data_25833 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; p75NTR DD:RIP2 CARD ; _BMRB_accession_number 25833 _BMRB_flat_file_name bmr25833.str _Entry_type original _Submission_date 2015-10-02 _Accession_date 2015-10-02 _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 Lin Zhi . . 2 Ibanez Carlos F. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1159 "13C chemical shifts" 675 "15N chemical shifts" 225 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-21 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 25828 'RIP2 CARD' 25829 'p75NTR DD:RhoGDI' stop_ _Original_release_date 2015-12-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structural basis of death domain signaling in the p75 neurotrophin receptor ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 26646181 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lin Zhi . . 2 Tann Jason Y. . 3 Goh Eddy TH . 4 Kelly Claire . . 5 Lim Kim B. . 6 Gao Jian F. . 7 Ibanez Carlos F. . stop_ _Journal_abbreviation Elife _Journal_volume 4 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11692 _Page_last 11692 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'p75NTR DD:RIP2 CARD' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 entity_2 $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 10172.424 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 98 _Mol_residue_sequence ; KGDGGLYSSLPPAKREEVEK LLNGSAGDTWRHLAGELGYQ PEHIDSFTHEACPVRALLAS WATQDSATLDALLAALRRIQ RADLVESLCSESTATSPV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 330 LYS 2 331 GLY 3 332 ASP 4 333 GLY 5 334 GLY 6 335 LEU 7 336 TYR 8 337 SER 9 338 SER 10 339 LEU 11 340 PRO 12 341 PRO 13 342 ALA 14 343 LYS 15 344 ARG 16 345 GLU 17 346 GLU 18 347 VAL 19 348 GLU 20 349 LYS 21 350 LEU 22 351 LEU 23 352 ASN 24 353 GLY 25 354 SER 26 355 ALA 27 356 GLY 28 357 ASP 29 358 THR 30 359 TRP 31 360 ARG 32 361 HIS 33 362 LEU 34 363 ALA 35 364 GLY 36 365 GLU 37 366 LEU 38 367 GLY 39 368 TYR 40 369 GLN 41 370 PRO 42 371 GLU 43 372 HIS 44 373 ILE 45 374 ASP 46 375 SER 47 376 PHE 48 377 THR 49 378 HIS 50 379 GLU 51 380 ALA 52 381 CYS 53 382 PRO 54 383 VAL 55 384 ARG 56 385 ALA 57 386 LEU 58 387 LEU 59 388 ALA 60 389 SER 61 390 TRP 62 391 ALA 63 392 THR 64 393 GLN 65 394 ASP 66 395 SER 67 396 ALA 68 397 THR 69 398 LEU 70 399 ASP 71 400 ALA 72 401 LEU 73 402 LEU 74 403 ALA 75 404 ALA 76 405 LEU 77 406 ARG 78 407 ARG 79 408 ILE 80 409 GLN 81 410 ARG 82 411 ALA 83 412 ASP 84 413 LEU 85 414 VAL 86 415 GLU 87 416 SER 88 417 LEU 89 418 CYS 90 419 SER 91 420 GLU 92 421 SER 93 422 THR 94 423 ALA 95 424 THR 96 425 SER 97 426 PRO 98 427 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_2 _Molecular_mass 12059.932 _Mol_thiol_state 'all free' _Details . _Residue_count 106 _Mol_residue_sequence ; GIAQQWIQSKREDIVNQMTE ACLNQSLDALLSRDLIMKED YELVSTKPTRTSKVRQLLDT TDIQGEEFAKVIVQKLKDNK QMGLQPYPEILVVSRSPSLN LLQNKS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 434 GLY 2 435 ILE 3 436 ALA 4 437 GLN 5 438 GLN 6 439 TRP 7 440 ILE 8 441 GLN 9 442 SER 10 443 LYS 11 444 ARG 12 445 GLU 13 446 ASP 14 447 ILE 15 448 VAL 16 449 ASN 17 450 GLN 18 451 MET 19 452 THR 20 453 GLU 21 454 ALA 22 455 CYS 23 456 LEU 24 457 ASN 25 458 GLN 26 459 SER 27 460 LEU 28 461 ASP 29 462 ALA 30 463 LEU 31 464 LEU 32 465 SER 33 466 ARG 34 467 ASP 35 468 LEU 36 469 ILE 37 470 MET 38 471 LYS 39 472 GLU 40 473 ASP 41 474 TYR 42 475 GLU 43 476 LEU 44 477 VAL 45 478 SER 46 479 THR 47 480 LYS 48 481 PRO 49 482 THR 50 483 ARG 51 484 THR 52 485 SER 53 486 LYS 54 487 VAL 55 488 ARG 56 489 GLN 57 490 LEU 58 491 LEU 59 492 ASP 60 493 THR 61 494 THR 62 495 ASP 63 496 ILE 64 497 GLN 65 498 GLY 66 499 GLU 67 500 GLU 68 501 PHE 69 502 ALA 70 503 LYS 71 504 VAL 72 505 ILE 73 506 VAL 74 507 GLN 75 508 LYS 76 509 LEU 77 510 LYS 78 511 ASP 79 512 ASN 80 513 LYS 81 514 GLN 82 515 MET 83 516 GLY 84 517 LEU 85 518 GLN 86 519 PRO 87 520 TYR 88 521 PRO 89 522 GLU 90 523 ILE 91 524 LEU 92 525 VAL 93 526 VAL 94 527 SER 95 528 ARG 96 529 SER 97 530 PRO 98 531 SER 99 532 LEU 100 533 ASN 101 534 LEU 102 535 LEU 103 536 GLN 104 537 ASN 105 538 LYS 106 539 SER 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 $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . Escherichia coli . pET32a-drived $entity_2 'recombinant technology' . Escherichia coli . pET32a-drived 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 $entity_1 0.5 mM '[U-99% 13C; U-99% 15N]' DTT 10 mM '[U-98% 2H]' $entity_2 1 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_2 0.5 mM '[U-99% 13C; U-99% 15N]' $entity_1 1 mM 'natural abundance' DTT 10 mM '[U-98% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Braun and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_13C,15N-filtered_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,15N-filtered NOESY' _Sample_label $sample_1 save_ save_3D_13C,_15N-edited_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C, 15N-edited NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aliphatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_aromatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_2 save_ save_3D_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_13C,15N-filtered_NOESY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C,15N-filtered NOESY' _Sample_label $sample_2 save_ save_4D_13C,_15N-edited_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '4D 13C, 15N-edited NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pressure 1 . atm temperature 273 . 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 external 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' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCACB' '3D CBCA(CO)NH' '3D HCCH-TOCSY' '3D 13C,15N-filtered NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 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 1 330 1 LYS H H 8.407 . 1 2 330 1 LYS HA H 4.310 . 1 3 330 1 LYS HB2 H 1.830 . 2 4 330 1 LYS HB3 H 1.740 . 2 5 330 1 LYS HG2 H 1.429 . 2 6 330 1 LYS HG3 H 1.377 . 2 7 330 1 LYS HD2 H 1.638 . 2 8 330 1 LYS HD3 H 1.638 . 2 9 330 1 LYS HE2 H 2.950 . 2 10 330 1 LYS HE3 H 2.950 . 2 11 330 1 LYS CA C 53.799 . 1 12 330 1 LYS CB C 30.054 . 1 13 330 1 LYS CG C 21.967 . 1 14 330 1 LYS CD C 26.302 . 1 15 330 1 LYS CE C 39.421 . 1 16 330 1 LYS N N 122.586 . 1 17 331 2 GLY H H 8.346 . 1 18 331 2 GLY HA2 H 3.935 . 2 19 331 2 GLY CA C 42.630 . 1 20 331 2 GLY N N 109.106 . 1 21 332 3 ASP H H 8.198 . 1 22 332 3 ASP HA H 4.586 . 1 23 332 3 ASP HB2 H 2.696 . 2 24 332 3 ASP HB3 H 2.696 . 2 25 332 3 ASP CA C 51.533 . 1 26 332 3 ASP CB C 38.524 . 1 27 332 3 ASP N N 120.141 . 1 28 333 4 GLY H H 8.440 . 1 29 333 4 GLY HA2 H 3.926 . 2 30 333 4 GLY HA3 H 3.926 . 2 31 333 4 GLY CA C 42.861 . 1 32 333 4 GLY N N 108.898 . 1 33 334 5 GLY H H 8.333 . 1 34 334 5 GLY CA C 42.191 . 1 35 334 5 GLY N N 108.104 . 1 36 335 6 LEU H H 8.187 . 1 37 335 6 LEU HA H 4.178 . 1 38 335 6 LEU HB2 H 1.789 . 2 39 335 6 LEU HB3 H 1.584 . 2 40 335 6 LEU HG H 1.636 . 1 41 335 6 LEU HD1 H 0.827 . 2 42 335 6 LEU HD2 H 0.715 . 2 43 335 6 LEU CA C 52.831 . 1 44 335 6 LEU CB C 38.776 . 1 45 335 6 LEU CG C 24.230 . 1 46 335 6 LEU CD1 C 22.330 . 1 47 335 6 LEU CD2 C 20.030 . 1 48 335 6 LEU N N 120.540 . 1 49 336 7 TYR H H 8.974 . 1 50 336 7 TYR HA H 4.010 . 1 51 336 7 TYR HB2 H 2.770 . 2 52 336 7 TYR HB3 H 2.980 . 2 53 336 7 TYR HD1 H 6.868 . 3 54 336 7 TYR HE1 H 6.616 . 3 55 336 7 TYR CA C 59.260 . 1 56 336 7 TYR CB C 36.608 . 1 57 336 7 TYR CD1 C 130.230 . 3 58 336 7 TYR CE1 C 114.860 . 3 59 336 7 TYR N N 127.100 . 1 60 337 8 SER H H 9.270 . 1 61 337 8 SER HA H 3.922 . 1 62 337 8 SER HB2 H 3.950 . 2 63 337 8 SER HB3 H 3.840 . 2 64 337 8 SER CA C 57.134 . 1 65 337 8 SER CB C 60.143 . 1 66 337 8 SER N N 111.500 . 1 67 338 9 SER H H 7.462 . 1 68 338 9 SER HA H 4.452 . 1 69 338 9 SER HB2 H 3.923 . 2 70 338 9 SER HB3 H 3.923 . 2 71 338 9 SER CA C 55.951 . 1 72 338 9 SER CB C 61.487 . 1 73 338 9 SER N N 115.808 . 1 74 339 10 LEU H H 7.511 . 1 75 339 10 LEU HA H 4.363 . 1 76 339 10 LEU HB2 H 1.510 . 2 77 339 10 LEU HB3 H 1.120 . 2 78 339 10 LEU HG H 1.840 . 1 79 339 10 LEU HD1 H 0.718 . 2 80 339 10 LEU HD2 H 0.865 . 2 81 339 10 LEU CA C 50.740 . 1 82 339 10 LEU CB C 38.894 . 1 83 339 10 LEU CG C 24.130 . 1 84 339 10 LEU CD1 C 23.740 . 1 85 339 10 LEU CD2 C 20.480 . 1 86 339 10 LEU N N 123.827 . 1 87 341 12 PRO HA H 3.955 . 1 88 341 12 PRO HB2 H 1.965 . 2 89 341 12 PRO HB3 H 2.318 . 2 90 341 12 PRO HG2 H 2.154 . 2 91 341 12 PRO HG3 H 2.010 . 2 92 341 12 PRO HD2 H 3.830 . 2 93 341 12 PRO HD3 H 3.830 . 2 94 341 12 PRO CA C 63.167 . 1 95 341 12 PRO CB C 29.037 . 1 96 341 12 PRO CG C 24.672 . 1 97 341 12 PRO CD C 47.862 . 1 98 342 13 ALA H H 8.626 . 1 99 342 13 ALA HA H 4.111 . 