data_34182 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the LEDGF/p75 IBD - IWS1 (aa 446-548) complex ; _BMRB_accession_number 34182 _BMRB_flat_file_name bmr34182.str _Entry_type original _Submission_date 2017-10-03 _Accession_date 2017-10-03 _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 Veverka V. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1155 "13C chemical shifts" 850 "15N chemical shifts" 214 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-08-09 update BMRB 'update entry citation' 2018-07-20 original author 'original release' stop_ _Original_release_date 2018-07-17 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Affinity switching of the LEDGF/p75 IBD interactome is governed by kinase-dependent phosphorylation. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29997176 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sharma S. . . 2 Cermakova K. . . 3 'De Rijck' J. . . 4 Demeulemeester J. . . 5 Fabry M. . . 6 'El Ashkar' S. . . 7 'Van Belle' S. . . 8 Lepsik M. . . 9 Tesina P. . . 10 Duchoslav V. . . 11 Novak P. . . 12 Hubalek M. . . 13 Srb P. . . 14 Christ F. . . 15 Rezacova P. . . 16 Hodges H. C. . 17 Debyser Z. . . 18 Veverka V. . . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_volume 115 _Journal_issue 30 _Journal_ASTM PNASA6 _Journal_ISSN 1091-6490 _Journal_CSD 0040 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first E7053 _Page_last E7062 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PC4 and SFRS1-interacting protein,Protein IWS1 homolog' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 23837.502 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 206 _Mol_residue_sequence ; SNAASWETSMDSRLQRIHAE IKNSLKIDNLDVNRCIEALD ELASLQVTMQQAQKHTEMIT TLKKIRRFKVSQVIMEKSTM LYNKFKNMFLVGEGDSVITQ VLNKELSDKKNEEKDLFGSD SESGNEEENLIADIFGESGD EEEEEFTGFNQEDLEEEKGE TQVKEAEDSDSDDNIKRGKH MDFLSDFEMMLQRKKSMSGK RRRNRD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 339 SER 2 340 ASN 3 341 ALA 4 342 ALA 5 343 SER 6 344 TRP 7 345 GLU 8 346 THR 9 347 SER 10 348 MET 11 349 ASP 12 350 SER 13 351 ARG 14 352 LEU 15 353 GLN 16 354 ARG 17 355 ILE 18 356 HIS 19 357 ALA 20 358 GLU 21 359 ILE 22 360 LYS 23 361 ASN 24 362 SER 25 363 LEU 26 364 LYS 27 365 ILE 28 366 ASP 29 367 ASN 30 368 LEU 31 369 ASP 32 370 VAL 33 371 ASN 34 372 ARG 35 373 CYS 36 374 ILE 37 375 GLU 38 376 ALA 39 377 LEU 40 378 ASP 41 379 GLU 42 380 LEU 43 381 ALA 44 382 SER 45 383 LEU 46 384 GLN 47 385 VAL 48 386 THR 49 387 MET 50 388 GLN 51 389 GLN 52 390 ALA 53 391 GLN 54 392 LYS 55 393 HIS 56 394 THR 57 395 GLU 58 396 MET 59 397 ILE 60 398 THR 61 399 THR 62 400 LEU 63 401 LYS 64 402 LYS 65 403 ILE 66 404 ARG 67 405 ARG 68 406 PHE 69 407 LYS 70 408 VAL 71 409 SER 72 410 GLN 73 411 VAL 74 412 ILE 75 413 MET 76 414 GLU 77 415 LYS 78 416 SER 79 417 THR 80 418 MET 81 419 LEU 82 420 TYR 83 421 ASN 84 422 LYS 85 423 PHE 86 424 LYS 87 425 ASN 88 426 MET 89 427 PHE 90 428 LEU 91 429 VAL 92 430 GLY 93 431 GLU 94 432 GLY 95 433 ASP 96 434 SER 97 435 VAL 98 436 ILE 99 437 THR 100 438 GLN 101 439 VAL 102 440 LEU 103 441 ASN 104 442 LYS 105 447 GLU 106 448 LEU 107 449 SER 108 450 ASP 109 451 LYS 110 452 LYS 111 453 ASN 112 454 GLU 113 455 GLU 114 456 LYS 115 457 ASP 116 458 LEU 117 459 PHE 118 460 GLY 119 461 SER 120 462 ASP 121 463 SER 122 464 GLU 123 465 SER 124 466 GLY 125 467 ASN 126 468 GLU 127 469 GLU 128 470 GLU 129 471 ASN 130 472 LEU 131 473 ILE 132 474 ALA 133 475 ASP 134 476 ILE 135 477 PHE 136 478 GLY 137 479 GLU 138 480 SER 139 481 GLY 140 482 ASP 141 483 GLU 142 484 GLU 143 485 GLU 144 486 GLU 145 487 GLU 146 488 PHE 147 489 THR 148 490 GLY 149 491 PHE 150 492 ASN 151 493 GLN 152 494 GLU 153 495 ASP 154 496 LEU 155 497 GLU 156 498 GLU 157 499 GLU 158 500 LYS 159 501 GLY 160 502 GLU 161 503 THR 162 504 GLN 163 505 VAL 164 506 LYS 165 507 GLU 166 508 ALA 167 509 GLU 168 510 ASP 169 511 SER 170 512 ASP 171 513 SER 172 514 ASP 173 515 ASP 174 516 ASN 175 517 ILE 176 518 LYS 177 519 ARG 178 520 GLY 179 521 LYS 180 522 HIS 181 523 MET 182 524 ASP 183 525 PHE 184 526 LEU 185 527 SER 186 528 ASP 187 529 PHE 188 530 GLU 189 531 MET 190 532 MET 191 533 LEU 192 534 GLN 193 535 ARG 194 536 LYS 195 537 LYS 196 538 SER 197 539 MET 198 540 SER 199 541 GLY 200 542 LYS 201 543 ARG 202 544 ARG 203 545 ARG 204 546 ASN 205 547 ARG 206 548 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'PSIP1, DFS70, LEDGF, PSIP2; IWS1, IWS1L' 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 $entity_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.5 mM [U-13C; U-15N] LEDGF/p75 IBD-IWS1, 50 mM TRIS, 150 mM sodium chloride, 95% H2O/5% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.5 mM '[U-13C; U-15N]' TRIS 50 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name SPARKY _Version . loop_ _Task 'structure solution' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D HNCO' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 1 340 2 ASN HA H 4.754 0.00 1 2 340 2 ASN HB2 H 2.846 0.00 2 3 340 2 ASN HB3 H 2.773 0.00 2 4 340 2 ASN C C 174.941 0.00 1 5 340 2 ASN CA C 53.203 0.00 1 6 340 2 ASN CB C 39.032 0.00 1 7 341 3 ALA H H 8.358 0.00 1 8 341 3 ALA HA H 4.172 0.00 1 9 341 3 ALA HB H 1.340 0.00 1 10 341 3 ALA C C 177.613 0.00 1 11 341 3 ALA CA C 52.867 0.01 1 12 341 3 ALA CB C 19.148 0.00 1 13 341 3 ALA N N 124.720 0.01 1 14 342 4 ALA H H 8.266 0.00 1 15 342 4 ALA HA H 4.236 0.00 1 16 342 4 ALA HB H 1.245 0.00 1 17 342 4 ALA C C 178.198 0.00 1 18 342 4 ALA CA C 52.673 0.03 1 19 342 4 ALA CB C 18.971 0.02 1 20 342 4 ALA N N 123.011 0.01 1 21 343 5 SER H H 8.173 0.00 1 22 343 5 SER HA H 4.367 0.00 1 23 343 5 SER HB2 H 3.847 0.00 2 24 343 5 SER HB3 H 3.903 0.00 2 25 343 5 SER C C 174.888 0.00 1 26 343 5 SER CA C 58.729 0.01 1 27 343 5 SER CB C 63.680 0.00 1 28 343 5 SER N N 114.911 0.01 1 29 344 6 TRP H H 8.014 0.00 1 30 344 6 TRP HA H 4.650 0.00 1 31 344 6 TRP HB2 H 3.342 0.00 2 32 344 6 TRP HB3 H 3.342 0.00 2 33 344 6 TRP HD1 H 7.265 0.00 1 34 344 6 TRP HE1 H 10.201 0.00 1 35 344 6 TRP HE3 H 7.603 0.00 1 36 344 6 TRP HZ2 H 7.498 0.00 1 37 344 6 TRP HZ3 H 7.152 0.00 1 38 344 6 TRP HH2 H 7.231 0.00 1 39 344 6 TRP C C 176.833 0.00 1 40 344 6 TRP CA C 57.819 0.00 1 41 344 6 TRP CB C 29.334 0.01 1 42 344 6 TRP CD1 C 127.265 0.00 1 43 344 6 TRP CE3 C 120.867 0.00 1 44 344 6 TRP CZ2 C 114.789 0.00 1 45 344 6 TRP CZ3 C 122.132 0.00 1 46 344 6 TRP CH2 C 124.734 0.00 1 47 344 6 TRP N N 122.350 0.01 1 48 344 6 TRP NE1 N 129.814 0.00 1 49 345 7 GLU H H 8.279 0.00 1 50 345 7 GLU HA H 4.171 0.00 1 51 345 7 GLU HB2 H 1.993 0.00 2 52 345 7 GLU HB3 H 1.903 0.00 2 53 345 7 GLU HG2 H 2.119 0.00 2 54 345 7 GLU HG3 H 2.064 0.00 2 55 345 7 GLU C C 177.288 0.00 1 56 345 7 GLU CA C 57.770 0.01 1 57 345 7 GLU CB C 30.108 0.03 1 58 345 7 GLU CG C 36.313 0.02 1 59 345 7 GLU N N 121.355 0.01 1 60 346 8 THR H H 8.158 0.00 1 61 346 8 THR HA H 4.374 0.00 1 62 346 8 THR HB H 4.373 0.00 1 63 346 8 THR HG2 H 1.266 0.00 1 64 346 8 THR C C 175.533 0.00 1 65 346 8 THR CA C 62.599 0.05 1 66 346 8 THR CB C 69.902 0.01 1 67 346 8 THR CG2 C 21.799 0.00 1 68 346 8 THR N N 113.636 0.01 1 69 347 9 SER H H 8.362 0.00 1 70 347 9 SER CA C 59.110 0.00 1 71 347 9 SER CB C 63.842 0.00 1 72 347 9 SER N N 118.382 0.03 1 73 348 10 MET HA H 4.402 0.00 1 74 348 10 MET HB2 H 1.977 0.00 2 75 348 10 MET HB3 H 1.891 0.00 2 76 348 10 MET HG2 H 2.521 0.03 2 77 348 10 MET HG3 H 2.403 0.00 2 78 348 10 MET HE H 2.096 0.00 1 79 348 10 MET C C 177.891 0.00 1 80 348 10 MET CA C 57.243 0.00 1 81 348 10 MET CB C 32.819 0.01 1 82 348 10 MET CG C 32.061 0.04 1 83 348 10 MET CE C 16.872 0.05 1 84 349 11 ASP H H 8.279 0.00 1 85 349 11 ASP HA H 4.393 0.00 1 86 349 11 ASP HB2 H 2.844 0.00 2 87 349 11 ASP HB3 H 2.844 0.00 2 88 349 11 ASP C C 178.133 0.01 1 89 349 11 ASP CA C 58.392 0.01 1 90 349 11 ASP CB C 41.046 0.02 1 91 349 11 ASP N N 118.600 0.06 1 92 350 12 SER H H 7.899 0.00 1 93 350 12 SER HA H 4.220 0.00 1 94 350 12 SER HB2 H 3.920 0.00 2 95 350 12 SER HB3 H 3.920 0.00 2 96 350 12 SER C C 177.254 0.00 1 97 350 12 SER CA C 61.508 0.00 1 98 350 12 SER CB C 62.766 0.02 1 99 350 12 SER N N 114.339 0.02 1 100 351 13 ARG H H 8.047 0.00 1 101 351 13 ARG HA H 4.048 0.01 1 102 351 13 ARG HB2 H 1.951 0.00 2 103 351 13 ARG HB3 H 1.951 0.00 2 104 351 13 ARG HG2 H 1.777 0.00 2 105 351 13 ARG HG3 H 1.581 0.00 2 106 351 13 ARG HD2 H 3.163 0.00 2 107 351 13 ARG HD3 H 3.142 0.00 2 108 351 13 ARG C C 178.529 0.01 1 109 351 13 ARG CA C 59.693 0.01 1 110 351 13 ARG CB C 30.387 0.00 1 111 351 13 ARG CG C 27.222 0.00 1 112 351 13 ARG CD C 43.862 0.02 1 113 351 13 ARG N N 123.516 0.03 1 114 352 14 LEU H H 8.421 0.00 1 115 352 14 LEU HA H 3.845 0.00 1 116 352 14 LEU HB2 H 1.258 0.00 2 117 352 14 LEU HB3 H 0.762 0.00 2 118 352 14 LEU HG H 1.628 0.00 1 119 352 14 LEU HD1 H 0.367 0.00 2 120 352 14 LEU HD2 H 0.575 0.00 2 121 352 14 LEU C C 179.562 0.00 1 122 352 14 LEU CA C 58.085 0.02 1 123 352 14 LEU CB C 40.602 0.11 1 124 352 14 LEU CG C 26.430 0.02 1 125 352 14 LEU CD1 C 25.284 0.00 2 126 352 14 LEU CD2 C 23.183 0.00 2 127 352 14 LEU N N 118.238 0.03 1 128 353 15 GLN H H 8.165 0.01 1 129 353 15 GLN HA H 4.266 0.00 1 130 353 15 GLN HB2 H 2.313 0.00 2 131 353 15 GLN HB3 H 2.221 0.00 2 132 353 15 GLN HG2 H 2.690 0.00 2 133 353 15 GLN HG3 H 2.570 0.00 2 134 353 15 GLN HE21 H 7.557 0.00 2 135 353 15 GLN HE22 H 6.929 0.00 2 136 353 15 GLN C C 179.096 0.00 1 137 353 15 GLN CA C 59.489 0.01 1 138 353 15 GLN CB C 28.465 0.10 1 139 353 15 GLN CG C 34.359 0.12 1 140 353 15 GLN N N 119.398 0.01 1 141 353 15 GLN NE2 N 111.404 0.00 1 142 354 16 ARG H H 8.004 0.01 1 143 354 16 ARG HA H 4.144 0.00 1 144 354 16 ARG HB2 H 2.052 0.00 2 145 354 16 ARG HB3 H 1.931 0.00 2 146 354 16 ARG HG2 H 1.719 0.00 2 147 354 16 ARG HG3 H 1.614 0.00 2 148 354 16 ARG HD2 H 3.229 0.00 2 149 354 16 ARG HD3 H 3.131 0.00 2 150 354 16 ARG HE H 7.425 0.00 1 151 354 16 ARG C C 178.772 0.01 1 152 354 16 ARG CA C 59.648 0.00 1 153 354 16 ARG CB C 29.057 0.03 1 154 354 16 ARG CG C 26.841 0.02 1 155 354 16 ARG CD C 42.811 0.05 1 156 354 16 ARG N N 121.754 0.01 1 157 355 17 ILE H H 8.405 0.00 1 158 355 17 ILE HA H 3.608 0.00 1 159 355 17 ILE HB H 1.804 0.00 1 160 355 17 ILE HG12 H 1.050 0.00 2 161 355 17 ILE HG13 H 1.885 0.00 2 162 355 17 ILE HG2 H 0.963 0.00 1 163 355 17 ILE HD1 H 0.740 0.00 1 164 355 17 