data_34181 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the LEDGF/p75 IBD - MLL1 (aa 111-160) complex ; _BMRB_accession_number 34181 _BMRB_flat_file_name bmr34181.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" 869 "13C chemical shifts" 627 "15N chemical shifts" 159 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,Histone-lysine N-methyltransferase 2A (E.C.2.1.1.43)' _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 17963.201 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 165 _Mol_residue_sequence ; SNAASWETSMDSRLQRIHAE IKNSLKIDNLDVNRCIEALD ELASLQVTMQQAQKHTEMIT TLKKIRRFKVSQVIMEKSTM LYNKFKNMFLVGEGDSVITQ VLNKSGGSGSGSGSSGFDAA LQVSAAIGTNLRRFRAVFGE SGGGGGSGEDEQFLGFGSDE EVRVR ; 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 105 449 SER 106 450 GLY 107 451 GLY 108 452 SER 109 453 GLY 110 454 SER 111 455 GLY 112 456 SER 113 457 GLY 114 458 SER 115 459 SER 116 460 GLY 117 461 PHE 118 462 ASP 119 463 ALA 120 464 ALA 121 465 LEU 122 466 GLN 123 467 VAL 124 468 SER 125 469 ALA 126 470 ALA 127 471 ILE 128 472 GLY 129 473 THR 130 474 ASN 131 475 LEU 132 476 ARG 133 477 ARG 134 478 PHE 135 479 ARG 136 480 ALA 137 481 VAL 138 482 PHE 139 483 GLY 140 484 GLU 141 485 SER 142 486 GLY 143 487 GLY 144 488 GLY 145 489 GLY 146 490 GLY 147 491 SER 148 492 GLY 149 493 GLU 150 494 ASP 151 495 GLU 152 496 GLN 153 497 PHE 154 498 LEU 155 499 GLY 156 500 PHE 157 501 GLY 158 502 SER 159 503 ASP 160 504 GLU 161 505 GLU 162 506 VAL 163 507 ARG 164 508 VAL 165 509 ARG 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; KMT2A, ALL1, CXXC7, HRX, HTRX, MLL, MLL1, TRX1' 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-MLL1, 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 YASARA _Version . loop_ _Vendor _Address _Electronic_address KRIEGER . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Task 'structure solution' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version . loop_ _Task 'structure solution' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name CYANA _Version . loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 850 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 200 . mM pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D HNCO' '3D HCCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 340 2 ASN C C 174.907 0.00 1 2 340 2 ASN CA C 53.181 0.00 1 3 340 2 ASN CB C 38.999 0.03 1 4 341 3 ALA H H 8.364 0.00 1 5 341 3 ALA HA H 4.200 0.00 1 6 341 3 ALA HB H 1.361 0.00 1 7 341 3 ALA C C 177.623 0.00 1 8 341 3 ALA CA C 52.905 0.04 1 9 341 3 ALA CB C 19.119 0.02 1 10 341 3 ALA N N 124.790 0.01 1 11 342 4 ALA H H 8.277 0.00 1 12 342 4 ALA HA H 4.257 0.00 1 13 342 4 ALA HB H 1.272 0.00 1 14 342 4 ALA C C 178.232 0.00 1 15 342 4 ALA CA C 52.724 0.07 1 16 342 4 ALA CB C 18.922 0.02 1 17 342 4 ALA N N 123.090 0.01 1 18 343 5 SER H H 8.184 0.00 1 19 343 5 SER HA H 4.374 0.00 1 20 343 5 SER C C 174.939 0.00 1 21 343 5 SER CA C 58.756 0.03 1 22 343 5 SER CB C 63.707 0.02 1 23 343 5 SER N N 114.950 0.01 1 24 344 6 TRP H H 8.034 0.00 1 25 344 6 TRP HA H 4.659 0.00 1 26 344 6 TRP HB2 H 3.364 0.00 2 27 344 6 TRP HB3 H 3.364 0.00 2 28 344 6 TRP HD1 H 7.275 0.00 1 29 344 6 TRP HE1 H 10.199 0.00 1 30 344 6 TRP HE3 H 7.606 0.00 1 31 344 6 TRP HZ2 H 7.504 0.00 1 32 344 6 TRP HZ3 H 7.157 0.00 1 33 344 6 TRP HH2 H 7.238 0.00 1 34 344 6 TRP C C 176.900 0.00 1 35 344 6 TRP CA C 58.114 0.04 1 36 344 6 TRP CB C 29.283 0.04 1 37 344 6 TRP CD1 C 127.280 0.00 1 38 344 6 TRP CE3 C 120.851 0.00 1 39 344 6 TRP CZ2 C 114.807 0.00 1 40 344 6 TRP CZ3 C 122.115 0.00 1 41 344 6 TRP CH2 C 124.718 0.00 1 42 344 6 TRP N N 122.461 0.01 1 43 344 6 TRP NE1 N 129.793 0.00 1 44 345 7 GLU H H 8.283 0.00 1 45 345 7 GLU HA H 4.164 0.00 1 46 345 7 GLU HB2 H 2.009 0.00 2 47 345 7 GLU HB3 H 1.922 0.00 2 48 345 7 GLU HG2 H 2.136 0.00 2 49 345 7 GLU HG3 H 2.095 0.00 2 50 345 7 GLU C C 177.366 0.00 1 51 345 7 GLU CA C 57.895 0.05 1 52 345 7 GLU CB C 30.024 0.07 1 53 345 7 GLU CG C 36.332 0.03 1 54 345 7 GLU N N 121.327 0.01 1 55 346 8 THR H H 8.152 0.00 1 56 346 8 THR HA H 4.372 0.00 1 57 346 8 THR HB H 4.385 0.00 1 58 346 8 THR HG2 H 1.282 0.00 1 59 346 8 THR C C 175.601 0.00 1 60 346 8 THR CA C 62.783 0.04 1 61 346 8 THR CB C 69.819 0.03 1 62 346 8 THR CG2 C 21.794 0.00 1 63 346 8 THR N N 113.695 0.01 1 64 347 9 SER H H 8.338 0.00 1 65 347 9 SER HA H 4.466 0.00 1 66 347 9 SER HB2 H 4.154 0.00 2 67 347 9 SER HB3 H 4.021 0.00 2 68 347 9 SER C C 176.039 0.01 1 69 347 9 SER CA C 59.215 0.02 1 70 347 9 SER CB C 63.846 0.03 1 71 347 9 SER N N 118.286 0.04 1 72 348 10 MET H H 8.643 0.01 1 73 348 10 MET HA H 4.414 0.00 1 74 348 10 MET HB2 H 2.146 0.00 2 75 348 10 MET HB3 H 1.966 0.00 2 76 348 10 MET HG2 H 2.542 0.00 2 77 348 10 MET HG3 H 2.411 0.00 2 78 348 10 MET HE H 2.103 0.00 1 79 348 10 MET C C 177.904 0.00 1 80 348 10 MET CA C 57.244 0.03 1 81 348 10 MET CB C 31.011 0.07 1 82 348 10 MET CG C 32.183 0.01 1 83 348 10 MET CE C 16.818 0.00 1 84 348 10 MET N N 123.450 0.04 1 85 349 11 ASP H H 8.289 0.00 1 86 349 11 ASP HA H 4.454 0.00 1 87 349 11 ASP HB2 H 2.846 0.00 2 88 349 11 ASP HB3 H 2.846 0.00 2 89 349 11 ASP C C 178.168 0.00 1 90 349 11 ASP CA C 58.421 0.02 1 91 349 11 ASP CB C 41.006 0.02 1 92 349 11 ASP N N 118.717 0.03 1 93 350 12 SER H H 7.909 0.00 1 94 350 12 SER HA H 4.236 0.00 1 95 350 12 SER HB2 H 3.941 0.00 2 96 350 12 SER HB3 H 3.941 0.00 2 97 350 12 SER C C 177.259 0.00 1 98 350 12 SER CA C 61.602 0.03 1 99 350 12 SER CB C 62.776 0.03 1 100 350 12 SER N N 114.320 0.01 1 101 351 13 ARG H H 8.056 0.01 1 102 351 13 ARG HA H 4.065 0.00 1 103 351 13 ARG HB2 H 1.988 0.00 2 104 351 13 ARG HB3 H 1.988 0.00 2 105 351 13 ARG HG2 H 1.802 0.00 2 106 351 13 ARG HG3 H 1.585 0.00 2 107 351 13 ARG HD2 H 3.180 0.00 2 108 351 13 ARG HD3 H 3.180 0.00 2 109 351 13 ARG C C 178.516 0.00 1 110 351 13 ARG CA C 59.763 0.05 1 111 351 13 ARG CB C 30.452 0.10 1 112 351 13 ARG CG C 27.186 0.00 1 113 351 13 ARG CD C 43.950 0.00 1 114 351 13 ARG N N 123.596 0.03 1 115 352 14 LEU H H 8.428 0.00 1 116 352 14 LEU HA H 3.858 0.00 1 117 352 14 LEU HB2 H 1.273 0.00 2 118 352 14 LEU HB3 H 0.726 0.00 2 119 352 14 LEU HG H 1.624 0.00 1 120 352 14 LEU HD1 H 0.374 0.00 2 121 352 14 LEU HD2 H 0.571 0.00 2 122 352 14 LEU CA C 58.162 0.03 1 123 352 14 LEU CB C 40.568 0.06 1 124 352 14 LEU CG C 26.344 0.00 1 125 352 14 LEU CD1 C 25.375 0.00 2 126 352 14 LEU CD2 C 23.313 0.00 2 127 352 14 LEU N N 118.279 0.06 1 128 353 15 GLN H H 8.200 0.01 1 129 353 15 GLN HA H 4.295 0.00 1 130 353 15 GLN HB2 H 2.331 0.00 2 131 353 15 GLN HB3 H 2.232 0.00 2 132 353 15 GLN HG2 H 2.735 0.00 2 133 353 15 GLN HG3 H 2.597 0.00 2 134 353 15 GLN HE21 H 7.528 0.00 2 135 353 15 GLN HE22 H 6.910 0.00 2 136 353 15 GLN C C 179.094 0.00 1 137 353 15 GLN CA C 59.521 0.02 1 138 353 15 GLN CB C 28.394 0.03 1 139 353 15 GLN CG C 34.381 0.01 1 140 353 15 GLN N N 119.356 0.03 1 141 353 15 GLN NE2 N 111.352 0.00 1 142 354 16 ARG H H 8.008 0.00 1 143 354 16 ARG HA H 4.158 0.00 1 144 354 16 ARG HB2 H 2.070 0.00 2 145 354 16 ARG HB3 H 1.943 0.01 2 146 354 16 ARG HG2 H 1.729 0.00 2 147 354 16 ARG HG3 H 1.612 0.00 2 148 354 16 ARG HD2 H 3.249 0.00 2 149 354 16 ARG HD3 H 3.154 0.00 2 150 354 16 ARG C C 178.752 0.00 1 151 354 16 ARG CA C 59.685 0.04 1 152 354 16 ARG CB C 29.074 0.02 1 153 354 16 ARG CG C 26.944 0.05 1 154 354 16 ARG CD C 42.916 0.05 1 155 354 16 ARG N N 