data_34179 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the LEDGF/p75 IBD - JPO2 (aa 1-32) complex ; _BMRB_accession_number 34179 _BMRB_flat_file_name bmr34179.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" 829 "13C chemical shifts" 590 "15N chemical shifts" 145 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,LEDGF/p75 IBD-JPO2 M1' _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 15694.933 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 136 _Mol_residue_sequence ; SNAASWETSMDSRLQRIHAE IKNSLKIDNLDVNRCIEALD ELASLQVTMQQAQKHTEMIT TLKKIRRFKVSQVIMEKSTM LYNKFKNMFLVGEGDSVITQ VLNKMELATRYQIPKEVADI FNAPSDDEEFVGFRDD ; 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 105 451 MET 106 452 GLU 107 453 LEU 108 454 ALA 109 455 THR 110 456 ARG 111 457 TYR 112 458 GLN 113 459 ILE 114 460 PRO 115 461 LYS 116 462 GLU 117 463 VAL 118 464 ALA 119 465 ASP 120 466 ILE 121 467 PHE 122 468 ASN 123 469 ALA 124 470 PRO 125 471 SER 126 472 ASP 127 473 ASP 128 474 GLU 129 475 GLU 130 476 PHE 131 477 VAL 132 478 GLY 133 479 PHE 134 480 ARG 135 481 ASP 136 482 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' 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-JPO2 M1, 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 'structure solution' 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_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_HMQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HMQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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 7.0 . 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 '2D 1H-15N HSQC' '2D 1H-13C HMQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D C(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY' 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 4.719 0.00 1 2 340 2 ASN HB2 H 2.818 0.00 2 3 340 2 ASN HB3 H 2.750 0.00 2 4 340 2 ASN C C 174.904 0.00 1 5 340 2 ASN CA C 52.948 0.00 1 6 340 2 ASN CB C 38.864 0.00 1 7 341 3 ALA H H 8.327 0.00 1 8 341 3 ALA HA H 4.149 0.00 1 9 341 3 ALA HB H 1.316 0.00 1 10 341 3 ALA C C 177.561 0.00 1 11 341 3 ALA CA C 52.618 0.00 1 12 341 3 ALA CB C 18.944 0.00 1 13 341 3 ALA N N 124.629 0.01 1 14 342 4 ALA H H 8.242 0.00 1 15 342 4 ALA HA H 4.212 0.00 1 16 342 4 ALA HB H 1.227 0.00 1 17 342 4 ALA C C 178.157 0.00 1 18 342 4 ALA CA C 52.431 0.00 1 19 342 4 ALA CB C 18.760 0.00 1 20 342 4 ALA N N 122.948 0.00 1 21 343 5 SER H H 8.150 0.00 1 22 343 5 SER HA H 4.345 0.00 1 23 343 5 SER HB2 H 3.881 0.00 2 24 343 5 SER HB3 H 3.829 0.00 2 25 343 5 SER C C 174.866 0.00 1 26 343 5 SER CA C 58.515 0.00 1 27 343 5 SER CB C 63.450 0.00 1 28 343 5 SER N N 114.836 0.00 1 29 344 6 TRP H H 8.006 0.00 1 30 344 6 TRP HA H 4.617 0.00 1 31 344 6 TRP HB2 H 3.320 0.00 2 32 344 6 TRP HB3 H 3.320 0.00 2 33 344 6 TRP HD1 H 7.246 0.00 1 34 344 6 TRP HE1 H 10.177 0.00 1 35 344 6 TRP HE3 H 7.582 0.00 1 36 344 6 TRP HZ2 H 7.477 0.00 1 37 344 6 TRP HZ3 H 7.132 0.00 1 38 344 6 TRP HH2 H 7.212 0.00 1 39 344 6 TRP C C 176.827 0.01 1 40 344 6 TRP CA C 57.798 0.00 1 41 344 6 TRP CB C 29.124 0.00 1 42 344 6 TRP CD1 C 127.162 0.00 1 43 344 6 TRP CE3 C 120.669 0.00 1 44 344 6 TRP CZ2 C 114.634 0.00 1 45 344 6 TRP CZ3 C 121.940 0.00 1 46 344 6 TRP CH2 C 124.556 0.00 1 47 344 6 TRP N N 122.355 0.01 1 48 344 6 TRP NE1 N 129.687 0.00 1 49 345 7 GLU H H 8.265 0.00 1 50 345 7 GLU HA H 4.128 0.00 1 51 345 7 GLU HB2 H 1.969 0.00 2 52 345 7 GLU HB3 H 1.882 0.00 2 53 345 7 GLU HG2 H 2.075 0.00 2 54 345 7 GLU HG3 H 2.075 0.00 2 55 345 7 GLU C C 177.305 0.00 1 56 345 7 GLU CA C 57.636 0.00 1 57 345 7 GLU CB C 29.878 0.00 1 58 345 7 GLU CG C 36.089 0.00 1 59 345 7 GLU N N 121.274 0.02 1 60 346 8 THR H H 8.128 0.00 1 61 346 8 THR HA H 4.337 0.00 1 62 346 8 THR HG2 H 1.240 0.00 1 63 346 8 THR C C 175.543 0.00 1 64 346 8 THR CA C 62.583 0.00 1 65 346 8 THR CB C 69.527 0.00 1 66 346 8 THR CG2 C 21.592 0.00 1 67 346 8 THR N N 113.596 0.01 1 68 347 9 SER H H 8.315 0.00 1 69 347 9 SER CA C 59.045 0.00 1 70 347 9 SER CB C 63.664 0.00 1 71 347 9 SER N N 118.226 0.01 1 72 348 10 MET HA H 4.380 0.00 1 73 348 10 MET HB2 H 2.102 0.00 2 74 348 10 MET HB3 H 1.936 0.00 2 75 348 10 MET HG2 H 2.513 0.00 2 76 348 10 MET HG3 H 2.364 0.00 2 77 348 10 MET HE H 2.067 0.00 1 78 348 10 MET C C 177.824 0.00 1 79 348 10 MET CA C 57.059 0.03 1 80 348 10 MET CB C 30.845 0.06 1 81 348 10 MET CG C 32.008 0.00 1 82 348 10 MET CE C 16.617 0.00 1 83 349 11 ASP H H 8.261 0.00 1 84 349 11 ASP HA H 4.412 0.00 1 85 349 11 ASP HB2 H 2.804 0.00 2 86 349 11 ASP HB3 H 2.804 0.00 2 87 349 11 ASP C C 178.125 0.01 1 88 349 11 ASP CA C 58.212 0.07 1 89 349 11 ASP CB C 40.791 0.01 1 90 349 11 ASP N N 118.642 0.02 1 91 350 12 SER H H 7.888 0.00 1 92 350 12 SER HA H 4.194 0.00 1 93 350 12 SER HB2 H 3.901 0.00 2 94 350 12 SER HB3 H 3.901 0.00 2 95 350 12 SER C C 177.215 0.00 1 96 350 12 SER CA C 61.430 0.00 1 97 350 12 SER CB C 62.544 0.03 1 98 350 12 SER N N 114.252 0.01 1 99 351 13 ARG H H 8.022 0.00 1 100 351 13 ARG HA H 4.027 0.00 1 101 351 13 ARG HB2 H 1.915 0.00 2 102 351 13 ARG HB3 H 1.915 0.00 2 103 351 13 ARG HG2 H 1.767 0.00 2 104 351 13 ARG HG3 H 1.557 0.00 2 105 351 13 ARG HD2 H 3.131 0.00 2 106 351 13 ARG HD3 H 3.131 0.00 2 107 351 13 ARG C C 178.430 0.01 1 108 351 13 ARG CA C 59.493 0.00 1 109 351 13 ARG CB C 30.230 0.00 1 110 351 13 ARG CG C 27.020 0.02 1 111 351 13 ARG CD C 43.705 0.00 1 112 351 13 ARG N N 123.516 0.01 1 113 352 14 LEU H H 8.411 0.00 1 114 352 14 LEU HA H 3.822 0.00 1 115 352 14 LEU HB2 H 1.246 0.01 2 116 352 14 LEU HB3 H 0.710 0.01 2 117 352 14 LEU HG H 1.593 0.00 1 118 352 14 LEU HD1 H 0.351 0.00 2 119 352 14 LEU HD2 H 0.549 0.00 2 120 352 14 LEU C C 179.591 0.01 1 121 352 14 LEU CA C 57.915 0.05 1 122 352 14 LEU CB C 40.358 0.02 1 123 352 14 LEU CG C 26.192 0.05 1 124 352 14 LEU CD1 C 24.976 0.08 2 125 352 14 LEU CD2 C 23.100 0.00 2 126 352 14 LEU N N 118.248 0.03 1 127 353 15 GLN H H 8.184 0.01 1 128 353 15 GLN HA H 4.243 0.00 1 129 353 15 GLN HB2 H 2.284 0.01 2 130 353 15 GLN HB3 H 2.193 0.00 2 131 353 15 GLN HG2 H 2.694 0.00 2 132 353 15 GLN HG3 H 2.551 0.00 2 133 353 15 GLN HE21 H 7.505 0.00 2 134 353 15 GLN HE22 H 6.877 0.00 2 135 353 15 GLN C C 179.064 0.01 1 136 353 15 GLN CA C 59.382 0.03 1 137 353 15 GLN CB C 28.180 0.03 1 138 353 15 GLN CG C 34.135 0.00 1 139 353 15 GLN N N 119.302 0.03 1 140 353 15 GLN NE2 N 111.159 0.01 1 141 354 16 ARG H H 7.984 0.00 1 142 354 16 ARG HA H 4.125 0.00 1 143 354 16 ARG HB2 H 2.029 0.00 2 144 354 16 ARG HB3 H 1.905 0.00 2 145 354 16 ARG HG2 H 1.703 0.01 2 146 354 16 ARG HG3 H 1.589 0.00 2 147 354 16 ARG HD2 H 3.212 0.00 2 148 354 16 ARG HD3 H 3.106 0.00 2 149 354 16 ARG C C 178.660 0.01 1 150 354 16 ARG CA C 59.497 0.03 1 151 354 16 ARG CB C 28.836 0.07 1 152 354 16 ARG CG C 26.560 0.09 1 153 354 16 ARG CD C 42.638 0.05 1 154 354 16 ARG N N 121.906 0.05 1 155 355 17 ILE H H 8.391 0.00 1 156 355 17 ILE HA H 3.581 0.00 1 157 355 17 ILE HB H 1.777 0.00 1 158 355 17 ILE HG12 H 