ILE C C 177.589 0.00 1 165 355 17 ILE CA C 65.750 0.01 1 166 355 17 ILE CB C 38.745 0.00 1 167 355 17 ILE CG1 C 30.303 0.04 1 168 355 17 ILE CG2 C 18.381 0.00 1 169 355 17 ILE CD1 C 15.333 0.00 1 170 355 17 ILE N N 120.701 0.02 1 171 356 18 HIS H H 8.380 0.00 1 172 356 18 HIS HA H 4.269 0.00 1 173 356 18 HIS HB2 H 3.206 0.01 2 174 356 18 HIS HB3 H 3.410 0.01 2 175 356 18 HIS HD2 H 6.764 0.00 1 176 356 18 HIS HE1 H 7.455 0.00 1 177 356 18 HIS C C 176.464 0.00 1 178 356 18 HIS CA C 58.211 0.00 1 179 356 18 HIS CB C 29.743 0.06 1 180 356 18 HIS CE1 C 137.831 0.00 1 181 356 18 HIS N N 118.053 0.03 1 182 357 19 ALA H H 7.890 0.00 1 183 357 19 ALA HA H 3.757 0.00 1 184 357 19 ALA HB H 1.469 0.00 1 185 357 19 ALA C C 180.005 0.01 1 186 357 19 ALA CA C 55.339 0.02 1 187 357 19 ALA CB C 17.812 0.03 1 188 357 19 ALA N N 119.325 0.02 1 189 358 20 GLU H H 8.473 0.00 1 190 358 20 GLU HA H 3.970 0.00 1 191 358 20 GLU HB2 H 2.390 0.01 2 192 358 20 GLU HB3 H 1.984 0.00 2 193 358 20 GLU HG2 H 2.381 0.00 2 194 358 20 GLU HG3 H 2.342 0.00 2 195 358 20 GLU C C 179.890 0.03 1 196 358 20 GLU CA C 59.183 0.01 1 197 358 20 GLU CB C 30.823 0.03 1 198 358 20 GLU CG C 36.538 0.00 1 199 358 20 GLU N N 118.775 0.03 1 200 359 21 ILE H H 8.332 0.00 1 201 359 21 ILE HA H 3.552 0.00 1 202 359 21 ILE HB H 2.026 0.00 1 203 359 21 ILE HG12 H 0.926 0.01 2 204 359 21 ILE HG13 H 2.086 0.00 2 205 359 21 ILE HG2 H 0.813 0.00 1 206 359 21 ILE HD1 H 0.766 0.00 1 207 359 21 ILE C C 177.186 0.00 1 208 359 21 ILE CA C 66.456 0.02 1 209 359 21 ILE CB C 38.644 0.00 1 210 359 21 ILE CG1 C 29.141 0.00 1 211 359 21 ILE CG2 C 17.701 0.01 1 212 359 21 ILE CD1 C 14.430 0.00 1 213 359 21 ILE N N 121.186 0.00 1 214 360 22 LYS H H 7.675 0.00 1 215 360 22 LYS HA H 3.595 0.00 1 216 360 22 LYS HB2 H 1.349 0.00 2 217 360 22 LYS HB3 H 0.972 0.00 2 218 360 22 LYS HG2 H 0.999 0.00 2 219 360 22 LYS HG3 H 0.214 0.00 2 220 360 22 LYS HD2 H 1.005 0.00 2 221 360 22 LYS HD3 H 0.907 0.00 2 222 360 22 LYS HE2 H 2.258 0.00 2 223 360 22 LYS HE3 H 1.850 0.00 2 224 360 22 LYS C C 178.117 0.01 1 225 360 22 LYS CA C 60.083 0.02 1 226 360 22 LYS CB C 31.831 0.00 1 227 360 22 LYS CG C 25.276 0.01 1 228 360 22 LYS CD C 29.065 0.01 1 229 360 22 LYS CE C 41.039 0.00 1 230 360 22 LYS N N 115.364 0.01 1 231 361 23 ASN H H 8.457 0.00 1 232 361 23 ASN HA H 4.314 0.00 1 233 361 23 ASN HB2 H 2.777 0.00 2 234 361 23 ASN HB3 H 2.606 0.00 2 235 361 23 ASN HD21 H 7.051 0.00 2 236 361 23 ASN HD22 H 7.477 0.00 2 237 361 23 ASN C C 178.606 0.00 1 238 361 23 ASN CA C 56.009 0.04 1 239 361 23 ASN CB C 38.907 0.04 1 240 361 23 ASN N N 113.097 0.03 1 241 362 24 SER H H 8.079 0.00 1 242 362 24 SER HA H 4.317 0.00 1 243 362 24 SER HB2 H 3.995 0.00 2 244 362 24 SER HB3 H 3.995 0.00 2 245 362 24 SER C C 173.489 0.00 1 246 362 24 SER CA C 61.983 0.02 1 247 362 24 SER CB C 62.926 0.04 1 248 362 24 SER N N 114.762 0.02 1 249 363 25 LEU H H 7.150 0.00 1 250 363 25 LEU HA H 4.740 0.00 1 251 363 25 LEU HB2 H 1.938 0.00 2 252 363 25 LEU HB3 H 1.496 0.00 2 253 363 25 LEU HG H 1.860 0.00 1 254 363 25 LEU HD1 H 0.591 0.00 2 255 363 25 LEU HD2 H 0.357 0.00 2 256 363 25 LEU C C 175.319 0.00 1 257 363 25 LEU CA C 52.627 0.01 1 258 363 25 LEU CB C 40.648 0.07 1 259 363 25 LEU CG C 25.797 0.00 1 260 363 25 LEU CD1 C 26.742 0.02 2 261 363 25 LEU CD2 C 21.739 0.01 2 262 363 25 LEU N N 119.892 0.03 1 263 364 26 LYS H H 6.820 0.00 1 264 364 26 LYS HA H 4.536 0.00 1 265 364 26 LYS HB2 H 1.833 0.00 2 266 364 26 LYS HB3 H 1.833 0.00 2 267 364 26 LYS HG2 H 1.653 0.00 2 268 364 26 LYS HG3 H 1.556 0.00 2 269 364 26 LYS HD2 H 1.768 0.00 2 270 364 26 LYS HD3 H 1.768 0.00 2 271 364 26 LYS HE2 H 3.037 0.00 2 272 364 26 LYS HE3 H 3.037 0.00 2 273 364 26 LYS C C 177.630 0.00 1 274 364 26 LYS CA C 56.792 0.05 1 275 364 26 LYS CB C 33.405 0.01 1 276 364 26 LYS CG C 25.217 0.00 1 277 364 26 LYS CD C 29.776 0.00 1 278 364 26 LYS CE C 42.059 0.00 1 279 364 26 LYS N N 121.921 0.02 1 280 365 27 ILE H H 8.487 0.00 1 281 365 27 ILE HA H 3.721 0.00 1 282 365 27 ILE HB H 1.507 0.00 1 283 365 27 ILE HG12 H 1.359 0.00 2 284 365 27 ILE HG13 H 1.014 0.00 2 285 365 27 ILE HG2 H 0.875 0.00 1 286 365 27 ILE HD1 H 0.673 0.00 1 287 365 27 ILE CA C 64.337 0.00 1 288 365 27 ILE CB C 38.907 0.00 1 289 365 27 ILE CG1 C 28.762 0.01 1 290 365 27 ILE CG2 C 16.982 0.01 1 291 365 27 ILE CD1 C 13.764 0.00 1 292 365 27 ILE N N 124.930 0.02 1 293 366 28 ASP HA H 4.508 0.00 1 294 366 28 ASP HB2 H 2.912 0.00 2 295 366 28 ASP HB3 H 2.764 0.00 2 296 366 28 ASP CB C 40.138 0.03 1 297 367 29 ASN HA H 4.857 0.00 1 298 367 29 ASN HB2 H 2.779 0.00 2 299 367 29 ASN HB3 H 2.453 0.00 2 300 367 29 ASN HD21 H 7.388 0.00 2 301 367 29 ASN HD22 H 6.979 0.00 2 302 367 29 ASN CB C 39.595 0.03 1 303 367 29 ASN ND2 N 112.180 0.00 1 304 368 30 LEU H H 8.293 0.00 1 305 368 30 LEU HA H 4.329 0.00 1 306 368 30 LEU HB2 H 2.015 0.00 2 307 368 30 LEU HB3 H 1.373 0.00 2 308 368 30 LEU HG H 1.907 0.00 1 309 368 30 LEU HD1 H 1.140 0.00 2 310 368 30 LEU HD2 H 0.950 0.00 2 311 368 30 LEU C C 177.897 0.00 1 312 368 30 LEU CA C 56.258 0.07 1 313 368 30 LEU CB C 43.078 0.02 1 314 368 30 LEU CG C 26.713 0.00 1 315 368 30 LEU CD1 C 25.984 0.00 2 316 368 30 LEU CD2 C 24.082 0.00 2 317 369 31 ASP H H 9.553 0.00 1 318 369 31 ASP HA H 4.879 0.00 1 319 369 31 ASP HB2 H 3.075 0.00 2 320 369 31 ASP HB3 H 2.492 0.00 2 321 369 31 ASP C C 175.610 0.01 1 322 369 31 ASP CA C 52.202 0.00 1 323 369 31 ASP CB C 40.979 0.10 1 324 369 31 ASP N N 125.970 0.03 1 325 370 32 VAL H H 8.432 0.00 1 326 370 32 VAL HA H 3.573 0.00 1 327 370 32 VAL HB H 2.192 0.00 1 328 370 32 VAL HG1 H 1.159 0.00 2 329 370 32 VAL HG2 H 1.198 0.00 2 330 370 32 VAL C C 177.924 0.00 1 331 370 32 VAL CA C 66.666 0.03 1 332 370 32 VAL CB C 32.082 0.06 1 333 370 32 VAL CG1 C 21.584 0.00 2 334 370 32 VAL CG2 C 21.539 0.00 2 335 370 32 VAL N N 122.051 0.02 1 336 371 33 ASN H H 8.652 0.00 1 337 371 33 ASN HA H 4.471 0.00 1 338 371 33 ASN HB2 H 2.918 0.00 2 339 371 33 ASN HB3 H 2.839 0.00 2 340 371 33 ASN HD21 H 7.786 0.00 2 341 371 33 ASN HD22 H 6.956 0.01 2 342 371 33 ASN C C 177.633 0.00 1 343 371 33 ASN CA C 56.760 0.01 1 344 371 33 ASN CB C 37.714 0.01 1 345 371 33 ASN N N 117.769 0.02 1 346 371 33 ASN ND2 N 113.168 0.02 1 347 372 34 ARG H H 7.604 0.00 1 348 372 34 ARG HA H 4.117 0.00 1 349 372 34 ARG HB2 H 1.831 0.00 2 350 372 34 ARG HB3 H 1.831 0.00 2 351 372 34 ARG HG2 H 1.496 0.00 2 352 372 34 ARG HG3 H 1.786 0.00 2 353 372 34 ARG HD2 H 2.981 0.00 2 354 372 34 ARG HD3 H 3.232 0.00 2 355 372 34 ARG HE H 8.022 0.00 1 356 372 34 ARG C C 178.518 0.00 1 357 372 34 ARG CA C 58.781 0.03 1 358 372 34 ARG CB C 30.997 0.01 1 359 372 34 ARG CG C 27.171 0.01 1 360 372 34 ARG CD C 44.525 0.00 1 361 372 34 ARG N N 121.799 0.02 1 362 372 34 ARG NE N 85.627 0.00 1 363 373 35 CYS H H 7.789 0.00 1 364 373 35 CYS HA H 3.910 0.00 1 365 373 35 CYS HB2 H 3.215 0.00 2 366 373 35 CYS HB3 H 3.126 0.00 2 367 373 35 CYS HG H 4.111 0.00 1 368 373 35 CYS C C 176.876 0.00 1 369 373 35 CYS CA C 63.461 0.02 1 370 373 35 CYS CB C 27.290 0.26 1 371 373 35 CYS N N 120.539 0.01 1 372 374 36 ILE H H 8.481 0.00 1 373 374 36 ILE HA H 3.375 0.00 1 374 374 36 ILE HB H 1.963 0.00 1 375 374 36 ILE HG12 H 0.663 0.00 2 376 374 36 ILE HG13 H 1.966 0.00 2 377 374 36 ILE HG2 H 0.883 0.00 1 378 374 36 ILE HD1 H 0.926 0.00 1 379 374 36 ILE C C 176.989 0.02 1 380 374 36 ILE CA C 66.999 0.04 1 381 374 36 ILE CB C 38.050 0.05 1 382 374 36 ILE CG1 C 31.558 0.02 1 383 374 36 ILE CG2 C 17.723 0.00 1 384 374 36 ILE CD1 C 14.325 0.00 1 385 374 36 ILE N N 119.311 0.01 1 386 375 37 GLU H H 7.958 0.00 1 387 375 37 GLU HA H 4.103 0.00 1 388 375 37 GLU HB2 H 2.145 0.00 2 389 375 37 GLU HB3 H 2.066 0.00 2 390 375 37 GLU HG2 H 2.520 0.00 2 391 375 37 GLU HG3 H 2.319 0.00 2 392 375 37 GLU C C 179.791 0.00 1 393 375 37 GLU CA C 59.938 0.04 1 394 375 37 GLU CB C 29.404 0.03 1 395 375 37 GLU CG C 36.592 0.00 1 396 375 37 GLU N N 117.750 0.02 1 397 376 38 ALA H H 7.553 0.00 1 398 376 38 ALA HA H 4.410 0.00 1 399 376 38 ALA HB H 1.609 0.00 1 400 376 38 ALA C C 179.518 0.01 1 401 376 38 ALA CA C 55.360 0.01 1 402 376 38 ALA CB C 18.644 0.01 1 403 376 38 ALA N N 122.978 0.01 1 404 377 39 LEU H H 8.538 0.01 1 405 377 39 LEU HA H 3.933 0.00 1 406 377 39 LEU HB2 H 2.069 0.00 2 407 377 39 LEU HB3 H 1.248 0.00 2 408 377 39 LEU HG H 2.078 0.00 1 409 377 39 LEU HD1 H 0.917 0.00 2 410 377 39 LEU HD2 H 0.701 0.00 2 411 377 39 LEU C C 179.957 0.02 1 412 377 39 LEU CA C 57.962 0.04 1 413 377 39 LEU CB C 41.286 0.02 1 414 377 39 LEU CG C 26.557 0.00 1 415 377 39 LEU CD1 C 28.205 0.00 2 416 377 39 LEU CD2 C 23.288 0.00 2 417 377 39 LEU N N 118.383 0.02 1 418 378 40 ASP H H 8.998 0.00 1 419 378 40 ASP HA H 4.474 0.00 1 420 378 40 ASP HB2 H 2.775 0.00 2 421 378 40 ASP HB3 H 2.570 0.00 2 422 378 40 ASP C C 179.558 0.01 1 423 378 40 ASP CA C 57.312 0.04 1 424 378 40 ASP CB C 39.249 0.04 1 425 378 40 ASP N N 121.599 0.02 1 426 379 41 GLU H H 8.163 0.00 1 427 379 41 GLU HA H 4.021 0.01 1 428 379 41 GLU HB2 H 2.176 0.00 2 429 379 41 GLU HB3 H 2.176 0.00 2 430 379 41 GLU HG2 H 2.072 0.00 2 431 379 41 GLU HG3 H 2.342 0.00 2 432 379 41 GLU C C 180.508 0.01 1 433 379 41 GLU CA C 59.760 0.03 1 434 379 41 GLU CB C 28.660 0.00 1 435 379 41 GLU CG C 36.209 0.03 1 436 379 41 GLU N N 123.616 0.01 1 437 380 42 LEU H H 8.552 0.00 1 438 380 42 LEU HA H 4.010 0.00 1 439 380 42 LEU HB2 H 1.732 0.00 2 440 380 42 LEU HB3 H 2.267 0.00 2 441 380 42 LEU HG H 1.774 0.00 1 442 380 42 LEU HD1 H 1.092 0.00 2 443 380 42 LEU HD2 H 1.056 0.00 2 444 380 42 LEU C C 178.846 0.00 1 445 380 42 LEU CA C 58.037 0.06 1 446 380 42 LEU CB C 41.043 0.07 1 447 380 42 LEU CG C 27.332 0.00 1 448 380 42 LEU CD1 C 26.696 0.00 2 449 380 42 LEU CD2 C 23.462 0.00 2 450 380 42 LEU N N 121.474 0.02 1 451 381 43 ALA H H 8.407 0.00 1 452 381 43 ALA HA H 4.031 0.00 1 453 381 43 ALA HB H 1.595 0.00 1 454 381 43 ALA C C 177.848 0.00 1 455 381 43 ALA CA C 54.338 0.02 1 456 381 43 ALA CB C 18.777 0.03 1 457 381 43 ALA N N 119.091 0.01 1 458 382 44 SER H H 7.575 0.00 1 459 382 44 SER HA H 4.429 0.00 1 460 382 44 SER HB2 H 4.082 0.01 2 461 382 44 SER HB3 H 3.992 0.00 2 462 382 44 SER C C 174.190 0.01 1 463 382 44 SER CA C 59.425 0.06 1 464 382 44 SER CB C 64.446 0.04 1 465 382 44 SER N N 112.201 0.02 1 466 383 45 LEU H H 7.325 0.00 1 467 383 45 LEU HA H 