121.843 0.03 1 156 355 17 ILE H H 8.403 0.00 1 157 355 17 ILE HA H 3.620 0.00 1 158 355 17 ILE HB H 1.840 0.00 1 159 355 17 ILE HG12 H 1.894 0.00 2 160 355 17 ILE HG13 H 1.068 0.00 2 161 355 17 ILE HG2 H 0.971 0.00 1 162 355 17 ILE HD1 H 0.752 0.00 1 163 355 17 ILE C C 177.593 0.00 1 164 355 17 ILE CA C 65.770 0.07 1 165 355 17 ILE CB C 38.717 0.08 1 166 355 17 ILE CG1 C 30.345 0.01 1 167 355 17 ILE CG2 C 18.329 0.00 1 168 355 17 ILE CD1 C 15.308 0.04 1 169 355 17 ILE N N 120.716 0.02 1 170 356 18 HIS H H 8.384 0.00 1 171 356 18 HIS HA H 4.299 0.00 1 172 356 18 HIS HB2 H 3.422 0.00 2 173 356 18 HIS HB3 H 3.205 0.00 2 174 356 18 HIS HD2 H 6.784 0.00 1 175 356 18 HIS HE1 H 7.444 0.00 1 176 356 18 HIS C C 176.572 0.00 1 177 356 18 HIS CA C 58.128 0.04 1 178 356 18 HIS CB C 29.795 0.04 1 179 356 18 HIS CD2 C 124.862 0.00 1 180 356 18 HIS CE1 C 137.790 0.00 1 181 356 18 HIS N N 118.018 0.05 1 182 357 19 ALA H H 7.928 0.00 1 183 357 19 ALA HA H 3.781 0.00 1 184 357 19 ALA HB H 1.478 0.00 1 185 357 19 ALA C C 179.828 0.00 1 186 357 19 ALA CA C 55.325 0.04 1 187 357 19 ALA CB C 17.776 0.02 1 188 357 19 ALA N N 119.515 0.02 1 189 358 20 GLU H H 8.490 0.01 1 190 358 20 GLU HA H 3.995 0.00 1 191 358 20 GLU HB2 H 2.409 0.00 2 192 358 20 GLU HB3 H 1.989 0.00 2 193 358 20 GLU HG2 H 2.402 0.00 2 194 358 20 GLU HG3 H 2.344 0.00 2 195 358 20 GLU C C 180.064 0.00 1 196 358 20 GLU CA C 59.184 0.03 1 197 358 20 GLU CB C 30.776 0.05 1 198 358 20 GLU CG C 36.626 0.01 1 199 358 20 GLU N N 118.477 0.04 1 200 359 21 ILE H H 8.300 0.00 1 201 359 21 ILE HA H 3.585 0.00 1 202 359 21 ILE HB H 2.050 0.00 1 203 359 21 ILE HG12 H 2.095 0.00 2 204 359 21 ILE HG13 H 0.941 0.00 2 205 359 21 ILE HG2 H 0.850 0.00 1 206 359 21 ILE HD1 H 0.776 0.00 1 207 359 21 ILE C C 177.102 0.00 1 208 359 21 ILE CA C 66.499 0.04 1 209 359 21 ILE CB C 38.756 0.08 1 210 359 21 ILE CG1 C 29.062 0.01 1 211 359 21 ILE CG2 C 17.724 0.00 1 212 359 21 ILE CD1 C 14.379 0.03 1 213 359 21 ILE N N 121.439 0.02 1 214 360 22 LYS H H 7.761 0.00 1 215 360 22 LYS HA H 3.596 0.01 1 216 360 22 LYS HB2 H 1.396 0.00 2 217 360 22 LYS HB3 H 1.138 0.00 2 218 360 22 LYS HG2 H 0.980 0.00 2 219 360 22 LYS HG3 H 0.346 0.01 2 220 360 22 LYS HD2 H 1.034 0.00 2 221 360 22 LYS HD3 H 0.975 0.00 2 222 360 22 LYS HE2 H 2.294 0.00 2 223 360 22 LYS HE3 H 1.973 0.00 2 224 360 22 LYS C C 178.939 0.00 1 225 360 22 LYS CA C 59.914 0.05 1 226 360 22 LYS CB C 31.655 0.05 1 227 360 22 LYS CG C 25.124 0.06 1 228 360 22 LYS CD C 28.814 0.02 1 229 360 22 LYS CE C 40.987 0.00 1 230 360 22 LYS N N 115.734 0.04 1 231 361 23 ASN H H 8.570 0.00 1 232 361 23 ASN HA H 4.426 0.00 1 233 361 23 ASN HB2 H 2.806 0.00 2 234 361 23 ASN HB3 H 2.681 0.00 2 235 361 23 ASN HD21 H 7.467 0.00 2 236 361 23 ASN HD22 H 7.015 0.00 2 237 361 23 ASN C C 178.227 0.00 1 238 361 23 ASN CA C 55.628 0.04 1 239 361 23 ASN CB C 38.781 0.05 1 240 361 23 ASN N N 114.247 0.02 1 241 361 23 ASN ND2 N 112.776 0.01 1 242 362 24 SER H H 8.078 0.00 1 243 362 24 SER HA H 4.389 0.00 1 244 362 24 SER HB2 H 3.998 0.00 2 245 362 24 SER HB3 H 3.998 0.00 2 246 362 24 SER C C 173.822 0.00 1 247 362 24 SER CA C 61.823 0.04 1 248 362 24 SER CB C 63.064 0.04 1 249 362 24 SER N N 114.981 0.04 1 250 363 25 LEU H H 7.136 0.00 1 251 363 25 LEU HA H 4.751 0.00 1 252 363 25 LEU HB2 H 1.930 0.00 2 253 363 25 LEU HB3 H 1.505 0.00 2 254 363 25 LEU HG H 1.830 0.00 1 255 363 25 LEU HD1 H 0.374 0.00 2 256 363 25 LEU HD2 H 0.603 0.00 2 257 363 25 LEU C C 175.608 0.00 1 258 363 25 LEU CA C 52.750 0.07 1 259 363 25 LEU CB C 40.634 0.05 1 260 363 25 LEU CG C 25.960 0.00 1 261 363 25 LEU CD1 C 21.788 0.00 2 262 363 25 LEU CD2 C 26.671 0.00 2 263 363 25 LEU N N 119.647 0.03 1 264 364 26 LYS H H 6.864 0.00 1 265 364 26 LYS HA H 4.599 0.00 1 266 364 26 LYS HB2 H 1.892 0.00 2 267 364 26 LYS HB3 H 1.825 0.00 2 268 364 26 LYS HG2 H 1.822 0.00 2 269 364 26 LYS HG3 H 1.581 0.00 2 270 364 26 LYS HD2 H 1.803 0.00 2 271 364 26 LYS HD3 H 1.803 0.00 2 272 364 26 LYS HE2 H 3.077 0.00 2 273 364 26 LYS HE3 H 3.077 0.00 2 274 364 26 LYS CA C 56.720 0.05 1 275 364 26 LYS CB C 33.209 0.01 1 276 364 26 LYS CG C 25.222 0.02 1 277 364 26 LYS CD C 29.472 0.00 1 278 364 26 LYS CE C 42.136 0.00 1 279 364 26 LYS N N 121.752 0.02 1 280 365 27 ILE H H 8.426 0.00 1 281 365 27 ILE HA H 3.712 0.00 1 282 365 27 ILE HB H 1.518 0.00 1 283 365 27 ILE HG12 H 1.340 0.00 2 284 365 27 ILE HG13 H 0.989 0.00 2 285 365 27 ILE HG2 H 0.859 0.00 1 286 365 27 ILE HD1 H 0.672 0.00 1 287 365 27 ILE CA C 64.440 0.04 1 288 365 27 ILE CB C 38.925 0.02 1 289 365 27 ILE CG1 C 28.605 0.09 1 290 365 27 ILE CG2 C 16.979 0.00 1 291 365 27 ILE CD1 C 13.809 0.00 1 292 365 27 ILE N N 123.777 0.03 1 293 366 28 ASP HA H 4.530 0.00 1 294 366 28 ASP HB2 H 2.870 0.00 2 295 366 28 ASP HB3 H 2.735 0.00 2 296 366 28 ASP CA C 54.842 0.00 1 297 366 28 ASP CB C 40.258 0.01 1 298 367 29 ASN HA H 4.841 0.00 1 299 367 29 ASN HB2 H 2.784 0.00 2 300 367 29 ASN HB3 H 2.516 0.00 2 301 367 29 ASN HD21 H 7.384 0.00 2 302 367 29 ASN HD22 H 6.940 0.00 2 303 367 29 ASN CB C 39.376 0.01 1 304 367 29 ASN ND2 N 111.987 0.00 1 305 368 30 LEU H H 8.291 0.00 1 306 368 30 LEU HA H 4.355 0.00 1 307 368 30 LEU HB2 H 1.999 0.00 2 308 368 30 LEU HB3 H 1.410 0.00 2 309 368 30 LEU HG H 1.906 0.00 1 310 368 30 LEU HD1 H 1.145 0.00 2 311 368 30 LEU HD2 H 0.969 0.00 2 312 368 30 LEU C C 177.835 0.00 1 313 368 30 LEU CA C 56.220 0.04 1 314 368 30 LEU CB C 43.100 0.02 1 315 368 30 LEU CG C 26.571 0.00 1 316 368 30 LEU CD1 C 25.959 0.00 2 317 368 30 LEU CD2 C 24.381 0.00 2 318 368 30 LEU N N 122.276 0.00 1 319 369 31 ASP H H 9.490 0.00 1 320 369 31 ASP HA H 4.904 0.00 1 321 369 31 ASP HB2 H 3.071 0.00 2 322 369 31 ASP HB3 H 2.531 0.00 2 323 369 31 ASP C C 175.649 0.00 1 324 369 31 ASP CA C 52.306 0.02 1 325 369 31 ASP CB C 40.947 0.03 1 326 369 31 ASP N N 125.973 0.05 1 327 370 32 VAL H H 8.417 0.00 1 328 370 32 VAL HA H 3.573 0.00 1 329 370 32 VAL HB H 2.208 0.00 1 330 370 32 VAL HG1 H 1.198 0.00 2 331 370 32 VAL HG2 H 1.172 0.00 2 332 370 32 VAL C C 177.931 0.00 1 333 370 32 VAL CA C 66.695 0.08 1 334 370 32 VAL CB C 32.202 0.07 1 335 370 32 VAL CG1 C 21.629 0.00 2 336 370 32 VAL CG2 C 21.679 0.00 2 337 370 32 VAL N N 122.124 0.05 1 338 371 33 ASN H H 8.659 0.00 1 339 371 33 ASN HA H 4.484 0.00 1 340 371 33 ASN HB2 H 2.930 0.00 2 341 371 33 ASN HB3 H 2.864 0.00 2 342 371 33 ASN HD21 H 7.788 0.00 2 343 371 33 ASN HD22 H 6.962 0.00 2 344 371 33 ASN C C 177.683 0.00 1 345 371 33 ASN CA C 56.787 0.03 1 346 371 33 ASN CB C 37.746 0.04 1 347 371 33 ASN N N 117.826 0.04 1 348 371 33 ASN ND2 N 113.129 0.00 1 349 372 34 ARG H H 7.619 0.00 1 350 372 34 ARG HA H 4.136 0.00 1 351 372 34 ARG HB2 H 1.839 0.00 2 352 372 34 ARG HB3 H 1.839 0.00 2 353 372 34 ARG HG2 H 1.807 0.00 2 354 372 34 ARG HG3 H 1.529 0.00 2 355 372 34 ARG HD2 H 3.257 0.00 2 356 372 34 ARG HD3 H 3.023 0.00 2 357 372 34 ARG HE H 8.014 0.00 1 358 372 34 ARG C C 178.538 0.00 1 359 372 34 ARG CA C 58.780 0.03 1 360 372 34 ARG CB C 30.940 0.09 1 361 372 34 ARG CG C 27.126 0.05 1 362 372 34 ARG CD C 44.450 0.04 1 363 372 34 ARG N N 121.697 0.01 1 364 372 34 ARG NE N 86.595 0.00 1 365 373 35 CYS H H 7.762 0.00 1 366 373 35 CYS HA H 3.945 0.00 1 367 373 35 CYS HB2 H 3.214 0.00 2 368 373 35 CYS HB3 H 3.148 0.00 2 369 373 35 CYS C C 176.877 0.00 1 370 373 35 CYS CA C 63.356 0.03 1 371 373 35 CYS CB C 26.980 0.03 