1 100 342 13 ALA HB H 1.361 . 1 101 342 13 ALA CA C 52.390 . 1 102 342 13 ALA CB C 15.700 . 1 103 342 13 ALA N N 117.530 . 1 104 343 14 LYS H H 7.258 . 1 105 343 14 LYS HA H 4.266 . 1 106 343 14 LYS HB2 H 1.880 . 2 107 343 14 LYS HB3 H 1.880 . 2 108 343 14 LYS HG2 H 1.410 . 2 109 343 14 LYS HG3 H 1.550 . 2 110 343 14 LYS HD2 H 1.745 . 2 111 343 14 LYS HD3 H 1.745 . 2 112 343 14 LYS HE2 H 2.838 . 2 113 343 14 LYS HE3 H 2.933 . 2 114 343 14 LYS CA C 54.236 . 1 115 343 14 LYS CB C 28.892 . 1 116 343 14 LYS CG C 21.830 . 1 117 343 14 LYS CD C 25.230 . 1 118 343 14 LYS CE C 39.130 . 1 119 343 14 LYS N N 117.312 . 1 120 344 15 ARG H H 7.411 . 1 121 344 15 ARG HA H 3.825 . 1 122 344 15 ARG HB2 H 1.877 . 2 123 344 15 ARG HB3 H 1.659 . 2 124 344 15 ARG HG2 H 1.271 . 2 125 344 15 ARG HG3 H 0.981 . 2 126 344 15 ARG HD2 H 2.858 . 2 127 344 15 ARG HD3 H 3.000 . 2 128 344 15 ARG CA C 57.636 . 1 129 344 15 ARG CB C 27.373 . 1 130 344 15 ARG CG C 26.807 . 1 131 344 15 ARG CD C 40.600 . 1 132 344 15 ARG N N 118.684 . 1 133 345 16 GLU H H 8.294 . 1 134 345 16 GLU HA H 3.920 . 1 135 345 16 GLU HB2 H 1.970 . 2 136 345 16 GLU HB3 H 2.020 . 2 137 345 16 GLU HG2 H 2.190 . 2 138 345 16 GLU HG3 H 2.310 . 2 139 345 16 GLU CA C 56.484 . 1 140 345 16 GLU CB C 26.342 . 1 141 345 16 GLU CG C 33.390 . 1 142 345 16 GLU N N 117.953 . 1 143 346 17 GLU H H 7.429 . 1 144 346 17 GLU HA H 3.977 . 1 145 346 17 GLU HB2 H 2.211 . 2 146 346 17 GLU HB3 H 2.211 . 2 147 346 17 GLU HG2 H 2.415 . 2 148 346 17 GLU HG3 H 2.216 . 2 149 346 17 GLU CA C 56.643 . 1 150 346 17 GLU CB C 26.680 . 1 151 346 17 GLU CG C 32.585 . 1 152 346 17 GLU N N 119.703 . 1 153 347 18 VAL H H 7.904 . 1 154 347 18 VAL HA H 3.447 . 1 155 347 18 VAL HB H 2.460 . 1 156 347 18 VAL HG1 H 0.855 . 2 157 347 18 VAL HG2 H 1.078 . 2 158 347 18 VAL CA C 64.238 . 1 159 347 18 VAL CB C 28.770 . 1 160 347 18 VAL CG1 C 19.068 . 1 161 347 18 VAL CG2 C 19.950 . 1 162 347 18 VAL N N 119.436 . 1 163 348 19 GLU H H 8.086 . 1 164 348 19 GLU HA H 3.503 . 1 165 348 19 GLU HB2 H 1.820 . 2 166 348 19 GLU HB3 H 2.030 . 2 167 348 19 GLU HG2 H 2.440 . 2 168 348 19 GLU HG3 H 1.963 . 2 169 348 19 GLU CA C 57.520 . 1 170 348 19 GLU CB C 26.516 . 1 171 348 19 GLU CG C 34.344 . 1 172 348 19 GLU N N 118.177 . 1 173 349 20 LYS H H 8.308 . 1 174 349 20 LYS HA H 3.916 . 1 175 349 20 LYS HB2 H 1.885 . 2 176 349 20 LYS HB3 H 1.845 . 2 177 349 20 LYS HG2 H 1.560 . 2 178 349 20 LYS HG3 H 1.340 . 2 179 349 20 LYS HD2 H 1.630 . 2 180 349 20 LYS HD3 H 1.630 . 2 181 349 20 LYS HE2 H 2.902 . 2 182 349 20 LYS HE3 H 2.902 . 2 183 349 20 LYS CA C 56.988 . 1 184 349 20 LYS CB C 29.706 . 1 185 349 20 LYS CG C 22.535 . 1 186 349 20 LYS CD C 26.730 . 1 187 349 20 LYS CE C 39.290 . 1 188 349 20 LYS N N 118.873 . 1 189 350 21 LEU H H 8.000 . 1 190 350 21 LEU HA H 4.108 . 1 191 350 21 LEU HB2 H 1.830 . 2 192 350 21 LEU HB3 H 1.572 . 2 193 350 21 LEU HG H 1.673 . 1 194 350 21 LEU HD1 H 0.852 . 2 195 350 21 LEU HD2 H 0.855 . 2 196 350 21 LEU CA C 54.830 . 1 197 350 21 LEU CB C 39.220 . 1 198 350 21 LEU CG C 24.230 . 1 199 350 21 LEU CD1 C 22.110 . 1 200 350 21 LEU CD2 C 21.490 . 1 201 350 21 LEU N N 120.600 . 1 202 351 22 LEU H H 8.183 . 1 203 351 22 LEU HA H 4.010 . 1 204 351 22 LEU HB2 H 1.798 . 2 205 351 22 LEU HB3 H 1.220 . 2 206 351 22 LEU HG H 1.820 . 1 207 351 22 LEU HD1 H 0.642 . 2 208 351 22 LEU HD2 H 0.652 . 2 209 351 22 LEU CA C 54.625 . 1 210 351 22 LEU CB C 39.538 . 1 211 351 22 LEU CG C 24.610 . 1 212 351 22 LEU CD1 C 23.030 . 1 213 351 22 LEU CD2 C 20.780 . 1 214 351 22 LEU N N 117.800 . 1 215 352 23 ASN H H 8.624 . 1 216 352 23 ASN HA H 4.488 . 1 217 352 23 ASN HB2 H 2.627 . 2 218 352 23 ASN HB3 H 2.764 . 2 219 352 23 ASN HD21 H 6.691 . 2 220 352 23 ASN HD22 H 7.609 . 2 221 352 23 ASN CA C 52.924 . 1 222 352 23 ASN CB C 36.585 . 1 223 352 23 ASN N N 119.049 . 1 224 352 23 ASN ND2 N 112.983 . 1 225 353 24 GLY H H 7.762 . 1 226 353 24 GLY HA2 H 4.179 . 2 227 353 24 GLY CA C 42.700 . 1 228 353 24 GLY N N 104.812 . 1 229 354 25 SER H H 7.509 . 1 230 354 25 SER HA H 4.508 . 1 231 354 25 SER HB2 H 4.010 . 2 232 354 25 SER HB3 H 3.970 . 2 233 354 25 SER CA C 56.164 . 1 234 354 25 SER CB C 61.571 . 1 235 354 25 SER N N 115.460 . 1 236 355 26 ALA H H 8.364 . 1 237 355 26 ALA HA H 4.424 . 1 238 355 26 ALA HB H 1.473 . 1 239 355 26 ALA CA C 49.750 . 1 240 355 26 ALA CB C 16.580 . 1 241 355 26 ALA N N 124.240 . 1 242 356 27 GLY H H 8.661 . 1 243 356 27 GLY HA2 H 3.980 . 2 244 356 27 GLY HA3 H 3.940 . 2 245 356 27 GLY CA C 44.230 . 1 246 356 27 GLY N N 109.106 . 1 247 357 28 ASP H H 8.476 . 1 248 357 28 ASP HA H 4.410 . 1 249 357 28 ASP HB2 H 2.470 . 2 250 357 28 ASP HB3 H 2.470 . 2 251 357 28 ASP CA C 51.630 . 1 252 357 28 ASP CB C 37.318 . 1 253 357 28 ASP N N 119.049 . 1 254 358 29 THR H H 7.916 . 1 255 358 29 THR HB H 4.318 . 1 256 358 29 THR HG2 H 1.056 . 1 257 358 29 THR CA C 64.320 . 1 258 358 29 THR CB C 65.547 . 1 259 358 29 THR CG2 C 18.750 . 1 260 358 29 THR N N 116.660 . 1 261 359 30 TRP H H 8.354 . 1 262 359 30 TRP HA H 3.940 . 1 263 359 30 TRP HB2 H 3.040 . 2 264 359 30 TRP HB3 H 3.040 . 2 265 359 30 TRP HD1 H 7.608 . 1 266 359 30 TRP HE1 H 10.302 . 1 267 359 30 TRP HE3 H 7.032 . 1 268 359 30 TRP HZ2 H 7.390 . 1 269 359 30 TRP HZ3 H 6.914 . 1 270 359 30 TRP HH2 H 7.194 . 1 271 359 30 TRP CA C 57.468 . 1 272 359 30 TRP CB C 24.720 . 1 273 359 30 TRP CD1 C 125.020 . 1 274 359 30 TRP CE3 C 116.700 . 1 275 359 30 TRP CZ2 C 111.840 . 1 276 359 30 TRP CZ3 C 118.900 . 1 277 359 30 TRP CH2 C 121.930 . 1 278 359 30 TRP N N 119.035 . 1 279 359 30 TRP NE1 N 130.390 . 1 280 360 31 ARG H H 6.301 . 1 281 360 31 ARG HA H 3.020 . 1 282 360 31 ARG HB2 H 1.140 . 2 283 360 31 ARG HB3 H 0.860 . 2 284 360 31 ARG HG2 H -0.025 . 2 285 360 31 ARG HD2 H 2.742 . 2 286 360 31 ARG HD3 H 2.742 . 2 287 360 31 ARG HE H 7.077 . 1 288 360 31 ARG CA C 56.855 . 1 289 360 31 ARG CB C 26.643 . 1 290 360 31 ARG CG C 24.167 . 1 291 360 31 ARG CD C 39.970 . 1 292 360 31 ARG N N 122.070 . 1 293 360 31 ARG NE N 83.900 . 1 294 361 32 HIS H H 7.521 . 1 295 361 32 HIS HA H 4.410 . 1 296 361 32 HIS HB2 H 3.214 . 2 297 361 32 HIS HB3 H 3.214 . 2 298 361 32 HIS HD2 H 7.182 . 1 299 361 32 HIS CA C 54.309 . 1 300 361 32 HIS CB C 25.454 . 1 301 361 32 HIS CD2 C 116.730 . 1 302 361 32 HIS N N 118.960 . 1 303 362 33 LEU H H 8.429 . 1 304 362 33 LEU HA H 3.745 . 1 305 362 33 LEU HB2 H 1.880 . 2 306 362 33 LEU HB3 H 1.180 . 2 307 362 33 LEU HG H 2.000 . 1 308 362 33 LEU HD1 H 0.520 . 2 309 362 33 LEU HD2 H 0.540 . 2 310 362 33 LEU CA C 55.122 . 1 311 362 33 LEU CB C 38.830 . 1 312 362 33 LEU CG C 23.030 . 1 313 362 33 LEU CD1 C 23.000 . 1 314 362 33 LEU CD2 C 20.170 . 1 315 362 33 LEU N N 121.010 . 1 316 363 34 ALA H H 8.363 . 1 317 363 34 ALA HA H 3.797 . 1 318 363 34 ALA HB H 1.449 . 1 319 363 34 ALA CA C 52.819 . 1 320 363 34 ALA CB C 15.903 . 1 321 363 34 ALA N N 118.850 . 1 322 364 35 GLY H H 7.630 . 1 323 364 35 GLY HA2 H 4.170 . 2 324 364 35 GLY HA3 H 4.030 . 2 325 364 35 GLY CA C 44.242 . 1 326 364 35 GLY N N 103.955 . 1 327 365 36 GLU H H 7.704 . 1 328 365 36 GLU HA H 4.237 . 1 329 365 36 GLU HB2 H 2.057 . 2 330 365 36 GLU HB3 H 1.932 . 2 331 365 36 GLU HG2 H 2.182 . 2 332 365 36 GLU HG3 H 2.325 . 2 333 365 36 GLU CA C 54.893 . 1 334 365 36 GLU CB C 26.816 . 1 335 365 36 GLU CG C 33.080 . 1 336 365 36 GLU N N 122.067 . 1 337 366 37 LEU H H 7.772 . 1 338 366 37 LEU HA H 4.298 . 1 339 366 37 LEU HB2 H 1.669 . 2 340 366 37 LEU HB3 H 1.552 . 2 341 366 37 LEU HG H 1.391 . 1 342 366 37 LEU HD1 H 0.145 . 2 343 366 37 LEU HD2 H -0.350 . 2 344 366 37 LEU CA C 51.772 . 1 345 366 37 LEU CB C 38.446 . 1 346 366 37 LEU CG C 22.331 . 1 347 366 37 LEU CD1 C 17.630 . 1 348 366 37 LEU CD2 C 20.630 . 1 349 366 37 LEU N N 117.757 . 1 350 367 38 GLY H H 7.628 . 1 351 367 38 GLY HA2 H 4.180 . 2 352 367 38 GLY CA C 42.630 . 1 353 367 38 GLY N N 105.772 . 1 354 368 39 TYR H H 7.941 . 1 355 368 39 TYR HA H 4.382 . 1 356 368 39 TYR HB2 H 2.770 . 2 357 368 39 TYR HB3 H 2.540 . 2 358 368 39 TYR HD2 H 7.067 . 3 359 368 39 TYR HE2 H 6.712 . 3 360 368 39 TYR CA C 56.551 . 1 361 368 39 TYR CB C 36.000 . 1 362 368 39 TYR CD2 C 129.840 . 3 363 368 39 TYR CE2 C 115.550 . 3 364 368 39 TYR N N 119.480 . 1 365 369 40 GLN H H 9.344 . 1 366 369 40 GLN HB2 H 1.832 . 2 367 369 40 GLN HB3 H 2.426 . 2 368 369 40 GLN HG2 H 2.526 . 2 369 369 40 GLN HG3 H 2.526 . 2 370 369 40 GLN HE21 H 6.860 . 2 371 369 40 GLN HE22 H 7.445 . 2 372 369 40 GLN CA C 51.230 . 1 373 369 40 GLN CB C 25.030 . 1 374 369 40 GLN CG C 31.281 . 1 375 369 40 GLN N N 122.670 . 1 376 369 40 GLN NE2 N 113.310 . 1 377 370 41 PRO HA H 4.039 . 1 378 370 41 PRO HB2 H 2.360 . 2 379 370 41 PRO HB3 H 1.920 . 2 380 370 41 PRO HG2 H 1.980 . 2 381 370 41 PRO HG3 H 2.170 . 