 14 GLU N N 118.850 0.066 1 45 253 15 TYR H H 8.252 0.006 1 46 253 15 TYR CA C 62.336 0.273 1 47 253 15 TYR CB C 38.683 0.273 1 48 253 15 TYR N N 122.855 0.066 1 49 254 16 LEU H H 8.060 0.006 1 50 254 16 LEU CA C 57.769 0.273 1 51 254 16 LEU CB C 41.771 0.273 1 52 254 16 LEU N N 116.678 0.066 1 53 255 17 LEU H H 7.342 0.006 1 54 255 17 LEU CA C 56.554 0.273 1 55 255 17 LEU CB C 42.355 0.273 1 56 255 17 LEU N N 115.687 0.066 1 57 256 18 SER H H 7.333 0.006 1 58 256 18 SER CA C 58.985 0.273 1 59 256 18 SER CB C 65.771 0.273 1 60 256 18 SER N N 112.050 0.066 1 61 257 19 ALA H H 7.716 0.006 1 62 257 19 ALA CA C 54.613 0.273 1 63 257 19 ALA CB C 18.739 0.273 1 64 257 19 ALA N N 128.383 0.066 1 65 258 20 SER H H 7.509 0.006 1 66 258 20 SER CA C 57.436 0.273 1 67 258 20 SER CB C 64.506 0.273 1 68 258 20 SER N N 113.973 0.066 1 69 259 21 ARG H H 10.064 0.006 1 70 259 21 ARG CA C 55.325 0.273 1 71 259 21 ARG CB C 30.646 0.273 1 72 259 21 ARG N N 133.817 0.066 1 73 260 22 VAL H H 8.466 0.006 1 74 260 22 VAL CA C 65.034 0.273 1 75 260 22 VAL CB C 30.915 0.273 1 76 260 22 VAL N N 128.127 0.066 1 77 261 23 LEU H H 9.175 0.006 1 78 261 23 LEU CA C 53.974 0.273 1 79 261 23 LEU CB C 43.966 0.273 1 80 261 23 LEU N N 129.558 0.066 1 81 262 24 ARG H H 8.540 0.006 1 82 262 24 ARG CA C 55.694 0.273 1 83 262 24 ARG CB C 31.241 0.273 1 84 262 24 ARG N N 121.386 0.066 1 85 263 25 ALA H H 8.816 0.006 1 86 263 25 ALA CA C 56.791 0.273 1 87 263 25 ALA CB C 18.441 0.273 1 88 263 25 ALA N N 125.015 0.066 1 89 264 26 GLU H H 8.933 0.006 1 90 264 26 GLU CA C 60.182 0.273 1 91 264 26 GLU CB C 28.606 0.273 1 92 264 26 GLU N N 114.559 0.066 1 93 265 27 GLU H H 7.284 0.006 1 94 265 27 GLU CA C 58.629 0.273 1 95 265 27 GLU CB C 30.497 0.273 1 96 265 27 GLU N N 118.342 0.066 1 97 266 28 LEU H H 8.008 0.006 1 98 266 28 LEU CA C 58.600 0.273 1 99 266 28 LEU CB C 40.915 0.273 1 100 266 28 LEU N N 121.971 0.066 1 101 267 29 HIS H H 7.729 0.006 1 102 267 29 HIS CA C 58.956 0.273 1 103 267 29 HIS CB C 30.199 0.273 1 104 267 29 HIS N N 115.681 0.066 1 105 268 30 GLU H H 7.429 0.006 1 106 268 30 GLU CA C 58.985 0.273 1 107 268 30 GLU CB C 30.125 0.273 1 108 268 30 GLU N N 116.120 0.066 1 109 269 31 LYS H H 8.456 0.006 1 110 269 31 LYS CA C 58.984 0.273 1 111 269 31 LYS CB C 33.250 0.273 1 112 269 31 LYS N N 122.712 0.066 1 113 270 32 ALA H H 7.747 0.006 1 114 270 32 ALA CA C 54.715 0.273 1 115 270 32 ALA CB C 18.218 0.273 1 116 270 32 ALA N N 115.393 0.066 1 117 271 33 LEU CA C 53.945 0.273 1 118 271 33 LEU CB C 42.255 0.273 1 119 272 34 ASP H H 7.455 0.006 1 120 272 34 ASP CA C 51.036 0.273 1 121 272 34 ASP CB C 41.883 0.273 1 122 272 34 ASP N N 121.243 0.066 1 123 273 35 PRO CA C 65.064 0.273 1 124 273 35 PRO CB C 31.315 0.273 1 125 274 36 PHE H H 7.879 0.006 1 126 274 36 PHE CA C 61.446 0.273 1 127 274 36 PHE CB C 38.227 0.273 1 128 274 36 PHE N N 119.372 0.066 1 129 275 37 LEU H H 7.743 0.006 1 130 275 37 LEU CA C 57.659 0.273 1 131 275 37 LEU CB C 42.106 0.273 1 132 275 37 LEU N N 122.752 0.066 1 133 276 38 LEU H H 7.764 0.006 1 134 276 38 LEU CA C 58.451 0.273 1 135 276 38 LEU CB C 42.133 0.273 1 136 276 38 LEU N N 118.128 0.066 1 137 277 39 GLN H H 8.039 0.006 1 138 277 39 GLN CA C 59.786 0.273 1 139 277 39 GLN CB C 28.115 0.273 1 140 277 39 GLN N N 118.728 0.066 1 141 278 40 ALA H H 7.374 0.006 1 142 278 40 ALA CA C 55.190 0.273 1 143 278 40 ALA CB C 17.920 0.273 1 144 278 40 ALA N N 121.401 0.066 1 145 279 41 GLU H H 7.639 0.006 1 146 279 41 GLU CA C 59.282 0.273 1 147 279 41 GLU CB C 32.107 0.273 1 148 279 41 GLU N N 118.161 0.066 1 149 280 42 PHE H H 8.573 0.006 1 150 280 42 PHE CA C 61.594 0.273 1 151 280 42 PHE CB C 39.736 0.273 1 152 280 42 PHE N N 