1 372 373 35 CYS N N 120.415 0.04 1 373 374 36 ILE H H 8.479 0.00 1 374 374 36 ILE HA H 3.387 0.00 1 375 374 36 ILE HB H 1.969 0.00 1 376 374 36 ILE HG12 H 1.977 0.00 2 377 374 36 ILE HG13 H 0.672 0.00 2 378 374 36 ILE HG2 H 0.895 0.00 1 379 374 36 ILE HD1 H 0.943 0.00 1 380 374 36 ILE C C 176.984 0.00 1 381 374 36 ILE CA C 67.106 0.02 1 382 374 36 ILE CB C 38.109 0.03 1 383 374 36 ILE CG1 C 31.526 0.04 1 384 374 36 ILE CG2 C 17.690 0.01 1 385 374 36 ILE CD1 C 14.320 0.04 1 386 374 36 ILE N N 119.515 0.04 1 387 375 37 GLU H H 7.945 0.00 1 388 375 37 GLU HA H 4.119 0.00 1 389 375 37 GLU HB2 H 2.166 0.00 2 390 375 37 GLU HB3 H 2.079 0.00 2 391 375 37 GLU HG2 H 2.532 0.00 2 392 375 37 GLU HG3 H 2.328 0.00 2 393 375 37 GLU C C 179.791 0.01 1 394 375 37 GLU CA C 59.957 0.05 1 395 375 37 GLU CB C 29.451 0.15 1 396 375 37 GLU CG C 36.625 0.02 1 397 375 37 GLU N N 117.766 0.05 1 398 376 38 ALA H H 7.551 0.00 1 399 376 38 ALA HA H 4.423 0.00 1 400 376 38 ALA HB H 1.625 0.00 1 401 376 38 ALA C C 179.524 0.01 1 402 376 38 ALA CA C 55.364 0.02 1 403 376 38 ALA CB C 18.488 0.04 1 404 376 38 ALA N N 122.967 0.02 1 405 377 39 LEU H H 8.505 0.00 1 406 377 39 LEU HA H 3.956 0.00 1 407 377 39 LEU HB2 H 2.086 0.00 2 408 377 39 LEU HB3 H 1.250 0.00 2 409 377 39 LEU HG H 2.079 0.00 1 410 377 39 LEU HD1 H 0.926 0.00 2 411 377 39 LEU HD2 H 0.706 0.00 2 412 377 39 LEU C C 179.902 0.00 1 413 377 39 LEU CA C 57.921 0.03 1 414 377 39 LEU CB C 41.314 0.03 1 415 377 39 LEU CG C 26.583 0.00 1 416 377 39 LEU CD1 C 28.223 0.00 2 417 377 39 LEU CD2 C 23.218 0.00 2 418 377 39 LEU N N 118.313 0.02 1 419 378 40 ASP H H 8.983 0.00 1 420 378 40 ASP HA H 4.492 0.00 1 421 378 40 ASP HB2 H 2.775 0.00 2 422 378 40 ASP HB3 H 2.582 0.00 2 423 378 40 ASP C C 179.556 0.00 1 424 378 40 ASP CA C 57.357 0.02 1 425 378 40 ASP CB C 39.313 0.04 1 426 378 40 ASP N N 121.595 0.02 1 427 379 41 GLU H H 8.165 0.00 1 428 379 41 GLU HA H 4.024 0.00 1 429 379 41 GLU HB2 H 2.178 0.00 2 430 379 41 GLU HB3 H 2.178 0.00 2 431 379 41 GLU HG2 H 2.370 0.00 2 432 379 41 GLU HG3 H 2.074 0.00 2 433 379 41 GLU C C 180.505 0.00 1 434 379 41 GLU CA C 59.781 0.04 1 435 379 41 GLU CB C 28.714 0.05 1 436 379 41 GLU CG C 36.210 0.01 1 437 379 41 GLU N N 123.533 0.02 1 438 380 42 LEU H H 8.555 0.00 1 439 380 42 LEU HA H 4.028 0.00 1 440 380 42 LEU HB2 H 2.281 0.00 2 441 380 42 LEU HB3 H 1.762 0.00 2 442 380 42 LEU HG H 1.780 0.00 1 443 380 42 LEU HD1 H 1.091 0.00 2 444 380 42 LEU HD2 H 1.061 0.00 2 445 380 42 LEU C C 178.772 0.02 1 446 380 42 LEU CA C 58.050 0.04 1 447 380 42 LEU CB C 41.130 0.03 1 448 380 42 LEU CG C 27.186 0.00 1 449 380 42 LEU CD1 C 26.670 0.00 2 450 380 42 LEU CD2 C 23.481 0.00 2 451 380 42 LEU N N 121.484 0.03 1 452 381 43 ALA H H 8.394 0.00 1 453 381 43 ALA HA H 4.050 0.00 1 454 381 43 ALA HB H 1.610 0.00 1 455 381 43 ALA C C 177.822 0.00 1 456 381 43 ALA CA C 54.362 0.03 1 457 381 43 ALA CB C 18.765 0.03 1 458 381 43 ALA N N 119.036 0.01 1 459 382 44 SER H H 7.578 0.00 1 460 382 44 SER HA H 4.462 0.00 1 461 382 44 SER HB2 H 4.098 0.00 2 462 382 44 SER HB3 H 3.996 0.00 2 463 382 44 SER C C 174.208 0.00 1 464 382 44 SER CA C 59.387 0.04 1 465 382 44 SER CB C 64.499 0.02 1 466 382 44 SER N N 112.141 0.03 1 467 383 45 LEU H H 7.322 0.00 1 468 383 45 LEU HA H 4.425 0.00 1 469 383 45 LEU HB2 H 1.877 0.00 2 470 383 45 LEU HB3 H 1.302 0.00 2 471 383 45 LEU HG H 2.068 0.00 1 472 383 45 LEU HD1 H 0.788 0.00 2 473 383 45 LEU HD2 H 0.780 0.00 2 474 383 45 LEU C C 177.072 0.00 1 475 383 45 LEU CA C 54.571 0.03 1 476 383 45 LEU CB C 43.232 0.03 1 477 383 45 LEU CG C 25.750 0.00 1 478 383 45 LEU CD1 C 25.950 0.00 2 479 383 45 LEU CD2 C 22.420 0.00 2 480 383 45 LEU N N 122.258 0.02 1 481 384 46 GLN H H 8.695 0.01 1 482 384 46 GLN HA H 4.489 0.00 1 483 384 46 GLN HB2 H 2.081 0.00 2 484 384 46 GLN HB3 H 2.011 0.00 2 485 384 46 GLN HG2 H 2.357 0.00 2 486 384 46 GLN HG3 H 2.318 0.00 2 487 384 46 GLN HE21 H 7.457 0.00 2 488 384 46 GLN HE22 H 6.817 0.00 2 489 384 46 GLN C C 174.446 0.00 1 490 384 46 GLN CA C 54.936 0.06 1 491 384 46 GLN CB C 27.530 0.04 1 492 384 46 GLN CG C 33.721 0.02 1 493 384 46 GLN N N 123.960 0.03 1 494 384 46 GLN NE2 N 112.631 0.02 1 495 385 47 VAL H H 7.844 0.00 1 496 385 47 VAL HA H 4.476 0.00 1 497 385 47 VAL HB H 2.010 0.00 1 498 385 47 VAL HG1 H 1.040 0.00 2 499 385 47 VAL HG2 H 0.967 0.00 2 500 385 47 VAL C C 176.171 0.00 1 501 385 47 VAL CA C 61.536 0.06 1 502 385 47 VAL CB C 33.832 0.06 1 503 385 47 VAL CG1 C 22.046 0.00 2 504 385 47 VAL CG2 C 22.063 0.00 2 505 385 47 VAL N N 123.647 0.02 1 506 386 48 THR H H 8.542 0.01 1 507 386 48 THR HA H 4.603 0.00 1 508 386 48 THR HB H 4.475 0.00 1 509 386 48 THR HG1 H 5.577 0.00 1 510 386 48 THR HG2 H 1.325 0.00 1 511 386 48 THR C C 175.703 0.00 1 512 386 48 THR CA C 60.327 0.02 1 513 386 48 THR CB C 71.753 0.05 1 514 386 48 THR CG2 C 21.719 0.00 1 515 386 48 THR N N 116.747 0.02 1 516 387 49 MET H H 9.072 0.00 1 517 387 49 MET HA H 3.937 0.00 1 518 387 49 MET HB2 H 1.977 0.00 2 519 387 49 MET HB3 H 1.940 0.00 2 520 387 49 MET HG2 H 2.141 0.00 2 521 387 49 MET HG3 H 2.141 0.00 2 522 387 49 MET HE H 1.842 0.00 1 523 387 49 MET C C 177.714 0.01 1 524 387 49 MET CA C 59.401 0.03 1 525 387 49 MET CB C 32.468 0.01 1 526 387 49 MET CG C 31.855 0.02 1 527 387 49 MET CE C 17.508 0.00 1 528 387 49 MET N N 121.477 0.04 1 529 388 50 GLN H H 8.370 0.00 1 530 388 50 GLN HA H 3.978 0.00 1 531 388 50 GLN HB2 H 2.105 0.00 2 532 388 50 GLN HB3 H 2.011 0.00 2 533 388 50 GLN HG2 H 2.511 0.00 2 534 388 50 GLN HG3 H 2.450 0.00 2 535 388 50 GLN C C 179.115 0.00 1 536 388 50 GLN CA C 59.593 0.02 1 537 388 50 GLN CB C 28.059 0.03 1 538 388 50 GLN CG C 34.550 0.02 1 539 388 50 GLN N N 116.798 0.03 1 540 389 51 GLN H H 7.552 0.00 1 541 389 51 GLN HA H 4.176 0.00 1 542 389 51 GLN HB2 H 2.463 0.00 2 543 389 51 GLN HB3 H 1.758 0.00 2 544 389 51 GLN HG2 H 2.537 0.00 2 545 389 51 GLN HG3 H 2.437 0.00 2 546 389 51 GLN HE21 H 7.577 0.00 2 547 389 51 GLN HE22 H 6.696 0.00 2 548 389 51 GLN CA C 58.365 0.01 1 549 389 51 GLN CB C 28.653 0.06 1 550 389 51 GLN CG C 34.197 0.02 1 551 389 51 GLN N N 117.876 0.02 1 552 389 51 GLN NE2 N 109.538 0.00 1 553 390 52 ALA H H 8.687 0.00 1 554 390 52 ALA HA H 3.810 0.00 1 555 390 52 ALA HB H 1.496 0.00 1 556 390 52 ALA C C 178.778 0.00 1 557 390 52 ALA CA C 55.483 0.05 1 558 390 52 ALA CB C 18.595 0.05 1 559 390 52 ALA N N 121.466 0.08 1 560 391 53 GLN H H 7.924 0.01 1 561 391 53 GLN HA H 3.859 0.00 1 562 391 53 GLN HB2 H 2.170 0.00 2 563 391 53 GLN HB3 H 2.060 0.00 2 564 391 53 GLN HG2 H 2.417 0.00 2 565 391 53 GLN HG3 H 2.178 0.00 2 566 391 53 GLN HE21 H 7.039 0.00 2 567 391 53 GLN HE22 H 6.809 0.00 2 568 391 53 GLN C C 177.024 0.00 1 569 391 53 GLN CA C 58.460 0.01 1 570 391 53 GLN CB C 28.571 0.07 1 571 391 53 GLN CG C 34.187 0.01 1 572 391 53 GLN N N 112.989 0.04 1 573 391 53 GLN NE2 N 110.081 0.00 1 574 392 54 LYS H H 7.376 0.01 1 575 392 54 LYS HA H 4.257 0.00 1 576 392 54 LYS HB2 H 1.765 0.01 2 577 392 54 LYS HB3 H 1.765 0.01 2 578 392 54 LYS HG2 H 1.464 0.00 2 579 392 54 LYS HG3 H 1.318 0.00 2 580 392 54 LYS HD2 H 1.761 0.00 2 581 392 54 LYS HD3 H 1.761 0.00 2 582 392 54 LYS HE2 H 3.045 0.00 2 583 392 54 LYS HE3 H 2.973 0.00 2 584 392 54 LYS C C 176.656 0.00 1 585 392 54 LYS CA C 57.202 0.06 1 586 392 54 LYS CB C 32.857 0.04 1 587 392 54 LYS CG C 25.333 0.02 1 588 392 54 LYS CD C 