1.030 0.00 2 159 355 17 ILE HG13 H 1.858 0.00 2 160 355 17 ILE HG2 H 0.936 0.00 1 161 355 17 ILE HD1 H 0.714 0.00 1 162 355 17 ILE C C 177.565 0.00 1 163 355 17 ILE CA C 65.547 0.06 1 164 355 17 ILE CB C 38.556 0.03 1 165 355 17 ILE CG1 C 30.102 0.01 1 166 355 17 ILE CG2 C 18.142 0.04 1 167 355 17 ILE CD1 C 15.193 0.00 1 168 355 17 ILE N N 120.590 0.02 1 169 356 18 HIS H H 8.360 0.00 1 170 356 18 HIS HA H 4.221 0.00 1 171 356 18 HIS HB2 H 3.182 0.01 2 172 356 18 HIS HB3 H 3.345 0.00 2 173 356 18 HIS HD2 H 6.737 0.00 1 174 356 18 HIS HE1 H 7.402 0.00 1 175 356 18 HIS C C 176.375 0.00 1 176 356 18 HIS CA C 58.246 0.08 1 177 356 18 HIS CB C 29.402 0.03 1 178 356 18 HIS CE1 C 137.606 0.00 1 179 356 18 HIS N N 117.766 0.03 1 180 357 19 ALA H H 7.894 0.00 1 181 357 19 ALA HA H 3.749 0.00 1 182 357 19 ALA HB H 1.441 0.00 1 183 357 19 ALA C C 179.846 0.01 1 184 357 19 ALA CA C 55.156 0.13 1 185 357 19 ALA CB C 17.507 0.00 1 186 357 19 ALA N N 119.483 0.01 1 187 358 20 GLU H H 8.405 0.01 1 188 358 20 GLU HA H 3.959 0.00 1 189 358 20 GLU HB2 H 1.954 0.00 2 190 358 20 GLU HB3 H 1.954 0.00 2 191 358 20 GLU HG2 H 2.365 0.00 2 192 358 20 GLU HG3 H 2.312 0.00 2 193 358 20 GLU C C 179.935 0.01 1 194 358 20 GLU CA C 58.960 0.03 1 195 358 20 GLU CB C 30.613 0.03 1 196 358 20 GLU CG C 36.373 0.01 1 197 358 20 GLU N N 118.392 0.02 1 198 359 21 ILE H H 8.244 0.00 1 199 359 21 ILE HA H 3.540 0.00 1 200 359 21 ILE HB H 1.995 0.00 1 201 359 21 ILE HG12 H 0.898 0.00 2 202 359 21 ILE HG13 H 2.065 0.00 2 203 359 21 ILE HG2 H 0.809 0.00 1 204 359 21 ILE HD1 H 0.743 0.00 1 205 359 21 ILE C C 177.069 0.00 1 206 359 21 ILE CA C 66.251 0.01 1 207 359 21 ILE CB C 38.496 0.04 1 208 359 21 ILE CG1 C 28.836 0.03 1 209 359 21 ILE CG2 C 17.515 0.03 1 210 359 21 ILE CD1 C 14.169 0.04 1 211 359 21 ILE N N 121.459 0.02 1 212 360 22 LYS H H 7.805 0.00 1 213 360 22 LYS HA H 3.556 0.00 1 214 360 22 LYS HB2 H 1.323 0.01 2 215 360 22 LYS HB3 H 1.130 0.00 2 216 360 22 LYS HG2 H 0.327 0.01 2 217 360 22 LYS HG3 H 0.878 0.00 2 218 360 22 LYS HD2 H 0.894 0.00 2 219 360 22 LYS HD3 H 0.984 0.00 2 220 360 22 LYS HE2 H 2.193 0.00 2 221 360 22 LYS HE3 H 1.980 0.00 2 222 360 22 LYS C C 178.930 0.01 1 223 360 22 LYS CA C 59.605 0.02 1 224 360 22 LYS CB C 31.192 0.01 1 225 360 22 LYS CG C 24.566 0.04 1 226 360 22 LYS CD C 28.226 0.02 1 227 360 22 LYS CE C 40.576 0.02 1 228 360 22 LYS N N 115.811 0.02 1 229 361 23 ASN H H 8.543 0.00 1 230 361 23 ASN HA H 4.378 0.00 1 231 361 23 ASN HB2 H 2.777 0.00 2 232 361 23 ASN HB3 H 2.631 0.00 2 233 361 23 ASN HD21 H 6.970 0.00 2 234 361 23 ASN HD22 H 7.458 0.00 2 235 361 23 ASN C C 178.215 0.00 1 236 361 23 ASN CA C 55.604 0.00 1 237 361 23 ASN CB C 38.688 0.01 1 238 361 23 ASN N N 114.174 0.02 1 239 361 23 ASN ND2 N 112.630 0.01 1 240 362 24 SER H H 8.064 0.00 1 241 362 24 SER HA H 4.347 0.00 1 242 362 24 SER HB2 H 4.290 0.00 2 243 362 24 SER HB3 H 3.982 0.00 2 244 362 24 SER CA C 61.592 0.00 1 245 362 24 SER CB C 62.850 0.00 1 246 362 24 SER N N 114.911 0.01 1 247 363 25 LEU H H 7.121 0.00 1 248 363 25 LEU HA H 4.720 0.01 1 249 363 25 LEU HB2 H 1.910 0.00 2 250 363 25 LEU HB3 H 1.479 0.01 2 251 363 25 LEU HG H 1.808 0.00 1 252 363 25 LEU HD1 H 0.326 0.00 2 253 363 25 LEU HD2 H 0.579 0.00 2 254 363 25 LEU C C 175.493 0.01 1 255 363 25 LEU CA C 52.440 0.00 1 256 363 25 LEU CB C 40.614 0.01 1 257 363 25 LEU CG C 25.681 0.10 1 258 363 25 LEU CD1 C 21.548 0.00 2 259 363 25 LEU CD2 C 26.636 0.01 2 260 363 25 LEU N N 119.180 0.01 1 261 364 26 LYS H H 6.872 0.00 1 262 364 26 LYS HA H 4.553 0.00 1 263 364 26 LYS HB2 H 1.867 0.00 2 264 364 26 LYS HB3 H 1.817 0.00 2 265 364 26 LYS HG2 H 1.797 0.00 2 266 364 26 LYS HG3 H 1.566 0.00 2 267 364 26 LYS HD2 H 1.750 0.00 2 268 364 26 LYS HD3 H 1.750 0.00 2 269 364 26 LYS HE2 H 3.016 0.00 2 270 364 26 LYS HE3 H 3.016 0.00 2 271 364 26 LYS C C 177.832 0.00 1 272 364 26 LYS CA C 56.538 0.02 1 273 364 26 LYS CB C 32.816 0.03 1 274 364 26 LYS CG C 24.933 0.00 1 275 364 26 LYS CD C 29.038 0.00 1 276 364 26 LYS CE C 41.805 0.00 1 277 364 26 LYS N N 121.702 0.02 1 278 365 27 ILE H H 8.371 0.00 1 279 365 27 ILE HA H 3.682 0.00 1 280 365 27 ILE HB H 1.466 0.00 1 281 365 27 ILE HG12 H 1.357 0.00 2 282 365 27 ILE HG13 H 0.989 0.00 2 283 365 27 ILE HG2 H 0.834 0.00 1 284 365 27 ILE HD1 H 0.644 0.00 1 285 365 27 ILE C C 175.986 0.00 1 286 365 27 ILE CA C 64.371 0.03 1 287 365 27 ILE CB C 38.700 0.02 1 288 365 27 ILE CG1 C 28.438 0.01 1 289 365 27 ILE CG2 C 16.833 0.00 1 290 365 27 ILE CD1 C 13.895 0.00 1 291 365 27 ILE N N 123.391 0.01 1 292 366 28 ASP H H 8.465 0.00 1 293 366 28 ASP HA H 4.490 0.00 1 294 366 28 ASP HB2 H 2.842 0.00 2 295 366 28 ASP HB3 H 2.744 0.00 2 296 366 28 ASP CB C 40.048 0.01 1 297 366 28 ASP N N 118.112 0.00 1 298 367 29 ASN HA H 4.838 0.00 1 299 367 29 ASN HB2 H 2.764 0.00 2 300 367 29 ASN HB3 H 2.454 0.00 2 301 367 29 ASN HD21 H 7.359 0.00 2 302 367 29 ASN HD22 H 6.953 0.00 2 303 367 29 ASN C C 173.103 0.00 1 304 367 29 ASN CA C 52.873 0.00 1 305 367 29 ASN CB C 39.450 0.01 1 306 367 29 ASN ND2 N 112.132 0.00 1 307 368 30 LEU H H 8.225 0.00 1 308 368 30 LEU HA H 4.305 0.00 1 309 368 30 LEU HB2 H 1.993 0.00 2 310 368 30 LEU HB3 H 1.347 0.00 2 311 368 30 LEU HG H 1.873 0.00 1 312 368 30 LEU HD1 H 1.106 0.00 2 313 368 30 LEU HD2 H 0.915 0.00 2 314 368 30 LEU C C 177.745 0.01 1 315 368 30 LEU CA C 55.949 0.03 1 316 368 30 LEU CB C 42.751 0.01 1 317 368 30 LEU CG C 26.486 0.00 1 318 368 30 LEU CD1 C 25.821 0.00 2 319 368 30 LEU CD2 C 23.946 0.00 2 320 368 30 LEU N N 121.464 0.02 1 321 369 31 ASP H H 9.502 0.00 1 322 369 31 ASP HA H 4.852 0.01 1 323 369 31 ASP HB2 H 3.021 0.00 2 324 369 31 ASP HB3 H 2.499 0.00 2 325 369 31 ASP C C 175.609 0.01 1 326 369 31 ASP CA C 52.090 0.01 1 327 369 31 ASP CB C 40.713 0.03 1 328 369 31 ASP N N 125.525 0.03 1 329 370 32 VAL H H 8.387 0.00 1 330 370 32 VAL HA H 3.540 0.00 1 331 370 32 VAL HB H 2.171 0.00 1 332 370 32 VAL HG1 H 1.147 0.00 2 333 370 32 VAL HG2 H 1.177 0.00 2 334 370 32 VAL C C 177.834 0.00 1 335 370 32 VAL CA C 66.451 0.03 1 336 370 32 VAL CB C 31.949 0.03 1 337 370 32 VAL CG1 C 21.377 0.07 2 338 370 32 VAL CG2 C 21.409 0.00 2 339 370 32 VAL N N 122.119 0.02 1 340 371 33 ASN H H 8.627 0.00 1 341 371 33 ASN HA H 4.441 0.00 1 342 371 33 ASN HB2 H 2.891 0.00 2 343 371 33 ASN HB3 H 2.822 0.00 2 344 371 33 ASN HD21 H 7.768 0.00 2 345 371 33 ASN HD22 H 6.935 0.00 2 346 371 33 ASN C C 177.614 0.00 1 347 371 33 ASN CA C 56.506 0.00 1 348 371 33 ASN CB C 37.521 0.02 1 349 371 33 ASN N N 117.712 0.01 1 350 371 33 ASN ND2 N 113.049 0.00 1 351 372 34 ARG H H 7.593 0.00 1 352 372 34 ARG HA H 4.098 0.00 1 353 372 34 ARG HB2 H 1.797 0.00 2 354 372 34 ARG HB3 H 1.797 0.00 2 355 372 34 ARG HG2 H 1.479 0.00 2 356 372 34 ARG HG3 H 1.768 0.00 2 357 372 34 ARG HD2 H 2.983 0.00 2 358 372 34 ARG HD3 H 3.224 0.00 2 359 372 34 ARG HE H 7.982 0.00 1 360 372 34 ARG C C 178.474 0.02 1 361 372 34 ARG CA C 58.577 0.01 1 362 372 34 ARG CB C 30.791 0.00 1 363 372 34 ARG