118.692 0.066 1 153 281 43 PHE H H 8.165 0.006 1 154 281 43 PHE CA C 60.152 0.273 1 155 281 43 PHE CB C 38.152 0.273 1 156 281 43 PHE N N 115.726 0.066 1 157 282 44 GLU H H 6.966 0.006 1 158 282 44 GLU CA C 57.147 0.273 1 159 282 44 GLU CB C 30.309 0.273 1 160 282 44 GLU N N 116.747 0.066 1 161 283 45 ILE H H 6.959 0.006 1 162 283 45 ILE CA C 60.319 0.273 1 163 283 45 ILE CB C 38.683 0.273 1 164 283 45 ILE N N 119.167 0.066 1 165 284 46 PRO CA C 63.338 0.273 1 166 284 46 PRO CB C 32.059 0.273 1 167 285 47 MET H H 8.670 0.006 1 168 285 47 MET CA C 57.354 0.273 1 169 285 47 MET CB C 32.283 0.273 1 170 285 47 MET N N 122.091 0.066 1 171 286 48 ASN H H 8.383 0.006 1 172 286 48 ASN CA C 53.796 0.273 1 173 286 48 ASN CB C 38.906 0.273 1 174 286 48 ASN N N 114.421 0.066 1 175 287 49 PHE H H 7.512 0.006 1 176 287 49 PHE CA C 57.659 0.273 1 177 287 49 PHE CB C 39.055 0.273 1 178 287 49 PHE N N 114.115 0.066 1 179 288 50 VAL H H 8.961 0.006 1 180 288 50 VAL CA C 61.239 0.273 1 181 288 50 VAL CB C 33.325 0.273 1 182 288 50 VAL N N 123.082 0.066 1 183 289 51 ASP H H 8.673 0.006 1 184 289 51 ASP CA C 52.664 0.273 1 185 289 51 ASP CB C 42.627 0.273 1 186 289 51 ASP N N 128.773 0.066 1 187 290 52 PRO CA C 60.023 0.273 1 188 290 52 PRO CB C 29.729 0.273 1 189 291 53 LYS H H 8.200 0.006 1 190 291 53 LYS CA C 55.931 0.273 1 191 291 53 LYS CB C 29.157 0.273 1 192 291 53 LYS N N 113.830 0.066 1 193 292 54 GLU H H 7.293 0.006 1 194 292 54 GLU CA C 58.362 0.273 1 195 292 54 GLU CB C 29.498 0.273 1 196 292 54 GLU N N 115.421 0.066 1 197 293 55 TYR H H 7.360 0.006 1 198 293 55 TYR CA C 56.761 0.273 1 199 293 55 TYR CB C 39.780 0.273 1 200 293 55 TYR N N 115.819 0.066 1 201 294 56 ASP H H 7.897 0.006 1 202 294 56 ASP CA C 53.614 0.273 1 203 294 56 ASP CB C 39.650 0.273 1 204 294 56 ASP N N 123.379 0.066 1 205 295 57 ILE H H 7.445 0.006 1 206 295 57 ILE CA C 58.511 0.273 1 207 295 57 ILE CB C 40.990 0.273 1 208 295 57 ILE N N 123.035 0.066 1 209 296 58 PRO CA C 65.203 0.273 1 210 296 58 PRO CB C 31.515 0.273 1 211 297 59 GLY H H 8.592 0.006 1 212 297 59 GLY CA C 46.102 0.273 1 213 297 59 GLY N N 109.551 0.066 1 214 298 60 LEU H H 7.547 0.006 1 215 298 60 LEU CA C 57.769 0.273 1 216 298 60 LEU CB C 41.846 0.273 1 217 298 60 LEU N N 122.166 0.066 1 218 299 61 VAL H H 7.760 0.006 1 219 299 61 VAL CA C 65.212 0.273 1 220 299 61 VAL CB C 31.359 0.273 1 221 299 61 VAL N N 116.771 0.066 1 222 300 62 ARG H H 7.275 0.006 1 223 300 62 ARG CA C 57.562 0.273 1 224 300 62 ARG CB C 30.045 0.273 1 225 300 62 ARG N N 116.739 0.066 1 226 301 63 LYS H H 7.925 0.006 1 227 301 63 LYS CA C 55.694 0.273 1 228 301 63 LYS CB C 33.250 0.273 1 229 301 63 LYS N N 115.187 0.066 1 230 302 64 ASN H H 7.253 0.006 1 231 302 64 ASN CA C 52.343 0.273 1 232 302 64 ASN CB C 40.915 0.273 1 233 302 64 ASN N N 118.446 0.066 1 234 303 65 ARG H H 8.868 0.006 1 235 303 65 ARG CA C 59.578 0.273 1 236 303 65 ARG CB C 31.241 0.273 1 237 303 65 ARG N N 125.123 0.066 1 238 304 66 TYR H H 9.248 0.006 1 239 304 66 TYR CA C 56.821 0.273 1 240 304 66 TYR CB C 39.948 0.273 1 241 304 66 TYR N N 118.013 0.066 1 242 305 67 LYS H H 8.559 0.006 1 243 305 67 LYS CA C 59.520 0.273 1 244 305 67 LYS CB C 32.432 0.273 1 245 305 67 LYS N N 122.158 0.066 1 246 306 68 THR H H 7.435 0.006 1 247 306 68 THR CA C 61.446 0.273 1 248 306 68 THR CB C 69.194 0.273 1 249 306 68 THR N N 102.495 0.066 1 250 307 69 ILE H H 6.944 0.006 1 251 307 69 ILE CA C 61.387 0.273 1 252 307 69 ILE CB C 36.623 0.273 1 253 307 69 ILE N N 124.746 0.066 1 254 308 70 LEU H H 7.860 0.006 1 255 308 70 LEU CA C 51.958 0.273 1 256 308 70 LEU CB C 43.966 0.273 1 257 308 70 LEU N N 127.423 0.066 1 258 309 71 PRO CA C 64.373 0.273 1 259 309 71 PRO