29.341 0.00 1 589 392 54 LYS N N 116.967 0.06 1 590 393 55 HIS H H 7.835 0.00 1 591 393 55 HIS HA H 4.940 0.01 1 592 393 55 HIS HB2 H 3.348 0.00 2 593 393 55 HIS HB3 H 2.538 0.00 2 594 393 55 HIS HD2 H 7.426 0.02 1 595 393 55 HIS C C 175.928 0.00 1 596 393 55 HIS CA C 55.747 0.11 1 597 393 55 HIS CB C 29.924 0.18 1 598 393 55 HIS CD2 C 120.173 0.00 1 599 393 55 HIS N N 119.697 0.08 1 600 394 56 THR H H 7.635 0.01 1 601 394 56 THR HA H 3.753 0.00 1 602 394 56 THR HB H 4.089 0.00 1 603 394 56 THR HG2 H 1.214 0.00 1 604 394 56 THR C C 177.256 0.00 1 605 394 56 THR CA C 66.135 0.02 1 606 394 56 THR CB C 68.362 0.03 1 607 394 56 THR CG2 C 22.445 0.01 1 608 394 56 THR N N 112.438 0.05 1 609 395 57 GLU H H 8.967 0.02 1 610 395 57 GLU HA H 4.092 0.01 1 611 395 57 GLU HB2 H 2.094 0.01 2 612 395 57 GLU HB3 H 2.094 0.01 2 613 395 57 GLU HG2 H 2.355 0.00 2 614 395 57 GLU HG3 H 2.355 0.00 2 615 395 57 GLU C C 178.436 0.00 1 616 395 57 GLU CA C 59.724 0.04 1 617 395 57 GLU CB C 28.286 0.07 1 618 395 57 GLU CG C 36.665 0.00 1 619 395 57 GLU N N 122.460 0.05 1 620 396 58 MET H H 7.755 0.01 1 621 396 58 MET HA H 3.004 0.00 1 622 396 58 MET HB2 H 2.192 0.00 2 623 396 58 MET HB3 H 1.582 0.00 2 624 396 58 MET HG2 H 2.066 0.00 2 625 396 58 MET HG3 H 1.858 0.00 2 626 396 58 MET HE H 1.793 0.00 1 627 396 58 MET C C 177.358 0.01 1 628 396 58 MET CA C 58.094 0.07 1 629 396 58 MET CB C 32.562 0.01 1 630 396 58 MET CG C 31.307 0.21 1 631 396 58 MET CE C 17.249 0.00 1 632 396 58 MET N N 120.398 0.04 1 633 397 59 ILE H H 7.320 0.01 1 634 397 59 ILE HA H 3.463 0.00 1 635 397 59 ILE HB H 1.904 0.00 1 636 397 59 ILE HG12 H 1.505 0.00 2 637 397 59 ILE HG13 H 0.581 0.00 2 638 397 59 ILE HG2 H 0.800 0.00 1 639 397 59 ILE HD1 H 0.584 0.00 1 640 397 59 ILE C C 177.546 0.00 1 641 397 59 ILE CA C 65.511 0.08 1 642 397 59 ILE CB C 36.836 0.01 1 643 397 59 ILE CG1 C 28.915 0.00 1 644 397 59 ILE CG2 C 18.710 0.00 1 645 397 59 ILE CD1 C 13.164 0.02 1 646 397 59 ILE N N 119.403 0.04 1 647 398 60 THR H H 7.967 0.01 1 648 398 60 THR HA H 3.851 0.00 1 649 398 60 THR HB H 4.392 0.00 1 650 398 60 THR HG2 H 1.266 0.00 1 651 398 60 THR C C 176.556 0.00 1 652 398 60 THR CA C 66.983 0.03 1 653 398 60 THR CB C 68.285 0.03 1 654 398 60 THR CG2 C 22.340 0.00 1 655 398 60 THR N N 117.069 0.02 1 656 399 61 THR H H 8.091 0.01 1 657 399 61 THR HA H 4.486 0.00 1 658 399 61 THR HB H 3.867 0.00 1 659 399 61 THR HG2 H 1.270 0.00 1 660 399 61 THR C C 175.916 0.00 1 661 399 61 THR CA C 66.804 0.05 1 662 399 61 THR CB C 67.587 0.02 1 663 399 61 THR CG2 C 24.120 0.00 1 664 399 61 THR N N 121.883 0.04 1 665 400 62 LEU H H 8.086 0.01 1 666 400 62 LEU HA H 3.923 0.00 1 667 400 62 LEU HB2 H 2.329 0.00 2 668 400 62 LEU HB3 H 1.468 0.00 2 669 400 62 LEU HG H 1.987 0.00 1 670 400 62 LEU HD1 H 0.954 0.00 2 671 400 62 LEU HD2 H 0.829 0.00 2 672 400 62 LEU C C 177.125 0.00 1 673 400 62 LEU CA C 57.998 0.04 1 674 400 62 LEU CB C 42.237 0.03 1 675 400 62 LEU CG C 26.489 0.00 1 676 400 62 LEU CD1 C 26.513 0.00 2 677 400 62 LEU CD2 C 22.872 0.00 2 678 400 62 LEU N N 120.008 0.00 1 679 401 63 LYS H H 8.119 0.01 1 680 401 63 LYS HA H 2.920 0.00 1 681 401 63 LYS HB2 H 2.088 0.00 2 682 401 63 LYS HB3 H 1.715 0.00 2 683 401 63 LYS HG2 H 1.090 0.01 2 684 401 63 LYS HG3 H 0.602 0.00 2 685 401 63 LYS HE2 H 2.925 0.00 2 686 401 63 LYS HE3 H 2.925 0.00 2 687 401 63 LYS C C 179.908 0.00 1 688 401 63 LYS CA C 59.249 0.06 1 689 401 63 LYS CB C 33.477 0.06 1 690 401 63 LYS CG C 25.565 0.05 1 691 401 63 LYS CE C 42.455 0.00 1 692 401 63 LYS N N 116.291 0.02 1 693 402 64 LYS H H 7.633 0.01 1 694 402 64 LYS HA H 3.860 0.01 1 695 402 64 LYS HB2 H 1.669 0.00 2 696 402 64 LYS HB3 H 1.099 0.00 2 697 402 64 LYS HG2 H 1.374 0.00 2 698 402 64 LYS HG3 H 1.113 0.00 2 699 402 64 LYS HD2 H 1.549 0.00 2 700 402 64 LYS HD3 H 1.549 0.00 2 701 402 64 LYS HE2 H 2.928 0.00 2 702 402 64 LYS HE3 H 2.865 0.00 2 703 402 64 LYS C C 179.120 0.00 1 704 402 64 LYS CA C 59.120 0.03 1 705 402 64 LYS CB C 32.651 0.07 1 706 402 64 LYS CG C 24.989 0.03 1 707 402 64 LYS CD C 29.841 0.00 1 708 402 64 LYS CE C 42.143 0.00 1 709 402 64 LYS N N 117.747 0.02 1 710 403 65 ILE H H 7.588 0.00 1 711 403 65 ILE HA H 3.773 0.00 1 712 403 65 ILE HB H 1.950 0.00 1 713 403 65 ILE HG12 H 1.564 0.00 2 714 403 65 ILE HG13 H 1.564 0.00 2 715 403 65 ILE HG2 H 0.720 0.00 1 716 403 65 ILE HD1 H 0.721 0.00 1 717 403 65 ILE C C 175.770 0.00 1 718 403 65 ILE CA C 64.202 0.05 1 719 403 65 ILE CB C 36.804 0.11 1 720 403 65 ILE CG1 C 25.468 0.03 1 721 403 65 ILE CG2 C 17.713 0.00 1 722 403 65 ILE CD1 C 14.855 0.02 1 723 403 65 ILE N N 111.267 0.02 1 724 404 66 ARG H H 7.066 0.01 1 725 404 66 ARG HA H 4.252 0.00 1 726 404 66 ARG HB2 H 1.742 0.01 2 727 404 66 ARG HB3 H 1.742 0.01 2 728 404 66 ARG HG2 H 2.174 0.00 2 729 404 66 ARG HG3 H 1.626 0.00 2 730 404 66 ARG HD2 H 3.078 0.00 2 731 404 66 ARG HD3 H 2.922 0.00 2 732 404 66 ARG C C 176.944 0.00 1 733 404 66 ARG CA C 58.923 0.02 1 734 404 66 ARG CB C 31.074 0.07 1 735 404 66 ARG CG C 25.026 0.01 1 736 404 66 ARG CD C 44.165 0.00 1 737 404 66 ARG N N 119.553 0.03 1 738 405 67 ARG H H 7.216 0.00 1 739 405 67 ARG HA H 4.586 0.00 1 740 405 67 ARG HB2 H 2.416 0.01 2 741 405 67 ARG HB3 H 1.809 0.00 2 742 405 67 ARG HG2 H 1.690 0.00 2 743 405 67 ARG HG3 H 1.531 0.00 2 744 405 67 ARG HD2 H 3.187 0.00 2 745 405 67 ARG HD3 H 3.187 0.00 2 746 405 67 ARG C C 176.677 0.00 1 747 405 67 ARG CA C 53.846 0.05 1 748 405 67 ARG CB C 29.102 0.09 1 749 405 67 ARG CG C 27.393 0.05 1 750 405 67 ARG CD C 42.865 0.00 1 751 405 67 ARG N N 111.725 0.04 1 752 406 68 PHE H H 7.789 0.00 1 753 406 68 PHE HA H 5.427 0.00 1 754 406 68 PHE HB2 H 3.573 0.00 2 755 406 68 PHE HB3 H 3.060 0.00 2 756 406 68 PHE HD1 H 7.395 0.00 3 757 406 68 PHE HD2 H 7.395 0.00 3 758 406 68 PHE HE1 H 7.111 0.00 3 759 406 68 PHE HE2 H 7.111 0.00 3 760 406 68 PHE HZ H 7.170 0.00 1 761 406 68 PHE C C 172.920 0.00 1 762 406 68 PHE CA C 56.583 0.06 1 763 406 68 PHE CB C 38.644 0.03 1 764 406 68 PHE CD1 C 132.312 0.00 3 765 406 68 PHE CE1 C 131.023 0.00 3 766 406 68 PHE CZ C 130.162 0.00 1 767 406 68 PHE N N 123.567 0.02 1 768 407 69 LYS H H 7.700 0.00 1 769 407 69 LYS HA H 4.264 0.00 1 770 407 69 LYS HB2 H 1.805 0.00 2 771 407 69 LYS HB3 H 1.669 0.00 2 772 407 69 LYS HG2 H 1.458 0.00 2 773 407 69 LYS HG3 H 1.533 0.00 2 774 407 69 LYS HD2 H 1.658 0.00 2 775 407 69 LYS HD3 H 1.658 0.00 2 776 407 69 LYS HE2 H 2.991 0.00 2 777 407 69 LYS HE3 H 2.991 0.00 2 778 407 69 LYS C C 176.470 0.01 1 779 407 69 LYS CA C 58.186 0.03 1 780 407 69 LYS CB C 32.539 0.08 1 781 407 69 LYS CG C 25.146 0.00 1 782 407 69 LYS CD C 29.209 0.01 1 783 407 69 LYS N N 125.553 0.02 1 784 408 70 VAL H H 6.309 0.00 1 785 408 70 VAL HA H 3.586 0.00 1 786 408 70 VAL HB H 0.778 0.00 1 787 408 70 VAL HG1 H 0.568 0.00 2 788 408 70 VAL HG2 H 0.678 0.00 2 789 408 70 VAL C C 175.620 0.01 1 790 408 70 VAL CA C 63.602 0.05 1 791 408 70 VAL CB C 31.930 0.04 1 792 408 70 VAL CG1 C 21.939 0.00 2 793 408 70 VAL CG2 C 20.925 0.00 2 794 408 70 VAL N N 114.772 0.01 1 795 409 71 SER H H 7.324 0.00 1 796 409 71 SER HA H 4.946 0.00 1 797 409 71 SER HB2 H 3.952 0.00 2 798 409 71 SER HB3 H 3.837 0.00 2 799 409 71 SER HG H 6.385 0.00 1 800 409 71 SER C C 173.456 0.00 1 801 409 71 SER CA C 55.811 0.03 1 802 409 71 SER CB C 64.345 0.03 1 803 409 71 SER N N 111.249 0.02 1 804 410 72 GLN H H 9.038 0.01 1 805 410 72 GLN