CG C 26.974 0.03 1 364 372 34 ARG CD C 44.276 0.03 1 365 372 34 ARG N N 121.666 0.01 1 366 372 34 ARG NE N 85.541 0.02 1 367 373 35 CYS H H 7.750 0.00 1 368 373 35 CYS HA H 3.891 0.01 1 369 373 35 CYS HB2 H 3.183 0.00 2 370 373 35 CYS HB3 H 3.121 0.00 2 371 373 35 CYS HG H 1.441 0.00 1 372 373 35 CYS C C 176.801 0.00 1 373 373 35 CYS CA C 63.076 0.02 1 374 373 35 CYS CB C 26.841 0.00 1 375 373 35 CYS N N 120.295 0.02 1 376 374 36 ILE H H 8.456 0.00 1 377 374 36 ILE HA H 3.341 0.00 1 378 374 36 ILE HB H 1.944 0.00 1 379 374 36 ILE HG12 H 0.627 0.00 2 380 374 36 ILE HG13 H 1.958 0.00 2 381 374 36 ILE HG2 H 0.855 0.00 1 382 374 36 ILE HD1 H 0.909 0.00 1 383 374 36 ILE C C 176.880 0.02 1 384 374 36 ILE CA C 66.886 0.00 1 385 374 36 ILE CB C 37.868 0.00 1 386 374 36 ILE CG1 C 31.410 0.08 1 387 374 36 ILE CG2 C 17.367 0.00 1 388 374 36 ILE CD1 C 14.157 0.00 1 389 374 36 ILE N N 119.445 0.02 1 390 375 37 GLU H H 7.914 0.00 1 391 375 37 GLU HA H 4.079 0.01 1 392 375 37 GLU HB2 H 2.120 0.00 2 393 375 37 GLU HB3 H 2.059 0.00 2 394 375 37 GLU HG2 H 2.491 0.00 2 395 375 37 GLU HG3 H 2.287 0.00 2 396 375 37 GLU C C 179.716 0.01 1 397 375 37 GLU CA C 59.712 0.01 1 398 375 37 GLU CB C 29.286 0.00 1 399 375 37 GLU CG C 36.397 0.01 1 400 375 37 GLU N N 117.682 0.02 1 401 376 38 ALA H H 7.529 0.00 1 402 376 38 ALA HA H 4.380 0.00 1 403 376 38 ALA HB H 1.586 0.00 1 404 376 38 ALA C C 179.471 0.01 1 405 376 38 ALA CA C 55.191 0.01 1 406 376 38 ALA CB C 18.383 0.01 1 407 376 38 ALA N N 122.899 0.02 1 408 377 39 LEU H H 8.487 0.00 1 409 377 39 LEU HA H 3.906 0.00 1 410 377 39 LEU HB2 H 1.219 0.00 2 411 377 39 LEU HB3 H 2.053 0.00 2 412 377 39 LEU HG H 2.051 0.00 1 413 377 39 LEU HD1 H 0.890 0.00 2 414 377 39 LEU HD2 H 0.671 0.00 2 415 377 39 LEU C C 179.861 0.00 1 416 377 39 LEU CA C 57.706 0.05 1 417 377 39 LEU CB C 41.099 0.02 1 418 377 39 LEU CG C 26.305 0.00 1 419 377 39 LEU CD1 C 28.048 0.00 2 420 377 39 LEU CD2 C 23.009 0.01 2 421 377 39 LEU N N 118.213 0.01 1 422 378 40 ASP H H 8.949 0.00 1 423 378 40 ASP HA H 4.446 0.00 1 424 378 40 ASP HB2 H 2.740 0.00 2 425 378 40 ASP HB3 H 2.543 0.00 2 426 378 40 ASP C C 179.467 0.00 1 427 378 40 ASP CA C 57.181 0.02 1 428 378 40 ASP CB C 39.075 0.00 1 429 378 40 ASP N N 121.546 0.02 1 430 379 41 GLU H H 8.138 0.00 1 431 379 41 GLU HA H 3.990 0.00 1 432 379 41 GLU HB2 H 2.143 0.00 2 433 379 41 GLU HB3 H 2.143 0.00 2 434 379 41 GLU HG2 H 2.018 0.00 2 435 379 41 GLU HG3 H 2.327 0.00 2 436 379 41 GLU C C 180.453 0.01 1 437 379 41 GLU CA C 59.615 0.04 1 438 379 41 GLU CB C 28.473 0.01 1 439 379 41 GLU CG C 36.020 0.00 1 440 379 41 GLU N N 123.480 0.02 1 441 380 42 LEU H H 8.527 0.00 1 442 380 42 LEU HA H 3.985 0.00 1 443 380 42 LEU HB2 H 1.723 0.00 2 444 380 42 LEU HB3 H 2.245 0.00 2 445 380 42 LEU HG H 1.742 0.00 1 446 380 42 LEU HD1 H 1.068 0.00 2 447 380 42 LEU HD2 H 1.036 0.00 2 448 380 42 LEU C C 178.743 0.01 1 449 380 42 LEU CA C 57.854 0.04 1 450 380 42 LEU CB C 40.876 0.01 1 451 380 42 LEU CG C 27.045 0.00 1 452 380 42 LEU CD1 C 26.549 0.00 2 453 380 42 LEU CD2 C 23.310 0.00 2 454 380 42 LEU N N 121.409 0.02 1 455 381 43 ALA H H 8.373 0.00 1 456 381 43 ALA HA H 3.993 0.00 1 457 381 43 ALA HB H 1.569 0.00 1 458 381 43 ALA C C 177.690 0.00 1 459 381 43 ALA CA C 54.147 0.01 1 460 381 43 ALA CB C 18.564 0.00 1 461 381 43 ALA N N 118.957 0.01 1 462 382 44 SER H H 7.530 0.00 1 463 382 44 SER HA H 4.411 0.00 1 464 382 44 SER HB2 H 4.051 0.00 2 465 382 44 SER HB3 H 3.952 0.00 2 466 382 44 SER C C 174.108 0.00 1 467 382 44 SER CA C 59.177 0.00 1 468 382 44 SER CB C 64.264 0.00 1 469 382 44 SER N N 111.993 0.03 1 470 383 45 LEU H H 7.299 0.00 1 471 383 45 LEU HA H 4.378 0.00 1 472 383 45 LEU HB2 H 1.838 0.00 2 473 383 45 LEU HB3 H 1.252 0.01 2 474 383 45 LEU HG H 2.024 0.00 1 475 383 45 LEU HD1 H 0.750 0.00 2 476 383 45 LEU HD2 H 0.740 0.00 2 477 383 45 LEU C C 176.933 0.01 1 478 383 45 LEU CA C 54.214 0.00 1 479 383 45 LEU CB C 43.036 0.02 1 480 383 45 LEU CG C 25.561 0.00 1 481 383 45 LEU CD1 C 25.779 0.02 2 482 383 45 LEU CD2 C 22.197 0.00 2 483 383 45 LEU N N 122.225 0.01 1 484 384 46 GLN H H 8.657 0.00 1 485 384 46 GLN HA H 4.432 0.00 1 486 384 46 GLN HB2 H 2.014 0.01 2 487 384 46 GLN HB3 H 1.968 0.00 2 488 384 46 GLN HG2 H 2.308 0.00 2 489 384 46 GLN HG3 H 2.262 0.00 2 490 384 46 GLN C C 174.354 0.01 1 491 384 46 GLN CA C 54.725 0.02 1 492 384 46 GLN CB C 27.308 0.02 1 493 384 46 GLN CG C 33.527 0.03 1 494 384 46 GLN N N 123.896 0.02 1 495 385 47 VAL H H 7.802 0.00 1 496 385 47 VAL HA H 4.432 0.00 1 497 385 47 VAL HB H 1.925 0.00 1 498 385 47 VAL HG1 H 1.007 0.00 2 499 385 47 VAL HG2 H 0.922 0.00 2 500 385 47 VAL C C 175.975 0.00 1 501 385 47 VAL CA C 61.264 0.01 1 502 385 47 VAL CB C 33.690 0.03 1 503 385 47 VAL CG1 C 21.824 0.00 2 504 385 47 VAL CG2 C 21.889 0.00 2 505 385 47 VAL N N 123.640 0.01 1 506 386 48 THR H H 8.489 0.00 1 507 386 48 THR HA H 4.525 0.00 1 508 386 48 THR HB H 4.695 0.00 1 509 386 48 THR HG1 H 5.541 0.00 1 510 386 48 THR HG2 H 1.270 0.00 1 511 386 48 THR C C 175.736 0.00 1 512 386 48 THR CA C 60.067 0.04 1 513 386 48 THR CB C 71.533 0.04 1 514 386 48 THR CG2 C 21.474 0.04 1 515 386 48 THR N N 116.417 0.01 1 516 387 49 MET H H 8.990 0.00 1 517 387 49 MET HA H 3.755 0.00 1 518 387 49 MET HB2 H 1.800 0.00 2 519 387 49 MET HB3 H 1.800 0.00 2 520 387 49 MET HG2 H 1.972 0.00 2 521 387 49 MET HG3 H 1.857 0.00 2 522 387 49 MET HE H 1.805 0.00 1 523 387 49 MET C C 177.575 0.00 1 524 387 49 MET CA C 59.576 0.05 1 525 387 49 MET CB C 32.434 0.04 1 526 387 49 MET CG C 31.477 0.07 1 527 387 49 MET CE C 17.211 0.00 1 528 387 49 MET N N 121.283 0.01 1 529 388 50 GLN H H 8.318 0.00 1 530 388 50 GLN HA H 3.994 0.00 1 531 388 50 GLN HB2 H 2.072 0.00 2 532 388 50 GLN HB3 H 1.980 0.00 2 533 388 50 GLN HG2 H 2.510 0.01 2 534 388 50 GLN HG3 H 2.411 0.00 2 535 388 50 GLN HE21 H 7.549 0.00 2 536 388 50 GLN HE22 H 6.886 0.00 2 537 388 50 GLN C C 179.020 0.00 1 538 388 50 GLN CA C 59.519 0.03 1 539 388 50 GLN CB C 27.785 0.02 1 540 388 50 GLN CG C 34.433 0.02 1 541 388 50 GLN N N 116.668 0.01 1 542 388 50 GLN NE2 N 112.133 0.01 1 543 389 51 GLN H H 7.557 0.00 1 544 389 51 GLN HA H 4.154 0.00 1 545 389 51 GLN HB2 H 2.430 0.00 2 546 389 51 GLN HB3 H 1.735 0.00 2 547 389 51 GLN HG2 H 2.510 0.00 2 548 389 51 GLN HG3 H 2.401 0.00 2 549 389 51 GLN HE21 H 7.562 0.00 2 550 389 51 GLN HE22 H 6.663 0.00 2 551 389 51 GLN C C 178.808 0.01 1 552 389 51 GLN CA C 58.114 0.07 1 553 389 51 GLN CB C 28.544 0.03 1 554 389 51 GLN CG C 33.993 0.05 1 555 389 51 GLN N N 117.938 0.01 1 556 389 51 GLN NE2 N 109.428 0.01 1 557 390 52 ALA H H 8.705 0.00 1 558 390 52 ALA HA H 3.811 0.00 1 559 390 52 ALA HB H 1.538 0.00 1 560 390 52 ALA C C 178.666 0.00 1 561 390 52 ALA CA C 55.372 0.02 1 562 390 52 ALA CB C 18.553 0.01 1 563 390 52 ALA N N 121.047 0.02 1 564 391 53 GLN H H 8.046 0.00 1 565 391 53 GLN HA H 3.853 0.00 1 566 391 53 GLN HB2 H 2.239 0.00 2 567 391 53 GLN HB3 H 2.284 0.00 2 568 391 53 GLN HG2 H 2.521 0.00 