4.405 0.00 1 468 383 45 LEU HB2 H 1.868 0.00 2 469 383 45 LEU HB3 H 1.285 0.00 2 470 383 45 LEU HG H 2.050 0.00 1 471 383 45 LEU HD1 H 0.774 0.00 2 472 383 45 LEU HD2 H 0.767 0.00 2 473 383 45 LEU C C 177.012 0.01 1 474 383 45 LEU CA C 54.490 0.05 1 475 383 45 LEU CB C 43.239 0.02 1 476 383 45 LEU CG C 25.731 0.00 1 477 383 45 LEU CD1 C 25.955 0.00 2 478 383 45 LEU CD2 C 22.396 0.00 2 479 383 45 LEU N N 122.314 0.01 1 480 384 46 GLN H H 8.673 0.00 1 481 384 46 GLN HA H 4.454 0.00 1 482 384 46 GLN HB2 H 2.055 0.00 2 483 384 46 GLN HB3 H 1.995 0.00 2 484 384 46 GLN HG2 H 2.336 0.00 2 485 384 46 GLN HG3 H 2.299 0.00 2 486 384 46 GLN HE21 H 7.450 0.00 2 487 384 46 GLN HE22 H 6.808 0.00 2 488 384 46 GLN C C 174.417 0.02 1 489 384 46 GLN CA C 54.942 0.03 1 490 384 46 GLN CB C 27.469 0.03 1 491 384 46 GLN CG C 33.667 0.00 1 492 384 46 GLN N N 123.879 0.04 1 493 384 46 GLN NE2 N 112.621 0.01 1 494 385 47 VAL H H 7.840 0.00 1 495 385 47 VAL HA H 4.460 0.00 1 496 385 47 VAL HB H 1.995 0.00 1 497 385 47 VAL HG1 H 1.049 0.00 2 498 385 47 VAL HG2 H 0.964 0.00 2 499 385 47 VAL C C 176.149 0.01 1 500 385 47 VAL CA C 61.530 0.01 1 501 385 47 VAL CB C 33.835 0.05 1 502 385 47 VAL CG1 C 22.072 0.00 2 503 385 47 VAL CG2 C 22.138 0.02 2 504 385 47 VAL N N 123.702 0.03 1 505 386 48 THR H H 8.551 0.00 1 506 386 48 THR HA H 4.558 0.00 1 507 386 48 THR HB H 4.745 0.00 1 508 386 48 THR HG1 H 5.565 0.00 1 509 386 48 THR HG2 H 1.308 0.00 1 510 386 48 THR C C 175.703 0.01 1 511 386 48 THR CA C 60.342 0.01 1 512 386 48 THR CB C 71.725 0.01 1 513 386 48 THR CG2 C 21.727 0.02 1 514 386 48 THR N N 116.747 0.03 1 515 387 49 MET H H 9.050 0.00 1 516 387 49 MET HA H 3.916 0.00 1 517 387 49 MET HB2 H 1.901 0.00 2 518 387 49 MET HB3 H 1.901 0.00 2 519 387 49 MET HG2 H 2.061 0.00 2 520 387 49 MET HG3 H 1.992 0.00 2 521 387 49 MET HE H 1.875 0.00 1 522 387 49 MET C C 177.571 0.01 1 523 387 49 MET CA C 59.535 0.03 1 524 387 49 MET CB C 32.516 0.03 1 525 387 49 MET CG C 31.670 0.02 1 526 387 49 MET CE C 16.820 0.01 1 527 387 49 MET N N 121.602 0.02 1 528 388 50 GLN H H 8.349 0.00 1 529 388 50 GLN HA H 4.035 0.01 1 530 388 50 GLN HB2 H 2.100 0.00 2 531 388 50 GLN HB3 H 2.000 0.00 2 532 388 50 GLN HG2 H 2.519 0.00 2 533 388 50 GLN HG3 H 2.456 0.00 2 534 388 50 GLN HE21 H 7.647 0.00 2 535 388 50 GLN HE22 H 6.945 0.00 2 536 388 50 GLN C C 179.217 0.01 1 537 388 50 GLN CA C 59.611 0.01 1 538 388 50 GLN CB C 28.049 0.00 1 539 388 50 GLN CG C 34.644 0.03 1 540 388 50 GLN N N 116.581 0.03 1 541 388 50 GLN NE2 N 112.529 0.00 1 542 389 51 GLN H H 7.565 0.00 1 543 389 51 GLN HA H 4.175 0.00 1 544 389 51 GLN HB2 H 2.464 0.00 2 545 389 51 GLN HB3 H 1.739 0.01 2 546 389 51 GLN HG3 H 2.409 0.00 2 547 389 51 GLN HE21 H 7.574 0.00 2 548 389 51 GLN HE22 H 6.697 0.00 2 549 389 51 GLN C C 178.889 0.02 1 550 389 51 GLN CA C 58.419 0.00 1 551 389 51 GLN CB C 28.691 0.04 1 552 389 51 GLN CG C 33.972 0.08 1 553 389 51 GLN N N 117.869 0.02 1 554 389 51 GLN NE2 N 109.523 0.00 1 555 390 52 ALA H H 8.723 0.00 1 556 390 52 ALA HA H 3.804 0.00 1 557 390 52 ALA HB H 1.556 0.00 1 558 390 52 ALA C C 178.844 0.01 1 559 390 52 ALA CA C 55.517 0.02 1 560 390 52 ALA CB C 18.630 0.04 1 561 390 52 ALA N N 121.676 0.02 1 562 391 53 GLN H H 8.134 0.01 1 563 391 53 GLN HA H 3.936 0.00 1 564 391 53 GLN HB2 H 2.315 0.01 2 565 391 53 GLN HB3 H 2.173 0.00 2 566 391 53 GLN HG2 H 2.575 0.00 2 567 391 53 GLN HG3 H 2.456 0.00 2 568 391 53 GLN HE21 H 7.310 0.00 2 569 391 53 GLN HE22 H 6.847 0.00 2 570 391 53 GLN C C 176.870 0.01 1 571 391 53 GLN CA C 58.745 0.02 1 572 391 53 GLN CB C 28.855 0.05 1 573 391 53 GLN CG C 34.658 0.04 1 574 391 53 GLN N N 113.547 0.03 1 575 391 53 GLN NE2 N 110.537 0.00 1 576 392 54 LYS H H 7.360 0.01 1 577 392 54 LYS HA H 4.268 0.01 1 578 392 54 LYS HB2 H 1.782 0.00 2 579 392 54 LYS HB3 H 1.782 0.00 2 580 392 54 LYS HG2 H 1.523 0.01 2 581 392 54 LYS HG3 H 1.368 0.00 2 582 392 54 LYS HE2 H 2.972 0.00 2 583 392 54 LYS HE3 H 2.972 0.00 2 584 392 54 LYS C C 176.469 0.01 1 585 392 54 LYS CA C 56.853 0.02 1 586 392 54 LYS CB C 32.878 0.03 1 587 392 54 LYS CG C 25.256 0.06 1 588 392 54 LYS N N 116.301 0.02 1 589 393 55 HIS H H 7.835 0.00 1 590 393 55 HIS HA H 4.996 0.00 1 591 393 55 HIS HB2 H 3.371 0.00 2 592 393 55 HIS HB3 H 2.520 0.00 2 593 393 55 HIS HD2 H 7.479 0.01 1 594 393 55 HIS C C 176.005 0.00 1 595 393 55 HIS CA C 55.509 0.03 1 596 393 55 HIS CB C 29.748 0.13 1 597 393 55 HIS CD2 C 120.303 0.00 1 598 393 55 HIS N N 119.848 0.07 1 599 394 56 THR H H 7.677 0.01 1 600 394 56 THR HA H 3.677 0.00 1 601 394 56 THR HB H 4.061 0.00 1 602 394 56 THR HG2 H 1.231 0.00 1 603 394 56 THR C C 177.367 0.00 1 604 394 56 THR CA C 65.866 0.04 1 605 394 56 THR CB C 68.207 0.03 1 606 394 56 THR CG2 C 22.479 0.01 1 607 394 56 THR N N 111.663 0.02 1 608 395 57 GLU H H 9.004 0.01 1 609 395 57 GLU HA H 4.080 0.01 1 610 395 57 GLU HB2 H 2.076 0.00 2 611 395 57 GLU HB3 H 2.076 0.00 2 612 395 57 GLU HG2 H 2.402 0.01 2 613 395 57 GLU HG3 H 2.296 0.01 2 614 395 57 GLU C C 178.513 0.00 1 615 395 57 GLU CA C 59.724 0.02 1 616 395 57 GLU CB C 28.095 0.03 1 617 395 57 GLU CG C 36.404 0.04 1 618 395 57 GLU N N 122.497 0.02 1 619 396 58 MET H H 7.695 0.01 1 620 396 58 MET HA H 3.046 0.00 1 621 396 58 MET HB2 H 1.559 0.00 2 622 396 58 MET HB3 H 2.135 0.00 2 623 396 58 MET HG2 H 2.057 0.00 2 624 396 58 MET HG3 H 2.057 0.00 2 625 396 58 MET HE H 1.792 0.00 1 626 396 58 MET C C 177.304 0.01 1 627 396 58 MET CA C 57.928 0.03 1 628 396 58 MET CB C 32.552 0.05 1 629 396 58 MET CG C 31.422 0.00 1 630 396 58 MET CE C 17.227 0.00 1 631 396 58 MET N N 120.331 0.01 1 632 397 59 ILE H H 7.255 0.01 1 633 397 59 ILE HA H 3.432 0.00 1 634 397 59 ILE HB H 1.872 0.00 1 635 397 59 ILE HG12 H 1.498 0.00 2 636 397 59 ILE HG13 H 0.454 0.00 2 637 397 59 ILE HG2 H 0.836 0.00 1 638 397 59 ILE HD1 H 0.580 0.00 1 639 397 59 ILE C C 177.589 0.00 1 640 397 59 ILE CA C 65.841 0.03 1 641 397 59 ILE CB C 36.953 0.00 1 642 397 59 ILE CG1 C 28.660 0.02 1 643 397 59 ILE CG2 C 18.864 0.00 1 644 397 59 ILE CD1 C 13.321 0.00 1 645 397 59 ILE N N 119.475 0.02 1 646 398 60 THR H H 7.947 0.00 1 647 398 60 THR HA H 3.842 0.00 1 648 398 60 THR HB H 4.325 0.00 1 649 398 60 THR HG2 H 1.240 0.00 1 650 398 60 THR C C 176.640 0.00 1 651 398 60 THR CA C 66.894 0.01 1 652 398 60 THR CB C 68.297 0.02 1 653 398 60 THR CG2 C 22.382 0.00 1 654 398 60 THR N N 116.706 0.04 1 655 399 61 THR H H 8.064 0.01 1 656 399 61 THR HA H 3.845 0.00 1 657 399 61 THR HB H 4.458 0.00 1 658 399 61 THR HG1 H 3.000 0.00 1 659 399 61 THR HG2 H 1.242 0.00 1 660 399 61 THR CA C 67.650 0.01 1 661 399 61 THR CB C 67.015 0.00 1 662 399 61 THR CG2 C 24.109 0.00 1 663 399 61 THR N N 121.974 0.04 1 664 400 62 LEU H H 8.047 0.00 1 665 400 62 LEU HA H 3.902 0.00 1 666 400 62 LEU HB2 H 2.323 0.00 2 667 400 62 LEU HB3 H 1.463 0.00 2 668 400 62 LEU HG H 2.000 0.00 1 669 400 62 LEU HD1 H 0.955 0.00 2 670 400 62 LEU HD2 H 0.832 0.00 2 671 400 62 LEU C C 177.103 0.00 1 672 400 62 LEU CA C 57.980 0.00 1 673 400 62 LEU CB C 42.208 0.03 1 674 400 62 LEU CG C 26.470 0.00 1 675 400 62 LEU CD1 C 26.647 0.00 2 676 400 62 LEU CD2 C 23.097 0.00 2 677 400 62 LEU N N 120.162 0.01 1 678 401 63 LYS H H 8.137 0.00 1 679 401 63 LYS HA H 2.920 0.00 1 680 401 63 LYS HB2 H 2.089 0.01 2 681 401 63 LYS HB3 H 1.712 0.00 2 682 401 63 LYS HG2 H 1.103 0.01 2 683 401 63 LYS HG3 H 0.548 0.00 2 684 401 63 LYS C C 179.918 0.00 1 685 401 63 LYS CA C 59.185 0.03 1 686 401 63 LYS CB C 33.734 0.07 1 687 401 63 LYS CG C 25.554 0.10 1 688 401 63 LYS N N 116.316 0.02 1 689 402 64 LYS H H 7.647 0.01 1 690 402 64 LYS HA H 3.861 0.00 1 691 402 64 LYS HB2 H 1.636 0.00 2 692 402 64 LYS HB3 H 1.078 0.00 2 693 402 64 LYS HG2 H 1.367 0.00 2 694 402 64 LYS HG3 H 1.101 0.00 2 695 402 64 LYS HD2 H 1.561 0.00 2 696 402 64 LYS HD3 H 1.522 0.00 2 697 402 64 LYS HE2 H 2.924 0.00 2 698 402 64 LYS HE3 H 2.874 0.00 2 699 402 64 LYS C C 179.011 0.00 1 700 402 64 LYS CA C 59.094 0.01 1 701 402 64 LYS CB C 32.731 0.03 1 702 402 64 LYS CG C 24.901 0.01 1 703 402 64 LYS CD C 29.789 0.01 1 704 402 64 LYS CE C 42.043 0.00 1 705 402 64 LYS N N 117.855 0.03 1 706 403 65 ILE H H 7.571 0.01 1 707 403 65 ILE HA H 3.706 0.00 1 708 403 65 ILE HB H 1.912 0.00 1 709 403 65 ILE HG12 H 1.570 0.00 2 710 403 65 ILE HG13 H 1.498 0.00 2 711 403 65 ILE HG2 H 0.656 0.00 1 712 403 65 ILE HD1 H 0.686 0.01 1 713 403 65 ILE C C 175.769 0.00 1 714 403 65 ILE CA C 64.268 0.07 1 715 403 65 ILE CB C 36.869 0.04 1 716 403 65 ILE CG1 C 25.564 0.01 1 717 403 65 ILE CG2 C 17.620 0.01 1 718 403 65 ILE CD1 C 14.876 0.00 1 719 403 65 ILE N N 111.425 0.01 1 720 404 66 ARG H H 7.059 0.00 1 721 404 66 ARG HA H 4.229 0.01 1 722 404 66 ARG HB2 H 1.737 0.00 2 723 404 66 ARG HB3 H 1.698 0.00 2 724 404 66 ARG HG2 H 2.171 0.00 2 725 404 66 ARG HG3 H 1.372 0.00 2 726 404 66 ARG HD2 H 3.039 0.00 2 727 404 66 ARG HD3 H 2.924 0.00 2 728 404 66 ARG C C 176.977 0.00 1 729 404 66 ARG CA C 58.963 0.03 1 730 404 66 ARG CB C 31.096 0.04 1 731 404 66 ARG CG C 25.235 0.00 1 732 404 66 ARG N N 119.526 0.03 1 733 405 67 ARG H H 7.267 0.00 1 734 405 67 ARG HA H 4.561 0.00 1 735 405 67 ARG HB2 H 2.463 0.00 2 736 405 67 ARG HB3 H 1.849 0.01 2 737 405 67 ARG HG2 H 1.674 0.00 2 738 405 67 ARG HG3 H 1.528 0.00 2 739 405 67 ARG HD2 H 3.218 0.00 2 740 405 67 ARG HD3 H 3.218 0.00 2 741 405 67 ARG C C 176.834 0.00 1 742 405 67 ARG CA C 54.179 0.02 1 743 405 67 ARG CB C 29.136 0.04 1 744 405 67 ARG CG C 27.721 0.00 1 745 405 67 ARG N N 111.839 0.02 1 746 406 68 PHE H H 7.817 0.00 1 747 406 68 PHE HA H 5.454 0.00 1 748 406 68 PHE HB2 H 3.576 0.00 2 749 406 68 PHE HB3 H 3.025 0.00 2 750 406 68 PHE HD1 H 7.391 0.00 3 751 406 68 PHE HD2 H 7.391 0.00 3 752 406 68 PHE HE1 H 7.076 0.00 3 753 406 68 PHE HE2 H 7.076 0.00 3 754 406 68 PHE HZ H 7.162 0.00 1 755 406 68 PHE C C 172.752 0.00 1 756 406 68 PHE CA C 56.481 0.03 1 757 406 68 PHE CB C 38.556 0.06 1 758 406 68 PHE CD1 C 132.257 0.00 3 759 406 68 PHE CE1 C 130.802 0.01 3 760 406 68 PHE CZ C 130.476 0.00 1 761 406 68 PHE N N 124.171 0.02 1 762 407 69 LYS H H 7.597 0.00 1 763 407 69 LYS HA H 4.265 0.00 1 764 407 69 LYS HB2 H 1.785 0.00 2 765 407 69 LYS HB3 H 1.718 0.06 2 766 407 69 LYS HG2 H 1.537 0.00 2 767 407 69 LYS HG3 H 1.425 0.00 2 768 407 69 LYS HD2 H 1.641 0.00 2 769 407 69 LYS HD3 H 1.641 0.00 2 770 407 69 LYS HE2 H 