2 382 370 41 PRO CA C 64.054 . 1 383 370 41 PRO CB C 29.409 . 1 384 370 41 PRO CG C 25.000 . 1 385 370 41 PRO CD C 47.830 . 1 386 371 42 GLU H H 9.459 . 1 387 371 42 GLU HA H 4.123 . 1 388 371 42 GLU HB2 H 1.910 . 2 389 371 42 GLU HB3 H 1.905 . 2 390 371 42 GLU HG2 H 2.170 . 2 391 371 42 GLU HG3 H 2.110 . 2 392 371 42 GLU CA C 56.472 . 1 393 371 42 GLU CB C 25.530 . 1 394 371 42 GLU CG C 32.942 . 1 395 371 42 GLU N N 116.430 . 1 396 372 43 HIS H H 7.584 . 1 397 372 43 HIS HA H 4.526 . 1 398 372 43 HIS HB2 H 3.356 . 2 399 372 43 HIS HB3 H 3.356 . 2 400 372 43 HIS HD2 H 6.999 . 1 401 372 43 HIS CA C 53.965 . 1 402 372 43 HIS CB C 27.989 . 1 403 372 43 HIS CD2 C 115.830 . 1 404 372 43 HIS N N 119.160 . 1 405 373 44 ILE H H 7.962 . 1 406 373 44 ILE HA H 3.750 . 1 407 373 44 ILE HB H 1.978 . 1 408 373 44 ILE HG12 H 1.752 . 1 409 373 44 ILE HG13 H 0.764 . 1 410 373 44 ILE HG2 H 0.820 . 1 411 373 44 ILE HD1 H 0.704 . 1 412 373 44 ILE CA C 63.296 . 1 413 373 44 ILE CB C 35.213 . 1 414 373 44 ILE CG1 C 27.130 . 1 415 373 44 ILE CG2 C 15.200 . 1 416 373 44 ILE CD1 C 10.580 . 1 417 373 44 ILE N N 120.545 . 1 418 374 45 ASP H H 8.136 . 1 419 374 45 ASP HA H 4.497 . 1 420 374 45 ASP HB2 H 2.657 . 2 421 374 45 ASP HB3 H 2.657 . 2 422 374 45 ASP CA C 54.430 . 1 423 374 45 ASP CB C 37.964 . 1 424 374 45 ASP N N 117.970 . 1 425 375 46 SER H H 7.510 . 1 426 375 46 SER HB2 H 3.729 . 2 427 375 46 SER HB3 H 3.729 . 2 428 375 46 SER CA C 58.920 . 1 429 375 46 SER CB C 59.710 . 1 430 375 46 SER N N 115.350 . 1 431 376 47 PHE H H 7.729 . 1 432 376 47 PHE HA H 4.478 . 1 433 376 47 PHE HB2 H 3.149 . 2 434 376 47 PHE HB3 H 2.920 . 2 435 376 47 PHE HD2 H 7.138 . 3 436 376 47 PHE HE2 H 6.800 . 3 437 376 47 PHE HZ H 6.919 . 1 438 376 47 PHE CA C 56.038 . 1 439 376 47 PHE CB C 35.679 . 1 440 376 47 PHE CD2 C 128.230 . 3 441 376 47 PHE CE2 C 128.330 . 3 442 376 47 PHE CZ C 126.430 . 1 443 376 47 PHE N N 120.086 . 1 444 377 48 THR H H 7.785 . 1 445 377 48 THR HA H 3.942 . 1 446 377 48 THR HB H 4.252 . 1 447 377 48 THR HG2 H 1.399 . 1 448 377 48 THR CA C 62.592 . 1 449 377 48 THR CB C 66.802 . 1 450 377 48 THR CG2 C 19.130 . 1 451 377 48 THR N N 109.930 . 1 452 378 49 HIS H H 7.582 . 1 453 378 49 HIS HA H 4.670 . 1 454 378 49 HIS HB2 H 3.155 . 2 455 378 49 HIS HB3 H 3.440 . 2 456 378 49 HIS HD2 H 7.310 . 1 457 378 49 HIS CA C 52.513 . 1 458 378 49 HIS CB C 25.401 . 1 459 378 49 HIS CD2 C 117.630 . 1 460 378 49 HIS N N 115.650 . 1 461 379 50 GLU H H 7.240 . 1 462 379 50 GLU HA H 4.220 . 1 463 379 50 GLU HB2 H 2.022 . 2 464 379 50 GLU HB3 H 1.615 . 2 465 379 50 GLU HG2 H 2.231 . 2 466 379 50 GLU HG3 H 2.231 . 2 467 379 50 GLU CA C 52.440 . 1 468 379 50 GLU CB C 27.170 . 1 469 379 50 GLU CG C 33.092 . 1 470 379 50 GLU N N 119.320 . 1 471 380 51 ALA H H 8.610 . 1 472 380 51 ALA HA H 3.980 . 1 473 380 51 ALA HB H 1.354 . 1 474 380 51 ALA CA C 52.050 . 1 475 380 51 ALA CB C 15.402 . 1 476 380 51 ALA N N 123.264 . 1 477 381 52 CYS H H 8.031 . 1 478 381 52 CYS HB2 H 2.605 . 2 479 381 52 CYS HB3 H 2.765 . 2 480 381 52 CYS CA C 52.430 . 1 481 381 52 CYS CB C 24.166 . 1 482 381 52 CYS N N 114.452 . 1 483 382 53 PRO HA H 3.538 . 1 484 382 53 PRO HB2 H -0.080 . 2 485 382 53 PRO HB3 H 0.660 . 2 486 382 53 PRO HG2 H 1.570 . 2 487 382 53 PRO HG3 H 1.750 . 2 488 382 53 PRO HD2 H 3.540 . 2 489 382 53 PRO HD3 H 3.380 . 2 490 382 53 PRO CA C 63.202 . 1 491 382 53 PRO CB C 28.401 . 1 492 382 53 PRO CG C 24.030 . 1 493 382 53 PRO CD C 47.730 . 1 494 383 54 VAL H H 7.927 . 1 495 383 54 VAL HA H 3.241 . 1 496 383 54 VAL HB H 1.891 . 1 497 383 54 VAL HG1 H 0.710 . 2 498 383 54 VAL HG2 H 0.783 . 2 499 383 54 VAL CA C 63.111 . 1 500 383 54 VAL CB C 28.335 . 1 501 383 54 VAL CG1 C 18.720 . 1 502 383 54 VAL CG2 C 21.066 . 1 503 383 54 VAL N N 113.842 . 1 504 384 55 ARG H H 6.995 . 1 505 384 55 ARG HA H 3.775 . 1 506 384 55 ARG HB2 H 1.750 . 2 507 384 55 ARG HB3 H 1.750 . 2 508 384 55 ARG HG2 H 1.670 . 2 509 384 55 ARG HG3 H 1.460 . 2 510 384 55 ARG HD2 H 3.090 . 2 511 384 55 ARG HD3 H 3.170 . 2 512 384 55 ARG HE H 7.462 . 1 513 384 55 ARG CA C 56.542 . 1 514 384 55 ARG CB C 27.503 . 1 515 384 55 ARG CG C 24.778 . 1 516 384 55 ARG CD C 40.900 . 1 517 384 55 ARG N N 120.340 . 1 518 384 55 ARG NE N 84.700 . 1 519 385 56 ALA H H 7.358 . 1 520 385 56 ALA HA H 4.011 . 1 521 385 56 ALA HB H 1.352 . 1 522 385 56 ALA CA C 51.916 . 1 523 385 56 ALA CB C 15.578 . 1 524 385 56 ALA N N 121.897 . 1 525 386 57 LEU H H 8.015 . 1 526 386 57 LEU HA H 2.824 . 1 527 386 57 LEU HB2 H 1.549 . 2 528 386 57 LEU HB3 H 0.610 . 2 529 386 57 LEU HG H 0.978 . 1 530 386 57 LEU HD1 H 0.656 . 2 531 386 57 LEU HD2 H 0.282 . 2 532 386 57 LEU CA C 54.719 . 1 533 386 57 LEU CB C 38.532 . 1 534 386 57 LEU CG C 24.530 . 1 535 386 57 LEU CD1 C 23.430 . 1 536 386 57 LEU CD2 C 21.430 . 1 537 386 57 LEU N N 120.877 . 1 538 387 58 LEU H H 7.957 . 1 539 387 58 LEU HA H 4.028 . 1 540 387 58 LEU HB2 H 1.790 . 2 541 387 58 LEU HB3 H 1.372 . 2 542 387 58 LEU HG H 1.550 . 1 543 387 58 LEU HD1 H 0.670 . 2 544 387 58 LEU HD2 H 0.310 . 2 545 387 58 LEU CA C 55.162 . 1 546 387 58 LEU CB C 38.291 . 1 547 387 58 LEU CG C 24.465 . 1 548 387 58 LEU CD1 C 23.023 . 1 549 387 58 LEU CD2 C 19.109 . 1 550 387 58 LEU N N 117.449 . 1 551 388 59 ALA H H 8.090 . 1 552 388 59 ALA HA H 4.127 . 1 553 388 59 ALA HB H 1.423 . 1 554 388 59 ALA CA C 52.050 . 1 555 388 59 ALA CB C 15.308 . 1 556 388 59 ALA N N 120.620 . 1 557 389 60 SER H H 7.457 . 1 558 389 60 SER HA H 4.380 . 1 559 389 60 SER HB2 H 4.200 . 2 560 389 60 SER HB3 H 4.230 . 2 561 389 60 SER CA C 57.797 . 1 562 389 60 SER CB C 60.633 . 1 563 389 60 SER N N 111.948 . 1 564 390 61 TRP H H 9.010 . 1 565 390 61 TRP HA H 4.308 . 1 566 390 61 TRP HB2 H 3.219 . 2 567 390 61 TRP HB3 H 3.460 . 2 568 390 61 TRP HD1 H 7.220 . 1 569 390 61 TRP HE1 H 10.267 . 1 570 390 61 TRP HE3 H 7.184 . 1 571 390 61 TRP HZ2 H 7.260 . 1 572 390 61 TRP HZ3 H 6.127 . 1 573 390 61 TRP HH2 H 7.080 . 1 574 390 61 TRP CA C 58.760 . 1 575 390 61 TRP CB C 25.385 . 1 576 390 61 TRP CD1 C 123.130 . 1 577 390 61 TRP CE3 C 116.996 . 1 578 390 61 TRP CZ2 C 110.960 . 1 579 390 61 TRP CZ3 C 118.160 . 1 580 390 61 TRP CH2 C 121.630 . 1 581 390 61 TRP N N 125.462 . 1 582 390 61 TRP NE1 N 130.160 . 1 583 391 62 ALA H H 8.293 . 1 584 391 62 ALA HA H 3.573 . 1 585 391 62 ALA HB H 1.618 . 1 586 391 62 ALA CA C 50.739 . 1 587 391 62 ALA CB C 16.489 . 1 588 391 62 ALA N N 114.656 . 1 589 392 63 THR H H 7.229 . 1 590 392 63 THR HA H 4.180 . 1 591 392 63 THR HB H 4.390 . 1 592 392 63 THR HG2 H 1.393 . 1 593 392 63 THR CA C 60.070 . 1 594 392 63 THR CB C 67.019 . 1 595 392 63 THR CG2 C 18.730 . 1 596 392 63 THR N N 106.368 . 1 597 393 64 GLN H H 7.686 . 1 598 393 64 GLN HA H 4.288 . 1 599 393 64 GLN HB2 H 1.810 . 2 600 393 64 GLN HB3 H 2.080 . 2 601 393 64 GLN HG2 H 2.310 . 2 602 393 64 GLN HG3 H 2.500 . 2 603 393 64 GLN HE21 H 7.177 . 2 604 393 64 GLN HE22 H 6.939 . 2 605 393 64 GLN CA C 52.866 . 1 606 393 64 GLN CB C 26.934 . 1 607 393 64 GLN CG C 31.530 . 1 608 393 64 GLN N N 121.042 . 1 609 393 64 GLN NE2 N 110.940 . 1 610 394 65 ASP H H 8.627 . 1 611 394 65 ASP HA H 4.250 . 1 612 394 65 ASP HB2 H 2.621 . 2 613 394 65 ASP HB3 H 2.621 . 2 614 394 65 ASP CA C 53.289 . 1 615 394 65 ASP CB C 37.503 . 1 616 394 65 ASP N N 121.338 . 1 617 395 66 SER H H 7.460 . 1 618 395 66 SER HA H 4.281 . 1 619 395 66 SER HB2 H 3.810 . 2 620 395 66 SER HB3 H 4.080 . 2 621 395 66 SER CA C 54.230 . 1 622 395 66 SER CB C 60.194 . 1 623 395 66 SER N N 108.630 . 1 624 396 67 ALA H H 7.086 . 1 625 396 67 ALA HA H 3.968 . 1 626 396 67 ALA HB H -0.216 . 1 627 396 67 ALA CA C 49.537 . 1 628 396 67 ALA CB C 13.636 . 1 629 396 67 ALA N N 127.500 . 1 630 397 68 THR H H 7.752 . 1 631 397 68 THR HA H 4.660 . 1 632 397 68 THR HG2 H 1.089 . 1 633 397 68 THR CA C 56.659 . 1 634 397 68 THR CB C 68.569 . 1 635 397 68 THR CG2 C 19.162 . 1 636 397 68 THR N N 115.226 . 1 637 398 69 LEU H H 8.828 . 1 638 398 69 LEU HA H 4.364 . 1 639 398 69 LEU HB2 H 2.060 . 2 640 398 69 LEU HB3 H 1.571 . 2 641 398 69 LEU HG H 1.730 . 1 642 398 69 LEU HD1 H 1.010 . 2 643 398 69 LEU HD2 H 1.074 . 2 644 398 69 LEU CA C 55.819 . 1 645 398 69 LEU CB C 38.396 . 1 646 398 69 LEU CG C 24.530 . 1 647 398 69 LEU CD1 C 22.750 . 1 648 398 69 LEU CD2 C 20.530 . 1 649 398 69 LEU N N 122.158 . 1 650 399 70 ASP H H 8.689 . 1 651 399 70 ASP HA H 4.319 . 1 652 399 70 ASP HB2 H 2.618 . 2 653 399 70 ASP HB3 H 2.618 . 2 654 399 70 ASP CA C 55.108 . 1 655 399 70 ASP CB C 37.752 . 1 656 399 70 ASP N N 116.933 . 1 657 400 71 ALA H H 8.256 . 1 658 400 71 ALA HA H 4.241 . 1 659 400 71 ALA HB H 1.852 . 1 660 400 71 ALA CA C 52.392 . 1 661 400 71 ALA CB C 15.779 . 1 662 400 71 ALA N N 123.189 . 