2 569 391 53 GLN HG3 H 2.443 0.00 2 570 391 53 GLN HE21 H 7.404 0.00 2 571 391 53 GLN HE22 H 6.895 0.00 2 572 391 53 GLN C C 176.079 0.00 1 573 391 53 GLN CA C 58.379 0.06 1 574 391 53 GLN CB C 28.542 0.01 1 575 391 53 GLN CG C 34.148 0.00 1 576 391 53 GLN N N 112.502 0.01 1 577 391 53 GLN NE2 N 110.138 0.00 1 578 392 54 LYS H H 7.304 0.00 1 579 392 54 LYS HA H 4.242 0.00 1 580 392 54 LYS HB2 H 1.756 0.00 2 581 392 54 LYS HB3 H 1.756 0.00 2 582 392 54 LYS HG2 H 1.469 0.00 2 583 392 54 LYS HG3 H 1.326 0.00 2 584 392 54 LYS HD2 H 1.733 0.00 2 585 392 54 LYS HD3 H 1.678 0.00 2 586 392 54 LYS HE2 H 3.004 0.00 2 587 392 54 LYS HE3 H 2.942 0.00 2 588 392 54 LYS C C 176.506 0.00 1 589 392 54 LYS CA C 56.702 0.04 1 590 392 54 LYS CB C 32.572 0.03 1 591 392 54 LYS CG C 25.016 0.03 1 592 392 54 LYS CD C 28.977 0.04 1 593 392 54 LYS CE C 41.813 0.00 1 594 392 54 LYS N N 116.237 0.02 1 595 393 55 HIS H H 7.769 0.00 1 596 393 55 HIS HA H 4.879 0.00 1 597 393 55 HIS HB2 H 3.294 0.00 2 598 393 55 HIS HB3 H 2.540 0.00 2 599 393 55 HIS HD2 H 7.425 0.00 1 600 393 55 HIS HE1 H 7.899 0.00 1 601 393 55 HIS C C 176.014 0.01 1 602 393 55 HIS CA C 55.351 0.00 1 603 393 55 HIS CB C 29.689 0.02 1 604 393 55 HIS CE1 C 137.902 0.00 1 605 393 55 HIS N N 120.401 0.04 1 606 394 56 THR H H 7.512 0.00 1 607 394 56 THR HA H 3.605 0.00 1 608 394 56 THR HB H 4.037 0.00 1 609 394 56 THR HG2 H 1.117 0.00 1 610 394 56 THR C C 177.496 0.00 1 611 394 56 THR CA C 65.373 0.04 1 612 394 56 THR CB C 67.627 0.04 1 613 394 56 THR CG2 C 22.838 0.01 1 614 394 56 THR N N 111.040 0.03 1 615 395 57 GLU H H 8.856 0.00 1 616 395 57 GLU HA H 4.037 0.00 1 617 395 57 GLU HB2 H 2.026 0.00 2 618 395 57 GLU HB3 H 2.026 0.00 2 619 395 57 GLU HG2 H 2.329 0.00 2 620 395 57 GLU HG3 H 2.237 0.00 2 621 395 57 GLU C C 178.324 0.02 1 622 395 57 GLU CA C 59.523 0.04 1 623 395 57 GLU CB C 28.003 0.02 1 624 395 57 GLU CG C 36.265 0.00 1 625 395 57 GLU N N 122.584 0.02 1 626 396 58 MET H H 7.739 0.00 1 627 396 58 MET HA H 3.115 0.00 1 628 396 58 MET HB2 H 1.586 0.00 2 629 396 58 MET HB3 H 2.180 0.00 2 630 396 58 MET HG2 H 2.059 0.00 2 631 396 58 MET HG3 H 2.059 0.00 2 632 396 58 MET HE H 1.800 0.00 1 633 396 58 MET C C 177.325 0.06 1 634 396 58 MET CA C 57.928 0.07 1 635 396 58 MET CB C 32.389 0.10 1 636 396 58 MET CG C 31.381 0.05 1 637 396 58 MET CE C 17.191 0.00 1 638 396 58 MET N N 120.117 0.02 1 639 397 59 ILE H H 7.375 0.00 1 640 397 59 ILE HA H 3.418 0.00 1 641 397 59 ILE HB H 1.893 0.00 1 642 397 59 ILE HG12 H 0.426 0.00 2 643 397 59 ILE HG13 H 1.610 0.00 2 644 397 59 ILE HG2 H 0.905 0.00 1 645 397 59 ILE HD1 H 0.601 0.00 1 646 397 59 ILE C C 177.453 0.00 1 647 397 59 ILE CA C 65.929 0.07 1 648 397 59 ILE CB C 37.001 0.02 1 649 397 59 ILE CG1 C 28.506 0.02 1 650 397 59 ILE CG2 C 18.571 0.03 1 651 397 59 ILE CD1 C 12.794 0.00 1 652 397 59 ILE N N 119.017 0.01 1 653 398 60 THR H H 7.918 0.00 1 654 398 60 THR HA H 3.724 0.00 1 655 398 60 THR HB H 4.353 0.00 1 656 398 60 THR HG2 H 1.225 0.00 1 657 398 60 THR CA C 67.142 0.02 1 658 398 60 THR CB C 68.096 0.02 1 659 398 60 THR CG2 C 22.088 0.00 1 660 398 60 THR N N 116.877 0.02 1 661 399 61 THR H H 8.198 0.00 1 662 399 61 THR HA H 3.793 0.00 1 663 399 61 THR HB H 4.432 0.00 1 664 399 61 THR HG2 H 1.226 0.00 1 665 399 61 THR C C 175.736 0.00 1 666 399 61 THR CA C 67.448 0.05 1 667 399 61 THR CB C 66.781 0.05 1 668 399 61 THR CG2 C 23.865 0.03 1 669 399 61 THR N N 121.803 0.03 1 670 400 62 LEU H H 8.138 0.00 1 671 400 62 LEU HA H 3.866 0.00 1 672 400 62 LEU HB2 H 2.251 0.00 2 673 400 62 LEU HB3 H 1.408 0.00 2 674 400 62 LEU HG H 1.952 0.00 1 675 400 62 LEU HD1 H 0.888 0.00 2 676 400 62 LEU HD2 H 0.798 0.00 2 677 400 62 LEU C C 176.892 0.01 1 678 400 62 LEU CA C 57.797 0.04 1 679 400 62 LEU CB C 42.172 0.01 1 680 400 62 LEU CG C 26.541 0.00 1 681 400 62 LEU CD1 C 26.406 0.00 2 682 400 62 LEU CD2 C 22.659 0.00 2 683 400 62 LEU N N 119.732 0.03 1 684 401 63 LYS H H 8.038 0.00 1 685 401 63 LYS HA H 2.870 0.00 1 686 401 63 LYS HB2 H 2.029 0.00 2 687 401 63 LYS HB3 H 1.672 0.00 2 688 401 63 LYS HG2 H 1.098 0.00 2 689 401 63 LYS HG3 H 0.481 0.01 2 690 401 63 LYS HD2 H 1.619 0.00 2 691 401 63 LYS HD3 H 1.619 0.00 2 692 401 63 LYS HE2 H 2.983 0.00 2 693 401 63 LYS HE3 H 2.842 0.00 2 694 401 63 LYS C C 179.938 0.00 1 695 401 63 LYS CA C 59.093 0.02 1 696 401 63 LYS CB C 33.263 0.03 1 697 401 63 LYS CG C 25.629 0.01 1 698 401 63 LYS CD C 30.285 0.00 1 699 401 63 LYS CE C 42.602 0.07 1 700 401 63 LYS N N 115.814 0.03 1 701 402 64 LYS H H 7.711 0.00 1 702 402 64 LYS HA H 3.862 0.00 1 703 402 64 LYS HB2 H 1.667 0.00 2 704 402 64 LYS HB3 H 1.183 0.00 2 705 402 64 LYS HG2 H 1.303 0.00 2 706 402 64 LYS HG3 H 1.111 0.00 2 707 402 64 LYS HD2 H 1.591 0.00 2 708 402 64 LYS HD3 H 1.543 0.00 2 709 402 64 LYS HE2 H 2.933 0.00 2 710 402 64 LYS HE3 H 2.873 0.00 2 711 402 64 LYS C C 179.133 0.00 1 712 402 64 LYS CA C 58.820 0.00 1 713 402 64 LYS CB C 32.667 0.01 1 714 402 64 LYS CG C 24.638 0.04 1 715 402 64 LYS CD C 29.416 0.02 1 716 402 64 LYS N N 117.804 0.01 1 717 403 65 ILE H H 7.597 0.00 1 718 403 65 ILE HA H 3.668 0.00 1 719 403 65 ILE HB H 1.883 0.00 1 720 403 65 ILE HG12 H 1.504 0.00 2 721 403 65 ILE HG13 H 1.504 0.00 2 722 403 65 ILE HG2 H 0.604 0.00 1 723 403 65 ILE HD1 H 0.672 0.00 1 724 403 65 ILE C C 175.469 0.01 1 725 403 65 ILE CA C 63.992 0.02 1 726 403 65 ILE CB C 36.469 0.08 1 727 403 65 ILE CG1 C 24.832 0.08 1 728 403 65 ILE CG2 C 17.131 0.02 1 729 403 65 ILE CD1 C 14.501 0.04 1 730 403 65 ILE N N 110.778 0.03 1 731 404 66 ARG H H 6.965 0.00 1 732 404 66 ARG HA H 4.235 0.00 1 733 404 66 ARG HB2 H 1.716 0.00 2 734 404 66 ARG HB3 H 1.667 0.00 2 735 404 66 ARG HG2 H 2.241 0.00 2 736 404 66 ARG HG3 H 1.560 0.00 2 737 404 66 ARG HD2 H 2.927 0.00 2 738 404 66 ARG HD3 H 3.058 0.00 2 739 404 66 ARG C C 176.926 0.01 1 740 404 66 ARG CA C 58.554 0.00 1 741 404 66 ARG CB C 30.938 0.07 1 742 404 66 ARG CG C 24.726 0.04 1 743 404 66 ARG CD C 44.004 0.00 1 744 404 66 ARG N N 119.341 0.03 1 745 405 67 ARG H H 7.177 0.01 1 746 405 67 ARG HA H 4.546 0.00 1 747 405 67 ARG HB2 H 2.462 0.00 2 748 405 67 ARG HB3 H 1.799 0.00 2 749 405 67 ARG HG2 H 1.714 0.00 2 750 405 67 ARG HG3 H 1.511 0.00 2 751 405 67 ARG HD2 H 3.199 0.00 2 752 405 67 ARG HD3 H 3.199 0.00 2 753 405 67 ARG C C 176.644 0.00 1 754 405 67 ARG CA C 53.707 0.00 1 755 405 67 ARG CB C 29.045 0.01 1 756 405 67 ARG CG C 27.234 0.10 1 757 405 67 ARG CD C 42.672 0.05 1 758 405 67 ARG N N 111.858 0.03 1 759 406 68 PHE H H 7.731 0.00 1 760 406 68 PHE HA H 5.452 0.00 1 761 406 68 PHE HB2 H 3.025 0.00 2 762 406 68 PHE HB3 H 3.507 0.00 2 763 406 68 PHE HD1 H 7.372 0.00 3 764 406 68 PHE HD2 H 7.372 0.00 3 765 406 68 PHE HE1 H 7.056 0.00 3 766 406 68 PHE HE2 H 7.056 0.00 3 767 406 68 PHE HZ H 7.117 0.00 1 768 406 68 PHE C C 172.647 0.00 1 769 406 68 PHE CA C 56.152 0.00 1 770 406 68 PHE CB C 38.260 0.00 1 771 406 68 PHE CD1 C 131.966 0.04 3 772 406 68 PHE CE1 C 130.719 0.00 3 773 406 68 PHE CZ C 129.940 0.00 