HA H 4.124 0.00 1 806 410 72 GLN HB2 H 2.117 0.00 2 807 410 72 GLN HB3 H 2.229 0.00 2 808 410 72 GLN HG2 H 2.484 0.00 2 809 410 72 GLN HG3 H 2.484 0.00 2 810 410 72 GLN HE21 H 7.777 0.00 2 811 410 72 GLN HE22 H 6.843 0.00 2 812 410 72 GLN C C 177.793 0.00 1 813 410 72 GLN CA C 59.142 0.02 1 814 410 72 GLN CB C 28.242 0.03 1 815 410 72 GLN N N 131.453 0.05 1 816 410 72 GLN NE2 N 112.404 0.04 1 817 411 73 VAL H H 7.792 0.00 1 818 411 73 VAL HA H 3.950 0.01 1 819 411 73 VAL HB H 1.867 0.00 1 820 411 73 VAL HG1 H 1.122 0.00 2 821 411 73 VAL HG2 H 1.019 0.00 2 822 411 73 VAL C C 178.329 0.00 1 823 411 73 VAL CA C 66.221 0.04 1 824 411 73 VAL CB C 32.069 0.03 1 825 411 73 VAL CG1 C 22.304 0.00 2 826 411 73 VAL CG2 C 21.694 0.00 2 827 411 73 VAL N N 117.881 0.02 1 828 412 74 ILE H H 7.854 0.00 1 829 412 74 ILE HA H 3.564 0.00 1 830 412 74 ILE HB H 2.241 0.01 1 831 412 74 ILE HG12 H 1.031 0.00 2 832 412 74 ILE HG13 H 1.964 0.00 2 833 412 74 ILE HG2 H 1.063 0.00 1 834 412 74 ILE HD1 H 1.337 0.00 1 835 412 74 ILE C C 179.540 0.00 1 836 412 74 ILE CA C 66.307 0.06 1 837 412 74 ILE CB C 37.749 0.07 1 838 412 74 ILE CG1 C 31.236 0.04 1 839 412 74 ILE CG2 C 17.092 0.01 1 840 412 74 ILE CD1 C 14.720 0.03 1 841 412 74 ILE N N 120.522 0.01 1 842 413 75 MET H H 8.414 0.00 1 843 413 75 MET HA H 4.108 0.01 1 844 413 75 MET HB2 H 2.447 0.00 2 845 413 75 MET HB3 H 2.256 0.00 2 846 413 75 MET HG2 H 2.989 0.00 2 847 413 75 MET HG3 H 2.243 0.00 2 848 413 75 MET HE H 2.098 0.00 1 849 413 75 MET C C 178.849 0.07 1 850 413 75 MET CA C 61.398 0.06 1 851 413 75 MET CB C 33.868 0.08 1 852 413 75 MET CG C 31.962 0.02 1 853 413 75 MET CE C 16.559 0.00 1 854 413 75 MET N N 121.576 0.01 1 855 414 76 GLU H H 8.697 0.00 1 856 414 76 GLU HA H 4.121 0.00 1 857 414 76 GLU HB2 H 2.332 0.00 2 858 414 76 GLU HB3 H 2.173 0.00 2 859 414 76 GLU HG2 H 2.570 0.00 2 860 414 76 GLU HG3 H 2.344 0.00 2 861 414 76 GLU C C 179.988 0.01 1 862 414 76 GLU CA C 59.986 0.04 1 863 414 76 GLU CB C 29.854 0.07 1 864 414 76 GLU CG C 36.617 0.02 1 865 414 76 GLU N N 121.438 0.04 1 866 415 77 LYS H H 8.856 0.00 1 867 415 77 LYS HA H 4.217 0.01 1 868 415 77 LYS HB2 H 1.850 0.00 2 869 415 77 LYS HB3 H 1.850 0.00 2 870 415 77 LYS HG2 H 1.788 0.00 2 871 415 77 LYS HG3 H 1.644 0.00 2 872 415 77 LYS HD2 H 1.674 0.00 2 873 415 77 LYS HD3 H 1.417 0.00 2 874 415 77 LYS HE2 H 3.054 0.00 2 875 415 77 LYS HE3 H 2.904 0.00 2 876 415 77 LYS C C 179.808 0.00 1 877 415 77 LYS CA C 60.415 0.04 1 878 415 77 LYS CB C 34.425 0.05 1 879 415 77 LYS CG C 27.488 0.16 1 880 415 77 LYS CD C 29.336 0.00 1 881 415 77 LYS CE C 42.094 0.02 1 882 415 77 LYS N N 120.051 0.02 1 883 416 78 SER H H 8.783 0.00 1 884 416 78 SER HA H 4.064 0.00 1 885 416 78 SER HB2 H 3.945 0.00 2 886 416 78 SER HB3 H 3.777 0.00 2 887 416 78 SER HG H 4.297 0.00 1 888 416 78 SER C C 176.725 0.00 1 889 416 78 SER CA C 63.006 0.08 1 890 416 78 SER N N 114.252 0.03 1 891 417 79 THR H H 8.044 0.01 1 892 417 79 THR HA H 3.807 0.00 1 893 417 79 THR HB H 4.501 0.00 1 894 417 79 THR HG1 H 5.687 0.00 1 895 417 79 THR HG2 H 1.372 0.00 1 896 417 79 THR C C 175.494 0.00 1 897 417 79 THR CA C 68.581 0.09 1 898 417 79 THR CB C 68.740 0.06 1 899 417 79 THR CG2 C 21.229 0.02 1 900 417 79 THR N N 121.157 0.02 1 901 418 80 MET H H 7.921 0.00 1 902 418 80 MET HA H 4.223 0.01 1 903 418 80 MET HB2 H 2.319 0.00 2 904 418 80 MET HB3 H 2.319 0.00 2 905 418 80 MET HG2 H 2.857 0.00 2 906 418 80 MET HG3 H 2.631 0.00 2 907 418 80 MET HE H 2.163 0.00 1 908 418 80 MET C C 179.684 0.00 1 909 418 80 MET CA C 59.456 0.04 1 910 418 80 MET CB C 32.089 0.00 1 911 418 80 MET CG C 32.133 0.01 1 912 418 80 MET CE C 17.192 0.00 1 913 418 80 MET N N 120.776 0.01 1 914 419 81 LEU H H 8.078 0.00 1 915 419 81 LEU HA H 3.993 0.00 1 916 419 81 LEU HB2 H 2.042 0.01 2 917 419 81 LEU HB3 H 1.396 0.00 2 918 419 81 LEU HG H 1.974 0.00 1 919 419 81 LEU HD1 H 1.042 0.00 2 920 419 81 LEU HD2 H 0.853 0.00 2 921 419 81 LEU C C 177.644 0.00 1 922 419 81 LEU CA C 57.989 0.06 1 923 419 81 LEU CB C 43.876 0.05 1 924 419 81 LEU CG C 27.375 0.00 1 925 419 81 LEU CD1 C 27.021 0.00 2 926 419 81 LEU CD2 C 23.260 0.00 2 927 419 81 LEU N N 120.658 0.04 1 928 420 82 TYR H H 9.203 0.01 1 929 420 82 TYR HA H 4.141 0.00 1 930 420 82 TYR HB2 H 3.129 0.00 2 931 420 82 TYR HB3 H 3.029 0.00 2 932 420 82 TYR HD1 H 7.155 0.00 3 933 420 82 TYR HD2 H 7.155 0.00 3 934 420 82 TYR HE1 H 6.734 0.00 3 935 420 82 TYR HE2 H 6.734 0.00 3 936 420 82 TYR C C 176.774 0.00 1 937 420 82 TYR CA C 63.122 0.02 1 938 420 82 TYR CB C 38.816 0.04 1 939 420 82 TYR CD1 C 132.871 0.00 3 940 420 82 TYR CE1 C 118.235 0.00 3 941 420 82 TYR N N 120.647 0.03 1 942 421 83 ASN H H 8.505 0.00 1 943 421 83 ASN HA H 4.271 0.00 1 944 421 83 ASN HB2 H 2.993 0.00 2 945 421 83 ASN HB3 H 2.748 0.00 2 946 421 83 ASN HD21 H 7.591 0.00 2 947 421 83 ASN HD22 H 7.020 0.00 2 948 421 83 ASN C C 177.381 0.00 1 949 421 83 ASN CA C 55.821 0.02 1 950 421 83 ASN CB C 37.584 0.05 1 951 421 83 ASN N N 116.424 0.04 1 952 421 83 ASN ND2 N 111.312 0.00 1 953 422 84 LYS H H 7.930 0.00 1 954 422 84 LYS HA H 3.983 0.00 1 955 422 84 LYS HB2 H 1.863 0.00 2 956 422 84 LYS HB3 H 1.863 0.00 2 957 422 84 LYS HG2 H 1.422 0.00 2 958 422 84 LYS HG3 H 0.965 0.00 2 959 422 84 LYS HD2 H 1.549 0.00 2 960 422 84 LYS HD3 H 1.394 0.00 2 961 422 84 LYS HE2 H 2.785 0.00 2 962 422 84 LYS HE3 H 2.785 0.00 2 963 422 84 LYS C C 179.674 0.00 1 964 422 84 LYS CA C 59.833 0.01 1 965 422 84 LYS CB C 32.225 0.07 1 966 422 84 LYS CG C 24.953 0.02 1 967 422 84 LYS CD C 29.942 0.00 1 968 422 84 LYS CE C 42.027 0.00 1 969 422 84 LYS N N 122.072 0.02 1 970 423 85 PHE H H 8.049 0.00 1 971 423 85 PHE HA H 4.473 0.00 1 972 423 85 PHE HB2 H 3.154 0.00 2 973 423 85 PHE HB3 H 3.084 0.00 2 974 423 85 PHE HD1 H 7.360 0.00 3 975 423 85 PHE HD2 H 7.360 0.00 3 976 423 85 PHE HE1 H 7.069 0.00 3 977 423 85 PHE HE2 H 7.069 0.00 3 978 423 85 PHE HZ H 7.065 0.00 1 979 423 85 PHE C C 177.162 0.00 1 980 423 85 PHE CA C 61.447 0.04 1 981 423 85 PHE CB C 38.656 0.07 1 982 423 85 PHE CD1 C 131.903 0.00 3 983 423 85 PHE CE1 C 130.092 0.00 3 984 423 85 PHE CZ C 128.600 0.00 1 985 423 85 PHE N N 118.054 0.05 1 986 424 86 LYS H H 8.714 0.01 1 987 424 86 LYS HA H 2.855 0.00 1 988 424 86 LYS HB2 H 1.593 0.00 2 989 424 86 LYS HB3 H 1.134 0.00 2 990 424 86 LYS HG2 H 1.050 0.00 2 991 424 86 LYS HG3 H 0.778 0.01 2 992 424 86 LYS HD2 H 1.670 0.00 2 993 424 86 LYS HD3 H 1.613 0.00 2 994 424 86 LYS HE2 H 2.955 0.00 2 995 424 86 LYS HE3 H 2.955 0.00 2 996 424 86 LYS C C 178.262 0.00 1 997 424 86 LYS CA C 59.874 0.05 1 998 424 86 LYS CB C 31.995 0.04 1 999 424 86 LYS CG C 24.425 0.10 1 1000 424 86 LYS CD C 29.859 0.01 1 1001 424 86 LYS CE C 42.119 0.00 1 1002 424 86 LYS N N 121.265 0.05 1 1003 425 87 ASN H H 8.054 0.00 1 1004 425 87 ASN HA H 4.408 0.00 1 1005 425 87 ASN HB2 H 2.801 0.00 2 1006 425 87 ASN HB3 H 2.763 0.00 2 1007 425 87 ASN HD21 H 7.489 0.00 2 1008 425 87 ASN HD22 H 6.931 0.00 2 1009 425 87 ASN C C 177.256 0.00 1 1010 425 87 ASN CA C 55.777 0.02 1 1011 425 87 ASN CB C 38.292 0.04 1 1012 425 87 ASN N N 115.576 0.03 1 1013 425 87 ASN ND2 N 112.385 0.03 1 1014 426 88 MET H H 7.689 0.00 1 1015 426 88 MET HA H 4.080 0.00 1 1016 426 88 MET HB2 H 2.227 0.00 2 1017 426 88 MET HB3 H 2.009 0.00 2 1018 426 88 MET HG2 H 2.674 0.00 2 1019 426 88 MET HG3 H 2.433 0.00 2 1020 426 88 MET HE H 1.920 0.00 1 1021 