1 663 401 72 LEU H H 7.965 . 1 664 401 72 LEU HA H 3.773 . 1 665 401 72 LEU HB2 H 2.160 . 2 666 401 72 LEU HB3 H 1.681 . 2 667 401 72 LEU HG H 1.279 . 1 668 401 72 LEU HD1 H 0.656 . 2 669 401 72 LEU HD2 H 0.276 . 2 670 401 72 LEU CA C 55.234 . 1 671 401 72 LEU CB C 38.432 . 1 672 401 72 LEU CG C 24.596 . 1 673 401 72 LEU CD1 C 23.564 . 1 674 401 72 LEU CD2 C 20.430 . 1 675 401 72 LEU N N 121.860 . 1 676 402 73 LEU H H 8.643 . 1 677 402 73 LEU HA H 3.829 . 1 678 402 73 LEU HB2 H 1.970 . 2 679 402 73 LEU HB3 H 1.390 . 2 680 402 73 LEU HG H 2.010 . 1 681 402 73 LEU HD1 H 0.866 . 2 682 402 73 LEU HD2 H 0.790 . 2 683 402 73 LEU CA C 55.227 . 1 684 402 73 LEU CB C 37.540 . 1 685 402 73 LEU CG C 23.830 . 1 686 402 73 LEU CD1 C 22.990 . 1 687 402 73 LEU CD2 C 20.230 . 1 688 402 73 LEU N N 117.500 . 1 689 403 74 ALA H H 8.166 . 1 690 403 74 ALA HA H 3.990 . 1 691 403 74 ALA HB H 1.460 . 1 692 403 74 ALA CA C 52.348 . 1 693 403 74 ALA CB C 15.300 . 1 694 403 74 ALA N N 120.060 . 1 695 404 75 ALA H H 7.617 . 1 696 404 75 ALA HA H 3.794 . 1 697 404 75 ALA HB H 1.237 . 1 698 404 75 ALA CA C 52.636 . 1 699 404 75 ALA CB C 16.075 . 1 700 404 75 ALA N N 121.309 . 1 701 405 76 LEU H H 8.020 . 1 702 405 76 LEU HA H 3.840 . 1 703 405 76 LEU HB2 H 1.912 . 2 704 405 76 LEU HB3 H 1.115 . 2 705 405 76 LEU HG H 1.680 . 1 706 405 76 LEU HD1 H 0.640 . 2 707 405 76 LEU HD2 H 0.684 . 2 708 405 76 LEU CA C 54.424 . 1 709 405 76 LEU CB C 38.981 . 1 710 405 76 LEU CG C 23.730 . 1 711 405 76 LEU CD1 C 23.106 . 1 712 405 76 LEU CD2 C 21.030 . 1 713 405 76 LEU N N 116.582 . 1 714 406 77 ARG H H 7.954 . 1 715 406 77 ARG HA H 3.791 . 1 716 406 77 ARG HB2 H 1.900 . 2 717 406 77 ARG HG2 H 1.910 . 2 718 406 77 ARG HG3 H 1.400 . 2 719 406 77 ARG HD2 H 3.150 . 2 720 406 77 ARG CA C 57.545 . 1 721 406 77 ARG CB C 27.035 . 1 722 406 77 ARG CG C 26.630 . 1 723 406 77 ARG CD C 40.530 . 1 724 406 77 ARG N N 118.357 . 1 725 407 78 ARG H H 7.914 . 1 726 407 78 ARG HA H 4.070 . 1 727 407 78 ARG HB2 H 1.990 . 2 728 407 78 ARG HB3 H 1.730 . 2 729 407 78 ARG HG2 H 2.010 . 2 730 407 78 ARG HG3 H 1.438 . 2 731 407 78 ARG HD2 H 3.329 . 2 732 407 78 ARG HD3 H 3.150 . 2 733 407 78 ARG HE H 8.150 . 1 734 407 78 ARG CA C 57.409 . 1 735 407 78 ARG CB C 27.644 . 1 736 407 78 ARG CG C 26.030 . 1 737 407 78 ARG CD C 40.830 . 1 738 407 78 ARG N N 120.185 . 1 739 407 78 ARG NE N 84.609 . 1 740 408 79 ILE H H 7.292 . 1 741 408 79 ILE HA H 4.520 . 1 742 408 79 ILE HB H 2.080 . 1 743 408 79 ILE HG12 H 1.420 . 1 744 408 79 ILE HG13 H 1.316 . 1 745 408 79 ILE HG2 H 0.680 . 1 746 408 79 ILE HD1 H 0.728 . 1 747 408 79 ILE CA C 58.430 . 1 748 408 79 ILE CB C 34.230 . 1 749 408 79 ILE CG1 C 23.930 . 1 750 408 79 ILE CG2 C 15.090 . 1 751 408 79 ILE CD1 C 12.610 . 1 752 408 79 ILE N N 110.570 . 1 753 409 80 GLN H H 7.744 . 1 754 409 80 GLN HA H 3.953 . 1 755 409 80 GLN HB2 H 2.330 . 2 756 409 80 GLN HB3 H 2.330 . 2 757 409 80 GLN HG2 H 2.230 . 2 758 409 80 GLN HG3 H 2.230 . 2 759 409 80 GLN HE21 H 7.373 . 2 760 409 80 GLN HE22 H 6.719 . 2 761 409 80 GLN CA C 54.248 . 1 762 409 80 GLN CB C 22.446 . 1 763 409 80 GLN CG C 31.426 . 1 764 409 80 GLN N N 113.814 . 1 765 409 80 GLN NE2 N 112.259 . 1 766 410 81 ARG H H 8.014 . 1 767 410 81 ARG HA H 5.036 . 1 768 410 81 ARG HB2 H 1.937 . 2 769 410 81 ARG HB3 H 1.577 . 2 770 410 81 ARG HG2 H 1.454 . 2 771 410 81 ARG HG3 H 1.460 . 2 772 410 81 ARG HD2 H 3.358 . 2 773 410 81 ARG HD3 H 3.358 . 2 774 410 81 ARG CA C 48.727 . 1 775 410 81 ARG CB C 24.520 . 1 776 410 81 ARG CG C 22.180 . 1 777 410 81 ARG CD C 37.730 . 1 778 410 81 ARG N N 117.066 . 1 779 411 82 ALA H H 8.138 . 1 780 411 82 ALA HA H 3.835 . 1 781 411 82 ALA HB H 1.429 . 1 782 411 82 ALA CA C 52.152 . 1 783 411 82 ALA CB C 15.516 . 1 784 411 82 ALA N N 123.080 . 1 785 412 83 ASP H H 8.925 . 1 786 412 83 ASP HA H 4.215 . 1 787 412 83 ASP HB2 H 2.757 . 2 788 412 83 ASP HB3 H 2.524 . 2 789 412 83 ASP CA C 53.464 . 1 790 412 83 ASP CB C 35.924 . 1 791 412 83 ASP N N 116.675 . 1 792 413 84 LEU H H 7.494 . 1 793 413 84 LEU HA H 4.121 . 1 794 413 84 LEU HB2 H 1.960 . 2 795 413 84 LEU HB3 H 1.270 . 2 796 413 84 LEU HG H 1.700 . 1 797 413 84 LEU HD1 H 0.793 . 2 798 413 84 LEU HD2 H 0.780 . 2 799 413 84 LEU CA C 54.170 . 1 800 413 84 LEU CB C 39.049 . 1 801 413 84 LEU CG C 24.330 . 1 802 413 84 LEU CD1 C 22.830 . 1 803 413 84 LEU CD2 C 20.210 . 1 804 413 84 LEU N N 121.055 . 1 805 414 85 VAL H H 7.148 . 1 806 414 85 VAL HA H 3.429 . 1 807 414 85 VAL HB H 2.250 . 1 808 414 85 VAL HG1 H 0.920 . 2 809 414 85 VAL HG2 H 0.990 . 2 810 414 85 VAL CA C 63.815 . 1 811 414 85 VAL CB C 28.932 . 1 812 414 85 VAL CG1 C 19.080 . 1 813 414 85 VAL CG2 C 21.400 . 1 814 414 85 VAL N N 117.882 . 1 815 415 86 GLU H H 8.018 . 1 816 415 86 GLU HA H 3.958 . 1 817 415 86 GLU HB2 H 2.034 . 2 818 415 86 GLU HB3 H 2.034 . 2 819 415 86 GLU HG2 H 2.310 . 2 820 415 86 GLU HG3 H 2.278 . 2 821 415 86 GLU CA C 56.371 . 1 822 415 86 GLU CB C 26.180 . 1 823 415 86 GLU CG C 32.980 . 1 824 415 86 GLU N N 118.409 . 1 825 416 87 SER H H 7.685 . 1 826 416 87 SER HA H 4.190 . 1 827 416 87 SER HB2 H 3.900 . 2 828 416 87 SER HB3 H 3.900 . 2 829 416 87 SER CA C 58.821 . 1 830 416 87 SER CB C 60.530 . 1 831 416 87 SER N N 113.826 . 1 832 417 88 LEU H H 7.762 . 1 833 417 88 LEU HA H 4.173 . 1 834 417 88 LEU HB2 H 1.838 . 2 835 417 88 LEU HB3 H 1.465 . 2 836 417 88 LEU HG H 1.713 . 1 837 417 88 LEU HD1 H 0.720 . 2 838 417 88 LEU HD2 H 0.820 . 2 839 417 88 LEU CA C 54.049 . 1 840 417 88 LEU CB C 40.302 . 1 841 417 88 LEU CG C 24.210 . 1 842 417 88 LEU CD1 C 22.666 . 1 843 417 88 LEU CD2 C 21.786 . 1 844 417 88 LEU N N 120.266 . 1 845 418 89 CYS H H 7.879 . 1 846 418 89 CYS HA H 4.457 . 1 847 418 89 CYS HB2 H 2.962 . 2 848 418 89 CYS HB3 H 2.834 . 2 849 418 89 CYS CA C 57.163 . 1 850 418 89 CYS CB C 25.317 . 1 851 418 89 CYS N N 116.023 . 1 852 419 90 SER H H 7.826 . 1 853 419 90 SER HA H 4.373 . 1 854 419 90 SER HB2 H 3.895 . 2 855 419 90 SER HB3 H 3.895 . 2 856 419 90 SER CA C 56.218 . 1 857 419 90 SER CB C 61.039 . 1 858 419 90 SER N N 116.434 . 1 859 420 91 GLU H H 8.349 . 1 860 420 91 GLU HA H 4.335 . 1 861 420 91 GLU HB2 H 1.926 . 2 862 420 91 GLU HB3 H 2.064 . 2 863 420 91 GLU HG2 H 2.279 . 2 864 420 91 GLU HG3 H 2.279 . 2 865 420 91 GLU CA C 53.696 . 1 866 420 91 GLU CB C 27.190 . 1 867 420 91 GLU CG C 32.834 . 1 868 420 91 GLU N N 122.202 . 1 869 421 92 SER H H 8.303 . 1 870 421 92 SER HA H 4.457 . 1 871 421 92 SER HB2 H 3.837 . 2 872 421 92 SER HB3 H 3.837 . 2 873 421 92 SER CA C 55.743 . 1 874 421 92 SER CB C 61.034 . 1 875 421 92 SER N N 116.421 . 1 876 422 93 THR H H 8.134 . 1 877 422 93 THR HA H 4.310 . 1 878 422 93 THR HB H 4.230 . 1 879 422 93 THR HG2 H 1.154 . 1 880 422 93 THR CA C 59.078 . 1 881 422 93 THR CB C 66.902 . 1 882 422 93 THR CG2 C 18.909 . 1 883 422 93 THR N N 115.609 . 1 884 423 94 ALA H H 8.210 . 1 885 423 94 ALA HA H 4.340 . 1 886 423 94 ALA HB H 1.354 . 1 887 423 94 ALA CA C 49.818 . 1 888 423 94 ALA CB C 16.520 . 1 889 423 94 ALA N N 126.089 . 1 890 424 95 THR H H 8.037 . 1 891 424 95 THR HA H 4.299 . 1 892 424 95 THR HB H 4.170 . 1 893 424 95 THR HG2 H 1.136 . 1 894 424 95 THR CA C 58.850 . 1 895 424 95 THR CB C 67.070 . 1 896 424 95 THR CG2 C 18.893 . 1 897 424 95 THR N N 112.796 . 1 898 425 96 SER H H 8.173 . 1 899 425 96 SER HB2 H 3.774 . 2 900 425 96 SER CA C 53.534 . 1 901 425 96 SER CB C 60.695 . 1 902 425 96 SER N N 119.300 . 1 903 426 97 PRO HA H 4.441 . 1 904 426 97 PRO HB2 H 2.212 . 2 905 426 97 PRO HB3 H 2.212 . 2 906 426 97 PRO HG2 H 1.951 . 2 907 426 97 PRO HG3 H 1.960 . 2 908 426 97 PRO HD2 H 3.710 . 2 909 426 97 PRO HD3 H 3.760 . 2 910 426 97 PRO CA C 60.766 . 1 911 426 97 PRO CB C 29.231 . 1 912 426 97 PRO CG C 24.441 . 1 913 426 97 PRO CD C 48.022 . 1 914 427 98 VAL H H 7.616 . 1 915 427 98 VAL HA H 3.993 . 1 916 427 98 VAL HB H 2.019 . 1 917 427 98 VAL HG1 H 0.825 . 2 918 427 98 VAL HG2 H 0.853 . 2 919 427 98 VAL CA C 60.675 . 1 920 427 98 VAL CB C 30.610 . 1 921 427 98 VAL CG1 C 17.334 . 1 922 427 98 VAL CG2 C 18.860 . 1 923 427 98 VAL N N 123.083 . 1 stop_ save_ save_assigned_chem_shift_list_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCA' '3D HN(CO)CA' '3D HCCH-TOCSY' '4D 13C, 15N-edited NOESY' stop_ loop_ _Sample_label $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity_2 _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 1 434 1 GLY H H 8.462 . 1 2 434 1 GLY HA2 H 3.894 . 2 3 434 1 GLY HA3 H 4.190 . 2 4 434 1 GLY CA C 42.460 . 1 5 434 1 GLY N N 112.100 . 1 6 435 2 ILE H H 7.918 . 1 7 435 2 ILE HA H 3.809 . 1 8 435 2 ILE HB H 1.775 . 1 9 435 2 ILE HG12 H 1.630 . 1 10 435 2 ILE HG13 H 1.260 . 1 11 435 2 ILE HG2 H 0.900 . 1 12 435 2 ILE HD1 H 0.904 . 1 13 435 2 ILE CA C 61.675 . 