1 774 406 68 PHE N N 123.454 0.01 1 775 407 69 LYS H H 7.656 0.00 1 776 407 69 LYS HA H 4.215 0.00 1 777 407 69 LYS HB2 H 1.754 0.00 2 778 407 69 LYS HB3 H 1.659 0.00 2 779 407 69 LYS HG2 H 1.478 0.00 2 780 407 69 LYS HG3 H 1.387 0.00 2 781 407 69 LYS HD2 H 1.604 0.00 2 782 407 69 LYS HD3 H 1.604 0.00 2 783 407 69 LYS HE2 H 3.003 0.00 2 784 407 69 LYS HE3 H 2.932 0.00 2 785 407 69 LYS C C 176.505 0.00 1 786 407 69 LYS CA C 58.209 0.08 1 787 407 69 LYS CB C 32.415 0.03 1 788 407 69 LYS CG C 24.893 0.03 1 789 407 69 LYS CD C 29.029 0.09 1 790 407 69 LYS CE C 41.777 0.00 1 791 407 69 LYS N N 126.166 0.02 1 792 408 70 VAL H H 6.456 0.01 1 793 408 70 VAL HA H 3.534 0.00 1 794 408 70 VAL HB H 0.737 0.00 1 795 408 70 VAL HG1 H 0.556 0.00 2 796 408 70 VAL HG2 H 0.621 0.00 2 797 408 70 VAL C C 175.642 0.01 1 798 408 70 VAL CA C 63.541 0.06 1 799 408 70 VAL CB C 31.736 0.01 1 800 408 70 VAL CG1 C 21.828 0.04 2 801 408 70 VAL CG2 C 20.645 0.06 2 802 408 70 VAL N N 115.025 0.01 1 803 409 71 SER H H 7.354 0.00 1 804 409 71 SER HA H 4.910 0.00 1 805 409 71 SER HB2 H 3.785 0.00 2 806 409 71 SER HB3 H 3.938 0.00 2 807 409 71 SER HG H 6.351 0.00 1 808 409 71 SER CA C 55.586 0.00 1 809 409 71 SER CB C 64.083 0.05 1 810 409 71 SER N N 111.383 0.01 1 811 410 72 GLN H H 9.003 0.00 1 812 410 72 GLN HA H 4.076 0.00 1 813 410 72 GLN HB2 H 2.182 0.00 2 814 410 72 GLN HB3 H 2.093 0.00 2 815 410 72 GLN HG2 H 2.445 0.00 2 816 410 72 GLN HG3 H 2.445 0.00 2 817 410 72 GLN HE21 H 7.751 0.00 2 818 410 72 GLN HE22 H 6.814 0.00 2 819 410 72 GLN C C 177.788 0.00 1 820 410 72 GLN CA C 58.957 0.01 1 821 410 72 GLN CB C 28.001 0.01 1 822 410 72 GLN CG C 33.195 0.00 1 823 410 72 GLN N N 131.320 0.02 1 824 410 72 GLN NE2 N 112.358 0.02 1 825 411 73 VAL H H 7.757 0.00 1 826 411 73 VAL HA H 3.902 0.00 1 827 411 73 VAL HB H 1.820 0.00 1 828 411 73 VAL HG1 H 1.085 0.00 2 829 411 73 VAL HG2 H 0.980 0.00 2 830 411 73 VAL C C 178.257 0.00 1 831 411 73 VAL CA C 65.998 0.03 1 832 411 73 VAL CB C 31.905 0.03 1 833 411 73 VAL CG1 C 22.016 0.04 2 834 411 73 VAL CG2 C 21.584 0.06 2 835 411 73 VAL N N 117.744 0.02 1 836 412 74 ILE H H 7.860 0.00 1 837 412 74 ILE HA H 3.529 0.00 1 838 412 74 ILE HB H 2.215 0.00 1 839 412 74 ILE HG12 H 0.993 0.00 2 840 412 74 ILE HG13 H 1.929 0.00 2 841 412 74 ILE HG2 H 1.027 0.00 1 842 412 74 ILE HD1 H 1.317 0.00 1 843 412 74 ILE C C 179.531 0.01 1 844 412 74 ILE CA C 66.155 0.04 1 845 412 74 ILE CB C 37.583 0.01 1 846 412 74 ILE CG1 C 31.141 0.04 1 847 412 74 ILE CG2 C 16.785 0.01 1 848 412 74 ILE CD1 C 14.537 0.02 1 849 412 74 ILE N N 120.512 0.01 1 850 413 75 MET H H 8.415 0.00 1 851 413 75 MET HA H 4.048 0.00 1 852 413 75 MET HB2 H 2.407 0.00 2 853 413 75 MET HB3 H 2.202 0.00 2 854 413 75 MET HG2 H 2.958 0.00 2 855 413 75 MET HG3 H 2.181 0.00 2 856 413 75 MET HE H 2.055 0.00 1 857 413 75 MET C C 178.852 0.00 1 858 413 75 MET CA C 61.264 0.00 1 859 413 75 MET CB C 33.780 0.00 1 860 413 75 MET CG C 31.773 0.04 1 861 413 75 MET CE C 16.332 0.00 1 862 413 75 MET N N 121.502 0.02 1 863 414 76 GLU H H 8.666 0.00 1 864 414 76 GLU HA H 4.100 0.00 1 865 414 76 GLU HB2 H 2.300 0.00 2 866 414 76 GLU HB3 H 2.144 0.00 2 867 414 76 GLU HG2 H 2.538 0.00 2 868 414 76 GLU HG3 H 2.308 0.00 2 869 414 76 GLU C C 179.961 0.00 1 870 414 76 GLU CA C 59.840 0.06 1 871 414 76 GLU CB C 29.737 0.01 1 872 414 76 GLU CG C 36.371 0.01 1 873 414 76 GLU N N 121.369 0.01 1 874 415 77 LYS H H 8.866 0.00 1 875 415 77 LYS HA H 4.184 0.00 1 876 415 77 LYS HB2 H 1.817 0.00 2 877 415 77 LYS HB3 H 1.817 0.00 2 878 415 77 LYS HG2 H 1.617 0.00 2 879 415 77 LYS HG3 H 1.773 0.00 2 880 415 77 LYS HD2 H 1.633 0.00 2 881 415 77 LYS HD3 H 1.369 0.00 2 882 415 77 LYS HE2 H 3.020 0.00 2 883 415 77 LYS HE3 H 2.870 0.00 2 884 415 77 LYS C C 179.750 0.02 1 885 415 77 LYS CA C 60.228 0.01 1 886 415 77 LYS CB C 34.220 0.00 1 887 415 77 LYS CG C 27.165 0.09 1 888 415 77 LYS CD C 29.249 0.09 1 889 415 77 LYS CE C 41.922 0.00 1 890 415 77 LYS N N 120.050 0.01 1 891 416 78 SER H H 8.783 0.00 1 892 416 78 SER HA H 4.308 0.00 1 893 416 78 SER HB2 H 3.947 0.00 2 894 416 78 SER HB3 H 3.751 0.00 2 895 416 78 SER C C 176.694 0.00 1 896 416 78 SER CA C 62.928 0.14 1 897 416 78 SER CB C 62.428 0.10 1 898 416 78 SER N N 114.252 0.03 1 899 417 79 THR H H 8.018 0.00 1 900 417 79 THR HA H 3.769 0.00 1 901 417 79 THR HB H 4.475 0.00 1 902 417 79 THR HG1 H 5.667 0.00 1 903 417 79 THR HG2 H 1.343 0.00 1 904 417 79 THR C C 175.463 0.00 1 905 417 79 THR CA C 68.426 0.09 1 906 417 79 THR CB C 68.542 0.00 1 907 417 79 THR CG2 C 20.903 0.09 1 908 417 79 THR N N 121.360 0.02 1 909 418 80 MET H H 7.903 0.00 1 910 418 80 MET HA H 4.190 0.00 1 911 418 80 MET HB2 H 2.295 0.00 2 912 418 80 MET HB3 H 2.295 0.00 2 913 418 80 MET HG2 H 2.595 0.00 2 914 418 80 MET HG3 H 2.821 0.00 2 915 418 80 MET HE H 2.130 0.00 1 916 418 80 MET C C 179.669 0.01 1 917 418 80 MET CA C 59.310 0.02 1 918 418 80 MET CB C 31.675 0.14 1 919 418 80 MET CG C 31.879 0.05 1 920 418 80 MET CE C 16.983 0.00 1 921 418 80 MET N N 120.757 0.02 1 922 419 81 LEU H H 8.114 0.00 1 923 419 81 LEU HA H 3.987 0.00 1 924 419 81 LEU HB2 H 2.023 0.00 2 925 419 81 LEU HB3 H 1.362 0.00 2 926 419 81 LEU HG H 1.948 0.00 1 927 419 81 LEU HD1 H 1.013 0.00 2 928 419 81 LEU HD2 H 0.823 0.00 2 929 419 81 LEU C C 177.685 0.00 1 930 419 81 LEU CA C 57.830 0.04 1 931 419 81 LEU CB C 43.736 0.02 1 932 419 81 LEU CG C 27.110 0.00 1 933 419 81 LEU CD1 C 26.824 0.02 2 934 419 81 LEU CD2 C 23.100 0.06 2 935 419 81 LEU N N 120.781 0.01 1 936 420 82 TYR H H 9.232 0.00 1 937 420 82 TYR HA H 4.137 0.00 1 938 420 82 TYR HB2 H 2.982 0.00 2 939 420 82 TYR HB3 H 3.086 0.00 2 940 420 82 TYR HD1 H 7.147 0.00 3 941 420 82 TYR HD2 H 7.147 0.00 3 942 420 82 TYR HE1 H 6.696 0.00 3 943 420 82 TYR HE2 H 6.696 0.00 3 944 420 82 TYR C C 176.772 0.00 1 945 420 82 TYR CA C 62.943 0.03 1 946 420 82 TYR CB C 38.703 0.01 1 947 420 82 TYR CD1 C 132.581 0.04 3 948 420 82 TYR CE1 C 117.821 0.02 3 949 420 82 TYR N N 120.805 0.04 1 950 421 83 ASN H H 8.448 0.00 1 951 421 83 ASN HA H 4.247 0.00 1 952 421 83 ASN HB2 H 2.959 0.00 2 953 421 83 ASN HB3 H 2.717 0.00 2 954 421 83 ASN HD21 H 7.557 0.00 2 955 421 83 ASN HD22 H 6.976 0.00 2 956 421 83 ASN C C 177.213 0.01 1 957 421 83 ASN CA C 55.585 0.02 1 958 421 83 ASN CB C 37.325 0.03 1 959 421 83 ASN N N 116.293 0.02 1 960 421 83 ASN ND2 N 111.148 0.01 1 961 422 84 LYS H H 7.989 0.00 1 962 422 84 LYS HA H 3.948 0.00 1 963 422 84 LYS HB2 H 1.873 0.01 2 964 422 84 LYS HB3 H 1.873 0.01 2 965 422 84 LYS HG2 H 1.397 0.00 2 966 422 84 LYS HG3 H 0.957 0.00 2 967 422 84 LYS HD2 H 1.525 0.00 2 968 422 84 LYS HD3 H 1.385 0.00 2 969 422 84 LYS HE2 H 2.771 0.00 2 970 422 84 LYS HE3 H 2.771 0.00 2 971 422 84 LYS C C 179.677 0.01 1 972 422 84 LYS CA C 59.690 0.04 1 973 422 84 LYS CB C 32.122 0.02 1 974 422 84 LYS CG C 24.891 0.04 1 975 422 84 LYS CD C 29.791 0.05 1 976 422 84 LYS CE C 41.808 0.00 1 977 422 84 LYS N N 122.274 0.02 1 978 423 85 PHE H H 8.064 0.00 1 979 