426 88 MET C C 177.299 0.00 1 1022 426 88 MET CA C 58.733 0.04 1 1023 426 88 MET CB C 33.412 0.08 1 1024 426 88 MET CG C 31.775 0.03 1 1025 426 88 MET CE C 16.854 0.00 1 1026 426 88 MET N N 118.240 0.02 1 1027 427 89 PHE H H 7.697 0.00 1 1028 427 89 PHE HA H 4.418 0.00 1 1029 427 89 PHE HB2 H 3.057 0.00 2 1030 427 89 PHE HB3 H 2.894 0.00 2 1031 427 89 PHE HD1 H 7.382 0.00 3 1032 427 89 PHE HD2 H 7.382 0.00 3 1033 427 89 PHE HE1 H 7.121 0.00 3 1034 427 89 PHE HE2 H 7.121 0.00 3 1035 427 89 PHE HZ H 7.009 0.00 1 1036 427 89 PHE C C 176.276 0.00 1 1037 427 89 PHE CA C 59.538 0.04 1 1038 427 89 PHE CB C 39.834 0.04 1 1039 427 89 PHE CD1 C 132.312 0.00 3 1040 427 89 PHE CE1 C 130.743 0.00 3 1041 427 89 PHE CZ C 129.165 0.00 1 1042 427 89 PHE N N 116.369 0.02 1 1043 428 90 LEU H H 7.875 0.00 1 1044 428 90 LEU HA H 4.204 0.01 1 1045 428 90 LEU HB2 H 1.693 0.00 2 1046 428 90 LEU HB3 H 1.542 0.00 2 1047 428 90 LEU HG H 1.610 0.00 1 1048 428 90 LEU HD1 H 0.796 0.00 2 1049 428 90 LEU HD2 H 0.754 0.00 2 1050 428 90 LEU C C 177.782 0.00 1 1051 428 90 LEU CA C 56.120 0.01 1 1052 428 90 LEU CB C 41.991 0.04 1 1053 428 90 LEU CG C 26.941 0.00 1 1054 428 90 LEU CD1 C 25.297 0.00 2 1055 428 90 LEU CD2 C 23.503 0.00 2 1056 428 90 LEU N N 119.793 0.02 1 1057 429 91 VAL H H 7.807 0.00 1 1058 429 91 VAL HA H 4.058 0.00 1 1059 429 91 VAL HB H 2.129 0.00 1 1060 429 91 VAL HG1 H 0.943 0.00 2 1061 429 91 VAL HG2 H 0.943 0.00 2 1062 429 91 VAL C C 177.108 0.00 1 1063 429 91 VAL CA C 63.166 0.02 1 1064 429 91 VAL CB C 32.520 0.05 1 1065 429 91 VAL CG1 C 21.051 0.00 2 1066 429 91 VAL N N 118.176 0.03 1 1067 430 92 GLY H H 8.170 0.00 1 1068 430 92 GLY HA2 H 3.978 0.00 2 1069 430 92 GLY HA3 H 3.978 0.00 2 1070 430 92 GLY C C 174.701 0.00 1 1071 430 92 GLY CA C 45.574 0.06 1 1072 430 92 GLY N N 110.657 0.02 1 1073 431 93 GLU H H 8.318 0.00 1 1074 431 93 GLU HA H 4.257 0.00 1 1075 431 93 GLU HB2 H 2.064 0.00 2 1076 431 93 GLU HB3 H 1.911 0.00 2 1077 431 93 GLU HG2 H 2.258 0.01 2 1078 431 93 GLU HG3 H 2.258 0.01 2 1079 431 93 GLU C C 177.132 0.00 1 1080 431 93 GLU CA C 56.870 0.09 1 1081 431 93 GLU CB C 30.212 0.00 1 1082 431 93 GLU CG C 36.379 0.00 1 1083 431 93 GLU N N 120.451 0.01 1 1084 432 94 GLY H H 8.402 0.00 1 1085 432 94 GLY HA2 H 3.986 0.00 2 1086 432 94 GLY HA3 H 3.953 0.00 2 1087 432 94 GLY C C 174.091 0.01 1 1088 432 94 GLY CA C 45.531 0.01 1 1089 432 94 GLY N N 109.487 0.02 1 1090 433 95 ASP H H 8.240 0.00 1 1091 433 95 ASP HA H 4.639 0.00 1 1092 433 95 ASP HB2 H 2.730 0.00 2 1093 433 95 ASP HB3 H 2.680 0.00 2 1094 433 95 ASP C C 176.559 0.00 1 1095 433 95 ASP CA C 54.585 0.05 1 1096 433 95 ASP CB C 41.288 0.07 1 1097 433 95 ASP N N 120.510 0.02 1 1098 434 96 SER H H 8.251 0.00 1 1099 434 96 SER HA H 4.458 0.00 1 1100 434 96 SER HB2 H 3.891 0.00 2 1101 434 96 SER HB3 H 3.891 0.00 2 1102 434 96 SER C C 174.726 0.00 1 1103 434 96 SER CA C 58.744 0.08 1 1104 434 96 SER CB C 63.897 0.03 1 1105 434 96 SER N N 115.824 0.02 1 1106 435 97 VAL H H 8.094 0.01 1 1107 435 97 VAL HA H 4.102 0.00 1 1108 435 97 VAL HB H 2.120 0.00 1 1109 435 97 VAL HG1 H 0.955 0.00 2 1110 435 97 VAL HG2 H 0.955 0.00 2 1111 435 97 VAL C C 176.505 0.00 1 1112 435 97 VAL CA C 63.046 0.05 1 1113 435 97 VAL CB C 32.488 0.10 1 1114 435 97 VAL CG1 C 20.902 0.00 2 1115 435 97 VAL N N 121.435 0.03 1 1116 436 98 ILE H H 8.140 0.00 1 1117 436 98 ILE HA H 4.180 0.00 1 1118 436 98 ILE HB H 1.913 0.00 1 1119 436 98 ILE HG12 H 1.499 0.00 2 1120 436 98 ILE HG13 H 1.220 0.00 2 1121 436 98 ILE HG2 H 0.913 0.00 1 1122 436 98 ILE HD1 H 0.859 0.00 1 1123 436 98 ILE C C 176.586 0.01 1 1124 436 98 ILE CA C 61.686 0.03 1 1125 436 98 ILE CB C 38.398 0.05 1 1126 436 98 ILE CG1 C 27.645 0.01 1 1127 436 98 ILE CG2 C 17.702 0.00 1 1128 436 98 ILE CD1 C 12.960 0.00 1 1129 436 98 ILE N N 123.169 0.01 1 1130 437 99 THR H H 8.076 0.00 1 1131 437 99 THR HA H 4.275 0.00 1 1132 437 99 THR HB H 4.217 0.00 1 1133 437 99 THR HG2 H 0.902 0.00 1 1134 437 99 THR C C 174.661 0.00 1 1135 437 99 THR CA C 62.606 0.04 1 1136 437 99 THR CB C 69.586 0.02 1 1137 437 99 THR CG2 C 21.484 0.02 1 1138 437 99 THR N N 117.338 0.01 1 1139 438 100 GLN H H 8.221 0.00 1 1140 438 100 GLN HA H 4.355 0.00 1 1141 438 100 GLN HB2 H 2.111 0.00 2 1142 438 100 GLN HB3 H 2.029 0.00 2 1143 438 100 GLN C C 176.048 0.00 1 1144 438 100 GLN CA C 56.305 0.03 1 1145 438 100 GLN CB C 29.416 0.03 1 1146 438 100 GLN CG C 33.911 0.00 1 1147 438 100 GLN N N 122.343 0.02 1 1148 439 101 VAL H H 8.123 0.00 1 1149 439 101 VAL HA H 4.065 0.00 1 1150 439 101 VAL HB H 2.098 0.00 1 1151 439 101 VAL HG1 H 0.940 0.00 2 1152 439 101 VAL HG2 H 0.940 0.00 2 1153 439 101 VAL C C 176.349 0.00 1 1154 439 101 VAL CA C 62.898 0.08 1 1155 439 101 VAL CB C 32.551 0.09 1 1156 439 101 VAL CG1 C 21.203 0.00 2 1157 439 101 VAL N N 121.096 0.02 1 1158 440 102 LEU H H 8.262 0.00 1 1159 440 102 LEU HA H 4.354 0.00 1 1160 440 102 LEU HB2 H 1.675 0.00 2 1161 440 102 LEU HB3 H 1.568 0.00 2 1162 440 102 LEU HG H 1.620 0.00 1 1163 440 102 LEU HD1 H 0.919 0.00 2 1164 440 102 LEU HD2 H 0.859 0.00 2 1165 440 102 LEU C C 177.145 0.00 1 1166 440 102 LEU CA C 55.451 0.05 1 1167 440 102 LEU CB C 42.384 0.02 1 1168 440 102 LEU CG C 27.077 0.00 1 1169 440 102 LEU CD1 C 25.061 0.00 2 1170 440 102 LEU CD2 C 23.553 0.00 2 1171 440 102 LEU N N 124.803 0.01 1 1172 441 103 ASN H H 8.339 0.00 1 1173 441 103 ASN HA H 4.707 0.00 1 1174 441 103 ASN HB2 H 2.864 0.00 2 1175 441 103 ASN HB3 H 2.794 0.00 2 1176 441 103 ASN C C 175.385 0.00 1 1177 441 103 ASN CA C 53.291 0.04 1 1178 441 103 ASN CB C 38.873 0.09 1 1179 441 103 ASN N N 119.276 0.00 1 1180 442 104 LYS H H 8.277 0.00 1 1181 442 104 LYS HA H 4.356 0.00 1 1182 442 104 LYS HB2 H 1.908 0.00 2 1183 442 104 LYS HB3 H 1.786 0.00 2 1184 442 104 LYS HG2 H 1.462 0.01 2 1185 442 104 LYS HG3 H 1.435 0.00 2 1186 442 104 LYS HD2 H 1.699 0.00 2 1187 442 104 LYS HD3 H 1.699 0.00 2 1188 442 104 LYS HE2 H 2.996 0.00 2 1189 442 104 LYS HE3 H 2.996 0.00 2 1190 442 104 LYS CA C 56.696 0.02 1 1191 442 104 LYS CB C 32.921 0.01 1 1192 442 104 LYS CG C 24.792 0.01 1 1193 442 104 LYS CD C 29.152 0.00 1 1194 442 104 LYS N N 121.826 0.01 1 1195 449 105 SER H H 8.339 0.00 1 1196 449 105 SER C C 175.134 0.01 1 1197 449 105 SER CA C 58.668 0.02 1 1198 449 105 SER CB C 63.895 0.01 1 1199 449 105 SER N N 116.512 0.01 1 1200 450 106 GLY H H 8.398 0.00 1 1201 450 106 GLY C C 174.540 0.00 1 1202 450 106 GLY CA C 45.484 0.00 1 1203 450 106 GLY N N 110.683 0.02 1 1204 460 116 GLY HA2 H 3.915 0.00 2 1205 460 116 GLY HA3 H 3.915 0.00 2 1206 460 116 GLY C C 174.065 0.00 1 1207 460 116 GLY CA C 45.184 0.01 1 1208 461 117 PHE H H 8.140 0.00 1 1209 461 117 PHE HA H 4.599 0.00 1 1210 461 117 PHE HB2 H 3.141 0.00 2 1211 461 117 PHE HB3 H 3.035 0.00 2 1212 461 117 PHE HD1 H 7.239 0.00 3 1213 461 117 PHE HD2 H 7.239 0.00 3 1214 461 117 PHE HE1 H 7.334 0.00 3 1215 461 117 PHE HE2 H 7.334 0.00 3 1216 461 117 PHE C C 175.459 0.00 1 1217 461 117 PHE CA C 58.095 0.03 1 1218 461 117 PHE CB C 39.694 0.03 1 1219 461 117 PHE CD1 C 131.783 0.00 3 1220 461 117 PHE CE1 C 131.581 0.00 3 1221 461 117 PHE N N 120.224 0.01 1 1222 462 118 ASP H H 8.277 0.00 1 1223 462 118 ASP HA H 4.539 0.00 1 1224 462 118 ASP HB2 H 2.704 0.00 2 1225 462 118 ASP HB3 H 2.571 0.00 2 1226 462 118 ASP C C 176.349 0.00 1 1227 462 118 ASP CA C 54.344 0.02 1 1228 462 118 ASP CB C 41.285 0.03 1 1229 