1 14 435 2 ILE CB C 36.000 . 1 15 435 2 ILE CG1 C 25.800 . 1 16 435 2 ILE CG2 C 15.000 . 1 17 435 2 ILE CD1 C 10.370 . 1 18 435 2 ILE N N 120.964 . 1 19 436 3 ALA H H 11.720 . 1 20 436 3 ALA HA H 4.049 . 1 21 436 3 ALA HB H 1.320 . 1 22 436 3 ALA CA C 53.240 . 1 23 436 3 ALA CB C 15.400 . 1 24 436 3 ALA N N 130.090 . 1 25 437 4 GLN H H 9.827 . 1 26 437 4 GLN HA H 3.737 . 1 27 437 4 GLN HB2 H 2.060 . 2 28 437 4 GLN HB3 H 2.060 . 2 29 437 4 GLN HG2 H 2.227 . 2 30 437 4 GLN HG3 H 2.632 . 2 31 437 4 GLN HE21 H 7.003 . 2 32 437 4 GLN HE22 H 7.470 . 2 33 437 4 GLN CA C 57.403 . 1 34 437 4 GLN CB C 26.600 . 1 35 437 4 GLN CG C 32.200 . 1 36 437 4 GLN N N 120.990 . 1 37 437 4 GLN NE2 N 112.081 . 1 38 438 5 GLN H H 8.519 . 1 39 438 5 GLN HA H 3.990 . 1 40 438 5 GLN HB2 H 2.130 . 2 41 438 5 GLN HB3 H 2.130 . 2 42 438 5 GLN HG2 H 2.323 . 2 43 438 5 GLN HG3 H 2.555 . 2 44 438 5 GLN HE21 H 7.255 . 2 45 438 5 GLN HE22 H 6.737 . 2 46 438 5 GLN CA C 56.438 . 1 47 438 5 GLN CB C 26.000 . 1 48 438 5 GLN CG C 32.000 . 1 49 438 5 GLN N N 118.100 . 1 50 438 5 GLN NE2 N 111.510 . 1 51 439 6 TRP H H 8.240 . 1 52 439 6 TRP HA H 4.077 . 1 53 439 6 TRP HB2 H 3.537 . 2 54 439 6 TRP HB3 H 3.286 . 2 55 439 6 TRP HE1 H 10.412 . 1 56 439 6 TRP CA C 59.920 . 1 57 439 6 TRP CB C 26.200 . 1 58 439 6 TRP N N 123.530 . 1 59 439 6 TRP NE1 N 129.500 . 1 60 440 7 ILE H H 8.633 . 1 61 440 7 ILE HA H 3.287 . 1 62 440 7 ILE HB H 2.090 . 1 63 440 7 ILE HG12 H 2.191 . 1 64 440 7 ILE HG13 H 1.202 . 1 65 440 7 ILE HG2 H 0.899 . 1 66 440 7 ILE HD1 H 1.047 . 1 67 440 7 ILE CA C 62.515 . 1 68 440 7 ILE CB C 34.800 . 1 69 440 7 ILE CG1 C 26.970 . 1 70 440 7 ILE CG2 C 15.088 . 1 71 440 7 ILE CD1 C 11.500 . 1 72 440 7 ILE N N 119.539 . 1 73 441 8 GLN H H 7.947 . 1 74 441 8 GLN HA H 3.880 . 1 75 441 8 GLN HB2 H 2.170 . 2 76 441 8 GLN HB3 H 2.030 . 2 77 441 8 GLN HG2 H 2.501 . 2 78 441 8 GLN HG3 H 2.501 . 2 79 441 8 GLN HE21 H 7.551 . 2 80 441 8 GLN HE22 H 6.777 . 2 81 441 8 GLN CA C 56.300 . 1 82 441 8 GLN CB C 25.000 . 1 83 441 8 GLN CG C 30.900 . 1 84 441 8 GLN N N 115.903 . 1 85 441 8 GLN NE2 N 111.362 . 1 86 442 9 SER H H 7.960 . 1 87 442 9 SER HA H 4.184 . 1 88 442 9 SER HB2 H 3.888 . 2 89 442 9 SER HB3 H 3.888 . 2 90 442 9 SER CA C 58.192 . 1 91 442 9 SER CB C 60.685 . 1 92 442 9 SER N N 114.549 . 1 93 443 10 LYS H H 7.244 . 1 94 443 10 LYS HA H 4.541 . 1 95 443 10 LYS HB2 H 1.395 . 2 96 443 10 LYS HB3 H 0.896 . 2 97 443 10 LYS HG2 H 0.540 . 2 98 443 10 LYS HG3 H 0.430 . 2 99 443 10 LYS HD2 H 0.970 . 2 100 443 10 LYS HD3 H 0.690 . 2 101 443 10 LYS HE2 H 2.420 . 2 102 443 10 LYS HE3 H 2.176 . 2 103 443 10 LYS CA C 51.710 . 1 104 443 10 LYS CB C 28.700 . 1 105 443 10 LYS CG C 19.980 . 1 106 443 10 LYS CD C 25.500 . 1 107 443 10 LYS CE C 39.100 . 1 108 443 10 LYS N N 120.070 . 1 109 444 11 ARG H H 6.859 . 1 110 444 11 ARG HA H 3.556 . 1 111 444 11 ARG HB2 H 1.988 . 2 112 444 11 ARG HB3 H 1.712 . 2 113 444 11 ARG HG2 H 1.440 . 2 114 444 11 ARG HG3 H 1.440 . 2 115 444 11 ARG HD2 H 3.180 . 2 116 444 11 ARG HD3 H 3.180 . 2 117 444 11 ARG HE H 7.540 . 1 118 444 11 ARG CA C 58.833 . 1 119 444 11 ARG CB C 29.200 . 1 120 444 11 ARG CG C 24.980 . 1 121 444 11 ARG CD C 40.800 . 1 122 444 11 ARG N N 122.460 . 1 123 444 11 ARG NE N 84.590 . 1 124 445 12 GLU H H 8.422 . 1 125 445 12 GLU HA H 3.876 . 1 126 445 12 GLU HB2 H 1.846 . 2 127 445 12 GLU HB3 H 1.930 . 2 128 445 12 GLU HG2 H 2.310 . 2 129 445 12 GLU HG3 H 2.250 . 2 130 445 12 GLU CA C 56.171 . 1 131 445 12 GLU CB C 25.900 . 1 132 445 12 GLU CG C 33.291 . 1 133 445 12 GLU N N 115.146 . 1 134 446 13 ASP H H 7.447 . 1 135 446 13 ASP HA H 4.409 . 1 136 446 13 ASP HB2 H 2.434 . 2 137 446 13 ASP HB3 H 2.434 . 2 138 446 13 ASP CA C 54.461 . 1 139 446 13 ASP CB C 37.500 . 1 140 446 13 ASP N N 119.470 . 1 141 447 14 ILE H H 8.255 . 1 142 447 14 ILE HA H 3.358 . 1 143 447 14 ILE HB H 1.860 . 1 144 447 14 ILE HG12 H 1.644 . 1 145 447 14 ILE HG13 H 0.727 . 1 146 447 14 ILE HG2 H 0.888 . 1 147 447 14 ILE HD1 H 0.726 . 1 148 447 14 ILE CA C 63.971 . 1 149 447 14 ILE CB C 34.700 . 1 150 447 14 ILE CG1 C 27.340 . 1 151 447 14 ILE CG2 C 17.260 . 1 152 447 14 ILE CD1 C 13.140 . 1 153 447 14 ILE N N 120.650 . 1 154 448 15 VAL H H 8.057 . 1 155 448 15 VAL HA H 3.416 . 1 156 448 15 VAL HB H 2.137 . 1 157 448 15 VAL HG1 H 0.921 . 2 158 448 15 VAL HG2 H 0.866 . 2 159 448 15 VAL CA C 64.250 . 1 160 448 15 VAL CB C 28.700 . 1 161 448 15 VAL CG1 C 19.400 . 1 162 448 15 VAL CG2 C 20.500 . 1 163 448 15 VAL N N 119.480 . 1 164 449 16 ASN H H 7.703 . 1 165 449 16 ASN HA H 4.511 . 1 166 449 16 ASN HB2 H 2.930 . 2 167 449 16 ASN HB3 H 2.810 . 2 168 449 16 ASN HD21 H 6.911 . 2 169 449 16 ASN HD22 H 7.655 . 2 170 449 16 ASN CA C 53.280 . 1 171 449 16 ASN CB C 36.680 . 1 172 449 16 ASN N N 113.947 . 1 173 449 16 ASN ND2 N 113.578 . 1 174 450 17 GLN H H 8.166 . 1 175 450 17 GLN HA H 4.298 . 1 176 450 17 GLN HB2 H 2.098 . 2 177 450 17 GLN HB3 H 1.703 . 2 178 450 17 GLN HG2 H 2.227 . 2 179 450 17 GLN HG3 H 2.574 . 2 180 450 17 GLN HE21 H 7.351 . 2 181 450 17 GLN HE22 H 6.039 . 2 182 450 17 GLN CA C 54.940 . 1 183 450 17 GLN CB C 28.700 . 1 184 450 17 GLN CG C 31.600 . 1 185 450 17 GLN N N 115.260 . 1 186 450 17 GLN NE2 N 108.730 . 1 187 451 18 MET H H 8.969 . 1 188 451 18 MET HA H 4.097 . 1 189 451 18 MET HB2 H 2.835 . 2 190 451 18 MET HB3 H 2.408 . 2 191 451 18 MET HG2 H 1.910 . 2 192 451 18 MET HG3 H 2.040 . 2 193 451 18 MET HE H 1.859 . 1 194 451 18 MET CA C 55.343 . 1 195 451 18 MET CB C 28.200 . 1 196 451 18 MET CG C 30.500 . 1 197 451 18 MET CE C 13.900 . 1 198 451 18 MET N N 122.494 . 1 199 452 19 THR H H 9.068 . 1 200 452 19 THR HA H 4.207 . 1 201 452 19 THR HB H 4.727 . 1 202 452 19 THR HG2 H 1.426 . 1 203 452 19 THR CA C 59.018 . 1 204 452 19 THR CB C 68.300 . 1 205 452 19 THR CG2 C 19.140 . 1 206 452 19 THR N N 119.810 . 1 207 453 20 GLU H H 9.134 . 1 208 453 20 GLU HA H 3.764 . 1 209 453 20 GLU HB2 H 2.013 . 2 210 453 20 GLU HB3 H 2.013 . 2 211 453 20 GLU HG2 H 2.229 . 2 212 453 20 GLU HG3 H 2.229 . 2 213 453 20 GLU CA C 57.632 . 1 214 453 20 GLU CB C 26.600 . 1 215 453 20 GLU CG C 34.400 . 1 216 453 20 GLU N N 121.400 . 1 217 454 21 ALA H H 8.298 . 1 218 454 21 ALA HA H 4.168 . 1 219 454 21 ALA HB H 1.359 . 1 220 454 21 ALA CA C 52.530 . 1 221 454 21 ALA CB C 15.200 . 1 222 454 21 ALA N N 120.170 . 1 223 455 22 CYS H H 7.996 . 1 224 455 22 CYS HA H 3.712 . 1 225 455 22 CYS HB2 H 2.982 . 2 226 455 22 CYS HB3 H 2.652 . 2 227 455 22 CYS CA C 59.660 . 1 228 455 22 CYS CB C 24.270 . 1 229 455 22 CYS N N 119.400 . 1 230 456 23 LEU H H 8.560 . 1 231 456 23 LEU HA H 3.961 . 1 232 456 23 LEU HB2 H 1.430 . 2 233 456 23 LEU HB3 H 2.065 . 2 234 456 23 LEU HG H 1.522 . 1 235 456 23 LEU HD1 H 0.828 . 2 236 456 23 LEU HD2 H 0.785 . 2 237 456 23 LEU CA C 56.180 . 1 238 456 23 LEU CB C 38.220 . 1 239 456 23 LEU CG C 24.600 . 1 240 456 23 LEU CD1 C 24.000 . 1 241 456 23 LEU CD2 C 21.800 . 1 242 456 23 LEU N N 124.988 . 1 243 457 24 ASN H H 8.548 . 1 244 457 24 ASN HA H 4.333 . 1 245 457 24 ASN HB2 H 2.848 . 2 246 457 24 ASN HB3 H 2.848 . 2 247 457 24 ASN HD21 H 7.335 . 2 248 457 24 ASN HD22 H 6.932 . 2 249 457 24 ASN CA C 54.010 . 1 250 457 24 ASN CB C 35.200 . 1 251 457 24 ASN N N 119.040 . 1 252 457 24 ASN ND2 N 111.661 . 1 253 458 25 GLN H H 8.465 . 1 254 458 25 GLN HA H 4.125 . 1 255 458 25 GLN HB2 H 2.055 . 2 256 458 25 GLN HB3 H 1.950 . 2 257 458 25 GLN HG2 H 2.771 . 2 258 458 25 GLN HG3 H 2.448 . 2 259 458 25 GLN HE21 H 7.376 . 2 260 458 25 GLN HE22 H 6.846 . 2 261 458 25 GLN CA C 56.216 . 1 262 458 25 GLN CB C 26.300 . 1 263 458 25 GLN CG C 31.270 . 1 264 458 25 GLN N N 118.654 . 1 265 458 25 GLN NE2 N 111.149 . 1 266 459 26 SER H H 8.619 . 1 267 459 26 SER HA H 3.896 . 1 268 459 26 SER HB2 H 4.202 . 2 269 459 26 SER HB3 H 3.337 . 2 270 459 26 SER CA C 61.310 . 1 271 459 26 SER CB C 59.973 . 1 272 459 26 SER N N 118.657 . 1 273 460 27 LEU H H 8.310 . 1 274 460 27 LEU HA H 3.835 . 1 275 460 27 LEU HB2 H 1.447 . 2 276 460 27 LEU HB3 H 1.992 . 2 277 460 27 LEU HG H 1.719 . 1 278 460 27 LEU HD1 H 0.645 . 2 279 460 27 LEU HD2 H 0.654 . 2 280 460 27 LEU CA C 55.876 . 1 281 460 27 LEU CB C 38.766 . 1 282 460 27 LEU CG C 23.900 . 1 283 460 27 LEU CD1 C 22.400 . 1 284 460 27 LEU CD2 C 20.285 . 1 285 460 27 LEU N N 121.907 . 1 286 461 28 ASP H H 8.075 . 1 287 461 28 ASP HA H 4.463 . 1 288 461 28 ASP HB2 H 2.679 . 2 289 461 28 ASP HB3 H 2.679 . 2 290 461 28 ASP CA C 54.917 . 1 291 461 28 ASP CB C 37.800 . 1 292 461 28 ASP N N 117.799 . 1 293 462 29 ALA H H 7.981 . 1 294 462 29 ALA HA H 4.128 . 1 295 462 29 ALA HB H 1.385 . 1 296 462 29 ALA CA C 52.174 . 1 297 462 29 ALA CB C 16.100 . 1 298 462 29 ALA N N 123.542 . 1 299 463 30 LEU H H 8.422 . 