2.983 0.00 2 771 407 69 LYS HE3 H 2.983 0.00 2 772 407 69 LYS C C 176.756 0.01 1 773 407 69 LYS CA C 58.334 0.01 1 774 407 69 LYS CB C 32.614 0.10 1 775 407 69 LYS CG C 25.358 0.10 1 776 407 69 LYS CD C 29.196 0.00 1 777 407 69 LYS N N 125.396 0.03 1 778 408 70 VAL H H 6.608 0.00 1 779 408 70 VAL HA H 3.583 0.00 1 780 408 70 VAL HB H 0.861 0.01 1 781 408 70 VAL HG1 H 0.577 0.00 2 782 408 70 VAL HG2 H 0.625 0.00 2 783 408 70 VAL C C 175.784 0.00 1 784 408 70 VAL CA C 63.838 0.02 1 785 408 70 VAL CB C 31.856 0.01 1 786 408 70 VAL CG1 C 22.034 0.03 2 787 408 70 VAL CG2 C 20.924 0.03 2 788 408 70 VAL N N 115.044 0.02 1 789 409 71 SER H H 7.404 0.00 1 790 409 71 SER HA H 4.928 0.00 1 791 409 71 SER HB2 H 3.968 0.00 2 792 409 71 SER HB3 H 3.803 0.00 2 793 409 71 SER HG H 6.328 0.00 1 794 409 71 SER C C 173.423 0.01 1 795 409 71 SER CA C 55.744 0.00 1 796 409 71 SER CB C 64.306 0.00 1 797 409 71 SER N N 111.680 0.02 1 798 410 72 GLN H H 9.013 0.00 1 799 410 72 GLN HA H 4.107 0.00 1 800 410 72 GLN HB2 H 2.201 0.00 2 801 410 72 GLN HB3 H 2.099 0.00 2 802 410 72 GLN HG2 H 2.471 0.00 2 803 410 72 GLN HG3 H 2.471 0.00 2 804 410 72 GLN HE21 H 7.774 0.00 2 805 410 72 GLN HE22 H 6.837 0.00 2 806 410 72 GLN C C 177.879 0.00 1 807 410 72 GLN CA C 59.164 0.01 1 808 410 72 GLN CB C 28.204 0.03 1 809 410 72 GLN CG C 33.516 0.06 1 810 410 72 GLN N N 131.282 0.01 1 811 410 72 GLN NE2 N 112.460 0.00 1 812 411 73 VAL H H 7.798 0.00 1 813 411 73 VAL HA H 3.933 0.00 1 814 411 73 VAL HB H 1.852 0.00 1 815 411 73 VAL HG1 H 1.108 0.00 2 816 411 73 VAL HG2 H 1.007 0.00 2 817 411 73 VAL C C 178.291 0.01 1 818 411 73 VAL CA C 66.170 0.01 1 819 411 73 VAL CB C 32.103 0.05 1 820 411 73 VAL CG1 C 22.242 0.01 2 821 411 73 VAL CG2 C 21.657 0.00 2 822 411 73 VAL N N 117.779 0.02 1 823 412 74 ILE H H 7.859 0.00 1 824 412 74 ILE HA H 3.558 0.00 1 825 412 74 ILE HB H 2.221 0.00 1 826 412 74 ILE HG12 H 1.002 0.01 2 827 412 74 ILE HG13 H 1.933 0.00 2 828 412 74 ILE HG2 H 1.054 0.00 1 829 412 74 ILE HD1 H 1.329 0.00 1 830 412 74 ILE C C 179.537 0.00 1 831 412 74 ILE CA C 66.322 0.02 1 832 412 74 ILE CB C 37.742 0.02 1 833 412 74 ILE CG1 C 31.242 0.01 1 834 412 74 ILE CG2 C 17.132 0.00 1 835 412 74 ILE CD1 C 14.734 0.00 1 836 412 74 ILE N N 120.649 0.02 1 837 413 75 MET H H 8.447 0.00 1 838 413 75 MET HA H 4.083 0.01 1 839 413 75 MET HB2 H 2.443 0.00 2 840 413 75 MET HB3 H 2.231 0.00 2 841 413 75 MET HG2 H 2.967 0.00 2 842 413 75 MET HG3 H 2.226 0.01 2 843 413 75 MET HE H 2.086 0.00 1 844 413 75 MET C C 179.031 0.01 1 845 413 75 MET CA C 61.364 0.02 1 846 413 75 MET CB C 33.935 0.06 1 847 413 75 MET CG C 31.831 0.03 1 848 413 75 MET CE C 16.507 0.02 1 849 413 75 MET N N 121.536 0.01 1 850 414 76 GLU H H 8.695 0.00 1 851 414 76 GLU HA H 4.118 0.00 1 852 414 76 GLU HB2 H 2.324 0.00 2 853 414 76 GLU HB3 H 2.171 0.00 2 854 414 76 GLU HG2 H 2.564 0.00 2 855 414 76 GLU HG3 H 2.323 0.00 2 856 414 76 GLU C C 179.995 0.01 1 857 414 76 GLU CA C 60.069 0.04 1 858 414 76 GLU CB C 29.918 0.04 1 859 414 76 GLU CG C 36.576 0.03 1 860 414 76 GLU N N 121.465 0.01 1 861 415 77 LYS H H 8.836 0.01 1 862 415 77 LYS HB2 H 1.848 0.00 2 863 415 77 LYS HB3 H 1.848 0.00 2 864 415 77 LYS HG2 H 1.644 0.00 2 865 415 77 LYS HG3 H 1.778 0.00 2 866 415 77 LYS HD2 H 1.667 0.00 2 867 415 77 LYS HD3 H 1.413 0.01 2 868 415 77 LYS HE2 H 3.049 0.00 2 869 415 77 LYS HE3 H 2.894 0.00 2 870 415 77 LYS C C 179.804 0.00 1 871 415 77 LYS CA C 60.462 0.04 1 872 415 77 LYS CB C 34.456 0.02 1 873 415 77 LYS CG C 27.377 0.04 1 874 415 77 LYS CD C 29.523 0.04 1 875 415 77 LYS N N 120.067 0.02 1 876 416 78 SER H H 8.797 0.00 1 877 416 78 SER HA H 4.267 0.00 1 878 416 78 SER HB2 H 4.067 0.00 2 879 416 78 SER HB3 H 3.779 0.00 2 880 416 78 SER C C 176.755 0.00 1 881 416 78 SER CA C 63.110 0.01 1 882 416 78 SER N N 114.357 0.01 1 883 417 79 THR H H 8.066 0.00 1 884 417 79 THR HA H 3.793 0.00 1 885 417 79 THR HB H 4.483 0.00 1 886 417 79 THR HG1 H 5.670 0.00 1 887 417 79 THR HG2 H 1.362 0.00 1 888 417 79 THR C C 175.502 0.00 1 889 417 79 THR CA C 68.689 0.05 1 890 417 79 THR CG2 C 21.225 0.00 1 891 417 79 THR N N 121.006 0.03 1 892 418 80 MET H H 7.933 0.00 1 893 418 80 MET HA H 4.204 0.01 1 894 418 80 MET HB2 H 2.311 0.00 2 895 418 80 MET HB3 H 2.311 0.00 2 896 418 80 MET HG2 H 2.614 0.00 2 897 418 80 MET HG3 H 2.838 0.00 2 898 418 80 MET HE H 2.154 0.00 1 899 418 80 MET C C 179.713 0.00 1 900 418 80 MET CA C 59.480 0.01 1 901 418 80 MET CB C 32.078 0.00 1 902 418 80 MET CG C 32.109 0.00 1 903 418 80 MET CE C 17.191 0.00 1 904 418 80 MET N N 120.747 0.03 1 905 419 81 LEU H H 8.058 0.00 1 906 419 81 LEU HA H 3.991 0.00 1 907 419 81 LEU HB2 H 2.049 0.00 2 908 419 81 LEU HB3 H 1.397 0.00 2 909 419 81 LEU HG H 1.968 0.00 1 910 419 81 LEU HD1 H 1.044 0.00 2 911 419 81 LEU HD2 H 0.840 0.00 2 912 419 81 LEU C C 177.676 0.00 1 913 419 81 LEU CA C 57.977 0.01 1 914 419 81 LEU CB C 44.021 0.07 1 915 419 81 LEU CG C 27.367 0.00 1 916 419 81 LEU CD1 C 26.935 0.00 2 917 419 81 LEU CD2 C 23.163 0.00 2 918 419 81 LEU N N 120.705 0.04 1 919 420 82 TYR H H 9.243 0.00 1 920 420 82 TYR HA H 4.160 0.00 1 921 420 82 TYR HB2 H 3.114 0.00 2 922 420 82 TYR HB3 H 3.002 0.00 2 923 420 82 TYR HD1 H 7.171 0.00 3 924 420 82 TYR HD2 H 7.171 0.00 3 925 420 82 TYR HE1 H 6.744 0.00 3 926 420 82 TYR HE2 H 6.744 0.00 3 927 420 82 TYR C C 176.728 0.01 1 928 420 82 TYR CA C 63.125 0.02 1 929 420 82 TYR CB C 38.915 0.00 1 930 420 82 TYR CD1 C 132.808 0.01 3 931 420 82 TYR CE1 C 118.217 0.00 3 932 420 82 TYR N N 120.729 0.01 1 933 421 83 ASN H H 8.565 0.00 1 934 421 83 ASN HA H 4.247 0.00 1 935 421 83 ASN HB2 H 2.982 0.00 2 936 421 83 ASN HB3 H 2.734 0.00 2 937 421 83 ASN HD21 H 7.554 0.00 2 938 421 83 ASN HD22 H 7.047 0.00 2 939 421 83 ASN C C 177.394 0.00 1 940 421 83 ASN CA C 55.812 0.03 1 941 421 83 ASN CB C 37.613 0.04 1 942 421 83 ASN N N 116.589 0.03 1 943 422 84 LYS H H 7.930 0.00 1 944 422 84 LYS HA H 3.975 0.00 1 945 422 84 LYS HB2 H 1.866 0.00 2 946 422 84 LYS HB3 H 1.866 0.00 2 947 422 84 LYS HG2 H 1.411 0.00 2 948 422 84 LYS HG3 H 0.960 0.00 2 949 422 84 LYS HD2 H 1.535 0.00 2 950 422 84 LYS HD3 H 1.386 0.00 2 951 422 84 LYS HE2 H 2.767 0.00 2 952 422 84 LYS HE3 H 2.767 0.00 2 953 422 84 LYS C C 179.743 0.01 1 954 422 84 LYS CA C 59.828 0.03 1 955 422 84 LYS CB C 32.156 0.00 1 956 422 84 LYS CG C 24.925 0.07 1 957 422 84 LYS CD C 29.924 0.01 1 958 422 84 LYS CE C 41.968 0.00 1 959 422 84 LYS N N 122.217 0.02 1 960 423 85 PHE H H 8.045 0.00 1 961 423 85 PHE HA H 4.489 0.00 1 962 423 85 PHE HB2 H 3.172 0.00 2 963 423 85 PHE HB3 H 3.106 0.00 2 964 423 85 PHE HD1 H 7.392 0.00 3 965 423 85 PHE HD2 H 7.392 0.00 3 966 423 85 PHE HE1 H 7.060 0.00 3 967 423 85 PHE HE2 H 7.060 0.00 3 968 423 85 PHE HZ H 7.054 0.00 1 969 423 85 PHE C C 177.103 0.00 1 970 423 85 PHE CA C 61.742 0.03 1 971 423 85 PHE CB C 38.693 0.07 1 972 423 85 PHE CD1 C 131.856 0.05 3 973 423 85 PHE CE1 C 130.052 0.00 3 974 423 85 PHE CZ C 128.559 0.00 1 975 423 85 PHE N N 118.117 0.01 1 976 424 86 LYS H H 8.743 0.00 1 977 424 86 LYS HA H 4.268 0.00 1 978 424 86 LYS HB2 H 1.573 0.00 2 979 424 86 LYS HB3 H 1.025 0.01 2 980 424 86 LYS HG2 H 0.994 0.00 2 981 424 86 LYS HG3 H 0.638 0.00 2 982 424 86 LYS HD3 H 1.620 0.00 2 983 424 86 LYS HE2 H 2.938 0.00 2 984 424 86 LYS HE3 H 2.629 0.00 2 985 424 86 LYS C C 178.282 0.01 1 986 424 86 LYS CA C 59.885 0.01 1 987 424 86 LYS CB C 32.282 0.03 1 988 424 86 LYS CG C 24.583 0.03 1 989 424 86 LYS CD C 30.005 0.00 1 990 424 86 LYS CE C 42.260 0.00 1 991 424 86 LYS N N 121.411 0.01 1 992 425 87 ASN H H 8.049 0.00 1 993 425 87 ASN HA H 4.361 0.00 1 994 425 87 ASN HB2 H 2.748 0.01 2 995 425 87 ASN HB3 H 2.748 0.01 2 996 425 87 ASN HD21 H 7.487 0.00 2 997 425 87 ASN HD22 H 6.853 0.00 2 998 425 87 ASN C C 177.178 0.00 1 999 425 87 ASN CA C 55.750 0.02 1 1000 425 87 ASN CB C 38.353 0.02 1 1001 425 87 ASN N N 115.334 0.01 1 1002 426 88 MET H H 7.654 0.00 1 1003 426 88 MET HA H 4.021 0.00 1 1004 426 88 MET HB2 H 2.223 0.00 2 1005 426 88 MET HB3 H 1.961 0.00 2 1006 426 88 MET HG2 H 2.648 0.00 2 1007 426 88 MET HG3 H 2.373 0.00 2 1008 426 88 MET HE H 1.833 0.00 1 1009 426 88 MET C C 177.039 0.01 1 1010 426 88 MET CA C 58.764 0.00 1 1011 426 88 MET CB C 33.422 0.03 1 1012 426 88 MET CG C 31.633 0.00 1 1013 426 88 MET CE C 17.439 0.01 1 1014 426 88 MET N N 118.124 0.03 1 1015 427 89 PHE H H 7.569 0.00 1 1016 427 89 PHE HA H 4.353 0.00 1 1017 427 89 PHE HB2 H 3.061 0.00 2 1018 427 89 PHE HB3 H 2.738 0.00 2 1019 427 89 PHE HD1 H 7.585 0.00 3 1020 427 89 PHE HD2 H 7.585 0.00 3 1021 427 89 PHE HE1 H 7.252 0.00 3 1022 427 89 PHE HE2 H 7.252 0.00 3 1023 427 89 PHE HZ H 7.073 0.00 1 1024 427 89 PHE C C 176.438 0.00 1 1025 427 89 PHE CA C 60.033 0.02 1 1026 427 89 PHE CB C 40.122 0.09 1 1027 427 89 PHE CD1 C 132.827 0.03 3 1028 427 89 PHE CE1 C 130.733 0.00 3 1029 427 89 PHE CZ C 129.036 0.00 1 1030 427 89 PHE N N 115.478 0.03 1 1031 428 90 LEU H H 7.896 0.00 1 1032 428 90 LEU HA H 4.352 0.00 1 1033 428 90 LEU HB2 H 1.680 0.00 2 1034 428 90 LEU HB3 H 1.521 0.00 2 1035 428 90 LEU HG H 1.612 0.00 1 1036 428 90 LEU HD1 H 0.812 0.00 2 1037 428 90 LEU HD2 H 0.823 0.00 2 1038 428 90 LEU C C 177.663 0.00 1 1039 428 90 LEU CA C 55.882 0.01 1 1040 428 90 LEU CB C 41.969 0.01 1 1041 428 90 LEU CG C 27.026 0.04 1 1042 428 90 LEU CD1 C 25.430 0.03 2 1043 428 90 LEU CD2 C 23.379 0.01 2 1044 428 90 LEU N N 119.756 0.01 1 1045 429 91 VAL H H 7.900 0.00 1 1046 429 91 VAL HA H 4.077 0.00 1 1047 429 91 VAL HB H 2.123 0.00 1 1048 429 91 VAL HG1 H 0.921 0.00 2 1049 429 91 VAL HG2 H 0.921 0.00 2 1050 429 91 VAL C C 176.991 0.00 1 1051 429 91 VAL CA C 63.042 0.01 1 1052 429 91 VAL CB C 32.620 0.02 1 1053 429 91 VAL CG1 C 21.151 0.14 2 1054 429 91 VAL CG2 C 21.079 0.00 2 1055 429 91 VAL N N 118.858 0.02 1 1056 430 92 GLY H H 8.197 0.00 1 1057 430 92 GLY HA2 H 4.072 0.00 2 1058 430 92 GLY HA3 H 3.971 0.00 2 1059 430 92 GLY C C 174.149 0.00 1 1060 430 92 GLY CA C 45.388 0.02 1 1061 430 92 GLY N N 110.947 0.01 1 1062 431 93 GLU H H 8.309 0.00 1 1063 431 93 GLU HA H 4.323 0.00 1 1064 431 93 GLU HB2 H 2.093 0.00 2 1065 431 93 GLU HB3 H 1.933 0.00 2 1066 431 93 GLU HG2 H 2.243 0.00 2 1067 431 93 GLU HG3 H 2.243 0.00 2 1068 431 93 GLU C C 177.094 0.00 1 1069 431 93 GLU CA C 56.628 0.02 1 1070 431 93 GLU CB C 30.555 0.01 1 1071 431 93 GLU N N 