423 85 PHE HA H 4.425 0.00 1 980 423 85 PHE HB2 H 3.123 0.00 2 981 423 85 PHE HB3 H 3.123 0.00 2 982 423 85 PHE HD1 H 7.374 0.00 3 983 423 85 PHE HD2 H 7.374 0.00 3 984 423 85 PHE HE1 H 7.040 0.00 3 985 423 85 PHE HE2 H 7.040 0.00 3 986 423 85 PHE HZ H 7.006 0.00 1 987 423 85 PHE C C 177.025 0.01 1 988 423 85 PHE CA C 61.508 0.03 1 989 423 85 PHE CB C 38.443 0.03 1 990 423 85 PHE CD1 C 131.577 0.04 3 991 423 85 PHE CE1 C 129.864 0.01 3 992 423 85 PHE CZ C 128.276 0.00 1 993 423 85 PHE N N 118.129 0.02 1 994 424 86 LYS H H 8.573 0.00 1 995 424 86 LYS HA H 2.783 0.00 1 996 424 86 LYS HB2 H 0.959 0.00 2 997 424 86 LYS HB3 H 1.513 0.00 2 998 424 86 LYS HG2 H 0.802 0.00 2 999 424 86 LYS HG3 H 0.407 0.00 2 1000 424 86 LYS HD2 H 1.521 0.00 2 1001 424 86 LYS HD3 H 1.459 0.00 2 1002 424 86 LYS HE2 H 2.831 0.00 2 1003 424 86 LYS HE3 H 2.831 0.00 2 1004 424 86 LYS C C 178.371 0.00 1 1005 424 86 LYS CA C 59.722 0.04 1 1006 424 86 LYS CB C 31.869 0.02 1 1007 424 86 LYS CG C 24.040 0.03 1 1008 424 86 LYS CD C 29.492 0.02 1 1009 424 86 LYS CE C 41.751 0.00 1 1010 424 86 LYS N N 120.775 0.02 1 1011 425 87 ASN H H 8.137 0.00 1 1012 425 87 ASN HA H 4.325 0.00 1 1013 425 87 ASN HB2 H 2.724 0.00 2 1014 425 87 ASN HB3 H 2.724 0.00 2 1015 425 87 ASN HD21 H 7.456 0.00 2 1016 425 87 ASN HD22 H 6.811 0.00 2 1017 425 87 ASN C C 177.184 0.01 1 1018 425 87 ASN CA C 55.417 0.02 1 1019 425 87 ASN CB C 38.017 0.03 1 1020 425 87 ASN N N 115.378 0.01 1 1021 425 87 ASN ND2 N 111.850 0.01 1 1022 426 88 MET H H 7.626 0.00 1 1023 426 88 MET HA H 3.965 0.00 1 1024 426 88 MET HB2 H 2.093 0.00 2 1025 426 88 MET HB3 H 1.825 0.00 2 1026 426 88 MET HG2 H 2.480 0.00 2 1027 426 88 MET HG3 H 2.255 0.00 2 1028 426 88 MET HE H 1.717 0.00 1 1029 426 88 MET C C 176.669 0.00 1 1030 426 88 MET CA C 58.513 0.03 1 1031 426 88 MET CB C 32.976 0.01 1 1032 426 88 MET CG C 31.209 0.04 1 1033 426 88 MET CE C 16.544 0.00 1 1034 426 88 MET N N 118.345 0.01 1 1035 427 89 PHE H H 7.380 0.00 1 1036 427 89 PHE HA H 4.442 0.00 1 1037 427 89 PHE HB2 H 3.174 0.00 2 1038 427 89 PHE HB3 H 2.775 0.00 2 1039 427 89 PHE HD1 H 7.645 0.00 3 1040 427 89 PHE HD2 H 7.645 0.00 3 1041 427 89 PHE HE1 H 7.276 0.00 3 1042 427 89 PHE HE2 H 7.276 0.00 3 1043 427 89 PHE HZ H 7.168 0.00 1 1044 427 89 PHE C C 175.703 0.00 1 1045 427 89 PHE CA C 59.798 0.05 1 1046 427 89 PHE CB C 40.064 0.02 1 1047 427 89 PHE CD1 C 132.891 0.02 3 1048 427 89 PHE CE1 C 130.586 0.01 3 1049 427 89 PHE CZ C 129.154 0.01 1 1050 427 89 PHE N N 113.960 0.01 1 1051 428 90 LEU H H 7.854 0.00 1 1052 428 90 LEU HA H 4.329 0.00 1 1053 428 90 LEU HB2 H 1.485 0.00 2 1054 428 90 LEU HB3 H 1.663 0.00 2 1055 428 90 LEU HG H 1.573 0.00 1 1056 428 90 LEU HD1 H 0.768 0.00 2 1057 428 90 LEU HD2 H 0.781 0.00 2 1058 428 90 LEU C C 177.258 0.01 1 1059 428 90 LEU CA C 55.498 0.02 1 1060 428 90 LEU CB C 41.362 0.02 1 1061 428 90 LEU CG C 26.757 0.04 1 1062 428 90 LEU CD1 C 25.239 0.08 2 1063 428 90 LEU CD2 C 23.185 0.00 2 1064 428 90 LEU N N 118.949 0.01 1 1065 429 91 VAL H H 7.796 0.00 1 1066 429 91 VAL HA H 4.044 0.00 1 1067 429 91 VAL HB H 2.060 0.00 1 1068 429 91 VAL HG1 H 0.863 0.00 2 1069 429 91 VAL HG2 H 0.863 0.00 2 1070 429 91 VAL C C 176.738 0.00 1 1071 429 91 VAL CA C 62.703 0.02 1 1072 429 91 VAL CB C 32.400 0.02 1 1073 429 91 VAL CG1 C 20.852 0.06 2 1074 429 91 VAL N N 118.520 0.01 1 1075 430 92 GLY H H 8.201 0.00 1 1076 430 92 GLY HA2 H 3.892 0.00 2 1077 430 92 GLY HA3 H 3.892 0.00 2 1078 430 92 GLY C C 173.999 0.01 1 1079 430 92 GLY CA C 45.230 0.05 1 1080 430 92 GLY N N 111.003 0.01 1 1081 431 93 GLU H H 8.215 0.01 1 1082 431 93 GLU HA H 4.285 0.00 1 1083 431 93 GLU HB2 H 2.054 0.00 2 1084 431 93 GLU HB3 H 1.902 0.00 2 1085 431 93 GLU HG2 H 2.211 0.00 2 1086 431 93 GLU HG3 H 2.211 0.00 2 1087 431 93 GLU C C 176.988 0.01 1 1088 431 93 GLU CA C 56.452 0.06 1 1089 431 93 GLU CB C 30.351 0.00 1 1090 431 93 GLU CG C 36.167 0.00 1 1091 431 93 GLU N N 120.372 0.03 1 1092 432 94 GLY H H 8.430 0.00 1 1093 432 94 GLY HA2 H 3.961 0.00 2 1094 432 94 GLY HA3 H 3.900 0.00 2 1095 432 94 GLY C C 173.980 0.00 1 1096 432 94 GLY CA C 45.338 0.00 1 1097 432 94 GLY N N 109.748 0.01 1 1098 433 95 ASP H H 8.227 0.00 1 1099 433 95 ASP HA H 4.610 0.01 1 1100 433 95 ASP HB2 H 2.679 0.01 2 1101 433 95 ASP HB3 H 2.633 0.01 2 1102 433 95 ASP C C 176.456 0.00 1 1103 433 95 ASP CA C 54.371 0.06 1 1104 433 95 ASP CB C 41.179 0.07 1 1105 433 95 ASP N N 120.432 0.01 1 1106 434 96 SER H H 8.209 0.00 1 1107 434 96 SER HA H 4.439 0.00 1 1108 434 96 SER HB2 H 3.858 0.00 2 1109 434 96 SER HB3 H 3.858 0.00 2 1110 434 96 SER C C 174.590 0.00 1 1111 434 96 SER CA C 58.533 0.03 1 1112 434 96 SER CB C 63.712 0.04 1 1113 434 96 SER N N 115.655 0.00 1 1114 435 97 VAL H H 8.099 0.00 1 1115 435 97 VAL HA H 4.090 0.00 1 1116 435 97 VAL HB H 2.079 0.00 1 1117 435 97 VAL HG1 H 0.894 0.00 2 1118 435 97 VAL HG2 H 0.894 0.00 2 1119 435 97 VAL C C 176.418 0.00 1 1120 435 97 VAL CA C 62.752 0.02 1 1121 435 97 VAL CB C 32.267 0.02 1 1122 435 97 VAL CG1 C 20.852 0.00 2 1123 435 97 VAL N N 121.320 0.01 1 1124 436 98 ILE H H 8.126 0.00 1 1125 436 98 ILE HA H 4.177 0.00 1 1126 436 98 ILE HB H 1.874 0.00 1 1127 436 98 ILE HG12 H 1.460 0.00 2 1128 436 98 ILE HG13 H 1.186 0.00 2 1129 436 98 ILE HG2 H 0.883 0.00 1 1130 436 98 ILE HD1 H 0.823 0.00 1 1131 436 98 ILE C C 176.519 0.01 1 1132 436 98 ILE CA C 61.385 0.02 1 1133 436 98 ILE CB C 38.248 0.04 1 1134 436 98 ILE CG1 C 27.321 0.02 1 1135 436 98 ILE CG2 C 17.482 0.00 1 1136 436 98 ILE CD1 C 12.709 0.00 1 1137 436 98 ILE N N 123.114 0.02 1 1138 437 99 THR H H 8.044 0.01 1 1139 437 99 THR HA H 4.272 0.00 1 1140 437 99 THR HB H 4.204 0.00 1 1141 437 99 THR HG2 H 1.176 0.00 1 1142 437 99 THR C C 174.537 0.00 1 1143 437 99 THR CA C 62.219 0.06 1 1144 437 99 THR CB C 69.392 0.03 1 1145 437 99 THR CG2 C 21.619 0.03 1 1146 437 99 THR N N 116.880 0.02 1 1147 438 100 GLN H H 8.190 0.00 1 1148 438 100 GLN HA H 4.346 0.00 1 1149 438 100 GLN HB2 H 2.084 0.00 2 1150 438 100 GLN HB3 H 1.986 0.00 2 1151 438 100 GLN HG2 H 2.333 0.00 2 1152 438 100 GLN HG3 H 2.333 0.00 2 1153 438 100 GLN HE21 H 7.490 0.00 2 1154 438 100 GLN HE22 H 6.837 0.00 2 1155 438 100 GLN C C 175.813 0.00 1 1156 438 100 GLN CA C 56.008 0.03 1 1157 438 100 GLN CB C 29.352 0.03 1 1158 438 100 GLN CG C 33.733 0.04 1 1159 438 100 GLN N N 122.007 0.01 1 1160 438 100 GLN NE2 N 112.096 0.00 1 1161 439 101 VAL H H 8.065 0.00 1 1162 439 101 VAL HA H 4.053 0.00 1 1163 439 101 VAL HB H 2.061 0.00 1 1164 439 101 VAL HG1 H 0.902 0.00 2 1165 439 101 VAL HG2 H 0.902 0.00 2 1166 439 101 VAL C C 176.201 0.01 1 1167 439 101 VAL CA C 62.584 0.01 1 1168 439 101 VAL CB C 32.298 0.02 1 1169 439 101 VAL CG1 C 21.081 0.00 2 1170 439 101 VAL N N 120.560 0.02 1 1171 440 102 LEU H H 8.220 0.00 1 1172 440 102 LEU HA H 4.317 0.00 1 1173 440 102 LEU HB2 H 1.640 0.01 2 1174 440 102 LEU HB3 H 1.528 0.00 2 1175 440 102 LEU HG H 1.609 0.00 1 1176 440 102 LEU HD1 H 0.878 0.00 2 1177 440 102 LEU HD2 H 0.827 0.00 2 