1 300 463 30 LEU HA H 3.789 . 1 301 463 30 LEU HB2 H 1.892 . 2 302 463 30 LEU HB3 H 0.904 . 2 303 463 30 LEU HG H 1.658 . 1 304 463 30 LEU HD1 H 0.211 . 2 305 463 30 LEU HD2 H 0.200 . 2 306 463 30 LEU CA C 55.500 . 1 307 463 30 LEU CB C 39.500 . 1 308 463 30 LEU CG C 23.800 . 1 309 463 30 LEU CD1 C 23.500 . 1 310 463 30 LEU CD2 C 20.600 . 1 311 463 30 LEU N N 119.000 . 1 312 464 31 LEU H H 8.500 . 1 313 464 31 LEU HA H 4.157 . 1 314 464 31 LEU HB2 H 1.695 . 2 315 464 31 LEU HB3 H 1.840 . 2 316 464 31 LEU HG H 1.471 . 1 317 464 31 LEU HD1 H 0.560 . 2 318 464 31 LEU HD2 H 0.480 . 2 319 464 31 LEU CA C 55.650 . 1 320 464 31 LEU CB C 39.600 . 1 321 464 31 LEU CG C 23.800 . 1 322 464 31 LEU CD1 C 21.280 . 1 323 464 31 LEU CD2 C 21.700 . 1 324 464 31 LEU N N 122.068 . 1 325 465 32 SER H H 8.314 . 1 326 465 32 SER HA H 4.192 . 1 327 465 32 SER HB2 H 3.989 . 2 328 465 32 SER HB3 H 3.989 . 2 329 465 32 SER CA C 58.900 . 1 330 465 32 SER CB C 60.318 . 1 331 465 32 SER N N 116.100 . 1 332 466 33 ARG H H 7.172 . 1 333 466 33 ARG HA H 4.381 . 1 334 466 33 ARG HB2 H 1.440 . 2 335 466 33 ARG HB3 H 2.190 . 2 336 466 33 ARG HG2 H 1.800 . 2 337 466 33 ARG HG3 H 1.630 . 2 338 466 33 ARG HD2 H 3.059 . 2 339 466 33 ARG HD3 H 3.059 . 2 340 466 33 ARG HE H 7.275 . 1 341 466 33 ARG CA C 52.723 . 1 342 466 33 ARG CB C 28.300 . 1 343 466 33 ARG CG C 24.700 . 1 344 466 33 ARG CD C 40.550 . 1 345 466 33 ARG N N 118.340 . 1 346 466 33 ARG NE N 84.280 . 1 347 467 34 ASP H H 8.124 . 1 348 467 34 ASP HA H 4.446 . 1 349 467 34 ASP HB2 H 3.132 . 2 350 467 34 ASP HB3 H 2.638 . 2 351 467 34 ASP CA C 52.790 . 1 352 467 34 ASP CB C 36.200 . 1 353 467 34 ASP N N 117.310 . 1 354 468 35 LEU H H 8.280 . 1 355 468 35 LEU HA H 4.448 . 1 356 468 35 LEU HB2 H 1.620 . 2 357 468 35 LEU HB3 H 1.530 . 2 358 468 35 LEU HG H 1.584 . 1 359 468 35 LEU HD1 H 0.767 . 2 360 468 35 LEU HD2 H 0.910 . 2 361 468 35 LEU CA C 52.600 . 1 362 468 35 LEU CB C 42.100 . 1 363 468 35 LEU CG C 24.100 . 1 364 468 35 LEU CD1 C 24.200 . 1 365 468 35 LEU CD2 C 20.400 . 1 366 468 35 LEU N N 114.850 . 1 367 469 36 ILE H H 7.087 . 1 368 469 36 ILE HA H 4.999 . 1 369 469 36 ILE HB H 1.694 . 1 370 469 36 ILE HG12 H 1.655 . 1 371 469 36 ILE HG13 H 2.030 . 1 372 469 36 ILE HG2 H 0.844 . 1 373 469 36 ILE HD1 H 0.874 . 1 374 469 36 ILE CA C 55.200 . 1 375 469 36 ILE CB C 39.800 . 1 376 469 36 ILE CG1 C 26.455 . 1 377 469 36 ILE CG2 C 13.800 . 1 378 469 36 ILE CD1 C 10.800 . 1 379 469 36 ILE N N 114.559 . 1 380 470 37 MET H H 9.480 . 1 381 470 37 MET HA H 4.554 . 1 382 470 37 MET HB2 H 2.309 . 2 383 470 37 MET HB3 H 2.085 . 2 384 470 37 MET HG2 H 2.735 . 2 385 470 37 MET HG3 H 2.590 . 2 386 470 37 MET HE H 2.034 . 1 387 470 37 MET CA C 52.032 . 1 388 470 37 MET CB C 31.250 . 1 389 470 37 MET CG C 29.970 . 1 390 470 37 MET CE C 14.970 . 1 391 470 37 MET N N 126.036 . 1 392 471 38 LYS H H 9.070 . 1 393 471 38 LYS HA H 3.865 . 1 394 471 38 LYS HB2 H 1.867 . 2 395 471 38 LYS HB3 H 1.867 . 2 396 471 38 LYS HG2 H 1.410 . 2 397 471 38 LYS HG3 H 1.410 . 2 398 471 38 LYS HD2 H 1.634 . 2 399 471 38 LYS HE2 H 4.200 . 2 400 471 38 LYS CA C 57.690 . 1 401 471 38 LYS CB C 29.444 . 1 402 471 38 LYS CG C 22.000 . 1 403 471 38 LYS CD C 26.400 . 1 404 471 38 LYS CE C 39.400 . 1 405 471 38 LYS N N 124.800 . 1 406 472 39 GLU H H 9.450 . 1 407 472 39 GLU HA H 4.089 . 1 408 472 39 GLU HB2 H 1.952 . 2 409 472 39 GLU HB3 H 1.952 . 2 410 472 39 GLU HG2 H 2.318 . 2 411 472 39 GLU HG3 H 2.318 . 2 412 472 39 GLU CA C 57.470 . 1 413 472 39 GLU CB C 26.200 . 1 414 472 39 GLU CG C 33.901 . 1 415 472 39 GLU N N 117.380 . 1 416 473 40 ASP H H 6.992 . 1 417 473 40 ASP HA H 4.738 . 1 418 473 40 ASP HB2 H 2.601 . 2 419 473 40 ASP HB3 H 2.787 . 2 420 473 40 ASP CA C 54.530 . 1 421 473 40 ASP CB C 38.300 . 1 422 473 40 ASP N N 118.959 . 1 423 474 41 TYR H H 8.420 . 1 424 474 41 TYR HA H 3.904 . 1 425 474 41 TYR HB2 H 3.521 . 2 426 474 41 TYR HB3 H 2.752 . 2 427 474 41 TYR HD1 H 6.900 . 3 428 474 41 TYR HE1 H 6.780 . 3 429 474 41 TYR CA C 59.190 . 1 430 474 41 TYR CB C 35.800 . 1 431 474 41 TYR CD1 C 130.100 . 3 432 474 41 TYR CE1 C 116.100 . 3 433 474 41 TYR N N 122.900 . 1 434 475 42 GLU H H 8.701 . 1 435 475 42 GLU HA H 4.009 . 1 436 475 42 GLU HB2 H 2.104 . 2 437 475 42 GLU HB3 H 2.104 . 2 438 475 42 GLU HG2 H 2.519 . 2 439 475 42 GLU HG3 H 2.386 . 2 440 475 42 GLU CA C 56.514 . 1 441 475 42 GLU CB C 26.218 . 1 442 475 42 GLU CG C 33.200 . 1 443 475 42 GLU N N 120.500 . 1 444 476 43 LEU H H 7.824 . 1 445 476 43 LEU HA H 4.005 . 1 446 476 43 LEU HB2 H 1.927 . 2 447 476 43 LEU HB3 H 1.625 . 2 448 476 43 LEU HG H 1.599 . 1 449 476 43 LEU HD1 H 0.890 . 2 450 476 43 LEU HD2 H 0.850 . 2 451 476 43 LEU CA C 55.312 . 1 452 476 43 LEU CB C 39.650 . 1 453 476 43 LEU CG C 24.600 . 1 454 476 43 LEU CD1 C 21.500 . 1 455 476 43 LEU CD2 C 21.800 . 1 456 476 43 LEU N N 121.480 . 1 457 477 44 VAL H H 7.710 . 1 458 477 44 VAL HA H 3.386 . 1 459 477 44 VAL HB H 2.041 . 1 460 477 44 VAL HG1 H 0.947 . 2 461 477 44 VAL HG2 H 0.948 . 2 462 477 44 VAL CA C 64.061 . 1 463 477 44 VAL CB C 29.283 . 1 464 477 44 VAL CG1 C 19.000 . 1 465 477 44 VAL CG2 C 20.200 . 1 466 477 44 VAL N N 116.180 . 1 467 478 45 SER H H 7.988 . 1 468 478 45 SER HA H 3.828 . 1 469 478 45 SER HB2 H 3.808 . 2 470 478 45 SER HB3 H 3.554 . 2 471 478 45 SER CA C 59.060 . 1 472 478 45 SER CB C 60.756 . 1 473 478 45 SER N N 110.623 . 1 474 479 46 THR H H 7.580 . 1 475 479 46 THR HA H 4.304 . 1 476 479 46 THR HB H 4.421 . 1 477 479 46 THR HG2 H 1.289 . 1 478 479 46 THR CA C 59.241 . 1 479 479 46 THR CB C 67.300 . 1 480 479 46 THR CG2 C 18.740 . 1 481 479 46 THR N N 107.485 . 1 482 480 47 LYS H H 7.265 . 1 483 480 47 LYS HA H 4.459 . 1 484 480 47 LYS HB2 H 2.029 . 2 485 480 47 LYS HB3 H 1.880 . 2 486 480 47 LYS HG2 H 2.085 . 2 487 480 47 LYS HG3 H 1.400 . 2 488 480 47 LYS HD2 H 1.794 . 2 489 480 47 LYS HD3 H 1.586 . 2 490 480 47 LYS HE2 H 2.820 . 2 491 480 47 LYS HE3 H 2.820 . 2 492 480 47 LYS CA C 50.750 . 1 493 480 47 LYS CB C 27.230 . 1 494 480 47 LYS CG C 21.100 . 1 495 480 47 LYS CD C 25.200 . 1 496 480 47 LYS CE C 39.900 . 1 497 480 47 LYS N N 123.730 . 1 498 481 48 PRO HA H 4.418 . 1 499 481 48 PRO HB2 H 2.087 . 2 500 481 48 PRO HB3 H 2.319 . 2 501 481 48 PRO HG2 H 2.029 . 2 502 481 48 PRO HG3 H 2.140 . 2 503 481 48 PRO HD2 H 3.768 . 2 504 481 48 PRO HD3 H 3.768 . 2 505 481 48 PRO CA C 62.560 . 1 506 481 48 PRO CB C 30.200 . 1 507 481 48 PRO CG C 24.800 . 1 508 481 48 PRO CD C 47.600 . 1 509 482 49 THR H H 6.983 . 1 510 482 49 THR HA H 4.823 . 1 511 482 49 THR HB H 4.577 . 1 512 482 49 THR HG2 H 1.200 . 1 513 482 49 THR CA C 55.500 . 1 514 482 49 THR CB C 70.400 . 1 515 482 49 THR CG2 C 19.100 . 1 516 482 49 THR N N 106.170 . 1 517 483 50 ARG H H 9.018 . 1 518 483 50 ARG HA H 3.781 . 1 519 483 50 ARG HB2 H 1.889 . 2 520 483 50 ARG HB3 H 1.990 . 2 521 483 50 ARG HG2 H 1.696 . 2 522 483 50 ARG HG3 H 1.285 . 2 523 483 50 ARG HD2 H 3.060 . 2 524 483 50 ARG HE H 7.409 . 1 525 483 50 ARG CA C 58.230 . 1 526 483 50 ARG CB C 27.200 . 1 527 483 50 ARG CG C 22.900 . 1 528 483 50 ARG CD C 39.800 . 1 529 483 50 ARG N N 123.800 . 1 530 483 50 ARG NE N 81.520 . 1 531 484 51 THR H H 8.145 . 1 532 484 51 THR HA H 3.821 . 1 533 484 51 THR HB H 3.971 . 1 534 484 51 THR HG2 H 1.284 . 1 535 484 51 THR CA C 63.278 . 1 536 484 51 THR CB C 65.820 . 1 537 484 51 THR CG2 C 19.800 . 1 538 484 51 THR N N 108.160 . 1 539 485 52 SER H H 7.543 . 1 540 485 52 SER HA H 4.189 . 1 541 485 52 SER HB2 H 3.890 . 2 542 485 52 SER HB3 H 3.890 . 2 543 485 52 SER CA C 58.989 . 1 544 485 52 SER CB C 60.450 . 1 545 485 52 SER N N 115.791 . 1 546 486 53 LYS H H 8.357 . 1 547 486 53 LYS HA H 4.034 . 1 548 486 53 LYS HB2 H 2.049 . 2 549 486 53 LYS HB3 H 1.614 . 2 550 486 53 LYS HG2 H 1.553 . 2 551 486 53 LYS HG3 H 1.913 . 2 552 486 53 LYS HD2 H 1.516 . 2 553 486 53 LYS HD3 H 1.317 . 2 554 486 53 LYS HE2 H 2.820 . 2 555 486 53 LYS HE3 H 2.820 . 2 556 486 53 LYS CA C 58.178 . 1 557 486 53 LYS CB C 32.280 . 1 558 486 53 LYS CG C 22.848 . 1 559 486 53 LYS CD C 28.200 . 1 560 486 53 LYS CE C 39.900 . 1 561 486 53 LYS N N 124.912 . 1 562 487 54 VAL H H 8.490 . 1 563 487 54 VAL HA H 3.395 . 1 564 487 54 VAL HB H 2.163 . 1 565 487 54 VAL HG1 H 1.190 . 2 566 487 54 VAL HG2 H 0.993 . 2 567 487 54 VAL CA C 64.391 . 1 568 487 54 VAL CB C 29.200 . 1 569 487 54 VAL CG1 C 20.678 . 1 570 487 54 VAL CG2 C 21.470 . 1 571 487 54 VAL N N 118.360 . 1 572 488 55 ARG H H 8.548 . 1 573 488 55 ARG HA H 3.590 . 1 574 488 55 ARG HB2 H 1.837 . 2 575 488 55 ARG HB3 H 1.837 . 2 576 488 55 ARG HG2 H 1.623 . 2 577 488 55 ARG HG3 H 1.623 . 2 578 488 55 ARG HD2 H 3.072 . 2 579 488 55 ARG HD3 H 3.300 . 2 580 488 55 ARG HE H 7.347 . 1 581 488 55 ARG CA C 58.171 . 