120.555 0.01 1 1072 432 94 GLY H H 8.456 0.00 1 1073 432 94 GLY HA2 H 4.006 0.01 2 1074 432 94 GLY HA3 H 3.930 0.00 2 1075 432 94 GLY C C 174.089 0.01 1 1076 432 94 GLY CA C 45.524 0.08 1 1077 432 94 GLY N N 109.900 0.01 1 1078 433 95 ASP H H 8.268 0.00 1 1079 433 95 ASP HA H 4.610 0.00 1 1080 433 95 ASP HB2 H 2.683 0.00 2 1081 433 95 ASP HB3 H 2.621 0.00 2 1082 433 95 ASP C C 176.407 0.00 1 1083 433 95 ASP CA C 54.536 0.02 1 1084 433 95 ASP CB C 41.275 0.05 1 1085 433 95 ASP N N 120.589 0.01 1 1086 434 96 SER H H 8.160 0.00 1 1087 434 96 SER HA H 4.467 0.00 1 1088 434 96 SER HB2 H 3.908 0.00 2 1089 434 96 SER HB3 H 3.880 0.00 2 1090 434 96 SER C C 174.627 0.00 1 1091 434 96 SER CA C 58.627 0.01 1 1092 434 96 SER CB C 63.922 0.05 1 1093 434 96 SER N N 115.676 0.01 1 1094 435 97 VAL H H 8.116 0.00 1 1095 435 97 VAL HA H 4.122 0.00 1 1096 435 97 VAL HB H 2.103 0.00 1 1097 435 97 VAL HG1 H 0.940 0.00 2 1098 435 97 VAL HG2 H 0.940 0.00 2 1099 435 97 VAL C C 176.431 0.01 1 1100 435 97 VAL CA C 62.861 0.01 1 1101 435 97 VAL CB C 32.534 0.01 1 1102 435 97 VAL CG1 C 21.172 0.00 2 1103 435 97 VAL CG2 C 20.906 0.08 2 1104 435 97 VAL N N 121.597 0.01 1 1105 436 98 ILE H H 8.182 0.00 1 1106 436 98 ILE HA H 4.201 0.00 1 1107 436 98 ILE HB H 1.895 0.00 1 1108 436 98 ILE HG12 H 1.217 0.00 2 1109 436 98 ILE HG13 H 1.491 0.00 2 1110 436 98 ILE HG2 H 0.913 0.00 1 1111 436 98 ILE HD1 H 0.853 0.00 1 1112 436 98 ILE C C 176.548 0.01 1 1113 436 98 ILE CA C 61.470 0.01 1 1114 436 98 ILE CB C 38.482 0.01 1 1115 436 98 ILE CG1 C 27.548 0.04 1 1116 436 98 ILE CG2 C 17.708 0.05 1 1117 436 98 ILE CD1 C 12.919 0.06 1 1118 436 98 ILE N N 123.636 0.01 1 1119 437 99 THR H H 8.113 0.00 1 1120 437 99 THR HA H 4.290 0.00 1 1121 437 99 THR HB H 4.192 0.00 1 1122 437 99 THR HG2 H 1.200 0.00 1 1123 437 99 THR C C 174.558 0.01 1 1124 437 99 THR CA C 62.426 0.03 1 1125 437 99 THR CB C 69.622 0.02 1 1126 437 99 THR CG2 C 21.848 0.00 1 1127 437 99 THR N N 117.845 0.01 1 1128 438 100 GLN H H 8.279 0.00 1 1129 438 100 GLN HA H 4.364 0.00 1 1130 438 100 GLN HB2 H 2.105 0.00 2 1131 438 100 GLN HB3 H 2.002 0.00 2 1132 438 100 GLN HG2 H 2.356 0.00 2 1133 438 100 GLN HG3 H 2.356 0.00 2 1134 438 100 GLN HE21 H 7.526 0.00 2 1135 438 100 GLN HE22 H 6.871 0.00 2 1136 438 100 GLN C C 175.947 0.00 1 1137 438 100 GLN CA C 56.174 0.01 1 1138 438 100 GLN CB C 29.649 0.13 1 1139 438 100 GLN CG C 33.841 0.00 1 1140 438 100 GLN N N 122.704 0.02 1 1141 438 100 GLN NE2 N 112.322 0.01 1 1142 439 101 VAL H H 8.165 0.00 1 1143 439 101 VAL HA H 4.052 0.00 1 1144 439 101 VAL HB H 2.074 0.00 1 1145 439 101 VAL HG1 H 0.952 0.00 2 1146 439 101 VAL HG2 H 0.952 0.00 2 1147 439 101 VAL C C 176.281 0.05 1 1148 439 101 VAL CA C 62.842 0.01 1 1149 439 101 VAL CB C 32.576 0.02 1 1150 439 101 VAL CG1 C 21.295 0.00 2 1151 439 101 VAL CG2 C 20.989 0.12 2 1152 439 101 VAL N N 121.505 0.01 1 1153 440 102 LEU H H 8.292 0.00 1 1154 440 102 LEU HA H 4.348 0.01 1 1155 440 102 LEU HB2 H 1.655 0.00 2 1156 440 102 LEU HB3 H 1.562 0.00 2 1157 440 102 LEU HG H 1.623 0.00 1 1158 440 102 LEU HD1 H 0.948 0.00 2 1159 440 102 LEU HD2 H 0.862 0.00 2 1160 440 102 LEU C C 177.062 0.00 1 1161 440 102 LEU CA C 55.374 0.02 1 1162 440 102 LEU CB C 42.476 0.03 1 1163 440 102 LEU CG C 26.971 0.03 1 1164 440 102 LEU CD1 C 24.488 0.40 2 1165 440 102 LEU CD2 C 23.605 0.01 2 1166 440 102 LEU N N 125.267 0.01 1 1167 441 103 ASN H H 8.367 0.00 1 1168 441 103 ASN HA H 4.667 0.00 1 1169 441 103 ASN HB2 H 2.852 0.00 2 1170 441 103 ASN HB3 H 2.784 0.00 2 1171 441 103 ASN C C 175.476 0.01 1 1172 441 103 ASN CA C 53.410 0.01 1 1173 441 103 ASN CB C 38.737 0.00 1 1174 441 103 ASN N N 119.490 0.01 1 1175 442 104 LYS H H 8.312 0.00 1 1176 442 104 LYS HA H 4.233 0.00 1 1177 442 104 LYS HB2 H 1.857 0.00 2 1178 442 104 LYS HB3 H 1.785 0.00 2 1179 442 104 LYS HG2 H 1.451 0.00 2 1180 442 104 LYS HG3 H 1.422 0.00 2 1181 442 104 LYS HD2 H 1.679 0.00 2 1182 442 104 LYS HD3 H 1.679 0.00 2 1183 442 104 LYS C C 176.793 0.00 1 1184 442 104 LYS CA C 57.159 0.00 1 1185 442 104 LYS CB C 32.883 0.04 1 1186 442 104 LYS CG C 24.731 0.02 1 1187 442 104 LYS CD C 29.076 0.03 1 1188 442 104 LYS CE C 42.235 0.00 1 1189 442 104 LYS N N 122.300 0.01 1 1190 447 105 GLU H H 8.418 0.00 1 1191 447 105 GLU HA H 4.250 0.00 1 1192 447 105 GLU HB2 H 2.069 0.00 2 1193 447 105 GLU HB3 H 1.985 0.00 2 1194 447 105 GLU HG2 H 2.289 0.00 2 1195 447 105 GLU HG3 H 2.254 0.00 2 1196 447 105 GLU C C 177.024 0.00 1 1197 447 105 GLU CA C 57.120 0.02 1 1198 447 105 GLU CB C 29.920 0.02 1 1199 447 105 GLU N N 120.915 0.02 1 1200 448 106 LEU H H 8.152 0.00 1 1201 448 106 LEU HA H 4.341 0.01 1 1202 448 106 LEU HB2 H 1.694 0.00 2 1203 448 106 LEU HB3 H 1.618 0.00 2 1204 448 106 LEU HG H 1.619 0.00 1 1205 448 106 LEU HD1 H 0.944 0.00 2 1206 448 106 LEU HD2 H 0.879 0.00 2 1207 448 106 LEU C C 177.754 0.00 1 1208 448 106 LEU CA C 55.522 0.02 1 1209 448 106 LEU CB C 42.222 0.01 1 1210 448 106 LEU CG C 27.092 0.07 1 1211 448 106 LEU CD1 C 25.072 0.04 2 1212 448 106 LEU CD2 C 23.412 0.00 2 1213 448 106 LEU N N 122.016 0.02 1 1214 449 107 SER H H 8.193 0.00 1 1215 449 107 SER HA H 4.401 0.00 1 1216 449 107 SER HB2 H 3.923 0.00 2 1217 449 107 SER HB3 H 3.858 0.00 2 1218 449 107 SER C C 174.625 0.01 1 1219 449 107 SER CA C 58.822 0.02 1 1220 449 107 SER CB C 63.857 0.02 1 1221 449 107 SER N N 115.901 0.01 1 1222 450 108 ASP H H 8.353 0.00 1 1223 450 108 ASP HA H 4.601 0.00 1 1224 450 108 ASP HB2 H 2.690 0.00 2 1225 450 108 ASP HB3 H 2.690 0.00 2 1226 450 108 ASP C C 176.496 0.01 1 1227 450 108 ASP CA C 54.654 0.01 1 1228 450 108 ASP CB C 41.023 0.01 1 1229 450 108 ASP N N 122.388 0.02 1 1230 451 109 LYS H H 8.107 0.00 1 1231 451 109 LYS HA H 4.260 0.00 1 1232 451 109 LYS HB2 H 1.848 0.00 2 1233 451 109 LYS HB3 H 1.773 0.00 2 1234 451 109 LYS C C 176.921 0.00 1 1235 451 109 LYS CA C 56.621 0.02 1 1236 451 109 LYS CB C 32.807 0.03 1 1237 451 109 LYS N N 121.260 0.01 1 1238 452 110 LYS H H 8.312 0.00 1 1239 452 110 LYS HA H 4.268 0.00 1 1240 452 110 LYS HB2 H 1.838 0.00 2 1241 452 110 LYS HB3 H 1.792 0.00 2 1242 452 110 LYS C C 176.782 0.00 1 1243 452 110 LYS CA C 56.748 0.04 1 1244 452 110 LYS CB C 32.800 0.02 1 1245 452 110 LYS CG C 24.762 0.00 1 1246 452 110 LYS CD C 29.044 0.00 1 1247 452 110 LYS CE C 42.248 0.00 1 1248 452 110 LYS N N 121.863 0.02 1 1249 453 111 ASN H H 8.431 0.00 1 1250 453 111 ASN HA H 4.669 0.00 1 1251 453 111 ASN HB2 H 2.855 0.00 2 1252 453 111 ASN HB3 H 2.771 0.00 2 1253 453 111 ASN HD21 H 7.609 0.00 2 1254 453 111 ASN HD22 H 6.942 0.00 2 1255 453 111 ASN C C 175.458 0.00 1 1256 453 111 ASN CA C 53.730 0.01 1 1257 453 111 ASN CB C 38.875 0.00 1 1258 453 111 ASN N N 119.481 0.01 1 1259 453 111 ASN ND2 N 113.042 0.01 1 1260 454 112 GLU H H 8.401 0.00 1 1261 454 112 GLU HA H 4.275 0.00 1 1262 454 112 GLU HB2 H 2.092 0.00 2 1263 454 112 GLU HB3 H 1.965 0.00 2 1264 454 112 GLU C C 176.668 0.00 1 1265 454 112 GLU CA C 57.072 0.00 1 1266 454 112 GLU CB C 30.309 0.00 1 1267 454 112 GLU CG C 36.419 0.00 1 1268 454 112 GLU N N 121.048 0.04 1 1269 455 113 GLU H H 8.349 0.00 1 1270 455 113 GLU HA H 4.253 0.00 1 1271 455 113 GLU HB2 H 2.082 0.00 2 1272 455 113 GLU HB3 H 1.989 0.00 2 1273 455 113 GLU C C 176.632 0.00 1 1274 455 113 GLU CA C 56.978 0.03 1 1275 455 113 GLU CB C 30.008 0.02 1 1276 455 113 GLU CG C 36.434 0.00 1 1277 455 113 GLU N N 121.358 0.02 1 1278 456 114 LYS H H 8.167 0.00 1 1279 456 114 LYS HA H 4.266 0.00 1 1280 456 114 LYS HB2 H 1.810 0.00 2 1281 456 114 LYS HB3 H 1.764 0.00 2 1282 456 114 LYS HG2 H 1.441 0.00 2 1283 456 114 LYS HG3 H 1.388 0.00 2 1284 456 114 LYS HD2 H 1.695 0.00 2 1285 456 114 LYS HD3 H 1.695 0.00 2 1286 456 114 LYS C C 176.363 0.00 1 1287 456 114 LYS CA C 56.636 0.03 1 1288 456 114 LYS CB C 33.169 0.02 1 1289 456 114 LYS CG C 24.629 0.03 1 1290 456 114 LYS CD C 29.127 0.04 1 1291 456 114 LYS CE C 42.239 0.00 1 1292 456 114 LYS N N 121.462 0.03 1 1293 457 115 ASP H H 8.329 0.00 1 1294 457 115 ASP HA H 4.561 0.00 1 1295 457 115 ASP HB2 H 2.675 0.00 2 1296 457 115 ASP HB3 H 2.599 0.00 2 1297 457 115 ASP C C 176.355 0.00 1 1298 457 115 ASP CA C 54.487 0.01 1 1299 457 115 ASP CB C 41.124 0.01 1 1300 457 115 ASP N N 121.078 0.02 1 1301 458 116 LEU H H 8.074 0.00 1 1302 458 116 LEU HA H 4.209 0.00 1 1303 458 116 LEU HB2 H 1.448 0.00 2 1304 458 116 LEU HB3 H 1.328 0.00 2 1305 458 116 LEU HG H 1.483 0.00 1 1306 458 116 LEU HD1 H 0.848 0.00 2 1307 458 116 LEU HD2 H 0.780 0.00 2 1308 458 116 LEU C C 177.408 0.00 1 1309 458 116 LEU CA C 55.594 0.02 1 1310 458 116 LEU CB C 42.251 0.01 1 1311 458 116 LEU CG C 26.905 0.03 1 1312 458 116 LEU CD1 C 24.976 0.08 2 1313 458 116 LEU CD2 C 23.410 0.00 2 1314 458 116 LEU N N 122.327 0.01 1 1315 459 117 PHE H H 8.222 0.00 1 1316 459 117 PHE HA H 4.650 0.00 1 1317 459 117 PHE HB2 H 3.245 0.00 2 1318 459 117 PHE HB3 H 3.024 0.00 2 1319 459 117 PHE HD1 H 7.282 0.00 3 1320 459 117 PHE HD2 H 7.282 0.00 3 1321 459 117 PHE HE1 H 7.353 0.00 3 1322 459 117 PHE HE2 H 7.353 0.00 3 1323 459 117 PHE C C 176.476 0.00 1 1324 459 117 PHE CA C 57.872 0.01 1 1325 459 117 PHE CB C 39.451 0.00 1 1326 459 117 PHE CD1 C 131.865 0.09 3 1327 459 117 PHE CE1 C 131.671 0.00 3 1328 459 117 PHE N N 119.495 0.04 1 1329 460 118 GLY H H 8.251 0.00 1 1330 460 118 GLY HA2 H 3.974 0.00 2 1331 460 118 GLY HA3 H 3.974 0.00 2 1332 460 118 GLY C C 174.352 0.00 1 1333 460 118 GLY CA C 45.479 0.02 1 1334 460 118 GLY N N 110.210 0.01 1 1335 461 119 SER H H 8.279 0.00 1 1336 461 119 SER HA H 4.487 0.00 1 1337 461 119 SER HB2 H 3.917 0.00 2 1338 461 119 SER HB3 H 3.874 0.00 2 1339 461 119 SER C C 174.507 0.04 1 1340 461 119 SER CA C 58.537 0.01 1 1341 461 119 SER CB C 64.052 0.02 1 1342 461 119 SER N N 115.761 0.01 1 1343 462 120 ASP H H 8.520 0.00 1 1344 462 120 ASP HA H 4.640 0.00 1 1345 462 120 ASP HB2 H 2.744 0.01 2 1346 462 120 ASP HB3 H 2.691 0.00 2 1347 462 120 ASP C C 176.498 0.00 1 1348 462 120 ASP CA C 54.501 0.01 1 1349 462 120 ASP CB C 41.210 0.02 1 1350 462 120 ASP N N 122.353 0.01 1 1351 463 121 SER H H 8.237 0.00 1 1352 463 121 SER HA H 4.458 0.00 1 1353 463 121 SER HB2 H 3.886 0.00 2 1354 463 121 SER HB3 H 3.886 0.00 2 1355 463 121 SER C C 174.829 0.02 1 1356 463 121 SER CA C 58.722 0.02 1 1357 463 121 SER CB C 63.944 0.04 1 1358 463 121 SER N N 115.830 0.02 1 1359 464 122 GLU H H 8.444 