CB C 31.888 0.273 1 260 310 72 ASN H H 7.841 0.006 1 261 310 72 ASN CA C 51.306 0.273 1 262 310 72 ASN CB C 41.806 0.273 1 263 310 72 ASN N N 118.173 0.066 1 264 311 73 PRO CA C 66.694 0.273 1 265 311 73 PRO CB C 38.518 0.273 1 266 312 74 HIS H H 8.522 0.006 1 267 312 74 HIS CA C 59.786 0.273 1 268 312 74 HIS CB C 29.678 0.273 1 269 312 74 HIS N N 116.349 0.066 1 270 313 75 SER H H 6.568 0.006 1 271 313 75 SER CA C 56.346 0.273 1 272 313 75 SER CB C 64.431 0.273 1 273 313 75 SER N N 112.046 0.066 1 274 314 76 ARG H H 7.023 0.006 1 275 314 76 ARG CA C 57.087 0.273 1 276 314 76 ARG CB C 30.720 0.273 1 277 314 76 ARG N N 124.418 0.066 1 278 315 77 VAL H H 7.052 0.006 1 279 315 77 VAL CA C 62.425 0.273 1 280 315 77 VAL CB C 31.166 0.273 1 281 315 77 VAL N N 124.820 0.066 1 282 316 78 ARG H H 8.483 0.006 1 283 316 78 ARG CA C 55.546 0.273 1 284 316 78 ARG CB C 31.241 0.273 1 285 316 78 ARG N N 128.474 0.066 1 286 317 79 LEU H H 8.619 0.006 1 287 317 79 LEU CA C 54.063 0.273 1 288 317 79 LEU CB C 41.659 0.273 1 289 317 79 LEU N N 125.039 0.066 1 290 318 80 THR H H 8.715 0.006 1 291 318 80 THR CA C 63.255 0.273 1 292 318 80 THR CB C 69.715 0.273 1 293 318 80 THR N N 119.041 0.066 1 294 319 81 SER H H 8.215 0.006 1 295 319 81 SER CA C 55.872 0.273 1 296 319 81 SER CB C 64.925 0.273 1 297 319 81 SER N N 120.531 0.066 1 298 320 82 PRO CA C 64.471 0.273 1 299 320 82 PRO CB C 34.441 0.273 1 300 321 83 ASP H H 7.991 0.006 1 301 321 83 ASP CA C 52.108 0.273 1 302 321 83 ASP CB C 42.478 0.273 1 303 321 83 ASP N N 121.612 0.066 1 304 322 84 PRO CA C 64.488 0.273 1 305 322 84 PRO CB C 32.080 0.273 1 306 323 85 GLU H H 8.200 0.006 1 307 323 85 GLU CA C 56.643 0.273 1 308 323 85 GLU CB C 29.415 0.273 1 309 323 85 GLU N N 117.642 0.066 1 310 324 86 ASP H H 7.511 0.006 1 311 324 86 ASP CA C 51.335 0.273 1 312 324 86 ASP CB C 41.957 0.273 1 313 324 86 ASP N N 120.750 0.066 1 314 326 88 LEU CA C 57.032 0.273 1 315 326 88 LEU CB C 41.135 0.273 1 316 327 89 SER H H 7.774 0.006 1 317 327 89 SER CA C 61.364 0.273 1 318 327 89 SER CB C 63.657 0.273 1 319 327 89 SER N N 115.051 0.066 1 320 328 90 SER H H 7.653 0.006 1 321 328 90 SER CA C 59.252 0.273 1 322 328 90 SER CB C 65.373 0.273 1 323 328 90 SER N N 111.857 0.066 1 324 329 91 TYR H H 7.262 0.006 1 325 329 91 TYR CA C 60.290 0.273 1 326 329 91 TYR CB C 39.650 0.273 1 327 329 91 TYR N N 122.756 0.066 1 328 330 92 ILE H H 7.661 0.006 1 329 330 92 ILE CA C 60.497 0.273 1 330 330 92 ILE CB C 41.287 0.273 1 331 330 92 ILE N N 125.318 0.066 1 332 331 93 ASN H H 7.895 0.006 1 333 331 93 ASN CA C 52.403 0.273 1 334 331 93 ASN CB C 35.632 0.273 1 335 331 93 ASN N N 124.516 0.066 1 336 332 94 ALA H H 7.556 0.006 1 337 332 94 ALA CA C 51.826 0.273 1 338 332 94 ALA CB C 22.460 0.273 1 339 332 94 ALA N N 129.031 0.066 1 340 333 95 ASN H H 8.514 0.006 1 341 333 95 ASN CA C 54.627 0.273 1 342 333 95 ASN CB C 45.096 0.273 1 343 333 95 ASN N N 116.798 0.066 1 344 334 96 TYR H H 8.874 0.006 1 345 334 96 TYR CA C 59.815 0.273 1 346 334 96 TYR CB C 39.948 0.273 1 347 334 96 TYR N N 121.391 0.066 1 348 335 97 ILE H H 9.205 0.006 1 349 335 97 ILE CA C 57.888 0.273 1 350 335 97 ILE CB C 38.236 0.273 1 351 335 97 ILE N N 125.442 0.066 1 352 336 98 ARG H H 8.647 0.006 1 353 336 98 ARG CA C 56.346 0.273 1 354 336 98 ARG CB C 31.390 0.273 1 355 336 98 ARG N N 126.356 0.066 1 356 337 99 GLY H H 8.871 0.006 1 357 337 99 GLY CA C 42.707 0.273 1 358 337 99 GLY N N 104.945 0.066 1 359 338 100 TYR H H 9.382 0.006 1 360 338 100 TYR CA C 59.608 0.273 1 361 338 100 TYR CB C 38.087 0.273 1 362 338 100 TYR N N 125.184 0.066 1 363 339 101 SER H H 8.649 0.006 1 364 339 101 SER CA C 59.341 0.273 1 365 339 101 SER CB C 63.566 0.273 1 