1178 440 102 LEU C C 177.056 0.01 1 1179 440 102 LEU CA C 55.345 0.01 1 1180 440 102 LEU CB C 42.302 0.01 1 1181 440 102 LEU CG C 26.832 0.00 1 1182 440 102 LEU CD1 C 24.769 0.00 2 1183 440 102 LEU CD2 C 23.270 0.00 2 1184 440 102 LEU N N 124.742 0.01 1 1185 441 103 ASN H H 8.382 0.01 1 1186 441 103 ASN HA H 4.649 0.00 1 1187 441 103 ASN HB2 H 2.843 0.00 2 1188 441 103 ASN HB3 H 2.843 0.00 2 1189 441 103 ASN HD21 H 7.597 0.00 2 1190 441 103 ASN HD22 H 6.902 0.00 2 1191 441 103 ASN C C 175.251 0.01 1 1192 441 103 ASN CA C 53.027 0.03 1 1193 441 103 ASN CB C 38.560 0.02 1 1194 441 103 ASN N N 118.620 0.01 1 1195 441 103 ASN ND2 N 112.667 0.03 1 1196 442 104 LYS H H 8.253 0.01 1 1197 442 104 LYS HA H 4.163 0.00 1 1198 442 104 LYS HB2 H 1.867 0.00 2 1199 442 104 LYS HB3 H 1.794 0.00 2 1200 442 104 LYS HG2 H 1.452 0.01 2 1201 442 104 LYS HG3 H 1.394 0.00 2 1202 442 104 LYS HD2 H 1.671 0.00 2 1203 442 104 LYS HD3 H 1.671 0.00 2 1204 442 104 LYS C C 176.986 0.00 1 1205 442 104 LYS CA C 57.426 0.03 1 1206 442 104 LYS CB C 32.466 0.06 1 1207 442 104 LYS CG C 24.800 0.02 1 1208 442 104 LYS N N 120.351 0.02 1 1209 451 105 MET H H 8.265 0.00 1 1210 451 105 MET HA H 4.398 0.00 1 1211 451 105 MET HB2 H 2.093 0.00 2 1212 451 105 MET HB3 H 2.058 0.00 2 1213 451 105 MET HG2 H 2.610 0.00 2 1214 451 105 MET HG3 H 2.521 0.00 2 1215 451 105 MET C C 176.766 0.01 1 1216 451 105 MET CA C 56.112 0.03 1 1217 451 105 MET CB C 32.247 0.07 1 1218 451 105 MET CG C 32.035 0.00 1 1219 451 105 MET N N 119.679 0.01 1 1220 452 106 GLU H H 8.285 0.00 1 1221 452 106 GLU HA H 4.234 0.00 1 1222 452 106 GLU HB2 H 2.023 0.00 2 1223 452 106 GLU HB3 H 1.991 0.00 2 1224 452 106 GLU HG2 H 2.212 0.00 2 1225 452 106 GLU HG3 H 2.267 0.01 2 1226 452 106 GLU C C 176.846 0.01 1 1227 452 106 GLU CA C 56.931 0.02 1 1228 452 106 GLU CB C 30.003 0.02 1 1229 452 106 GLU CG C 36.195 0.03 1 1230 452 106 GLU N N 121.092 0.02 1 1231 453 107 LEU H H 8.156 0.01 1 1232 453 107 LEU HA H 4.250 0.00 1 1233 453 107 LEU HB2 H 1.667 0.01 2 1234 453 107 LEU HB3 H 1.595 0.01 2 1235 453 107 LEU HG H 1.634 0.00 1 1236 453 107 LEU HD1 H 0.865 0.00 2 1237 453 107 LEU HD2 H 0.913 0.00 2 1238 453 107 LEU C C 177.462 0.00 1 1239 453 107 LEU CA C 55.726 0.02 1 1240 453 107 LEU CB C 42.244 0.01 1 1241 453 107 LEU CG C 26.880 0.07 1 1242 453 107 LEU CD1 C 23.581 0.06 2 1243 453 107 LEU CD2 C 24.826 0.11 2 1244 453 107 LEU N N 122.014 0.01 1 1245 454 108 ALA H H 8.170 0.00 1 1246 454 108 ALA HA H 4.317 0.00 1 1247 454 108 ALA HB H 1.433 0.00 1 1248 454 108 ALA C C 178.211 0.00 1 1249 454 108 ALA CA C 53.068 0.02 1 1250 454 108 ALA CB C 19.002 0.03 1 1251 454 108 ALA N N 122.960 0.01 1 1252 455 109 THR H H 7.895 0.00 1 1253 455 109 THR HA H 4.267 0.00 1 1254 455 109 THR HB H 4.208 0.00 1 1255 455 109 THR HG2 H 1.183 0.01 1 1256 455 109 THR C C 174.700 0.01 1 1257 455 109 THR CA C 62.135 0.07 1 1258 455 109 THR CB C 69.554 0.05 1 1259 455 109 THR CG2 C 21.570 0.01 1 1260 455 109 THR N N 111.687 0.01 1 1261 456 110 ARG H H 8.086 0.00 1 1262 456 110 ARG HA H 4.270 0.00 1 1263 456 110 ARG HB2 H 1.728 0.00 2 1264 456 110 ARG HB3 H 1.728 0.00 2 1265 456 110 ARG HG2 H 1.483 0.00 2 1266 456 110 ARG HG3 H 1.483 0.00 2 1267 456 110 ARG HD2 H 3.112 0.00 2 1268 456 110 ARG HD3 H 3.112 0.00 2 1269 456 110 ARG C C 175.867 0.00 1 1270 456 110 ARG CA C 56.299 0.05 1 1271 456 110 ARG CB C 30.635 0.02 1 1272 456 110 ARG CG C 26.789 0.09 1 1273 456 110 ARG CD C 43.258 0.00 1 1274 456 110 ARG N N 122.551 0.01 1 1275 457 111 TYR H H 8.178 0.01 1 1276 457 111 TYR HA H 4.538 0.00 1 1277 457 111 TYR HB2 H 2.995 0.00 2 1278 457 111 TYR HB3 H 2.940 0.00 2 1279 457 111 TYR HD1 H 7.089 0.00 3 1280 457 111 TYR HD2 H 7.089 0.00 3 1281 457 111 TYR HE1 H 6.816 0.00 3 1282 457 111 TYR HE2 H 6.816 0.00 3 1283 457 111 TYR C C 175.056 0.00 1 1284 457 111 TYR CA C 57.963 0.08 1 1285 457 111 TYR CB C 38.882 0.01 1 1286 457 111 TYR CD1 C 132.951 0.03 3 1287 457 111 TYR CE1 C 118.098 0.00 3 1288 457 111 TYR N N 121.021 0.03 1 1289 458 112 GLN H H 7.979 0.00 1 1290 458 112 GLN HA H 4.335 0.00 1 1291 458 112 GLN HB2 H 1.969 0.00 2 1292 458 112 GLN HB3 H 1.886 0.00 2 1293 458 112 GLN HG2 H 2.265 0.00 2 1294 458 112 GLN HG3 H 2.265 0.00 2 1295 458 112 GLN HE21 H 7.502 0.00 2 1296 458 112 GLN HE22 H 6.828 0.00 2 1297 458 112 GLN C C 174.748 0.01 1 1298 458 112 GLN CA C 54.718 0.02 1 1299 458 112 GLN CB C 29.550 0.03 1 1300 458 112 GLN CG C 33.641 0.02 1 1301 458 112 GLN N N 123.311 0.03 1 1302 458 112 GLN NE2 N 112.476 0.01 1 1303 459 113 ILE H H 8.233 0.01 1 1304 459 113 ILE HA H 4.432 0.00 1 1305 459 113 ILE HB H 1.869 0.00 1 1306 459 113 ILE HG12 H 1.679 0.00 2 1307 459 113 ILE HG13 H 1.317 0.00 2 1308 459 113 ILE HG2 H 0.996 0.00 1 1309 459 113 ILE HD1 H 0.941 0.00 1 1310 459 113 ILE C C 174.018 0.00 1 1311 459 113 ILE CA C 58.824 0.00 1 1312 459 113 ILE CB C 38.881 0.00 1 1313 459 113 ILE CG1 C 27.409 0.01 1 1314 459 113 ILE CG2 C 17.041 0.00 1 1315 459 113 ILE CD1 C 13.642 0.00 1 1316 459 113 ILE N N 123.623 0.03 1 1317 460 114 PRO HA H 4.434 0.00 1 1318 460 114 PRO HB2 H 2.508 0.00 2 1319 460 114 PRO HB3 H 1.816 0.00 2 1320 460 114 PRO HG2 H 2.101 0.00 2 1321 460 114 PRO HG3 H 2.029 0.00 2 1322 460 114 PRO HD2 H 4.205 0.00 2 1323 460 114 PRO HD3 H 3.435 0.00 2 1324 460 114 PRO C C 177.801 0.00 1 1325 460 114 PRO CA C 62.861 0.00 1 1326 460 114 PRO CB C 32.332 0.00 1 1327 460 114 PRO CG C 27.959 0.00 1 1328 460 114 PRO CD C 51.138 0.05 1 1329 461 115 LYS H H 8.851 0.00 1 1330 461 115 LYS HA H 3.889 0.00 1 1331 461 115 LYS HB2 H 1.894 0.00 2 1332 461 115 LYS HB3 H 1.725 0.00 2 1333 461 115 LYS HG2 H 1.405 0.00 2 1334 461 115 LYS HG3 H 1.405 0.00 2 1335 461 115 LYS HD2 H 1.698 0.00 2 1336 461 115 LYS HD3 H 1.595 0.00 2 1337 461 115 LYS HE2 H 3.002 0.00 2 1338 461 115 LYS HE3 H 3.002 0.00 2 1339 461 115 LYS C C 177.048 0.01 1 1340 461 115 LYS CA C 59.636 0.04 1 1341 461 115 LYS CB C 32.430 0.02 1 1342 461 115 LYS CG C 24.399 0.01 1 1343 461 115 LYS CD C 28.947 0.07 1 1344 461 115 LYS CE C 42.042 0.00 1 1345 461 115 LYS N N 127.119 0.01 1 1346 462 116 GLU H H 9.342 0.00 1 1347 462 116 GLU HA H 4.033 0.00 1 1348 462 116 GLU HB2 H 1.949 0.00 2 1349 462 116 GLU HB3 H 1.949 0.00 2 1350 462 116 GLU HG2 H 2.297 0.00 2 1351 462 116 GLU HG3 H 2.297 0.00 2 1352 462 116 GLU C C 178.310 0.00 1 1353 462 116 GLU CA C 59.322 0.06 1 1354 462 116 GLU CB C 28.534 0.03 1 1355 462 116 GLU CG C 36.418 0.00 1 1356 462 116 GLU N N 115.121 0.03 1 1357 463 117 VAL H H 7.040 0.00 1 1358 463 117 VAL HA H 3.525 0.00 1 1359 463 117 VAL HB H 1.724 0.00 1 1360 463 117 VAL HG1 H 0.610 0.00 2 1361 463 117 VAL HG2 H 0.115 0.00 2 1362 463 117 VAL C C 176.541 0.00 1 1363 463 117 VAL CA C 64.210 0.04 1 1364 463 117 VAL CB C 31.450 0.02 1 1365 463 117 VAL CG1 C 21.867 0.01 2 1366 463 117 VAL CG2 C 21.262 0.02 2 1367 463 117 VAL N N 115.660 0.01 1 1368 464 118 ALA H H 7.902 0.00 1 1369 464 118 ALA HA H 3.830 0.00 1 1370 464 118 ALA HB H 1.376 0.00 1 1371 464 118 ALA C C 