1 582 488 55 ARG CB C 27.000 . 1 583 488 55 ARG CG C 25.500 . 1 584 488 55 ARG CD C 40.200 . 1 585 488 55 ARG N N 118.620 . 1 586 488 55 ARG NE N 82.950 . 1 587 489 56 GLN H H 7.747 . 1 588 489 56 GLN HA H 4.000 . 1 589 489 56 GLN HB2 H 2.326 . 2 590 489 56 GLN HB3 H 2.180 . 2 591 489 56 GLN HG2 H 2.183 . 2 592 489 56 GLN HG3 H 2.070 . 2 593 489 56 GLN HE21 H 7.617 . 2 594 489 56 GLN HE22 H 7.260 . 2 595 489 56 GLN CA C 55.366 . 1 596 489 56 GLN CB C 25.180 . 1 597 489 56 GLN CG C 31.000 . 1 598 489 56 GLN N N 117.242 . 1 599 489 56 GLN NE2 N 116.880 . 1 600 490 57 LEU H H 8.520 . 1 601 490 57 LEU HA H 4.012 . 1 602 490 57 LEU HB2 H 1.426 . 2 603 490 57 LEU HB3 H 2.316 . 2 604 490 57 LEU HG H 1.570 . 1 605 490 57 LEU HD1 H 0.790 . 2 606 490 57 LEU HD2 H 0.900 . 2 607 490 57 LEU CA C 55.600 . 1 608 490 57 LEU CB C 38.600 . 1 609 490 57 LEU CG C 24.300 . 1 610 490 57 LEU CD1 C 23.200 . 1 611 490 57 LEU CD2 C 20.400 . 1 612 490 57 LEU N N 122.700 . 1 613 491 58 LEU H H 8.650 . 1 614 491 58 LEU HA H 4.066 . 1 615 491 58 LEU HB2 H 1.362 . 2 616 491 58 LEU HB3 H 1.872 . 2 617 491 58 LEU HG H 2.030 . 1 618 491 58 LEU HD1 H 0.795 . 2 619 491 58 LEU HD2 H 0.794 . 2 620 491 58 LEU CA C 55.131 . 1 621 491 58 LEU CB C 36.900 . 1 622 491 58 LEU CG C 23.600 . 1 623 491 58 LEU CD1 C 24.400 . 1 624 491 58 LEU CD2 C 18.400 . 1 625 491 58 LEU N N 120.360 . 1 626 492 59 ASP H H 8.630 . 1 627 492 59 ASP HA H 4.412 . 1 628 492 59 ASP HB2 H 2.698 . 2 629 492 59 ASP HB3 H 2.698 . 2 630 492 59 ASP CA C 54.498 . 1 631 492 59 ASP CB C 37.126 . 1 632 492 59 ASP N N 123.300 . 1 633 493 60 THR H H 8.014 . 1 634 493 60 THR HA H 3.882 . 1 635 493 60 THR HB H 4.290 . 1 636 493 60 THR HG2 H 1.065 . 1 637 493 60 THR CA C 63.400 . 1 638 493 60 THR CB C 66.060 . 1 639 493 60 THR CG2 C 19.740 . 1 640 493 60 THR N N 117.307 . 1 641 494 61 THR H H 7.956 . 1 642 494 61 THR HA H 3.328 . 1 643 494 61 THR HB H 4.420 . 1 644 494 61 THR HG2 H 1.330 . 1 645 494 61 THR CA C 63.940 . 1 646 494 61 THR CB C 65.600 . 1 647 494 61 THR CG2 C 19.250 . 1 648 494 61 THR N N 119.670 . 1 649 495 62 ASP H H 7.500 . 1 650 495 62 ASP HA H 4.336 . 1 651 495 62 ASP HB2 H 2.775 . 2 652 495 62 ASP HB3 H 2.585 . 2 653 495 62 ASP CA C 54.325 . 1 654 495 62 ASP CB C 38.011 . 1 655 495 62 ASP N N 119.750 . 1 656 496 63 ILE H H 6.970 . 1 657 496 63 ILE HA H 4.000 . 1 658 496 63 ILE HB H 1.895 . 1 659 496 63 ILE HG12 H 1.450 . 1 660 496 63 ILE HG13 H 1.140 . 1 661 496 63 ILE HG2 H 0.800 . 1 662 496 63 ILE HD1 H 0.760 . 1 663 496 63 ILE CA C 59.300 . 1 664 496 63 ILE CB C 35.910 . 1 665 496 63 ILE CG1 C 25.030 . 1 666 496 63 ILE CG2 C 15.050 . 1 667 496 63 ILE CD1 C 10.200 . 1 668 496 63 ILE N N 115.200 . 1 669 497 64 GLN H H 7.708 . 1 670 497 64 GLN HA H 4.162 . 1 671 497 64 GLN HB2 H 2.022 . 2 672 497 64 GLN HB3 H 0.983 . 2 673 497 64 GLN HG2 H 2.130 . 2 674 497 64 GLN HG3 H 1.790 . 2 675 497 64 GLN HE21 H 7.351 . 2 676 497 64 GLN HE22 H 6.910 . 2 677 497 64 GLN CA C 53.299 . 1 678 497 64 GLN CB C 27.000 . 1 679 497 64 GLN CG C 30.600 . 1 680 497 64 GLN N N 117.979 . 1 681 497 64 GLN NE2 N 113.093 . 1 682 498 65 GLY H H 8.170 . 1 683 498 65 GLY HA2 H 4.350 . 2 684 498 65 GLY HA3 H 3.960 . 2 685 498 65 GLY CA C 42.752 . 1 686 498 65 GLY N N 106.700 . 1 687 499 66 GLU H H 8.350 . 1 688 499 66 GLU HA H 4.584 . 1 689 499 66 GLU HB2 H 2.177 . 2 690 499 66 GLU HB3 H 1.827 . 2 691 499 66 GLU HG2 H 2.493 . 2 692 499 66 GLU HG3 H 2.122 . 2 693 499 66 GLU CA C 55.940 . 1 694 499 66 GLU CB C 27.300 . 1 695 499 66 GLU CG C 31.380 . 1 696 499 66 GLU N N 121.150 . 1 697 500 67 GLU H H 8.689 . 1 698 500 67 GLU HA H 3.960 . 1 699 500 67 GLU HB2 H 2.085 . 2 700 500 67 GLU HB3 H 2.085 . 2 701 500 67 GLU HG2 H 2.390 . 2 702 500 67 GLU HG3 H 2.390 . 2 703 500 67 GLU CA C 57.000 . 1 704 500 67 GLU CB C 26.000 . 1 705 500 67 GLU CG C 33.500 . 1 706 500 67 GLU N N 118.263 . 1 707 501 68 PHE H H 7.650 . 1 708 501 68 PHE HA H 3.929 . 1 709 501 68 PHE HB2 H 2.919 . 2 710 501 68 PHE HB3 H 3.565 . 2 711 501 68 PHE HD2 H 7.190 . 3 712 501 68 PHE CA C 57.200 . 1 713 501 68 PHE CB C 37.957 . 1 714 501 68 PHE CD2 C 130.470 . 3 715 501 68 PHE N N 120.800 . 1 716 502 69 ALA H H 7.967 . 1 717 502 69 ALA HA H 3.923 . 1 718 502 69 ALA HB H 1.394 . 1 719 502 69 ALA CA C 52.616 . 1 720 502 69 ALA CB C 16.200 . 1 721 502 69 ALA N N 118.900 . 1 722 503 70 LYS H H 8.790 . 1 723 503 70 LYS HA H 3.502 . 1 724 503 70 LYS HB2 H 1.896 . 2 725 503 70 LYS HB3 H 1.756 . 2 726 503 70 LYS HG2 H 1.825 . 2 727 503 70 LYS HG3 H 1.249 . 2 728 503 70 LYS HD2 H 1.750 . 2 729 503 70 LYS HD3 H 1.690 . 2 730 503 70 LYS HE2 H 2.937 . 2 731 503 70 LYS HE3 H 2.937 . 2 732 503 70 LYS CA C 58.100 . 1 733 503 70 LYS CB C 30.300 . 1 734 503 70 LYS CG C 24.270 . 1 735 503 70 LYS CD C 27.300 . 1 736 503 70 LYS CE C 39.400 . 1 737 503 70 LYS N N 116.851 . 1 738 504 71 VAL H H 7.174 . 1 739 504 71 VAL HA H 3.498 . 1 740 504 71 VAL HB H 2.073 . 1 741 504 71 VAL HG1 H 0.695 . 2 742 504 71 VAL HG2 H 0.910 . 2 743 504 71 VAL CA C 63.600 . 1 744 504 71 VAL CB C 29.000 . 1 745 504 71 VAL CG1 C 19.520 . 1 746 504 71 VAL CG2 C 20.550 . 1 747 504 71 VAL N N 118.460 . 1 748 505 72 ILE H H 6.938 . 1 749 505 72 ILE HA H 3.510 . 1 750 505 72 ILE HB H 2.030 . 1 751 505 72 ILE HG12 H 1.630 . 1 752 505 72 ILE HG13 H 0.887 . 1 753 505 72 ILE HG2 H 0.796 . 1 754 505 72 ILE HD1 H 0.815 . 1 755 505 72 ILE CA C 62.100 . 1 756 505 72 ILE CB C 35.200 . 1 757 505 72 ILE CG1 C 26.600 . 1 758 505 72 ILE CG2 C 14.090 . 1 759 505 72 ILE CD1 C 12.000 . 1 760 505 72 ILE N N 118.600 . 1 761 506 73 VAL H H 8.194 . 1 762 506 73 VAL HA H 3.420 . 1 763 506 73 VAL HB H 1.843 . 1 764 506 73 VAL HG1 H 1.090 . 2 765 506 73 VAL HG2 H 0.395 . 2 766 506 73 VAL CA C 65.000 . 1 767 506 73 VAL CB C 28.790 . 1 768 506 73 VAL CG1 C 21.580 . 1 769 506 73 VAL CG2 C 18.900 . 1 770 506 73 VAL N N 117.817 . 1 771 507 74 GLN H H 7.972 . 1 772 507 74 GLN HA H 3.632 . 1 773 507 74 GLN HB2 H 2.077 . 2 774 507 74 GLN HB3 H 2.077 . 2 775 507 74 GLN HG2 H 2.280 . 2 776 507 74 GLN HG3 H 2.280 . 2 777 507 74 GLN HE21 H 7.770 . 2 778 507 74 GLN HE22 H 6.668 . 2 779 507 74 GLN CA C 55.932 . 1 780 507 74 GLN CB C 25.700 . 1 781 507 74 GLN CG C 30.909 . 1 782 507 74 GLN N N 117.151 . 1 783 507 74 GLN NE2 N 114.800 . 1 784 508 75 LYS H H 8.166 . 1 785 508 75 LYS HA H 4.051 . 1 786 508 75 LYS HB2 H 2.099 . 2 787 508 75 LYS HB3 H 1.592 . 2 788 508 75 LYS HG2 H 1.684 . 2 789 508 75 LYS HG3 H 1.213 . 2 790 508 75 LYS HD2 H 1.493 . 2 791 508 75 LYS HD3 H 1.650 . 2 792 508 75 LYS HE2 H 2.710 . 2 793 508 75 LYS HE3 H 2.690 . 2 794 508 75 LYS CA C 54.643 . 1 795 508 75 LYS CB C 27.400 . 1 796 508 75 LYS CG C 21.000 . 1 797 508 75 LYS CD C 24.400 . 1 798 508 75 LYS CE C 39.299 . 1 799 508 75 LYS N N 117.073 . 1 800 509 76 LEU H H 8.424 . 1 801 509 76 LEU HA H 4.134 . 1 802 509 76 LEU HB2 H 2.343 . 2 803 509 76 LEU HB3 H 2.075 . 2 804 509 76 LEU HG H 1.831 . 1 805 509 76 LEU HD1 H 1.103 . 2 806 509 76 LEU HD2 H 1.048 . 2 807 509 76 LEU CA C 56.565 . 1 808 509 76 LEU CB C 39.300 . 1 809 509 76 LEU CG C 24.000 . 1 810 509 76 LEU CD1 C 24.500 . 1 811 509 76 LEU CD2 C 21.300 . 1 812 509 76 LEU N N 124.643 . 1 813 510 77 LYS H H 7.679 . 1 814 510 77 LYS HA H 3.224 . 1 815 510 77 LYS HB2 H 1.508 . 2 816 510 77 LYS HB3 H 1.086 . 2 817 510 77 LYS HG2 H 0.650 . 2 818 510 77 LYS HG3 H 0.650 . 2 819 510 77 LYS HD2 H 1.156 . 2 820 510 77 LYS HD3 H 1.156 . 2 821 510 77 LYS HE2 H 2.345 . 2 822 510 77 LYS HE3 H 2.074 . 2 823 510 77 LYS CA C 57.324 . 1 824 510 77 LYS CB C 29.300 . 1 825 510 77 LYS CG C 22.066 . 1 826 510 77 LYS CD C 26.900 . 1 827 510 77 LYS CE C 39.300 . 1 828 510 77 LYS N N 120.290 . 1 829 511 78 ASP H H 9.040 . 1 830 511 78 ASP HA H 4.268 . 1 831 511 78 ASP HB2 H 2.688 . 2 832 511 78 ASP HB3 H 2.688 . 2 833 511 78 ASP CA C 54.300 . 1 834 511 78 ASP CB C 37.850 . 1 835 511 78 ASP N N 122.467 . 1 836 512 79 ASN H H 7.687 . 1 837 512 79 ASN HA H 4.548 . 1 838 512 79 ASN HB2 H 2.820 . 2 839 512 79 ASN HB3 H 2.870 . 2 840 512 79 ASN HD21 H 7.823 . 2 841 512 79 ASN HD22 H 7.465 . 2 842 512 79 ASN CA C 51.844 . 1 843 512 79 ASN CB C 36.500 . 1 844 512 79 ASN N N 116.669 . 1 845 512 79 ASN ND2 N 113.235 . 1 846 513 80 LYS H H 8.210 . 1 847 513 80 LYS HA H 3.816 . 1 848 513 80 LYS HB2 H 1.940 . 2 849 513 80 LYS HB3 H 1.696 . 2 850 513 80 LYS HG2 H 1.341 . 2 851 513 80 LYS HG3 H 1.341 . 2 852 513 80 LYS HD2 H 1.970 . 2 853 513 80 LYS HD3 H 1.970 . 2 854 513 80 LYS HE2 H 2.990 . 2 855 513 80 LYS HE3 H 3.000 . 2 856 513 80 LYS CA C 54.310 . 1 857 513 80 LYS CB C 26.500 . 1 858 513 80 LYS CG C 22.370 . 1 859 513 80 LYS CD C 26.200 . 1 860 513 80 LYS CE C 39.600 . 1 861 513 80 LYS N N 116.647 . 1 862 514 81 GLN H H 7.468 . 