366 339 101 SER N N 125.051 0.066 1 367 340 102 GLY H H 7.990 0.006 1 368 340 102 GLY CA C 45.702 0.273 1 369 340 102 GLY N N 106.849 0.066 1 370 341 103 GLU H H 6.607 0.006 1 371 341 103 GLU CA C 57.325 0.273 1 372 341 103 GLU CB C 29.506 0.273 1 373 341 103 GLU N N 121.807 0.066 1 374 342 104 GLU H H 8.490 0.006 1 375 342 104 GLU CA C 58.185 0.273 1 376 342 104 GLU CB C 30.356 0.273 1 377 342 104 GLU N N 124.891 0.066 1 378 343 105 LYS H H 9.220 0.006 1 379 343 105 LYS CA C 58.185 0.273 1 380 343 105 LYS CB C 30.422 0.273 1 381 343 105 LYS N N 114.219 0.066 1 382 344 106 VAL H H 7.135 0.006 1 383 344 106 VAL CA C 65.746 0.273 1 384 344 106 VAL CB C 31.985 0.273 1 385 344 106 VAL N N 119.112 0.066 1 386 345 107 TYR H H 8.054 0.006 1 387 345 107 TYR CA C 54.846 0.273 1 388 345 107 TYR CB C 42.329 0.273 1 389 345 107 TYR N N 113.600 0.066 1 390 346 108 ILE CA C 61.209 0.273 1 391 346 108 ILE CB C 42.256 0.273 1 392 347 109 ALA H H 8.346 0.006 1 393 347 109 ALA CA C 49.994 0.273 1 394 347 109 ALA CB C 21.641 0.273 1 395 347 109 ALA N N 128.537 0.066 1 396 348 110 THR H H 8.316 0.006 1 397 348 110 THR CA C 58.362 0.273 1 398 348 110 THR CB C 71.868 0.273 1 399 348 110 THR N N 115.967 0.066 1 400 349 111 GLN H H 6.407 0.006 1 401 349 111 GLN CA C 53.559 0.273 1 402 349 111 GLN CB C 28.264 0.273 1 403 349 111 GLN N N 117.735 0.066 1 404 350 112 GLY H H 8.906 0.006 1 405 350 112 GLY CA C 44.990 0.273 1 406 350 112 GLY N N 112.757 0.066 1 407 351 113 PRO CA C 64.382 0.273 1 408 351 113 PRO CB C 31.687 0.273 1 409 352 114 ILE H H 7.409 0.006 1 410 352 114 ILE CA C 59.845 0.273 1 411 352 114 ILE CB C 40.022 0.273 1 412 352 114 ILE N N 117.691 0.066 1 413 353 115 VAL H H 8.496 0.006 1 414 353 115 VAL CA C 67.851 0.273 1 415 353 115 VAL CB C 31.166 0.273 1 416 353 115 VAL N N 122.514 0.066 1 417 354 116 SER H H 7.675 0.006 1 418 354 116 SER CA C 59.608 0.273 1 419 354 116 SER CB C 63.464 0.273 1 420 354 116 SER N N 109.465 0.066 1 421 355 117 THR H H 8.203 0.006 1 422 355 117 THR CA C 61.446 0.273 1 423 355 117 THR CB C 70.012 0.273 1 424 355 117 THR N N 112.496 0.066 1 425 356 118 VAL H H 7.021 0.006 1 426 356 118 VAL CA C 68.711 0.273 1 427 356 118 VAL CB C 32.059 0.273 1 428 356 118 VAL N N 124.756 0.066 1 429 357 119 ALA H H 8.179 0.006 1 430 357 119 ALA CA C 55.937 0.273 1 431 357 119 ALA CB C 17.771 0.273 1 432 357 119 ALA N N 119.624 0.066 1 433 358 120 ASP H H 7.303 0.006 1 434 358 120 ASP CA C 57.384 0.273 1 435 358 120 ASP CB C 40.320 0.273 1 436 358 120 ASP N N 119.435 0.066 1 437 359 121 PHE H H 8.327 0.006 1 438 359 121 PHE CA C 62.810 0.273 1 439 359 121 PHE CB C 38.253 0.273 1 440 359 121 PHE N N 120.670 0.066 1 441 373 135 MET CA C 53.707 0.273 1 442 373 135 MET CB C 33.771 0.273 1 443 374 136 ILE H H 8.324 0.006 1 444 374 136 ILE CA C 60.972 0.273 1 445 374 136 ILE CB C 37.194 0.273 1 446 374 136 ILE N N 128.642 0.066 1 447 375 137 THR H H 7.460 0.006 1 448 375 137 THR CA C 62.899 0.273 1 449 375 137 THR CB C 74.403 0.273 1 450 375 137 THR N N 121.009 0.066 1 451 376 138 ASN H H 9.228 0.006 1 452 376 138 ASN CA C 53.174 0.273 1 453 376 138 ASN CB C 38.534 0.273 1 454 376 138 ASN N N 125.813 0.066 1 455 377 139 ILE H H 9.013 0.006 1 456 377 139 ILE CA C 65.983 0.273 1 457 377 139 ILE CB C 38.162 0.273 1 458 377 139 ILE N N 122.582 0.066 1 459 378 140 GLU H H 9.301 0.006 1 460 378 140 GLU CA C 58.837 0.273 1 461 378 140 GLU CB C 28.190 0.273 1 462 378 140 GLU N N 118.991 0.066 1 463 379 141 GLU H H 7.647 0.006 1 464 379 141 GLU CA C 56.583 0.273 1 465 379 141 GLU CB C 30.647 0.273 1 466 379 141 GLU N N 118.000 0.066 1 467 380 142 MET H H 7.475 0.006 1 468 380 142 MET CA C 56.317 0.273 1 469 380 142 MET CB C 30.348 0.273 