0.00 1 1360 464 122 GLU HA H 4.361 0.00 1 1361 464 122 GLU HB2 H 2.126 0.00 2 1362 464 122 GLU HB3 H 1.973 0.00 2 1363 464 122 GLU HG2 H 2.265 0.00 2 1364 464 122 GLU HG3 H 2.265 0.00 2 1365 464 122 GLU C C 176.757 0.00 1 1366 464 122 GLU CA C 56.766 0.02 1 1367 464 122 GLU CB C 30.199 0.01 1 1368 464 122 GLU CG C 36.339 0.00 1 1369 464 122 GLU N N 122.603 0.04 1 1370 465 123 SER H H 8.325 0.00 1 1371 465 123 SER HA H 4.460 0.00 1 1372 465 123 SER HB2 H 3.894 0.00 2 1373 465 123 SER HB3 H 3.894 0.00 2 1374 465 123 SER C C 175.143 0.00 1 1375 465 123 SER CA C 58.738 0.01 1 1376 465 123 SER CB C 63.999 0.02 1 1377 465 123 SER N N 116.484 0.01 1 1378 466 124 GLY H H 8.461 0.00 1 1379 466 124 GLY HA2 H 4.009 0.00 2 1380 466 124 GLY HA3 H 4.009 0.00 2 1381 466 124 GLY C C 173.989 0.00 1 1382 466 124 GLY CA C 45.467 0.01 1 1383 466 124 GLY N N 110.902 0.00 1 1384 467 125 ASN H H 8.347 0.00 1 1385 467 125 ASN HA H 4.773 0.00 1 1386 467 125 ASN HB2 H 2.855 0.00 2 1387 467 125 ASN HB3 H 2.764 0.00 2 1388 467 125 ASN C C 175.506 0.00 1 1389 467 125 ASN CA C 53.234 0.01 1 1390 467 125 ASN CB C 39.126 0.00 1 1391 467 125 ASN N N 118.798 0.00 1 1392 468 126 GLU H H 8.655 0.00 1 1393 468 126 GLU HA H 4.231 0.00 1 1394 468 126 GLU HB2 H 2.084 0.00 2 1395 468 126 GLU HB3 H 1.980 0.00 2 1396 468 126 GLU HG2 H 2.311 0.00 2 1397 468 126 GLU HG3 H 2.311 0.00 2 1398 468 126 GLU C C 177.137 0.01 1 1399 468 126 GLU CA C 57.696 0.00 1 1400 468 126 GLU CB C 29.950 0.01 1 1401 468 126 GLU CG C 36.407 0.00 1 1402 468 126 GLU N N 121.607 0.01 1 1403 469 127 GLU H H 8.489 0.00 1 1404 469 127 GLU HA H 4.396 0.00 1 1405 469 127 GLU HB2 H 2.073 0.00 2 1406 469 127 GLU HB3 H 1.984 0.00 2 1407 469 127 GLU HG2 H 2.288 0.00 2 1408 469 127 GLU HG3 H 2.288 0.00 2 1409 469 127 GLU C C 177.008 0.00 1 1410 469 127 GLU CA C 57.508 0.01 1 1411 469 127 GLU CB C 30.020 0.00 1 1412 469 127 GLU N N 121.137 0.01 1 1413 470 128 GLU H H 8.352 0.00 1 1414 470 128 GLU HA H 4.187 0.00 1 1415 470 128 GLU HB2 H 2.035 0.00 2 1416 470 128 GLU HB3 H 1.985 0.00 2 1417 470 128 GLU HG2 H 2.299 0.00 2 1418 470 128 GLU HG3 H 2.250 0.00 2 1419 470 128 GLU C C 176.838 0.00 1 1420 470 128 GLU CA C 57.400 0.06 1 1421 470 128 GLU CB C 30.206 0.00 1 1422 470 128 GLU CG C 36.396 0.02 1 1423 470 128 GLU N N 121.184 0.04 1 1424 471 129 ASN H H 8.466 0.00 1 1425 471 129 ASN HA H 4.686 0.00 1 1426 471 129 ASN HB2 H 2.891 0.00 2 1427 471 129 ASN HB3 H 2.753 0.00 2 1428 471 129 ASN HD21 H 7.647 0.00 2 1429 471 129 ASN HD22 H 6.874 0.00 2 1430 471 129 ASN C C 175.483 0.01 1 1431 471 129 ASN CA C 53.635 0.02 1 1432 471 129 ASN CB C 38.691 0.01 1 1433 471 129 ASN N N 119.938 0.02 1 1434 471 129 ASN ND2 N 112.441 0.22 1 1435 472 130 LEU H H 8.182 0.00 1 1436 472 130 LEU HA H 4.232 0.00 1 1437 472 130 LEU HB2 H 1.731 0.00 2 1438 472 130 LEU HB3 H 1.634 0.00 2 1439 472 130 LEU HG H 1.622 0.00 1 1440 472 130 LEU HD1 H 0.914 0.00 2 1441 472 130 LEU HD2 H 0.848 0.00 2 1442 472 130 LEU C C 178.370 0.00 1 1443 472 130 LEU CA C 57.044 0.03 1 1444 472 130 LEU CB C 42.180 0.00 1 1445 472 130 LEU CG C 27.122 0.00 1 1446 472 130 LEU CD1 C 25.022 0.00 2 1447 472 130 LEU CD2 C 24.023 0.00 2 1448 472 130 LEU N N 122.809 0.01 1 1449 473 131 ILE H H 8.022 0.00 1 1450 473 131 ILE HA H 3.816 0.00 1 1451 473 131 ILE HB H 1.943 0.00 1 1452 473 131 ILE HG12 H 1.524 0.00 2 1453 473 131 ILE HG13 H 1.215 0.00 2 1454 473 131 ILE HG2 H 0.861 0.00 1 1455 473 131 ILE HD1 H 0.741 0.00 1 1456 473 131 ILE C C 176.929 0.00 1 1457 473 131 ILE CA C 62.962 0.01 1 1458 473 131 ILE CB C 37.538 0.03 1 1459 473 131 ILE CG1 C 28.427 0.02 1 1460 473 131 ILE CG2 C 17.864 0.03 1 1461 473 131 ILE CD1 C 12.643 0.11 1 1462 473 131 ILE N N 119.348 0.02 1 1463 474 132 ALA H H 7.921 0.00 1 1464 474 132 ALA HA H 4.096 0.00 1 1465 474 132 ALA HB H 1.427 0.00 1 1466 474 132 ALA C C 179.411 0.00 1 1467 474 132 ALA CA C 54.294 0.02 1 1468 474 132 ALA CB C 18.677 0.01 1 1469 474 132 ALA N N 122.836 0.02 1 1470 475 133 ASP H H 7.962 0.00 1 1471 475 133 ASP HA H 4.464 0.00 1 1472 475 133 ASP HB2 H 2.683 0.00 2 1473 475 133 ASP HB3 H 2.683 0.00 2 1474 475 133 ASP C C 178.349 0.01 1 1475 475 133 ASP CA C 56.011 0.01 1 1476 475 133 ASP CB C 40.868 0.00 1 1477 475 133 ASP N N 117.578 0.01 1 1478 476 134 ILE H H 7.850 0.00 1 1479 476 134 ILE HA H 3.784 0.00 1 1480 476 134 ILE HB H 1.396 0.00 1 1481 476 134 ILE HG12 H 1.005 0.00 2 1482 476 134 ILE HG13 H 0.965 0.00 2 1483 476 134 ILE HG2 H 0.133 0.00 1 1484 476 134 ILE HD1 H 0.486 0.00 1 1485 476 134 ILE C C 177.443 0.00 1 1486 476 134 ILE CA C 63.251 0.02 1 1487 476 134 ILE CB C 37.779 0.01 1 1488 476 134 ILE CG1 C 27.173 0.01 1 1489 476 134 ILE CG2 C 16.701 0.04 1 1490 476 134 ILE CD1 C 12.897 0.00 1 1491 476 134 ILE N N 118.922 0.01 1 1492 477 135 PHE H H 7.694 0.00 1 1493 477 135 PHE HA H 5.111 0.01 1 1494 477 135 PHE HB2 H 3.358 0.00 2 1495 477 135 PHE HB3 H 2.807 0.00 2 1496 477 135 PHE HD1 H 7.209 0.00 3 1497 477 135 PHE HD2 H 7.209 0.00 3 1498 477 135 PHE HE1 H 6.638 0.00 3 1499 477 135 PHE HE2 H 6.638 0.00 3 1500 477 135 PHE HZ H 6.685 0.00 1 1501 477 135 PHE C C 176.399 0.00 1 1502 477 135 PHE CA C 57.793 0.01 1 1503 477 135 PHE CB C 39.185 0.02 1 1504 477 135 PHE CD1 C 131.935 0.00 3 1505 477 135 PHE CE1 C 130.895 0.00 3 1506 477 135 PHE CZ C 128.745 0.00 1 1507 477 135 PHE N N 116.476 0.01 1 1508 478 136 GLY H H 7.748 0.00 1 1509 478 136 GLY HA2 H 4.117 0.00 2 1510 478 136 GLY HA3 H 3.920 0.00 2 1511 478 136 GLY C C 174.185 0.00 1 1512 478 136 GLY CA C 45.917 0.03 1 1513 478 136 GLY N N 108.847 0.01 1 1514 479 137 GLU H H 8.527 0.00 1 1515 479 137 GLU HA H 4.611 0.00 1 1516 479 137 GLU HB2 H 2.171 0.00 2 1517 479 137 GLU HB3 H 1.893 0.00 2 1518 479 137 GLU HG2 H 2.389 0.00 2 1519 479 137 GLU HG3 H 2.302 0.00 2 1520 479 137 GLU C C 176.689 0.01 1 1521 479 137 GLU CA C 55.695 0.01 1 1522 479 137 GLU CB C 30.961 0.01 1 1523 479 137 GLU CG C 35.991 0.11 1 1524 479 137 GLU N N 121.653 0.03 1 1525 480 138 SER H H 8.710 0.00 1 1526 480 138 SER HA H 4.504 0.00 1 1527 480 138 SER HB2 H 3.919 0.00 2 1528 480 138 SER HB3 H 3.880 0.00 2 1529 480 138 SER C C 175.360 0.00 1 1530 480 138 SER CA C 58.587 0.01 1 1531 480 138 SER CB C 64.055 0.02 1 1532 480 138 SER N N 117.915 0.00 1 1533 481 139 GLY H H 8.650 0.00 1 1534 481 139 GLY HA2 H 4.014 0.00 2 1535 481 139 GLY HA3 H 3.990 0.00 2 1536 481 139 GLY C C 174.419 0.00 1 1537 481 139 GLY CA C 45.651 0.02 1 1538 481 139 GLY N N 111.639 0.00 1 1539 482 140 ASP H H 8.292 0.00 1 1540 482 140 ASP HA H 4.593 0.00 1 1541 482 140 ASP HB2 H 2.713 0.00 2 1542 482 140 ASP HB3 H 2.603 0.00 2 1543 482 140 ASP C C 176.776 0.00 1 1544 482 140 ASP CA C 54.822 0.00 1 1545 482 140 ASP CB C 41.099 0.00 1 1546 482 140 ASP N N 120.604 0.02 1 1547 483 141 GLU H H 8.468 0.00 1 1548 483 141 GLU HA H 4.219 0.00 1 1549 483 141 GLU HB2 H 2.071 0.00 2 1550 483 141 GLU HB3 H 1.964 0.00 2 1551 483 141 GLU C C 176.915 0.01 1 1552 483 141 GLU CA C 57.343 0.02 1 1553 483 141 GLU CB C 29.968 0.04 1 1554 483 141 GLU CG C 36.393 0.00 1 1555 483 141 GLU N N 120.456 0.01 1 1556 484 142 GLU H H 8.225 0.00 1 1557 484 142 GLU C C 176.598 0.01 1 1558 484 142 GLU CA C 56.976 0.05 1 1559 484 142 GLU CB C 30.211 0.00 1 1560 484 142 GLU N N 120.421 0.03 1 1561 485 143 GLU H H 8.218 0.00 1 1562 485 143 GLU HA H 4.292 0.00 1 1563 485 143 GLU HB2 H 2.101 0.00 2 1564 485 143 GLU HB3 H 1.924 0.00 2 1565 485 143 GLU C C 176.517 0.06 1 1566 485 143 GLU CA C 56.439 0.04 1 1567 485 143 GLU CB C 30.434 0.04 1 1568 485 143 GLU CG C 36.433 0.00 1 1569 485 143 GLU N N 120.531 0.01 1 1570 486 144 GLU H H 8.189 0.00 1 1571 486 144 GLU HA H 4.280 0.00 1 1572 486 144 GLU HB2 H 2.065 0.01 2 1573 486 144 GLU HB3 H 2.014 0.00 2 1574 486 144 GLU HG2 H 2.320 0.00 2 1575 486 144 GLU HG3 H 2.287 0.00 2 1576 486 144 GLU C C 175.993 0.00 1 1577 486 144 GLU CA C 56.525 0.03 1 1578 486 144 GLU CB C 30.849 0.03 1 1579 486 144 GLU CG C 36.242 0.00 1 1580 486 144 GLU N N 121.981 0.02 1 1581 487 145 GLU H H 8.535 0.00 1 1582 487 145 GLU HA H 4.432 0.00 1 1583 487 145 GLU HB2 H 2.003 0.00 2 1584 487 145 GLU HB3 H 1.949 0.00 2 1585 487 145 GLU HG2 H 2.209 0.00 2 1586 487 145 GLU HG3 H 2.078 0.00 2 1587 487 145 GLU C C 175.111 0.00 1 1588 487 145 GLU CA C 56.417 0.03 1 1589 487 145 GLU CB C 31.033 0.02 1 1590 487 145 GLU CG C 36.331 0.02 1 1591 487 145 GLU N N 122.207 0.01 1 1592 488 146 PHE H H 8.248 0.00 1 1593 488 146 PHE HA H 4.893 0.00 1 1594 488 146 PHE HB2 H 3.144 0.00 2 1595 488 146 PHE HB3 H 2.538 0.00 2 1596 488 146 PHE HD1 H 7.109 0.00 3 1597 488 146 PHE HD2 H 7.109 0.00 3 1598 488 146 PHE HE1 H 6.613 0.00 3 1599 488 146 PHE HE2 H 6.613 0.00 3 1600 488 146 PHE HZ H 5.230 0.00 1 1601 488 146 PHE C C 175.818 0.00 1 1602 488 146 PHE CA C 57.349 0.02 1 1603 488 146 PHE CB C 41.258 0.01 1 1604 488 146 PHE CD1 C 131.405 0.10 3 1605 488 146 PHE CE1 C 131.162 0.00 3 1606 488 146 PHE CZ C 129.673 0.00 1 1607 488 146 PHE N N 126.538 0.03 1 1608 489 147 THR H H 8.339 0.00 1 1609 489 147 THR HA H 4.330 0.00 1 1610 489 147 THR HB H 4.324 0.00 1 1611 489 147 THR HG2 H 1.030 0.00 1 1612 489 147 THR CA C 61.213 0.03 1 1613 489 147 THR CB C 69.074 0.00 1 1614 489 147 THR CG2 C 21.908 0.00 1 1615 489 147 THR N N 117.043 0.00 1 1616 490 148 GLY HA2 H 4.390 0.00 2 1617 490 148 GLY HA3 H 3.037 0.01 2 1618 490 148 GLY C C 172.197 0.00 1 1619 490 148 GLY CA C 43.703 0.03 1 1620 491 149 PHE H H 8.839 0.01 1 1621 491 149 PHE HA H 4.748 0.00 1 1622 491 149 PHE HB2 H 3.217 0.00 2 1623 491 149 PHE HB3 H 2.650 0.00 2 1624 491 149 PHE HD1 H 7.563 0.00 3 1625 491 149 PHE HD2 H 7.563 0.00 3 1626 491 149 PHE HE1 H 7.264 0.00 3 1627 491 149 PHE HE2 H 7.264 0.00 3 1628 491 149 PHE HZ H 7.097 0.00 1 1629 491 149 PHE C C 175.738 0.01 1 1630 491 149 PHE CA C 58.542 0.02 1 1631 491 149 PHE CB C 41.009 0.03 1 1632 491 149 PHE CD1 C 133.018 0.01 3 1633 491 149 PHE CE1 C 130.926 0.00 3 1634 491 149 PHE CZ C 129.897 0.00 1 1635 491 149 PHE N N 117.940 0.02 1 1636 492 150 ASN H H 9.357 0.01 1 1637 492 150 ASN HA H 4.879 0.01 1 1638 492 150 ASN HB2 H 2.941 0.01 2 1639 492 150 ASN HB3 H 2.838 0.00 2 1640 492 150 ASN HD21 H 7.722 0.00 2 1641 492 150 ASN HD22 H 6.926 0.00 2 1642 492 150 ASN C C 175.846 0.01 1 1643 492 150 ASN CA C 52.407 0.05 1 1644 492 150 ASN CB C 40.164 0.03 1 1645 492 150 ASN N N 121.475 0.02 1 1646 492 