462 118 ASP N N 122.355 0.01 1 1230 463 119 ALA H H 8.224 0.00 1 1231 463 119 ALA HA H 4.170 0.00 1 1232 463 119 ALA HB H 1.423 0.00 1 1233 463 119 ALA C C 178.188 0.00 1 1234 463 119 ALA CA C 53.484 0.03 1 1235 463 119 ALA CB C 18.983 0.04 1 1236 463 119 ALA N N 125.389 0.01 1 1237 464 120 ALA H H 8.198 0.00 1 1238 464 120 ALA HA H 4.231 0.00 1 1239 464 120 ALA HB H 1.402 0.00 1 1240 464 120 ALA C C 178.420 0.00 1 1241 464 120 ALA CA C 53.238 0.04 1 1242 464 120 ALA CB C 18.829 0.02 1 1243 464 120 ALA N N 121.215 0.02 1 1244 465 121 LEU H H 7.853 0.00 1 1245 465 121 LEU HA H 4.281 0.00 1 1246 465 121 LEU HB2 H 1.680 0.00 2 1247 465 121 LEU HB3 H 1.608 0.00 2 1248 465 121 LEU HG H 1.611 0.00 1 1249 465 121 LEU HD1 H 0.926 0.00 2 1250 465 121 LEU HD2 H 0.859 0.00 2 1251 465 121 LEU C C 177.660 0.01 1 1252 465 121 LEU CA C 55.547 0.03 1 1253 465 121 LEU CB C 42.271 0.05 1 1254 465 121 LEU CG C 27.016 0.00 1 1255 465 121 LEU CD1 C 25.051 0.00 2 1256 465 121 LEU CD2 C 23.559 0.00 2 1257 465 121 LEU N N 119.506 0.01 1 1258 466 122 GLN H H 8.099 0.00 1 1259 466 122 GLN HA H 4.331 0.00 1 1260 466 122 GLN HB2 H 2.144 0.00 2 1261 466 122 GLN HB3 H 2.030 0.00 2 1262 466 122 GLN HG2 H 2.381 0.00 2 1263 466 122 GLN HG3 H 2.381 0.00 2 1264 466 122 GLN HE21 H 7.505 0.00 2 1265 466 122 GLN HE22 H 6.856 0.00 2 1266 466 122 GLN C C 176.391 0.00 1 1267 466 122 GLN CA C 56.223 0.03 1 1268 466 122 GLN CB C 29.173 0.04 1 1269 466 122 GLN CG C 33.908 0.00 1 1270 466 122 GLN N N 120.109 0.01 1 1271 466 122 GLN NE2 N 112.234 0.00 1 1272 467 123 VAL H H 8.028 0.00 1 1273 467 123 VAL HA H 4.125 0.00 1 1274 467 123 VAL HB H 2.128 0.00 1 1275 467 123 VAL HG1 H 0.968 0.00 2 1276 467 123 VAL HG2 H 0.968 0.00 2 1277 467 123 VAL C C 176.444 0.01 1 1278 467 123 VAL CA C 62.845 0.05 1 1279 467 123 VAL CB C 32.734 0.05 1 1280 467 123 VAL CG1 C 20.774 0.00 2 1281 467 123 VAL N N 120.141 0.01 1 1282 468 124 SER H H 8.254 0.00 1 1283 468 124 SER HA H 4.405 0.00 1 1284 468 124 SER HB2 H 3.947 0.00 2 1285 468 124 SER HB3 H 3.874 0.00 2 1286 468 124 SER C C 174.837 0.01 1 1287 468 124 SER CA C 58.731 0.03 1 1288 468 124 SER CB C 63.837 0.02 1 1289 468 124 SER N N 118.190 0.02 1 1290 469 125 ALA H H 8.317 0.00 1 1291 469 125 ALA HA H 4.311 0.00 1 1292 469 125 ALA HB H 1.416 0.00 1 1293 469 125 ALA C C 177.861 0.00 1 1294 469 125 ALA CA C 53.083 0.02 1 1295 469 125 ALA CB C 19.079 0.01 1 1296 469 125 ALA N N 125.797 0.01 1 1297 470 126 ALA H H 8.134 0.00 1 1298 470 126 ALA HA H 4.322 0.00 1 1299 470 126 ALA HB H 1.421 0.00 1 1300 470 126 ALA C C 178.206 0.00 1 1301 470 126 ALA CA C 53.066 0.08 1 1302 470 126 ALA CB C 19.009 0.05 1 1303 470 126 ALA N N 122.319 0.01 1 1304 471 127 ILE H H 7.950 0.00 1 1305 471 127 ILE HA H 4.146 0.01 1 1306 471 127 ILE HB H 1.928 0.01 1 1307 471 127 ILE HG12 H 1.551 0.00 2 1308 471 127 ILE HG13 H 1.240 0.00 2 1309 471 127 ILE HG2 H 0.952 0.00 1 1310 471 127 ILE HD1 H 0.881 0.00 1 1311 471 127 ILE C C 177.241 0.00 1 1312 471 127 ILE CA C 62.065 0.06 1 1313 471 127 ILE CB C 38.569 0.04 1 1314 471 127 ILE CG1 C 27.674 0.00 1 1315 471 127 ILE CG2 C 17.577 0.00 1 1316 471 127 ILE CD1 C 13.157 0.00 1 1317 471 127 ILE N N 119.090 0.01 1 1318 472 128 GLY H H 8.447 0.00 1 1319 472 128 GLY HA2 H 4.037 0.00 2 1320 472 128 GLY HA3 H 4.002 0.00 2 1321 472 128 GLY C C 175.119 0.00 1 1322 472 128 GLY CA C 46.003 0.03 1 1323 472 128 GLY N N 111.279 0.02 1 1324 473 129 THR H H 8.117 0.00 1 1325 473 129 THR HA H 4.200 0.00 1 1326 473 129 THR HB H 4.268 0.00 1 1327 473 129 THR HG2 H 1.246 0.00 1 1328 473 129 THR C C 175.377 0.00 1 1329 473 129 THR CA C 63.832 0.03 1 1330 473 129 THR CB C 69.501 0.02 1 1331 473 129 THR CG2 C 21.842 0.00 1 1332 473 129 THR N N 115.036 0.01 1 1333 474 130 ASN H H 8.507 0.00 1 1334 474 130 ASN HA H 4.678 0.00 1 1335 474 130 ASN HB2 H 2.910 0.00 2 1336 474 130 ASN HB3 H 2.910 0.00 2 1337 474 130 ASN HD21 H 7.685 0.00 2 1338 474 130 ASN HD22 H 6.996 0.00 2 1339 474 130 ASN C C 176.493 0.00 1 1340 474 130 ASN CA C 54.708 0.01 1 1341 474 130 ASN CB C 38.261 0.02 1 1342 474 130 ASN N N 120.857 0.01 1 1343 474 130 ASN ND2 N 112.820 0.01 1 1344 475 131 LEU H H 8.264 0.01 1 1345 475 131 LEU HA H 4.322 0.00 1 1346 475 131 LEU HB2 H 1.769 0.00 2 1347 475 131 LEU HB3 H 1.744 0.00 2 1348 475 131 LEU HG H 1.699 0.00 1 1349 475 131 LEU HD1 H 0.987 0.00 2 1350 475 131 LEU HD2 H 0.923 0.00 2 1351 475 131 LEU C C 178.351 0.00 1 1352 475 131 LEU CA C 57.056 0.01 1 1353 475 131 LEU CB C 41.919 0.03 1 1354 475 131 LEU CG C 27.215 0.00 1 1355 475 131 LEU CD1 C 24.827 0.00 2 1356 475 131 LEU CD2 C 24.138 0.00 2 1357 475 131 LEU N N 120.403 0.00 1 1358 476 132 ARG H H 8.167 0.01 1 1359 476 132 ARG HA H 4.098 0.00 1 1360 476 132 ARG HB2 H 1.927 0.00 2 1361 476 132 ARG HB3 H 1.927 0.00 2 1362 476 132 ARG HG2 H 1.779 0.00 2 1363 476 132 ARG HG3 H 1.650 0.00 2 1364 476 132 ARG HD2 H 3.243 0.01 2 1365 476 132 ARG HD3 H 3.243 0.01 2 1366 476 132 ARG C C 178.589 0.00 1 1367 476 132 ARG CA C 59.095 0.04 1 1368 476 132 ARG CB C 30.047 0.02 1 1369 476 132 ARG CG C 27.740 0.04 1 1370 476 132 ARG CD C 43.587 0.00 1 1371 476 132 ARG N N 119.840 0.03 1 1372 477 133 ARG H H 8.101 0.00 1 1373 477 133 ARG HA H 4.160 0.01 1 1374 477 133 ARG HB2 H 1.850 0.00 2 1375 477 133 ARG HB3 H 1.850 0.00 2 1376 477 133 ARG HG2 H 1.522 0.00 2 1377 477 133 ARG HG3 H 1.522 0.00 2 1378 477 133 ARG HD2 H 3.181 0.00 2 1379 477 133 ARG HD3 H 3.181 0.00 2 1380 477 133 ARG C C 177.643 0.00 1 1381 477 133 ARG CA C 58.331 0.12 1 1382 477 133 ARG CB C 30.154 0.07 1 1383 477 133 ARG CG C 27.240 0.03 1 1384 477 133 ARG CD C 43.518 0.00 1 1385 477 133 ARG N N 119.813 0.02 1 1386 478 134 PHE H H 8.177 0.00 1 1387 478 134 PHE HA H 4.359 0.01 1 1388 478 134 PHE HB2 H 3.218 0.00 2 1389 478 134 PHE HB3 H 3.218 0.00 2 1390 478 134 PHE HD1 H 7.152 0.00 3 1391 478 134 PHE HD2 H 7.152 0.00 3 1392 478 134 PHE HE1 H 7.164 0.00 3 1393 478 134 PHE HE2 H 7.164 0.00 3 1394 478 134 PHE C C 176.875 0.00 1 1395 478 134 PHE CA C 60.217 0.06 1 1396 478 134 PHE CB C 39.336 0.04 1 1397 478 134 PHE CD1 C 131.584 0.00 3 1398 478 134 PHE CE1 C 131.556 0.00 3 1399 478 134 PHE N N 119.258 0.02 1 1400 479 135 ARG H H 8.328 0.01 1 1401 479 135 ARG HA H 3.968 0.00 1 1402 479 135 ARG HB2 H 1.931 0.00 2 1403 479 135 ARG HB3 H 1.931 0.00 2 1404 479 135 ARG HG2 H 1.728 0.00 2 1405 479 135 ARG HG3 H 1.728 0.00 2 1406 479 135 ARG HD2 H 3.242 0.00 2 1407 479 135 ARG HD3 H 3.242 0.00 2 1408 479 135 ARG C C 178.112 0.00 1 1409 479 135 ARG CA C 58.977 0.05 1 1410 479 135 ARG CG C 28.015 0.04 1 1411 479 135 ARG N N 118.808 0.07 1 1412 480 136 ALA H H 7.884 0.00 1 1413 480 136 ALA HA H 4.159 0.00 1 1414 480 136 ALA HB H 1.456 0.00 1 1415 480 136 ALA C C 179.182 0.00 1 1416 480 136 ALA CA C 54.126 0.03 1 1417 480 136 ALA CB C 18.517 0.02 1 1418 480 136 ALA N N 121.045 0.02 1 1419 481 137 VAL H H 7.534 0.00 1 1420 481 137 VAL HA H 3.682 0.00 1 1421 481 137 VAL HB H 1.550 0.00 1 1422 481 137 VAL HG1 H 0.738 0.00 2 1423 481 137 VAL HG2 H 0.122 0.00 2 1424 481 137 VAL CA C 64.465 0.06 1 1425 481 137 VAL CB C 32.312 0.05 1 1426 481 137 VAL CG1 C 21.816 0.00 2 1427 481 137 VAL CG2 C 20.590 0.00 2 1428 481 137 VAL N N 117.423 0.03 1 1429 482 138 PHE H H 7.642 0.00 1 1430 482 138 PHE HA H 4.832 0.00 1 1431 482 138 PHE HB2 H 3.164 0.00 2 1432 482 138 PHE HB3 H 2.423 0.01 2 1433 482 138 PHE HD1 H 7.003 0.00 3 