1 470 380 142 MET N N 120.442 0.066 1 471 381 143 ASN H H 8.342 0.006 1 472 381 143 ASN CA C 56.586 0.273 1 473 381 143 ASN CB C 38.227 0.273 1 474 381 143 ASN N N 116.798 0.066 1 475 382 144 GLU H H 7.923 0.006 1 476 382 144 GLU CA C 58.362 0.273 1 477 382 144 GLU CB C 30.769 0.273 1 478 382 144 GLU N N 119.407 0.066 1 479 389 151 PRO CA C 62.032 0.273 1 480 389 151 PRO CB C 32.182 0.273 1 481 390 152 GLU H H 8.277 0.006 1 482 390 152 GLU CA C 59.519 0.273 1 483 390 152 GLU CB C 29.614 0.273 1 484 390 152 GLU N N 119.871 0.066 1 485 391 153 GLU H H 8.180 0.006 1 486 391 153 GLU CA C 58.755 0.273 1 487 391 153 GLU CB C 31.739 0.273 1 488 391 153 GLU N N 116.296 0.066 1 489 392 154 GLN H H 7.920 0.006 1 490 392 154 GLN CA C 55.131 0.273 1 491 392 154 GLN CB C 33.622 0.273 1 492 392 154 GLN N N 118.210 0.066 1 493 393 155 VAL H H 8.656 0.006 1 494 393 155 VAL CA C 61.061 0.273 1 495 393 155 VAL CB C 34.784 0.273 1 496 393 155 VAL N N 124.536 0.066 1 497 394 156 VAL H H 7.550 0.006 1 498 394 156 VAL CA C 60.740 0.273 1 499 394 156 VAL CB C 32.857 0.273 1 500 394 156 VAL N N 124.876 0.066 1 501 395 157 HIS H H 8.330 0.006 1 502 395 157 HIS CA C 55.368 0.273 1 503 395 157 HIS CB C 33.399 0.273 1 504 395 157 HIS N N 124.946 0.066 1 505 396 158 ASP CA C 55.681 0.273 1 506 396 158 ASP CB C 40.618 0.273 1 507 397 159 GLY H H 7.918 0.006 1 508 397 159 GLY CA C 45.524 0.273 1 509 397 159 GLY N N 102.950 0.066 1 510 398 160 VAL H H 7.793 0.006 1 511 398 160 VAL CA C 61.683 0.273 1 512 398 160 VAL CB C 31.911 0.273 1 513 398 160 VAL N N 122.944 0.066 1 514 399 161 GLU H H 9.029 0.006 1 515 399 161 GLU CA C 55.961 0.273 1 516 399 161 GLU CB C 31.440 0.273 1 517 399 161 GLU N N 128.564 0.066 1 518 400 162 ILE H H 9.273 0.006 1 519 400 162 ILE CA C 61.505 0.273 1 520 400 162 ILE CB C 39.278 0.273 1 521 400 162 ILE N N 134.006 0.066 1 522 401 163 THR H H 8.946 0.006 1 523 401 163 THR CA C 61.357 0.273 1 524 401 163 THR CB C 71.203 0.273 1 525 401 163 THR N N 122.166 0.066 1 526 402 164 VAL H H 8.738 0.006 1 527 402 164 VAL CA C 63.759 0.273 1 528 402 164 VAL CB C 30.943 0.273 1 529 402 164 VAL N N 127.079 0.066 1 530 403 165 GLN H H 9.270 0.006 1 531 403 165 GLN CA C 57.562 0.273 1 532 403 165 GLN CB C 29.753 0.273 1 533 403 165 GLN N N 128.701 0.066 1 534 404 166 LYS H H 7.446 0.006 1 535 404 166 LYS CA C 56.465 0.273 1 536 404 166 LYS CB C 36.376 0.273 1 537 404 166 LYS N N 116.911 0.066 1 538 405 167 VAL H H 8.427 0.006 1 539 405 167 VAL CA C 61.950 0.273 1 540 405 167 VAL CB C 33.101 0.273 1 541 405 167 VAL N N 124.173 0.066 1 542 406 168 ILE H H 9.765 0.006 1 543 406 168 ILE CA C 61.150 0.273 1 544 406 168 ILE CB C 40.469 0.273 1 545 406 168 ILE N N 130.776 0.066 1 546 407 169 HIS H H 9.014 0.006 1 547 407 169 HIS CA C 56.824 0.273 1 548 407 169 HIS CB C 31.589 0.273 1 549 407 169 HIS N N 128.060 0.066 1 550 408 170 THR H H 8.024 0.006 1 551 408 170 THR CA C 60.290 0.273 1 552 408 170 THR CB C 71.563 0.273 1 553 408 170 THR N N 116.678 0.066 1 554 409 171 GLU H H 8.551 0.006 1 555 409 171 GLU CA C 60.201 0.273 1 556 409 171 GLU CB C 29.306 0.273 1 557 409 171 GLU N N 119.473 0.066 1 558 410 172 ASP H H 7.681 0.006 1 559 410 172 ASP CA C 55.308 0.273 1 560 410 172 ASP CB C 43.966 0.273 1 561 410 172 ASP N N 112.994 0.066 1 562 411 173 TYR H H 6.824 0.006 1 563 411 173 TYR CA C 57.206 0.273 1 564 411 173 TYR CB C 40.097 0.273 1 565 411 173 TYR N N 112.240 0.066 1 566 412 174 ARG H H 8.969 0.006 1 567 412 174 ARG CA C 55.308 0.273 1 568 412 174 ARG CB C 30.497 0.273 1 569 412 174 ARG N N 118.909 0.066 1 570 413 175 LEU H H 9.681 0.006 1 571 413 175 LEU CA C 53.411 0.273 1 572 413 175 LEU CB C 44.264 0.273 1 573 413 175 LEU N N 131.694 