150 ASN ND2 N 113.416 0.04 1 1647 493 151 GLN H H 8.867 0.00 1 1648 493 151 GLN HA H 4.036 0.00 1 1649 493 151 GLN HB2 H 2.147 0.00 2 1650 493 151 GLN HB3 H 2.061 0.00 2 1651 493 151 GLN HG2 H 2.412 0.00 2 1652 493 151 GLN HG3 H 2.412 0.00 2 1653 493 151 GLN HE21 H 7.673 0.00 2 1654 493 151 GLN HE22 H 6.896 0.00 2 1655 493 151 GLN C C 177.487 0.01 1 1656 493 151 GLN CA C 58.485 0.01 1 1657 493 151 GLN CB C 28.715 0.04 1 1658 493 151 GLN CG C 33.478 0.01 1 1659 493 151 GLN N N 120.747 0.01 1 1660 493 151 GLN NE2 N 112.831 0.02 1 1661 494 152 GLU H H 8.879 0.00 1 1662 494 152 GLU HA H 4.186 0.00 1 1663 494 152 GLU HB2 H 2.055 0.00 2 1664 494 152 GLU HB3 H 2.004 0.00 2 1665 494 152 GLU HG2 H 2.296 0.00 2 1666 494 152 GLU HG3 H 2.296 0.00 2 1667 494 152 GLU C C 177.170 0.01 1 1668 494 152 GLU CA C 58.277 0.04 1 1669 494 152 GLU CB C 29.277 0.01 1 1670 494 152 GLU CG C 36.433 0.00 1 1671 494 152 GLU N N 119.236 0.02 1 1672 495 153 ASP H H 8.047 0.00 1 1673 495 153 ASP HA H 4.600 0.00 1 1674 495 153 ASP HB2 H 2.903 0.01 2 1675 495 153 ASP HB3 H 2.835 0.00 2 1676 495 153 ASP C C 176.281 0.01 1 1677 495 153 ASP CA C 55.291 0.02 1 1678 495 153 ASP CB C 41.895 0.01 1 1679 495 153 ASP N N 119.144 0.02 1 1680 496 154 LEU H H 7.709 0.00 1 1681 496 154 LEU HA H 4.234 0.00 1 1682 496 154 LEU HB2 H 1.713 0.00 2 1683 496 154 LEU HB3 H 1.570 0.00 2 1684 496 154 LEU HG H 1.685 0.00 1 1685 496 154 LEU HD1 H 0.833 0.00 2 1686 496 154 LEU HD2 H 0.633 0.00 2 1687 496 154 LEU C C 177.291 0.01 1 1688 496 154 LEU CA C 54.904 0.03 1 1689 496 154 LEU CB C 42.132 0.03 1 1690 496 154 LEU CG C 26.767 0.00 1 1691 496 154 LEU CD1 C 25.333 0.02 2 1692 496 154 LEU CD2 C 23.234 0.01 2 1693 496 154 LEU N N 120.000 0.03 1 1694 497 155 GLU H H 8.009 0.00 1 1695 497 155 GLU HA H 4.231 0.00 1 1696 497 155 GLU HB2 H 2.023 0.00 2 1697 497 155 GLU HB3 H 1.918 0.00 2 1698 497 155 GLU HG2 H 2.280 0.00 2 1699 497 155 GLU HG3 H 2.221 0.00 2 1700 497 155 GLU C C 176.508 0.01 1 1701 497 155 GLU CA C 56.555 0.11 1 1702 497 155 GLU CB C 30.337 0.00 1 1703 497 155 GLU CG C 36.235 0.03 1 1704 497 155 GLU N N 120.625 0.03 1 1705 498 156 GLU H H 8.397 0.00 1 1706 498 156 GLU HA H 4.230 0.00 1 1707 498 156 GLU HB2 H 2.008 0.00 2 1708 498 156 GLU HB3 H 1.920 0.00 2 1709 498 156 GLU HG2 H 2.273 0.00 2 1710 498 156 GLU HG3 H 2.214 0.00 2 1711 498 156 GLU C C 176.524 0.01 1 1712 498 156 GLU CA C 56.663 0.03 1 1713 498 156 GLU CB C 30.567 0.04 1 1714 498 156 GLU CG C 36.314 0.01 1 1715 498 156 GLU N N 122.258 0.02 1 1716 499 157 GLU H H 8.473 0.00 1 1717 499 157 GLU HA H 4.248 0.02 1 1718 499 157 GLU HB2 H 2.023 0.01 2 1719 499 157 GLU HB3 H 1.938 0.00 2 1720 499 157 GLU HG2 H 2.245 0.00 2 1721 499 157 GLU HG3 H 2.245 0.00 2 1722 499 157 GLU C C 176.543 0.01 1 1723 499 157 GLU CA C 56.657 0.06 1 1724 499 157 GLU CB C 30.154 0.05 1 1725 499 157 GLU CG C 36.298 0.00 1 1726 499 157 GLU N N 122.650 0.02 1 1727 500 158 LYS H H 8.409 0.00 1 1728 500 158 LYS HA H 4.332 0.00 1 1729 500 158 LYS HB2 H 1.865 0.00 2 1730 500 158 LYS HB3 H 1.760 0.00 2 1731 500 158 LYS HG2 H 1.452 0.00 2 1732 500 158 LYS HG3 H 1.416 0.00 2 1733 500 158 LYS HD2 H 2.031 0.00 2 1734 500 158 LYS HD3 H 1.929 0.00 2 1735 500 158 LYS HE2 H 3.229 0.00 2 1736 500 158 LYS C C 177.156 0.00 1 1737 500 158 LYS CA C 56.382 0.06 1 1738 500 158 LYS CB C 33.107 0.03 1 1739 500 158 LYS CG C 24.718 0.02 1 1740 500 158 LYS CD C 29.016 0.03 1 1741 500 158 LYS N N 123.036 0.01 1 1742 501 159 GLY H H 8.420 0.00 1 1743 501 159 GLY HA2 H 4.013 0.00 2 1744 501 159 GLY HA3 H 3.912 0.00 2 1745 501 159 GLY C C 174.137 0.01 1 1746 501 159 GLY CA C 45.266 0.02 1 1747 501 159 GLY N N 109.823 0.01 1 1748 502 160 GLU H H 8.373 0.00 1 1749 502 160 GLU HA H 4.354 0.00 1 1750 502 160 GLU HB2 H 2.059 0.00 2 1751 502 160 GLU HB3 H 1.937 0.00 2 1752 502 160 GLU C C 176.916 0.00 1 1753 502 160 GLU CA C 56.594 0.02 1 1754 502 160 GLU CB C 30.485 0.01 1 1755 502 160 GLU CG C 36.252 0.00 1 1756 502 160 GLU N N 120.770 0.01 1 1757 503 161 THR H H 8.280 0.00 1 1758 503 161 THR HA H 4.298 0.01 1 1759 503 161 THR HB H 4.188 0.01 1 1760 503 161 THR HG2 H 1.200 0.00 1 1761 503 161 THR C C 174.466 0.00 1 1762 503 161 THR CA C 62.257 0.06 1 1763 503 161 THR CB C 69.720 0.08 1 1764 503 161 THR CG2 C 21.703 0.02 1 1765 503 161 THR N N 115.888 0.04 1 1766 504 162 GLN H H 8.432 0.00 1 1767 504 162 GLN HA H 4.376 0.00 1 1768 504 162 GLN HB2 H 2.080 0.00 2 1769 504 162 GLN HB3 H 1.972 0.00 2 1770 504 162 GLN HG2 H 2.346 0.00 2 1771 504 162 GLN HG3 H 2.346 0.00 2 1772 504 162 GLN C C 175.811 0.01 1 1773 504 162 GLN CA C 55.797 0.01 1 1774 504 162 GLN CB C 29.560 0.00 1 1775 504 162 GLN CG C 33.852 0.00 1 1776 504 162 GLN N N 123.456 0.02 1 1777 505 163 VAL H H 8.237 0.00 1 1778 505 163 VAL HA H 4.061 0.00 1 1779 505 163 VAL HB H 2.039 0.00 1 1780 505 163 VAL HG1 H 0.933 0.00 2 1781 505 163 VAL HG2 H 0.933 0.00 2 1782 505 163 VAL C C 176.007 0.00 1 1783 505 163 VAL CA C 62.495 0.01 1 1784 505 163 VAL CB C 32.673 0.02 1 1785 505 163 VAL CG1 C 20.873 0.11 2 1786 505 163 VAL CG2 C 21.126 0.00 2 1787 505 163 VAL N N 122.470 0.03 1 1788 506 164 LYS H H 8.407 0.00 1 1789 506 164 LYS HA H 4.340 0.00 1 1790 506 164 LYS HB2 H 1.813 0.00 2 1791 506 164 LYS HB3 H 1.735 0.00 2 1792 506 164 LYS HG2 H 1.419 0.00 2 1793 506 164 LYS HG3 H 1.419 0.00 2 1794 506 164 LYS HD2 H 2.035 0.00 2 1795 506 164 LYS HD3 H 2.035 0.00 2 1796 506 164 LYS C C 176.412 0.01 1 1797 506 164 LYS CA C 56.151 0.00 1 1798 506 164 LYS CB C 33.234 0.02 1 1799 506 164 LYS CG C 24.647 0.00 1 1800 506 164 LYS CD C 29.079 0.00 1 1801 506 164 LYS CE C 42.157 0.00 1 1802 506 164 LYS N N 125.955 0.01 1 1803 507 165 GLU H H 8.515 0.00 1 1804 507 165 GLU HA H 4.244 0.00 1 1805 507 165 GLU HB2 H 2.050 0.00 2 1806 507 165 GLU HB3 H 1.921 0.00 2 1807 507 165 GLU HG2 H 2.277 0.00 2 1808 507 165 GLU HG3 H 2.277 0.00 2 1809 507 165 GLU C C 176.195 0.00 1 1810 507 165 GLU CA C 56.582 0.03 1 1811 507 165 GLU CB C 30.343 0.00 1 1812 507 165 GLU CG C 36.311 0.00 1 1813 507 165 GLU N N 123.050 0.02 1 1814 508 166 ALA H H 8.352 0.00 1 1815 508 166 ALA HA H 4.299 0.00 1 1816 508 166 ALA HB H 1.396 0.00 1 1817 508 166 ALA C C 177.745 0.01 1 1818 508 166 ALA CA C 52.552 0.02 1 1819 508 166 ALA CB C 19.485 0.00 1 1820 508 166 ALA N N 124.970 0.01 1 1821 509 167 GLU H H 8.436 0.00 1 1822 509 167 GLU HA H 4.276 0.00 1 1823 509 167 GLU HB2 H 2.061 0.00 2 1824 509 167 GLU HB3 H 1.932 0.00 2 1825 509 167 GLU HG2 H 2.270 0.00 2 1826 509 167 GLU HG3 H 2.270 0.00 2 1827 509 167 GLU C C 176.367 0.00 1 1828 509 167 GLU CA C 56.598 0.02 1 1829 509 167 GLU CB C 30.477 0.01 1 1830 509 167 GLU CG C 36.357 0.00 1 1831 509 167 GLU N N 120.352 0.02 1 1832 510 168 ASP H H 8.404 0.00 1 1833 510 168 ASP HA H 4.642 0.00 1 1834 510 168 ASP HB2 H 2.726 0.00 2 1835 510 168 ASP HB3 H 2.642 0.00 2 1836 510 168 ASP C C 176.416 0.02 1 1837 510 168 ASP CA C 54.345 0.01 1 1838 510 168 ASP CB C 41.247 0.01 1 1839 510 168 ASP N N 121.470 0.02 1 1840 511 169 SER H H 8.284 0.00 1 1841 511 169 SER HA H 4.426 0.00 1 1842 511 169 SER HB2 H 3.928 0.00 2 1843 511 169 SER HB3 H 3.854 0.00 2 1844 511 169 SER C C 174.576 0.06 1 1845 511 169 SER CA C 58.653 0.03 1 1846 511 169 SER CB C 64.016 0.03 1 1847 511 169 SER N N 116.245 0.01 1 1848 512 170 ASP H H 8.378 0.00 1 1849 512 170 ASP HA H 4.684 0.00 1 1850 512 170 ASP HB2 H 2.732 0.00 2 1851 512 170 ASP HB3 H 2.670 0.00 2 1852 512 170 ASP C C 176.427 0.03 1 1853 512 170 ASP CA C 54.841 0.01 1 1854 512 170 ASP CB C 41.205 0.00 1 1855 512 170 ASP N N 122.590 0.03 1 1856 513 171 SER H H 8.160 0.00 1 1857 513 171 SER HA H 4.434 0.00 1 1858 513 171 SER HB2 H 3.914 0.00 2 1859 513 171 SER HB3 H 3.854 0.00 2 1860 513 171 SER C C 174.535 0.00 1 1861 513 171 SER CA C 58.708 0.00 1 1862 513 171 SER CB C 64.007 0.00 1 1863 513 171 SER N N 115.664 0.00 1 1864 514 172 ASP H H 8.435 0.00 1 1865 514 172 ASP HA H 4.607 0.00 1 1866 514 172 ASP HB2 H 2.729 0.00 2 1867 514 172 ASP HB3 H 2.666 0.00 2 1868 514 172 ASP C C 176.425 0.02 1 1869 514 172 ASP CA C 54.854 0.00 1 1870 514 172 ASP CB C 41.236 0.01 1 1871 514 172 ASP N N 122.496 0.05 1 1872 515 173 ASP H H 8.289 0.00 1 1873 515 173 ASP HA H 4.519 0.00 1 1874 515 173 ASP HB2 H 2.683 0.00 2 1875 515 173 ASP HB3 H 2.650 0.00 2 1876 515 173 ASP C C 176.608 0.00 1 1877 515 173 ASP CA C 55.115 0.07 1 1878 515 173 ASP CB C 41.111 0.01 1 1879 515 173 ASP N N 120.582 0.01 1 1880 516 174 ASN H H 8.333 0.00 1 1881 516 174 ASN HA H 4.596 0.00 1 1882 516 174 ASN HB2 H 2.820 0.00 2 1883 516 174 ASN HB3 H 2.820 0.00 2 1884 516 174 ASN C C 176.033 0.00 1 1885 516 174 ASN CA C 54.318 0.02 1 1886 516 174 ASN CB C 38.755 0.00 1 1887 516 174 ASN N N 118.184 0.00 1 1888 517 175 ILE H H 7.960 0.00 1 1889 517 175 ILE HA H 4.065 0.00 1 1890 517 175 ILE HB H 1.931 0.00 1 1891 517 175 ILE HG12 H 1.489 0.00 2 1892 517 175 ILE HG13 H 1.206 0.00 2 1893 517 175 ILE HG2 H 0.884 0.00 1 1894 517 175 ILE C C 176.868 0.00 1 1895 517 175 ILE CA C 62.098 0.01 1 1896 517 175 ILE CB C 38.250 0.01 1 1897 517 175 ILE CG1 C 27.741 0.03 1 1898 517 175 ILE CG2 C 17.617 0.03 1 1899 517 175 ILE CD1 C 12.977 0.00 1 1900 517 175 ILE N N 120.486 0.00 1 1901 518 176 LYS H H 8.223 0.00 1 1902 518 176 LYS HA H 4.254 0.00 1 1903 518 176 LYS HB2 H 1.842 0.00 2 1904 518 176 LYS HB3 H 1.798 0.00 2 1905 518 176 LYS HG2 H 1.480 0.00 2 1906 518 176 LYS HG3 H 1.387 0.00 2 1907 518 176 LYS C C 176.926 0.01 1 1908 518 176 LYS CA C 56.919 0.02 1 1909 518 176 LYS CB C 32.617 0.01 1 1910 518 176 LYS CG C 25.090 0.02 1 1911 518 176 LYS CD C 29.221 0.00 1 1912 518 176 LYS CE C 40.963 0.00 1 1913 518 176 LYS N N 123.550 0.02 1 1914 519 177 ARG H H 8.164 0.00 1 1915 519 177 ARG HA H 4.312 0.00 1 1916 519 177 ARG HB2 H 1.877 0.00 2 1917 519 177 ARG HB3 H 1.780 0.01 2 1918 519 177 ARG HG2 H 1.673 0.00 2 1919 519 177 ARG HG3 H 1.623 0.00 2 1920 519 177 ARG HD2 H 3.202 0.00 2 1921 519 177 ARG HD3 H 3.202 0.00 2 1922 519 177 ARG C C 176.935 0.01 1 1923 519 177 ARG CA C 56.599 0.04 1 1924 519 177 ARG CB C 30.843 0.00 1 1925 519 177 ARG CG C 27.427 0.00 1 1926 519 177 ARG CD C 43.438 0.00 1 1927 519 177 ARG N N 121.051 0.01 1 1928 520 178 GLY H H 8.270 0.00 1 1929 520 178 GLY HA2 H 3.956 0.00 2 1930 520 178 GLY HA3 H 3.956 0.00 2 1931 520 178 GLY C C 174.129 0.00 1 1932 520 178 GLY CA C 45.410 0.01 1 1933 520 