1 863 514 81 GLN HA H 4.571 . 1 864 514 81 GLN HB2 H 2.200 . 2 865 514 81 GLN HB3 H 2.110 . 2 866 514 81 GLN HG2 H 2.219 . 2 867 514 81 GLN HG3 H 2.539 . 2 868 514 81 GLN HE21 H 7.382 . 2 869 514 81 GLN HE22 H 6.886 . 2 870 514 81 GLN CA C 53.759 . 1 871 514 81 GLN CB C 22.400 . 1 872 514 81 GLN CG C 32.300 . 1 873 514 81 GLN N N 118.000 . 1 874 514 81 GLN NE2 N 106.000 . 1 875 515 82 MET H H 8.450 . 1 876 515 82 MET HA H 4.458 . 1 877 515 82 MET HB2 H 2.180 . 2 878 515 82 MET HB3 H 2.150 . 2 879 515 82 MET HG2 H 2.819 . 2 880 515 82 MET HG3 H 2.540 . 2 881 515 82 MET HE H 2.080 . 1 882 515 82 MET CA C 54.240 . 1 883 515 82 MET CB C 28.327 . 1 884 515 82 MET CG C 29.600 . 1 885 515 82 MET CE C 14.203 . 1 886 515 82 MET N N 124.250 . 1 887 516 83 GLY H H 8.769 . 1 888 516 83 GLY HA2 H 4.084 . 2 889 516 83 GLY HA3 H 4.084 . 2 890 516 83 GLY CA C 43.860 . 1 891 516 83 GLY N N 109.140 . 1 892 517 84 LEU H H 6.860 . 1 893 517 84 LEU HA H 4.378 . 1 894 517 84 LEU HB2 H 1.745 . 2 895 517 84 LEU HB3 H 1.745 . 2 896 517 84 LEU HG H 1.036 . 1 897 517 84 LEU HD1 H 1.543 . 2 898 517 84 LEU HD2 H 0.490 . 2 899 517 84 LEU CA C 50.888 . 1 900 517 84 LEU CB C 39.460 . 1 901 517 84 LEU CG C 26.300 . 1 902 517 84 LEU CD1 C 24.000 . 1 903 517 84 LEU CD2 C 21.600 . 1 904 517 84 LEU N N 117.998 . 1 905 518 85 GLN H H 7.053 . 1 906 518 85 GLN HA H 3.812 . 1 907 518 85 GLN HB2 H 2.229 . 2 908 518 85 GLN HB3 H 2.118 . 2 909 518 85 GLN HG2 H 2.540 . 2 910 518 85 GLN HG3 H 2.540 . 2 911 518 85 GLN HE21 H 6.973 . 2 912 518 85 GLN HE22 H 7.491 . 2 913 518 85 GLN CA C 52.690 . 1 914 518 85 GLN CB C 25.307 . 1 915 518 85 GLN CG C 31.473 . 1 916 518 85 GLN N N 116.860 . 1 917 518 85 GLN NE2 N 111.429 . 1 918 519 86 PRO HA H 4.695 . 1 919 519 86 PRO HB2 H 2.105 . 2 920 519 86 PRO HB3 H 2.429 . 2 921 519 86 PRO HG2 H 1.979 . 2 922 519 86 PRO HG3 H 2.000 . 2 923 519 86 PRO CA C 59.056 . 1 924 519 86 PRO CB C 31.900 . 1 925 519 86 PRO CG C 21.900 . 1 926 519 86 PRO CD C 48.237 . 1 927 520 87 TYR H H 8.734 . 1 928 520 87 TYR HA H 4.000 . 1 929 520 87 TYR HB2 H 2.522 . 2 930 520 87 TYR HB3 H 2.522 . 2 931 520 87 TYR HD1 H 6.640 . 3 932 520 87 TYR HE1 H 6.632 . 3 933 520 87 TYR CA C 55.057 . 1 934 520 87 TYR CB C 35.253 . 1 935 520 87 TYR CD1 C 129.636 . 3 936 520 87 TYR CE1 C 115.500 . 3 937 520 87 TYR N N 122.730 . 1 938 521 88 PRO HA H 4.429 . 1 939 521 88 PRO HB2 H 1.993 . 2 940 521 88 PRO HB3 H 1.536 . 2 941 521 88 PRO HG2 H 1.307 . 2 942 521 88 PRO HG3 H 1.430 . 2 943 521 88 PRO HD2 H 1.432 . 2 944 521 88 PRO HD3 H 2.641 . 2 945 521 88 PRO CA C 59.760 . 1 946 521 88 PRO CB C 28.680 . 1 947 521 88 PRO CG C 24.100 . 1 948 521 88 PRO CD C 45.200 . 1 949 522 89 GLU H H 8.537 . 1 950 522 89 GLU HA H 4.165 . 1 951 522 89 GLU HB2 H 1.912 . 2 952 522 89 GLU HB3 H 1.912 . 2 953 522 89 GLU HG2 H 2.188 . 2 954 522 89 GLU HG3 H 2.188 . 2 955 522 89 GLU CA C 53.698 . 1 956 522 89 GLU CB C 26.800 . 1 957 522 89 GLU CG C 33.100 . 1 958 522 89 GLU N N 122.867 . 1 959 523 90 ILE H H 7.855 . 1 960 523 90 ILE HA H 4.155 . 1 961 523 90 ILE HB H 1.795 . 1 962 523 90 ILE HG12 H 1.027 . 1 963 523 90 ILE HG13 H 1.310 . 1 964 523 90 ILE HG2 H 0.790 . 1 965 523 90 ILE HD1 H 0.716 . 1 966 523 90 ILE CA C 57.739 . 1 967 523 90 ILE CB C 36.157 . 1 968 523 90 ILE CG1 C 24.170 . 1 969 523 90 ILE CG2 C 15.266 . 1 970 523 90 ILE CD1 C 10.420 . 1 971 523 90 ILE N N 121.378 . 1 972 524 91 LEU H H 8.180 . 1 973 524 91 LEU HA H 4.377 . 1 974 524 91 LEU HB2 H 1.529 . 2 975 524 91 LEU HB3 H 1.529 . 2 976 524 91 LEU HG H 1.480 . 1 977 524 91 LEU HD1 H 0.835 . 2 978 524 91 LEU HD2 H 0.796 . 2 979 524 91 LEU CA C 52.140 . 1 980 524 91 LEU CB C 39.900 . 1 981 524 91 LEU CG C 24.444 . 1 982 524 91 LEU CD1 C 22.170 . 1 983 524 91 LEU CD2 C 21.100 . 1 984 524 91 LEU N N 126.000 . 1 985 525 92 VAL H H 8.140 . 1 986 525 92 VAL HA H 4.072 . 1 987 525 92 VAL HB H 1.972 . 1 988 525 92 VAL HG1 H 0.850 . 2 989 525 92 VAL HG2 H 0.830 . 2 990 525 92 VAL CA C 59.524 . 1 991 525 92 VAL CB C 30.131 . 1 992 525 92 VAL CG1 C 18.000 . 1 993 525 92 VAL CG2 C 18.400 . 1 994 525 92 VAL N N 122.730 . 1 995 526 93 VAL H H 8.210 . 1 996 526 93 VAL HA H 4.105 . 1 997 526 93 VAL HB H 2.012 . 1 998 526 93 VAL HG1 H 0.880 . 2 999 526 93 VAL HG2 H 0.870 . 2 1000 526 93 VAL CA C 59.400 . 1 1001 526 93 VAL CB C 30.156 . 1 1002 526 93 VAL CG1 C 17.800 . 1 1003 526 93 VAL CG2 C 18.400 . 1 1004 526 93 VAL N N 124.850 . 1 1005 527 94 SER H H 8.366 . 1 1006 527 94 SER HA H 4.406 . 1 1007 527 94 SER HB2 H 3.784 . 2 1008 527 94 SER HB3 H 3.784 . 2 1009 527 94 SER CA C 55.422 . 1 1010 527 94 SER CB C 61.182 . 1 1011 527 94 SER N N 120.332 . 1 1012 528 95 ARG H H 8.344 . 1 1013 528 95 ARG HA H 4.362 . 1 1014 528 95 ARG HB2 H 1.818 . 2 1015 528 95 ARG HB3 H 1.700 . 2 1016 528 95 ARG HG2 H 1.600 . 2 1017 528 95 ARG HG3 H 1.590 . 2 1018 528 95 ARG HD2 H 3.150 . 2 1019 528 95 ARG CA C 53.172 . 1 1020 528 95 ARG CB C 28.320 . 1 1021 528 95 ARG CG C 24.432 . 1 1022 528 95 ARG CD C 40.678 . 1 1023 528 95 ARG N N 123.446 . 1 1024 529 96 SER H H 8.340 . 1 1025 529 96 SER HA H 4.365 . 1 1026 529 96 SER HB2 H 3.816 . 2 1027 529 96 SER HB3 H 3.816 . 2 1028 529 96 SER CA C 53.113 . 1 1029 529 96 SER CB C 60.720 . 1 1030 529 96 SER N N 118.880 . 1 1031 530 97 PRO HA H 4.417 . 1 1032 530 97 PRO HB2 H 2.260 . 2 1033 530 97 PRO HB3 H 1.930 . 2 1034 530 97 PRO HG2 H 1.990 . 2 1035 530 97 PRO HG3 H 1.990 . 2 1036 530 97 PRO HD2 H 3.734 . 2 1037 530 97 PRO HD3 H 3.734 . 2 1038 530 97 PRO CA C 60.867 . 1 1039 530 97 PRO CB C 29.400 . 1 1040 530 97 PRO CG C 24.572 . 1 1041 530 97 PRO CD C 48.194 . 1 1042 531 98 SER H H 8.221 . 1 1043 531 98 SER HA H 4.366 . 1 1044 531 98 SER HB2 H 3.820 . 2 1045 531 98 SER HB3 H 3.820 . 2 1046 531 98 SER CA C 55.740 . 1 1047 531 98 SER CB C 60.900 . 1 1048 531 98 SER N N 115.580 . 1 1049 532 99 LEU H H 8.134 . 1 1050 532 99 LEU HA H 4.285 . 1 1051 532 99 LEU HB2 H 1.590 . 2 1052 532 99 LEU HB3 H 1.590 . 2 1053 532 99 LEU HG H 1.581 . 1 1054 532 99 LEU HD1 H 0.890 . 2 1055 532 99 LEU HD2 H 0.825 . 2 1056 532 99 LEU CA C 52.818 . 1 1057 532 99 LEU CB C 39.687 . 1 1058 532 99 LEU CG C 24.304 . 1 1059 532 99 LEU CD1 C 22.200 . 1 1060 532 99 LEU CD2 C 20.800 . 1 1061 532 99 LEU N N 124.050 . 1 1062 533 100 ASN H H 8.309 . 1 1063 533 100 ASN HA H 4.622 . 1 1064 533 100 ASN HB2 H 2.694 . 2 1065 533 100 ASN HB3 H 2.800 . 2 1066 533 100 ASN HD21 H 7.540 . 2 1067 533 100 ASN HD22 H 6.850 . 2 1068 533 100 ASN CA C 50.635 . 1 1069 533 100 ASN CB C 35.900 . 1 1070 533 100 ASN N N 119.267 . 1 1071 533 100 ASN ND2 N 112.700 . 1 1072 534 101 LEU H H 8.075 . 1 1073 534 101 LEU HA H 4.270 . 1 1074 534 101 LEU HB2 H 1.600 . 2 1075 534 101 LEU HB3 H 1.620 . 2 1076 534 101 LEU HG H 1.550 . 1 1077 534 101 LEU HD1 H 0.810 . 2 1078 534 101 LEU HD2 H 0.865 . 2 1079 534 101 LEU CA C 52.860 . 1 1080 534 101 LEU CB C 39.600 . 1 1081 534 101 LEU CG C 24.300 . 1 1082 534 101 LEU CD1 C 20.800 . 1 1083 534 101 LEU CD2 C 22.140 . 1 1084 534 101 LEU N N 122.380 . 1 1085 535 102 LEU H H 8.050 . 1 1086 535 102 LEU HA H 4.270 . 1 1087 535 102 LEU HB2 H 1.598 . 2 1088 535 102 LEU HB3 H 1.598 . 2 1089 535 102 LEU HG H 1.570 . 1 1090 535 102 LEU HD1 H 0.900 . 2 1091 535 102 LEU HD2 H 0.820 . 2 1092 535 102 LEU CA C 53.125 . 1 1093 535 102 LEU CB C 39.370 . 1 1094 535 102 LEU CG C 24.200 . 1 1095 535 102 LEU CD1 C 22.300 . 1 1096 535 102 LEU CD2 C 20.700 . 1 1097 535 102 LEU N N 121.792 . 1 1098 536 103 GLN H H 8.116 . 1 1099 536 103 GLN HA H 4.260 . 1 1100 536 103 GLN HB2 H 1.960 . 2 1101 536 103 GLN HG2 H 2.320 . 2 1102 536 103 GLN HG3 H 2.320 . 2 1103 536 103 GLN HE21 H 6.801 . 2 1104 536 103 GLN HE22 H 7.466 . 2 1105 536 103 GLN CA C 53.160 . 1 1106 536 103 GLN CB C 26.700 . 1 1107 536 103 GLN CG C 31.100 . 1 1108 536 103 GLN N N 120.220 . 1 1109 536 103 GLN NE2 N 112.260 . 1 1110 537 104 ASN H H 8.325 . 1 1111 537 104 ASN HA H 4.661 . 1 1112 537 104 ASN HB2 H 2.774 . 2 1113 537 104 ASN HB3 H 2.770 . 2 1114 537 104 ASN HD21 H 7.540 . 2 1115 537 104 ASN HD22 H 6.848 . 2 1116 537 104 ASN CA C 50.700 . 1 1117 537 104 ASN CB C 36.200 . 1 1118 537 104 ASN N N 119.950 . 1 1119 537 104 ASN ND2 N 112.800 . 1 1120 538 105 LYS H H 8.214 . 1 1121 538 105 LYS HA H 4.346 . 1 1122 538 105 LYS HB2 H 1.739 . 2 1123 538 105 LYS HB3 H 1.739 . 2 1124 538 105 LYS HG2 H 1.405 . 2 1125 538 105 LYS HG3 H 1.405 . 2 1126 538 105 LYS CA C 53.600 . 1 1127 538 105 LYS CB C 30.400 . 1 1128 538 105 LYS CG C 21.800 . 1 1129 538 105 LYS CD C 26.400 . 1 1130 538 105 LYS CE C 39.500 . 1 1131 538 105 LYS N N 122.220 . 1 1132 539 106 SER H H 7.952 . 1 1133 539 106 SER HA H 4.226 . 1 1134 539 106 SER CA C 57.300 . 1 1135 539 106 SER CB C 62.240 . 1 1136 539 106 SER N N 123.099 . 1 stop_ save_