0.066 1 574 418 180 LEU CA C 54.271 0.273 1 575 418 180 LEU CB C 45.295 0.273 1 576 419 181 ARG H H 8.865 0.006 1 577 419 181 ARG CA C 55.042 0.273 1 578 419 181 ARG CB C 34.515 0.273 1 579 419 181 ARG N N 122.769 0.066 1 580 420 182 ARG H H 8.410 0.006 1 581 420 182 ARG CA C 56.164 0.273 1 582 420 182 ARG CB C 32.208 0.273 1 583 420 182 ARG N N 127.572 0.066 1 584 421 183 GLY H H 9.088 0.006 1 585 421 183 GLY CA C 47.362 0.273 1 586 421 183 GLY N N 119.777 0.066 1 587 422 184 THR H H 8.694 0.006 1 588 422 184 THR CA C 62.247 0.273 1 589 422 184 THR CB C 69.400 0.273 1 590 422 184 THR N N 118.139 0.066 1 591 423 185 GLU H H 8.041 0.006 1 592 423 185 GLU CA C 56.821 0.273 1 593 423 185 GLU CB C 31.241 0.273 1 594 423 185 GLU N N 125.447 0.066 1 595 424 186 GLU H H 8.524 0.006 1 596 424 186 GLU CA C 55.338 0.273 1 597 424 186 GLU CB C 32.854 0.273 1 598 424 186 GLU N N 126.157 0.066 1 599 425 187 ARG H H 9.526 0.006 1 600 425 187 ARG CA C 55.042 0.273 1 601 425 187 ARG CB C 35.408 0.273 1 602 425 187 ARG N N 124.244 0.066 1 603 426 188 THR H H 8.518 0.006 1 604 426 188 THR CA C 61.505 0.273 1 605 426 188 THR CB C 71.798 0.273 1 606 426 188 THR N N 113.827 0.066 1 607 427 189 LEU H H 9.041 0.006 1 608 427 189 LEU CA C 54.745 0.273 1 609 427 189 LEU CB C 45.529 0.273 1 610 427 189 LEU N N 124.895 0.066 1 611 454 216 VAL CA C 67.258 0.273 1 612 455 217 GLU H H 8.079 0.006 1 613 455 217 GLU CA C 60.497 0.273 1 614 455 217 GLU CB C 29.604 0.273 1 615 455 217 GLU N N 120.221 0.066 1 616 456 218 GLU H H 8.177 0.006 1 617 456 218 GLU CA C 59.870 0.273 1 618 456 218 GLU CB C 29.008 0.273 1 619 456 218 GLU N N 120.301 0.066 1 620 457 219 ALA H H 8.306 0.006 1 621 457 219 ALA CA C 55.457 0.273 1 622 457 219 ALA CB C 17.846 0.273 1 623 457 219 ALA N N 124.049 0.066 1 624 458 220 ALA H H 8.806 0.006 1 625 458 220 ALA CA C 55.486 0.273 1 626 458 220 ALA CB C 18.218 0.273 1 627 458 220 ALA N N 123.558 0.066 1 628 459 221 GLN H H 7.940 0.006 1 629 459 221 GLN CA C 58.718 0.273 1 630 459 221 GLN CB C 27.876 0.273 1 631 459 221 GLN N N 118.944 0.066 1 632 460 222 GLN H H 7.599 0.006 1 633 460 222 GLN CA C 57.769 0.273 1 634 460 222 GLN CB C 28.190 0.273 1 635 460 222 GLN N N 118.031 0.066 1 636 461 223 GLU H H 7.470 0.006 1 637 461 223 GLU CA C 57.236 0.273 1 638 461 223 GLU CB C 29.997 0.273 1 639 461 223 GLU N N 117.632 0.066 1 640 462 224 GLY H H 7.354 0.006 1 641 462 224 GLY CA C 44.552 0.273 1 642 462 224 GLY N N 106.717 0.066 1 643 463 225 PRO CA C 64.352 0.273 1 644 463 225 PRO CB C 31.888 0.273 1 645 464 226 HIS H H 8.122 0.006 1 646 464 226 HIS CA C 54.804 0.273 1 647 464 226 HIS CB C 29.054 0.273 1 648 464 226 HIS N N 116.931 0.066 1 649 465 227 CYS H H 8.166 0.006 1 650 465 227 CYS CA C 59.756 0.273 1 651 465 227 CYS CB C 28.041 0.273 1 652 465 227 CYS N N 124.350 0.066 1 653 466 228 SER H H 8.416 0.006 1 654 466 228 SER CA C 61.179 0.273 1 655 466 228 SER CB C 62.607 0.273 1 656 466 228 SER N N 126.546 0.066 1 657 470 232 VAL CA C 63.700 0.273 1 658 470 232 VAL CB C 34.325 0.273 1 659 471 233 HIS H H 8.454 0.006 1 660 471 233 HIS CA C 55.160 0.273 1 661 471 233 HIS CB C 28.645 0.273 1 662 471 233 HIS N N 120.731 0.066 1 663 472 234 CYS H H 8.655 0.006 1 664 472 234 CYS CA C 60.082 0.273 1 665 472 234 CYS CB C 27.594 0.273 1 666 472 234 CYS N N 125.873 0.066 1 667 473 235 SER H H 8.510 0.006 1 668 473 235 SER CA C 61.090 0.273 1 669 473 235 SER CB C 62.571 0.273 1 670 473 235 SER N N 126.833 0.066 1 671 474 236 ALA CA C 52.106 0.273 1 672 474 236 ALA CB C 20.078 0.273 1 673 475 237 GLY H H 8.652 0.006 1 674 475 237 GLY CA C 48.074 0.273 1 675 475 237 GLY N N 110.774 0.066 1 676 476 238 ILE H H 7.394 0.006 1 677 476 238 ILE CA C 