178 GLY N N 109.254 0.00 1 1934 521 179 LYS H H 8.150 0.00 1 1935 521 179 LYS HA H 4.281 0.00 1 1936 521 179 LYS HB2 H 1.764 0.00 2 1937 521 179 LYS HB3 H 1.704 0.00 2 1938 521 179 LYS C C 176.510 0.01 1 1939 521 179 LYS CA C 56.434 0.01 1 1940 521 179 LYS CB C 33.020 0.00 1 1941 521 179 LYS CG C 24.712 0.00 1 1942 521 179 LYS CD C 28.866 0.00 1 1943 521 179 LYS CE C 38.833 0.00 1 1944 521 179 LYS N N 120.661 0.02 1 1945 522 180 HIS H H 8.413 0.01 1 1946 522 180 HIS HA H 4.586 0.00 1 1947 522 180 HIS HB2 H 3.166 0.00 2 1948 522 180 HIS HB3 H 3.127 0.00 2 1949 522 180 HIS HD2 H 7.094 0.02 1 1950 522 180 HIS C C 175.282 0.03 1 1951 522 180 HIS CA C 56.435 0.06 1 1952 522 180 HIS CB C 30.110 0.14 1 1953 522 180 HIS CD2 C 119.982 0.00 1 1954 522 180 HIS N N 120.115 0.04 1 1955 523 181 MET H H 8.210 0.00 1 1956 523 181 MET C C 175.692 0.01 1 1957 523 181 MET CA C 55.550 0.01 1 1958 523 181 MET CB C 32.806 0.01 1 1959 523 181 MET N N 121.295 0.02 1 1960 524 182 ASP H H 8.344 0.00 1 1961 524 182 ASP HA H 4.533 0.00 1 1962 524 182 ASP HB2 H 2.605 0.00 2 1963 524 182 ASP HB3 H 2.527 0.00 2 1964 524 182 ASP C C 175.904 0.00 1 1965 524 182 ASP CA C 54.586 0.00 1 1966 524 182 ASP CB C 41.175 0.00 1 1967 524 182 ASP N N 121.169 0.01 1 1968 525 183 PHE H H 8.066 0.00 1 1969 525 183 PHE HA H 4.587 0.01 1 1970 525 183 PHE HB2 H 3.160 0.00 2 1971 525 183 PHE HB3 H 3.048 0.00 2 1972 525 183 PHE HD1 H 7.238 0.00 3 1973 525 183 PHE HD2 H 7.238 0.00 3 1974 525 183 PHE C C 175.705 0.01 1 1975 525 183 PHE CA C 57.966 0.04 1 1976 525 183 PHE CB C 39.449 0.00 1 1977 525 183 PHE CD1 C 131.875 0.11 3 1978 525 183 PHE N N 119.615 0.02 1 1979 526 184 LEU H H 8.069 0.00 1 1980 526 184 LEU HA H 4.369 0.00 1 1981 526 184 LEU HB2 H 1.644 0.00 2 1982 526 184 LEU HB3 H 1.553 0.00 2 1983 526 184 LEU HG H 1.563 0.00 1 1984 526 184 LEU HD1 H 0.890 0.00 2 1985 526 184 LEU HD2 H 0.839 0.00 2 1986 526 184 LEU C C 177.344 0.00 1 1987 526 184 LEU CA C 55.334 0.03 1 1988 526 184 LEU CB C 42.723 0.00 1 1989 526 184 LEU CG C 26.970 0.04 1 1990 526 184 LEU CD1 C 25.218 0.04 2 1991 526 184 LEU CD2 C 23.646 0.00 2 1992 526 184 LEU N N 122.781 0.02 1 1993 527 185 SER H H 8.377 0.00 1 1994 527 185 SER HA H 4.424 0.00 1 1995 527 185 SER HB2 H 4.100 0.00 2 1996 527 185 SER HB3 H 3.952 0.00 2 1997 527 185 SER C C 174.750 0.01 1 1998 527 185 SER CA C 58.504 0.01 1 1999 527 185 SER CB C 64.378 0.02 1 2000 527 185 SER N N 116.561 0.01 1 2001 528 186 ASP H H 8.497 0.00 1 2002 528 186 ASP HA H 4.483 0.00 1 2003 528 186 ASP HB2 H 2.668 0.00 2 2004 528 186 ASP HB3 H 2.668 0.00 2 2005 528 186 ASP C C 177.646 0.01 1 2006 528 186 ASP CA C 56.335 0.01 1 2007 528 186 ASP CB C 40.666 0.01 1 2008 528 186 ASP N N 122.054 0.02 1 2009 529 187 PHE H H 8.285 0.00 1 2010 529 187 PHE HA H 4.349 0.00 1 2011 529 187 PHE HB2 H 3.186 0.00 2 2012 529 187 PHE HB3 H 3.056 0.00 2 2013 529 187 PHE HD1 H 7.231 0.00 3 2014 529 187 PHE HD2 H 7.231 0.00 3 2015 529 187 PHE C C 177.083 0.00 1 2016 529 187 PHE CA C 60.463 0.02 1 2017 529 187 PHE CB C 39.386 0.01 1 2018 529 187 PHE CD1 C 131.852 0.00 3 2019 529 187 PHE N N 120.861 0.01 1 2020 530 188 GLU H H 8.108 0.00 1 2021 530 188 GLU HA H 3.947 0.00 1 2022 530 188 GLU HB2 H 2.132 0.00 2 2023 530 188 GLU HB3 H 2.054 0.00 2 2024 530 188 GLU HG2 H 2.353 0.00 2 2025 530 188 GLU HG3 H 2.296 0.00 2 2026 530 188 GLU C C 178.829 0.01 1 2027 530 188 GLU CA C 58.876 0.01 1 2028 530 188 GLU CB C 29.847 0.02 1 2029 530 188 GLU CG C 36.931 0.02 1 2030 530 188 GLU N N 119.548 0.01 1 2031 531 189 MET H H 8.261 0.00 1 2032 531 189 MET HA H 4.181 0.00 1 2033 531 189 MET HB2 H 2.630 0.01 2 2034 531 189 MET HB3 H 2.503 0.00 2 2035 531 189 MET HG2 H 2.134 0.00 2 2036 531 189 MET HG3 H 2.093 0.00 2 2037 531 189 MET HE H 2.080 0.00 1 2038 531 189 MET C C 178.177 0.01 1 2039 531 189 MET CA C 57.763 0.02 1 2040 531 189 MET CB C 32.281 0.04 1 2041 531 189 MET CG C 32.291 0.03 1 2042 531 189 MET CE C 17.165 0.00 1 2043 531 189 MET N N 119.255 0.01 1 2044 532 190 MET H H 8.044 0.00 1 2045 532 190 MET HA H 4.183 0.00 1 2046 532 190 MET HB2 H 2.660 0.00 2 2047 532 190 MET HB3 H 2.505 0.00 2 2048 532 190 MET HG2 H 2.128 0.00 2 2049 532 190 MET HG3 H 2.128 0.00 2 2050 532 190 MET HE H 2.021 0.00 1 2051 532 190 MET C C 178.210 0.01 1 2052 532 190 MET CA C 57.823 0.02 1 2053 532 190 MET CB C 31.773 0.03 1 2054 532 190 MET CG C 31.938 0.16 1 2055 532 190 MET CE C 17.064 0.02 1 2056 532 190 MET N N 119.979 0.04 1 2057 533 191 LEU H H 7.903 0.00 1 2058 533 191 LEU HA H 4.039 0.00 1 2059 533 191 LEU HB2 H 1.670 0.00 2 2060 533 191 LEU HB3 H 1.499 0.00 2 2061 533 191 LEU HG H 1.496 0.00 1 2062 533 191 LEU HD1 H 0.828 0.00 2 2063 533 191 LEU HD2 H 0.784 0.00 2 2064 533 191 LEU C C 178.970 0.01 1 2065 533 191 LEU CA C 57.043 0.01 1 2066 533 191 LEU CB C 41.878 0.00 1 2067 533 191 LEU CG C 26.631 0.04 1 2068 533 191 LEU CD1 C 25.207 0.11 2 2069 533 191 LEU CD2 C 23.395 0.03 2 2070 533 191 LEU N N 120.771 0.01 1 2071 534 192 GLN H H 7.972 0.00 1 2072 534 192 GLN HA H 4.117 0.00 1 2073 534 192 GLN HB2 H 2.170 0.00 2 2074 534 192 GLN HB3 H 2.086 0.00 2 2075 534 192 GLN HG2 H 2.469 0.00 2 2076 534 192 GLN HG3 H 2.401 0.00 2 2077 534 192 GLN C C 177.625 0.01 1 2078 534 192 GLN CA C 57.531 0.02 1 2079 534 192 GLN CB C 28.607 0.02 1 2080 534 192 GLN CG C 33.821 0.03 1 2081 534 192 GLN N N 118.496 0.01 1 2082 535 193 ARG H H 8.030 0.00 1 2083 535 193 ARG HA H 4.188 0.00 1 2084 535 193 ARG HB2 H 1.893 0.00 2 2085 535 193 ARG HB3 H 1.893 0.00 2 2086 535 193 ARG HG2 H 1.750 0.00 2 2087 535 193 ARG HG3 H 1.625 0.00 2 2088 535 193 ARG HD2 H 3.188 0.00 2 2089 535 193 ARG HD3 H 3.188 0.00 2 2090 535 193 ARG C C 177.585 0.01 1 2091 535 193 ARG CA C 57.786 0.03 1 2092 535 193 ARG CB C 30.352 0.01 1 2093 535 193 ARG CG C 27.423 0.17 1 2094 535 193 ARG CD C 43.586 0.00 1 2095 535 193 ARG N N 120.244 0.02 1 2096 536 194 LYS H H 8.049 0.00 1 2097 536 194 LYS HA H 4.193 0.00 1 2098 536 194 LYS HB2 H 1.890 0.01 2 2099 536 194 LYS HB3 H 1.839 0.00 2 2100 536 194 LYS HG2 H 1.521 0.00 2 2101 536 194 LYS HG3 H 1.431 0.00 2 2102 536 194 LYS C C 177.721 0.02 1 2103 536 194 LYS CA C 57.754 0.05 1 2104 536 194 LYS CB C 32.746 0.02 1 2105 536 194 LYS CG C 25.109 0.00 1 2106 536 194 LYS CD C 29.345 0.00 1 2107 536 194 LYS N N 120.374 0.04 1 2108 537 195 LYS H H 8.109 0.00 1 2109 537 195 LYS HA H 4.238 0.00 1 2110 537 195 LYS HB2 H 1.875 0.01 2 2111 537 195 LYS HB3 H 1.828 0.00 2 2112 537 195 LYS HG2 H 1.435 0.00 2 2113 537 195 LYS HG3 H 1.435 0.00 2 2114 537 195 LYS C C 177.481 0.01 1 2115 537 195 LYS CA C 57.514 0.02 1 2116 537 195 LYS CB C 32.859 0.05 1 2117 537 195 LYS CG C 25.015 0.00 1 2118 537 195 LYS N N 120.776 0.02 1 2119 538 196 SER H H 8.166 0.00 1 2120 538 196 SER HA H 4.415 0.00 1 2121 538 196 SER HB2 H 3.928 0.00 2 2122 538 196 SER HB3 H 3.928 0.00 2 2123 538 196 SER C C 175.124 0.00 1 2124 538 196 SER CA C 59.136 0.00 1 2125 538 196 SER CB C 63.735 0.00 1 2126 538 196 SER N N 115.707 0.02 1 2127 539 197 MET H H 8.237 0.00 1 2128 539 197 MET HA H 4.533 0.00 1 2129 539 197 MET HB2 H 2.168 0.00 2 2130 539 197 MET HB3 H 2.056 0.00 2 2131 539 197 MET HG2 H 2.673 0.00 2 2132 539 197 MET HG3 H 2.571 0.00 2 2133 539 197 MET C C 176.633 0.00 1 2134 539 197 MET CA C 55.866 0.01 1 2135 539 197 MET CB C 32.761 0.03 1 2136 539 197 MET CG C 32.101 0.03 1 2137 539 197 MET N N 121.584 0.02 1 2138 540 198 SER H H 8.187 0.00 1 2139 540 198 SER HA H 4.432 0.00 1 2140 540 198 SER HB2 H 3.914 0.00 2 2141 540 198 SER HB3 H 3.914 0.00 2 2142 540 198 SER C C 175.249 0.00 1 2143 540 198 SER CA C 58.828 0.01 1 2144 540 198 SER CB C 63.888 0.03 1 2145 540 198 SER N N 116.150 0.02 1 2146 541 199 GLY H H 8.407 0.00 1 2147 541 199 GLY HA2 H 3.984 0.00 2 2148 541 199 GLY HA3 H 3.984 0.00 2 2149 541 199 GLY C C 174.258 0.00 1 2150 541 199 GLY CA C 45.515 0.02 1 2151 541 199 GLY N N 110.817 0.01 1 2152 542 200 LYS H H 8.099 0.00 1 2153 542 200 LYS HA H 4.281 0.00 1 2154 542 200 LYS HB2 H 1.853 0.00 2 2155 542 200 LYS HB3 H 1.765 0.00 2 2156 542 200 LYS C C 176.718 0.01 1 2157 542 200 LYS CA C 56.450 0.02 1 2158 542 200 LYS CB C 33.056 0.00 1 2159 542 200 LYS CG C 24.775 0.00 1 2160 542 200 LYS CD C 29.077 0.00 1 2161 542 200 LYS CE C 42.241 0.00 1 2162 542 200 LYS N N 120.719 0.01 1 2163 543 201 ARG H H 8.311 0.00 1 2164 543 201 ARG HA H 4.328 0.00 1 2165 543 201 ARG HB2 H 1.853 0.00 2 2166 543 201 ARG HB3 H 1.778 0.00 2 2167 543 201 ARG C C 176.270 0.02 1 2168 543 201 ARG CB C 30.821 0.01 1 2169 543 201 ARG CG C 27.250 0.00 1 2170 543 201 ARG CD C 43.417 0.00 1 2171 543 201 ARG N N 121.868 0.02 1 2172 544 202 ARG H H 8.383 0.00 1 2173 544 202 ARG HA H 4.328 0.00 1 2174 544 202 ARG HB2 H 1.854 0.00 2 2175 544 202 ARG HB3 H 1.774 0.00 2 2176 544 202 ARG C C 176.223 0.00 1 2177 544 202 ARG CA C 56.206 0.00 1 2178 544 202 ARG CB C 30.892 0.01 1 2179 544 202 ARG CG C 27.227 0.00 1 2180 544 202 ARG CD C 43.446 0.00 1 2181 544 202 ARG N N 122.702 0.02 1 2182 545 203 ARG H H 8.440 0.00 1 2183 545 203 ARG HA H 4.333 0.00 1 2184 545 203 ARG HB2 H 1.857 0.00 2 2185 545 203 ARG HB3 H 1.767 0.00 2 2186 545 203 ARG C C 175.997 0.00 1 2187 545 203 ARG CA C 56.167 0.01 1 2188 545 203 ARG CB C 30.948 0.02 1 2189 545 203 ARG CG C 27.195 0.00 1 2190 545 203 ARG CD C 43.416 0.00 1 2191 545 203 ARG N N 122.400 0.01 1 2192 546 204 ASN H H 8.521 0.00 1 2193 546 204 ASN HA H 4.670 0.00 1 2194 546 204 ASN HB2 H 2.844 0.00 2 2195 546 204 ASN HB3 H 2.773 0.00 2 2196 546 204 ASN C C 174.883 0.00 1 2197 546 204 ASN CA C 53.585 0.03 1 2198 546 204 ASN CB C 38.979 0.00 1 2199 546 204 ASN N N 120.069 0.01 1 2200 547 205 ARG H H 8.268 0.00 1 2201 547 205 ARG HA H 4.376 0.00 1 2202 547 205 ARG HB2 H 1.913 0.00 2 2203 547 205 ARG HB3 H 1.750 0.00 2 2204 547 205 ARG HG2 H 1.619 0.00 2 2205 547 205 ARG HG3 H 1.619 0.00 2 2206 547 205 ARG C C 174.981 0.01 1 2207 547 205 ARG CA C 56.027 0.05 1 2208 547 205 ARG CB C 30.989 0.00 1 2209 547 205 ARG CG C 26.867 0.00 1 2210 547 205 ARG CD C 43.422 0.00 1 2211 547 205 ARG N N 121.017 0.01 1 2212 548 206 ASP H H 8.003 0.00 1 2213 548 206 ASP HA H 4.372 0.00 1 2214 548 206 ASP HB2 H 2.677 0.00 2 2215 548 206 ASP HB3 H 2.558 0.00 2 2216 548 206 ASP C C 180.911 0.00 1 2217 548 206 ASP CA C 56.024 0.00 1 2218 548 206 ASP CB C 42.214 0.00 1 2219 548 206 ASP N N 126.822 0.01 1 stop_ save_