179.459 0.01 1 1372 464 118 ALA CA C 55.563 0.03 1 1373 464 118 ALA CB C 17.883 0.02 1 1374 464 118 ALA N N 123.097 0.02 1 1375 465 119 ASP H H 8.521 0.00 1 1376 465 119 ASP HA H 4.292 0.00 1 1377 465 119 ASP HB2 H 2.526 0.00 2 1378 465 119 ASP HB3 H 2.526 0.00 2 1379 465 119 ASP C C 178.666 0.01 1 1380 465 119 ASP CA C 56.601 0.05 1 1381 465 119 ASP CB C 40.135 0.03 1 1382 465 119 ASP N N 114.768 0.02 1 1383 466 120 ILE H H 7.141 0.00 1 1384 466 120 ILE HA H 3.635 0.00 1 1385 466 120 ILE HB H 1.394 0.00 1 1386 466 120 ILE HG12 H 1.541 0.00 2 1387 466 120 ILE HG13 H 0.890 0.00 2 1388 466 120 ILE HG2 H 0.562 0.00 1 1389 466 120 ILE HD1 H 0.641 0.00 1 1390 466 120 ILE C C 178.059 0.00 1 1391 466 120 ILE CA C 64.226 0.04 1 1392 466 120 ILE CB C 38.038 0.05 1 1393 466 120 ILE CG1 C 27.179 0.03 1 1394 466 120 ILE CG2 C 16.762 0.01 1 1395 466 120 ILE CD1 C 14.152 0.04 1 1396 466 120 ILE N N 118.962 0.01 1 1397 467 121 PHE H H 7.088 0.00 1 1398 467 121 PHE HA H 4.806 0.00 1 1399 467 121 PHE HB2 H 3.207 0.00 2 1400 467 121 PHE HB3 H 2.825 0.00 2 1401 467 121 PHE HD1 H 7.162 0.00 3 1402 467 121 PHE HD2 H 7.162 0.00 3 1403 467 121 PHE HE1 H 6.693 0.00 3 1404 467 121 PHE HE2 H 6.693 0.00 3 1405 467 121 PHE HZ H 6.791 0.00 1 1406 467 121 PHE C C 177.629 0.00 1 1407 467 121 PHE CA C 58.202 0.07 1 1408 467 121 PHE CB C 38.717 0.03 1 1409 467 121 PHE CD1 C 131.211 0.04 3 1410 467 121 PHE CE1 C 130.716 0.02 3 1411 467 121 PHE CZ C 128.529 0.00 1 1412 467 121 PHE N N 116.613 0.02 1 1413 468 122 ASN H H 8.290 0.00 1 1414 468 122 ASN HA H 4.759 0.00 1 1415 468 122 ASN HB2 H 2.877 0.00 2 1416 468 122 ASN HB3 H 2.780 0.00 2 1417 468 122 ASN HD21 H 7.597 0.00 2 1418 468 122 ASN HD22 H 6.883 0.00 2 1419 468 122 ASN C C 175.255 0.01 1 1420 468 122 ASN CA C 53.183 0.02 1 1421 468 122 ASN CB C 38.832 0.03 1 1422 468 122 ASN N N 115.782 0.03 1 1423 468 122 ASN ND2 N 111.570 0.02 1 1424 469 123 ALA H H 7.312 0.00 1 1425 469 123 ALA HA H 4.576 0.00 1 1426 469 123 ALA HB H 1.388 0.00 1 1427 469 123 ALA C C 175.788 0.00 1 1428 469 123 ALA CA C 50.696 0.00 1 1429 469 123 ALA CB C 17.751 0.02 1 1430 469 123 ALA N N 124.420 0.01 1 1431 470 124 PRO HA H 4.496 0.00 1 1432 470 124 PRO HB2 H 2.324 0.00 2 1433 470 124 PRO HB3 H 1.951 0.00 2 1434 470 124 PRO HG2 H 2.024 0.00 2 1435 470 124 PRO HG3 H 2.024 0.00 2 1436 470 124 PRO HD2 H 3.862 0.00 2 1437 470 124 PRO HD3 H 3.657 0.00 2 1438 470 124 PRO C C 176.968 0.00 1 1439 470 124 PRO CA C 62.743 0.03 1 1440 470 124 PRO CB C 32.066 0.02 1 1441 470 124 PRO CG C 27.165 0.02 1 1442 470 124 PRO CD C 50.448 0.04 1 1443 471 125 SER H H 8.538 0.01 1 1444 471 125 SER HA H 4.416 0.00 1 1445 471 125 SER HB2 H 3.788 0.00 2 1446 471 125 SER HB3 H 3.788 0.00 2 1447 471 125 SER C C 173.798 0.00 1 1448 471 125 SER CA C 58.214 0.08 1 1449 471 125 SER CB C 63.879 0.04 1 1450 471 125 SER N N 116.941 0.02 1 1451 472 126 ASP H H 8.421 0.00 1 1452 472 126 ASP HA H 4.611 0.00 1 1453 472 126 ASP HB2 H 2.687 0.00 2 1454 472 126 ASP HB3 H 2.661 0.00 2 1455 472 126 ASP C C 175.704 0.00 1 1456 472 126 ASP CA C 54.102 0.05 1 1457 472 126 ASP CB C 41.511 0.01 1 1458 472 126 ASP N N 123.471 0.01 1 1459 473 127 ASP H H 8.443 0.00 1 1460 473 127 ASP HA H 4.639 0.00 1 1461 473 127 ASP HB2 H 2.707 0.00 2 1462 473 127 ASP HB3 H 2.531 0.00 2 1463 473 127 ASP C C 176.267 0.00 1 1464 473 127 ASP CA C 54.133 0.05 1 1465 473 127 ASP CB C 41.239 0.05 1 1466 473 127 ASP N N 120.423 0.01 1 1467 474 128 GLU H H 8.086 0.00 1 1468 474 128 GLU HA H 4.243 0.00 1 1469 474 128 GLU HB2 H 2.046 0.00 2 1470 474 128 GLU HB3 H 1.987 0.00 2 1471 474 128 GLU HG2 H 2.288 0.00 2 1472 474 128 GLU HG3 H 2.288 0.00 2 1473 474 128 GLU C C 176.248 0.00 1 1474 474 128 GLU CA C 56.199 0.03 1 1475 474 128 GLU CB C 30.531 0.01 1 1476 474 128 GLU CG C 35.907 0.01 1 1477 474 128 GLU N N 120.837 0.02 1 1478 475 129 GLU H H 8.604 0.00 1 1479 475 129 GLU HA H 4.266 0.00 1 1480 475 129 GLU HB2 H 1.955 0.00 2 1481 475 129 GLU HB3 H 1.922 0.00 2 1482 475 129 GLU HG2 H 2.191 0.00 2 1483 475 129 GLU HG3 H 2.099 0.00 2 1484 475 129 GLU C C 175.216 0.01 1 1485 475 129 GLU CA C 56.721 0.03 1 1486 475 129 GLU CB C 30.258 0.04 1 1487 475 129 GLU CG C 36.146 0.00 1 1488 475 129 GLU N N 122.693 0.01 1 1489 476 130 PHE H H 8.229 0.00 1 1490 476 130 PHE HA H 4.837 0.00 1 1491 476 130 PHE HB2 H 3.079 0.00 2 1492 476 130 PHE HB3 H 2.558 0.00 2 1493 476 130 PHE HD1 H 7.088 0.00 3 1494 476 130 PHE HD2 H 7.088 0.00 3 1495 476 130 PHE HE1 H 6.544 0.00 3 1496 476 130 PHE HE2 H 6.544 0.00 3 1497 476 130 PHE HZ H 5.212 0.00 1 1498 476 130 PHE C C 175.274 0.02 1 1499 476 130 PHE CA C 57.151 0.01 1 1500 476 130 PHE CB C 40.917 0.02 1 1501 476 130 PHE CD1 C 131.325 0.04 3 1502 476 130 PHE CE1 C 130.871 0.00 3 1503 476 130 PHE CZ C 129.280 0.00 1 1504 476 130 PHE N N 126.538 0.02 1 1505 477 131 VAL H H 8.224 0.00 1 1506 477 131 VAL HA H 4.325 0.00 1 1507 477 131 VAL HB H 2.255 0.00 1 1508 477 131 VAL HG1 H 0.755 0.00 2 1509 477 131 VAL HG2 H 0.668 0.00 2 1510 477 131 VAL CA C 60.832 0.05 1 1511 477 131 VAL CB C 31.607 0.01 1 1512 477 131 VAL CG1 C 21.112 0.00 2 1513 477 131 VAL CG2 C 18.281 0.00 2 1514 477 131 VAL N N 120.178 0.03 1 1515 478 132 GLY HA2 H 4.300 0.00 2 1516 478 132 GLY HA3 H 3.009 0.01 2 1517 478 132 GLY C C 172.115 0.00 1 1518 478 132 GLY CA C 43.424 0.03 1 1519 479 133 PHE H H 8.871 0.00 1 1520 479 133 PHE HA H 4.684 0.00 1 1521 479 133 PHE HB2 H 3.342 0.00 2 1522 479 133 PHE HB3 H 2.664 0.00 2 1523 479 133 PHE HD1 H 7.547 0.00 3 1524 479 133 PHE HD2 H 7.547 0.00 3 1525 479 133 PHE HE1 H 7.237 0.00 3 1526 479 133 PHE HE2 H 7.237 0.00 3 1527 479 133 PHE HZ H 7.076 0.00 1 1528 479 133 PHE C C 175.977 0.00 1 1529 479 133 PHE CA C 58.704 0.02 1 1530 479 133 PHE CB C 40.882 0.01 1 1531 479 133 PHE CD1 C 132.911 0.00 3 1532 479 133 PHE CE1 C 130.937 0.00 3 1533 479 133 PHE CZ C 129.721 0.00 1 1534 479 133 PHE N N 118.009 0.02 1 1535 480 134 ARG H H 8.916 0.00 1 1536 480 134 ARG HA H 4.543 0.00 1 1537 480 134 ARG HB2 H 1.916 0.00 2 1538 480 134 ARG HB3 H 1.774 0.00 2 1539 480 134 ARG HG2 H 1.652 0.00 2 1540 480 134 ARG HG3 H 1.604 0.00 2 1541 480 134 ARG HD2 H 3.189 0.00 2 1542 480 134 ARG HD3 H 3.189 0.00 2 1543 480 134 ARG C C 175.585 0.01 1 1544 480 134 ARG CA C 55.570 0.02 1 1545 480 134 ARG CB C 31.781 0.01 1 1546 480 134 ARG CG C 27.373 0.00 1 1547 480 134 ARG CD C 43.287 0.02 1 1548 480 134 ARG N N 122.229 0.01 1 1549 481 135 ASP H H 8.538 0.00 1 1550 481 135 ASP HA H 4.678 0.00 1 1551 481 135 ASP HB2 H 2.532 0.00 2 1552 481 135 ASP HB3 H 2.756 0.00 2 1553 481 135 ASP C C 174.855 0.00 1 1554 481 135 ASP CA C 54.247 0.05 1 1555 481 135 ASP CB C 41.289 0.00 1 1556 481 135 ASP N N 121.969 0.02 1 1557 482 136 ASP H H 8.015 0.00 1 1558 482 136 ASP HA H 4.324 0.00 1 1559 482 136 ASP HB2 H 2.561 0.00 2 1560 482 136 ASP HB3 H 2.614 0.00 2 1561 482 136 ASP C C 180.832 0.00 1 1562 482 136 ASP CA C 55.587 0.00 1 1563 482 136 ASP CB C 42.027 0.02 1 1564 482 136 ASP N N 125.880 0.01 1 stop_ save_