62.247 0.273 1 678 476 238 ILE CB C 40.469 0.273 1 679 476 238 ILE N N 107.934 0.066 1 680 477 239 GLY CA C 48.489 0.273 1 681 478 240 ARG H H 8.576 0.006 1 682 478 240 ARG CA C 60.497 0.273 1 683 478 240 ARG CB C 28.785 0.273 1 684 478 240 ARG N N 129.733 0.066 1 685 479 241 THR H H 8.957 0.006 1 686 479 241 THR CA C 68.414 0.273 1 687 479 241 THR CB C 69.301 0.273 1 688 479 241 THR N N 118.208 0.066 1 689 480 242 GLY H H 6.439 0.006 1 690 480 242 GLY CA C 48.103 0.273 1 691 480 242 GLY N N 107.450 0.066 1 692 481 243 CYS H H 8.073 0.006 1 693 481 243 CYS CA C 63.996 0.273 1 694 481 243 CYS CB C 27.570 0.273 1 695 481 243 CYS N N 119.668 0.066 1 696 482 244 PHE H H 8.567 0.006 1 697 482 244 PHE CA C 63.166 0.273 1 698 482 244 PHE CB C 39.650 0.273 1 699 482 244 PHE N N 122.145 0.066 1 700 483 245 ILE H H 8.160 0.006 1 701 483 245 ILE CA C 66.754 0.273 1 702 483 245 ILE CB C 37.715 0.273 1 703 483 245 ILE N N 121.897 0.066 1 704 484 246 ALA H H 8.745 0.006 1 705 484 246 ALA CA C 56.020 0.273 1 706 484 246 ALA CB C 18.536 0.273 1 707 484 246 ALA N N 120.050 0.066 1 708 487 249 ILE CA C 66.694 0.273 1 709 487 249 ILE CB C 38.402 0.273 1 710 488 250 CYS H H 8.544 0.006 1 711 488 250 CYS CA C 64.856 0.273 1 712 488 250 CYS CB C 26.627 0.273 1 713 488 250 CYS N N 117.228 0.066 1 714 489 251 CYS H H 8.391 0.006 1 715 489 251 CYS CA C 65.034 0.273 1 716 489 251 CYS CB C 26.478 0.273 1 717 489 251 CYS N N 120.091 0.066 1 718 490 252 GLN H H 6.786 0.006 1 719 490 252 GLN CA C 59.519 0.273 1 720 490 252 GLN CB C 27.148 0.273 1 721 490 252 GLN N N 118.749 0.066 1 722 491 253 GLN H H 8.077 0.006 1 723 491 253 GLN CA C 60.408 0.273 1 724 491 253 GLN N N 119.868 0.066 1 725 492 254 LEU H H 8.634 0.006 1 726 492 254 LEU CA C 58.582 0.273 1 727 492 254 LEU CB C 41.287 0.273 1 728 492 254 LEU N N 121.181 0.066 1 729 493 255 ARG H H 7.734 0.006 1 730 493 255 ARG CA C 60.497 0.273 1 731 493 255 ARG CB C 31.092 0.273 1 732 493 255 ARG N N 117.479 0.066 1 733 494 256 ARG H H 7.882 0.006 1 734 494 256 ARG CA C 58.659 0.273 1 735 494 256 ARG CB C 31.315 0.273 1 736 494 256 ARG N N 115.882 0.066 1 737 495 257 GLU H H 9.140 0.006 1 738 495 257 GLU CA C 56.791 0.273 1 739 495 257 GLU CB C 32.655 0.273 1 740 495 257 GLU N N 115.681 0.066 1 741 496 258 GLY H H 8.009 0.006 1 742 496 258 GLY CA C 46.413 0.273 1 743 496 258 GLY N N 107.950 0.066 1 744 497 259 VAL H H 7.150 0.006 1 745 497 259 VAL CA C 58.896 0.273 1 746 497 259 VAL CB C 36.004 0.273 1 747 497 259 VAL N N 111.365 0.066 1 748 498 260 VAL H H 8.130 0.006 1 749 498 260 VAL CA C 59.726 0.273 1 750 498 260 VAL CB C 35.855 0.273 1 751 498 260 VAL N N 109.988 0.066 1 752 499 261 ASP H H 8.096 0.006 1 753 499 261 ASP CA C 52.314 0.273 1 754 499 261 ASP CB C 41.957 0.273 1 755 499 261 ASP N N 125.577 0.066 1 756 500 262 ILE H H 8.531 0.006 1 757 500 262 ILE CA C 65.805 0.273 1 758 500 262 ILE CB C 38.013 0.273 1 759 500 262 ILE N N 130.850 0.066 1 760 501 263 LEU H H 9.570 0.006 1 761 501 263 LEU CA C 59.430 0.273 1 762 501 263 LEU CB C 41.287 0.273 1 763 501 263 LEU N N 128.933 0.066 1 764 508 270 ARG CA C 57.918 0.273 1 765 508 270 ARG CB C 30.348 0.273 1 766 509 271 GLN H H 7.674 0.006 1 767 509 271 GLN CA C 58.896 0.273 1 768 509 271 GLN CB C 29.008 0.273 1 769 509 271 GLN N N 116.443 0.066 1 770 510 272 ASP H H 7.171 0.006 1 771 510 272 ASP CA C 57.651 0.273 1 772 510 272 ASP CB C 42.776 0.273 1 773 510 272 ASP N N 119.040 0.066 1 774 511 273 ARG H H 8.452 0.006 1 775 511 273 ARG CA C 56.465 0.273 1 776 511 273 ARG CB C 32.134 0.273 1 777 511 273 ARG N N 121.690 0.066 1 778 512 274 GLY H H 9.239 0.006 1 779 512 274 GLY CA C 47.688 0.273 1 780 512 274 GLY N N 114.147 0.066 1 781 513 275 GLY H H 8.100 0.006 1 782 513 275 GLY CA C 45.634 0.273 1 783 513 275 GLY N N 105.595 0.066 1 784 514 276 MET H H 6.617 0.006 1 785 514 276 MET CA C 57.325 0.273 1 786 514 276 MET CB C 34.590 0.273 1 787 514 276 MET N N 115.086 0.066 1 788 515 277 ILE H H 8.469 0.006 1 789 515 277 ILE CA C 67.646 0.273 1 790 515 277 ILE CB C 33.920 0.273 1 791 515 277 ILE N N 115.291 0.066 1 792 516 278 GLN H H 7.996 0.006 1 793 516 278 GLN CA C 58.392 0.273 1 794 516 278 GLN CB C 31.762 0.273 1 795 516 278 GLN N N 124.170 0.066 1 796 517 279 THR H H 7.303 0.006 1 797 517 279 THR CA C 58.458 0.273 1 798 517 279 THR CB C 72.607 0.273 1 799 517 279 THR N N 105.556 0.066 1 800 518 280 CYS H H 8.986 0.006 1 801 518 280 CYS CA C 61.031 0.273 1 802 518 280 CYS CB C 26.181 0.273 1 803 518 280 CYS N N 122.596 0.066 1 804 519 281 GLU H H 8.637 0.006 1 805 519 281 GLU CA C 60.735 0.273 1 806 519 281 GLU CB C 28.711 0.273 1 807 519 281 GLU N N 121.233 0.066 1 808 520 282 GLN H H 7.649 0.006 1 809 520 282 GLN CA C 59.608 0.273 1 810 520 282 GLN CB C 28.233 0.273 1 811 520 282 GLN N N 121.275 0.066 1 812 521 283 TYR H H 7.689 0.006 1 813 521 283 TYR CA C 62.484 0.273 1 814 521 283 TYR CB C 39.810 0.273 1 815 521 283 TYR N N 122.327 0.066 1 816 522 284 GLN H H 9.066 0.006 1 817 522 284 GLN CA C 59.898 0.273 1 818 522 284 GLN CB C 27.357 0.273 1 819 522 284 GLN N N 121.364 0.066 1 820 523 285 PHE H H 8.401 0.006 1 821 523 285 PHE CA C 60.712 0.273 1 822 523 285 PHE CB C 38.980 0.273 1 823 523 285 PHE N N 123.294 0.066 1 824 524 286 VAL H H 7.837 0.006 1 825 524 286 VAL CA C 67.110 0.273 1 826 524 286 VAL CB C 31.360 0.273 1 827 524 286 VAL N N 117.059 0.066 1 828 525 287 HIS H H 7.100 0.006 1 829 525 287 HIS CA C 62.929 0.273 1 830 525 287 HIS CB C 27.297 0.273 1 831 525 287 HIS N N 116.862 0.066 1 832 526 288 HIS H H 8.551 0.006 1 833 526 288 HIS CA C 60.163 0.273 1 834 526 288 HIS CB C 29.282 0.273 1 835 526 288 HIS N N 119.473 0.066 1 836 527 289 ALA CA C 55.575 0.273 1 837 527 289 ALA CB C 16.238 0.273 1 838 528 290 MET H H 8.004 0.006 1 839 528 290 MET CA C 55.486 0.273 1 840 528 290 MET N N 114.413 0.066 1 841 529 291 SER H H 8.327 0.006 1 842 529 291 SER CA C 61.166 0.273 1 843 529 291 SER CB C 63.017 0.273 1 844 529 291 SER N N 116.015 0.066 1 845 530 292 LEU H H 7.776 0.006 1 846 530 292 LEU CA C 58.185 0.273 1 847 530 292 LEU CB C 40.766 0.273 1 848 530 292 LEU N N 119.812 0.066 1 849 531 293 TYR H H 8.511 0.006 1 850 531 293 TYR CA C 61.417 0.273 1 851 531 293 TYR CB C 37.938 0.273 1 852 531 293 TYR N N 120.678 0.066 1 853 532 294 GLU H H 8.321 0.006 1 854 532 294 GLU CA C 61.222 0.273 1 855 532 294 GLU CB C 28.233 0.273 1 856 532 294 GLU N N 119.139 0.066 1 857 533 295 LYS H H 7.557 0.006 1 858 533 295 LYS CA C 59.786 0.273 1 859 533 295 LYS CB C 32.004 0.273 1 860 533 295 LYS N N 118.031 0.066 1 861 534 296 GLN H H 8.039 0.006 1 862 534 296 GLN CA C 58.629 0.273 1 863 534 296 GLN CB C 27.892 0.273 1 864 534 296 GLN N N 119.634 0.066 1 865 535 297 LEU H H 8.091 0.006 1 866 535 297 LEU CA C 57.325 0.273 1 867 535 297 LEU CB C 41.734 0.273 1 868 535 297 LEU N N 121.442 0.066 1 869 536 298 SER H H 7.895 0.006 1 870 536 298 SER CA C 59.726 0.273 1 871 536 298 SER CB C 63.761 0.273 1 872 536 298 SER N N 113.755 0.066 1 873 537 299 HIS H H 7.689 0.006 1 874 537 299 HIS CA C 56.672 0.273 1 875 537 299 HIS CB C 28.934 0.273 1 876 537 299 HIS N N 119.871 0.066 1 877 538 300 GLN H H 8.096 0.006 1 878 538 300 GLN CA C 56.376 0.273 1 879 538 300 GLN CB C 29.529 0.273 1 880 538 300 GLN N N 121.516 0.066 1 881 539 301 SER H H 7.873 0.006 1 882 539 301 SER CA C 60.438 0.273 1 883 539 301 SER CB C 65.101 0.273 1 884 539 301 SER N N 123.325 0.066 1 stop_ save_