1434 482 138 PHE HD2 H 7.003 0.00 3 1435 482 138 PHE HE1 H 6.558 0.00 3 1436 482 138 PHE HE2 H 6.558 0.00 3 1437 482 138 PHE HZ H 6.669 0.00 1 1438 482 138 PHE C C 176.395 0.00 1 1439 482 138 PHE CA C 58.026 0.01 1 1440 482 138 PHE CB C 39.464 0.03 1 1441 482 138 PHE CD1 C 132.108 0.00 3 1442 482 138 PHE CE1 C 130.804 0.00 3 1443 482 138 PHE CZ C 128.774 0.00 1 1444 482 138 PHE N N 116.456 0.01 1 1445 483 139 GLY H H 7.746 0.00 1 1446 483 139 GLY HA2 H 4.075 0.00 2 1447 483 139 GLY HA3 H 3.950 0.00 2 1448 483 139 GLY C C 173.917 0.00 1 1449 483 139 GLY CA C 45.628 0.01 1 1450 483 139 GLY N N 108.656 0.02 1 1451 484 140 GLU H H 8.439 0.00 1 1452 484 140 GLU HA H 4.549 0.00 1 1453 484 140 GLU HB2 H 2.167 0.00 2 1454 484 140 GLU HB3 H 1.913 0.00 2 1455 484 140 GLU HG2 H 2.362 0.00 2 1456 484 140 GLU HG3 H 2.311 0.00 2 1457 484 140 GLU C C 176.798 0.00 1 1458 484 140 GLU CA C 55.937 0.06 1 1459 484 140 GLU CB C 30.796 0.05 1 1460 484 140 GLU CG C 35.992 0.02 1 1461 484 140 GLU N N 120.877 0.03 1 1462 485 141 SER H H 8.576 0.00 1 1463 485 141 SER C C 175.262 0.01 1 1464 485 141 SER CA C 58.627 0.03 1 1465 485 141 SER CB C 63.958 0.02 1 1466 485 141 SER N N 117.296 0.03 1 1467 486 142 GLY H H 8.526 0.00 1 1468 486 142 GLY C C 174.448 0.00 1 1469 486 142 GLY CA C 45.456 0.00 1 1470 486 142 GLY N N 111.108 0.01 1 1471 492 148 GLY C C 174.225 0.00 1 1472 492 148 GLY CA C 45.490 0.00 1 1473 493 149 GLU H H 8.249 0.00 1 1474 493 149 GLU HA H 4.263 0.01 1 1475 493 149 GLU HB2 H 2.070 0.00 2 1476 493 149 GLU HB3 H 1.924 0.00 2 1477 493 149 GLU HG2 H 2.258 0.00 2 1478 493 149 GLU HG3 H 2.258 0.00 2 1479 493 149 GLU C C 176.358 0.00 1 1480 493 149 GLU CA C 56.923 0.06 1 1481 493 149 GLU CB C 30.290 0.10 1 1482 493 149 GLU CG C 36.392 0.00 1 1483 493 149 GLU N N 120.393 0.00 1 1484 494 150 ASP H H 8.416 0.01 1 1485 494 150 ASP HA H 4.610 0.00 1 1486 494 150 ASP HB2 H 2.752 0.00 2 1487 494 150 ASP HB3 H 2.624 0.00 2 1488 494 150 ASP C C 176.201 0.00 1 1489 494 150 ASP CA C 54.366 0.03 1 1490 494 150 ASP CB C 41.113 0.02 1 1491 494 150 ASP N N 120.068 0.02 1 1492 495 151 GLU H H 8.090 0.00 1 1493 495 151 GLU HA H 4.280 0.00 1 1494 495 151 GLU HB2 H 2.069 0.00 2 1495 495 151 GLU HB3 H 1.964 0.00 2 1496 495 151 GLU HG2 H 2.325 0.00 2 1497 495 151 GLU HG3 H 2.248 0.00 2 1498 495 151 GLU C C 176.074 0.01 1 1499 495 151 GLU CA C 56.775 0.04 1 1500 495 151 GLU CB C 30.575 0.08 1 1501 495 151 GLU CG C 36.366 0.01 1 1502 495 151 GLU N N 121.246 0.01 1 1503 496 152 GLN H H 8.444 0.00 1 1504 496 152 GLN HA H 4.609 0.00 1 1505 496 152 GLN HB2 H 2.048 0.00 2 1506 496 152 GLN HB3 H 2.048 0.00 2 1507 496 152 GLN HG2 H 2.312 0.00 2 1508 496 152 GLN HG3 H 2.255 0.00 2 1509 496 152 GLN HE21 H 7.678 0.00 2 1510 496 152 GLN HE22 H 6.866 0.00 2 1511 496 152 GLN C C 174.296 0.01 1 1512 496 152 GLN CA C 55.585 0.03 1 1513 496 152 GLN CB C 30.141 0.04 1 1514 496 152 GLN CG C 33.594 0.02 1 1515 496 152 GLN N N 120.287 0.02 1 1516 496 152 GLN NE2 N 112.073 0.00 1 1517 497 153 PHE H H 8.188 0.01 1 1518 497 153 PHE HA H 4.795 0.00 1 1519 497 153 PHE HB2 H 3.115 0.00 2 1520 497 153 PHE HB3 H 2.587 0.00 2 1521 497 153 PHE HD1 H 7.117 0.00 3 1522 497 153 PHE HD2 H 7.117 0.00 3 1523 497 153 PHE HE1 H 7.102 0.00 3 1524 497 153 PHE HE2 H 7.102 0.00 3 1525 497 153 PHE HZ H 5.312 0.00 1 1526 497 153 PHE C C 174.898 0.00 1 1527 497 153 PHE CA C 57.475 0.02 1 1528 497 153 PHE CB C 41.245 0.04 1 1529 497 153 PHE CD1 C 131.419 0.00 3 1530 497 153 PHE CE1 C 129.690 0.00 3 1531 497 153 PHE CZ C 129.583 0.00 1 1532 497 153 PHE N N 124.629 0.02 1 1533 498 154 LEU H H 8.475 0.01 1 1534 498 154 LEU HA H 4.345 0.00 1 1535 498 154 LEU HB2 H 1.534 0.00 2 1536 498 154 LEU HB3 H 1.433 0.00 2 1537 498 154 LEU HG H 1.483 0.00 1 1538 498 154 LEU HD1 H 0.847 0.00 2 1539 498 154 LEU HD2 H 0.744 0.00 2 1540 498 154 LEU C C 175.197 0.00 1 1541 498 154 LEU CA C 54.700 0.02 1 1542 498 154 LEU CB C 42.619 0.01 1 1543 498 154 LEU CG C 27.168 0.00 1 1544 498 154 LEU CD1 C 25.178 0.00 2 1545 498 154 LEU CD2 C 22.725 0.01 2 1546 498 154 LEU N N 127.001 0.02 1 1547 499 155 GLY HA2 H 2.990 0.00 2 1548 499 155 GLY HA3 H 4.315 0.00 2 1549 499 155 GLY C C 172.327 0.00 1 1550 499 155 GLY CA C 43.515 0.04 1 1551 500 156 PHE H H 8.876 0.00 1 1552 500 156 PHE HA H 4.706 0.00 1 1553 500 156 PHE HB2 H 3.362 0.00 2 1554 500 156 PHE HB3 H 2.751 0.00 2 1555 500 156 PHE HD1 H 7.556 0.00 3 1556 500 156 PHE HD2 H 7.556 0.00 3 1557 500 156 PHE HE1 H 7.282 0.00 3 1558 500 156 PHE HE2 H 7.282 0.00 3 1559 500 156 PHE HZ H 7.150 0.00 1 1560 500 156 PHE C C 176.573 0.00 1 1561 500 156 PHE CA C 58.826 0.02 1 1562 500 156 PHE CB C 40.929 0.01 1 1563 500 156 PHE CD1 C 133.145 0.00 3 1564 500 156 PHE CE1 C 131.234 0.00 3 1565 500 156 PHE CZ C 129.874 0.02 1 1566 500 156 PHE N N 118.384 0.01 1 1567 501 157 GLY H H 9.036 0.00 1 1568 501 157 GLY HA2 H 4.309 0.00 2 1569 501 157 GLY HA3 H 4.025 0.00 2 1570 501 157 GLY C C 174.226 0.00 1 1571 501 157 GLY CA C 44.796 0.06 1 1572 501 157 GLY N N 110.928 0.05 1 1573 502 158 SER H H 8.512 0.00 1 1574 502 158 SER HA H 4.431 0.00 1 1575 502 158 SER C C 174.754 0.00 1 1576 502 158 SER CA C 58.928 0.02 1 1577 502 158 SER CB C 63.890 0.01 1 1578 502 158 SER N N 115.904 0.01 1 1579 503 159 ASP H H 8.624 0.00 1 1580 503 159 ASP HA H 4.637 0.00 1 1581 503 159 ASP HB2 H 2.731 0.00 2 1582 503 159 ASP HB3 H 2.655 0.00 2 1583 503 159 ASP C C 176.353 0.00 1 1584 503 159 ASP CA C 54.615 0.01 1 1585 503 159 ASP CB C 40.995 0.12 1 1586 503 159 ASP N N 121.889 0.01 1 1587 504 160 GLU H H 8.202 0.00 1 1588 504 160 GLU HA H 4.247 0.00 1 1589 504 160 GLU HB2 H 2.054 0.00 2 1590 504 160 GLU HB3 H 1.959 0.00 2 1591 504 160 GLU HG2 H 2.252 0.00 2 1592 504 160 GLU HG3 H 2.252 0.00 2 1593 504 160 GLU C C 176.440 0.01 1 1594 504 160 GLU CA C 56.888 0.03 1 1595 504 160 GLU CB C 30.254 0.01 1 1596 504 160 GLU N N 120.201 0.02 1 1597 505 161 GLU H H 8.268 0.00 1 1598 505 161 GLU HA H 4.262 0.00 1 1599 505 161 GLU HB2 H 2.061 0.00 2 1600 505 161 GLU HB3 H 1.961 0.01 2 1601 505 161 GLU HG2 H 2.273 0.00 2 1602 505 161 GLU HG3 H 2.202 0.00 2 1603 505 161 GLU C C 176.451 0.00 1 1604 505 161 GLU CA C 56.664 0.06 1 1605 505 161 GLU CB C 30.404 0.04 1 1606 505 161 GLU N N 121.662 0.02 1 1607 506 162 VAL H H 8.210 0.00 1 1608 506 162 VAL HA H 4.056 0.00 1 1609 506 162 VAL HB H 2.053 0.00 1 1610 506 162 VAL HG1 H 0.915 0.00 2 1611 506 162 VAL HG2 H 0.915 0.00 2 1612 506 162 VAL C C 175.931 0.00 1 1613 506 162 VAL CA C 62.513 0.04 1 1614 506 162 VAL CB C 32.418 0.05 1 1615 506 162 VAL CG1 C 20.826 0.00 2 1616 506 162 VAL N N 121.945 0.04 1 1617 507 163 ARG H H 8.351 0.00 1 1618 507 163 ARG HA H 4.434 0.00 1 1619 507 163 ARG HB2 H 1.829 0.00 2 1620 507 163 ARG HB3 H 1.761 0.00 2 1621 507 163 ARG HG2 H 1.590 0.00 2 1622 507 163 ARG HG3 H 1.590 0.00 2 1623 507 163 ARG HD2 H 3.198 0.00 2 1624 507 163 ARG HD3 H 3.198 0.00 2 1625 507 163 ARG C C 176.018 0.01 1 1626 507 163 ARG CA C 55.853 0.03 1 1627 507 163 ARG CB C 31.063 0.05 1 1628 507 163 ARG CG C 27.200 0.00 1 1629 507 163 ARG CD C 43.378 0.00 1 1630 507 163 ARG N N 125.594 0.01 1 1631 508 164 VAL H H 8.264 0.00 1 1632 508 164 VAL HA H 4.135 0.00 1 1633 508 164 VAL HB H 2.089 0.00 1 1634 508 164 VAL HG1 H 0.942 0.00 2 1635 508 164 VAL HG2 H 0.944 0.00 2 1636 508 164 VAL C C 175.223 0.00 1 1637 508 164 VAL CA C 62.553 0.08 1 1638 508 164 VAL CB C 32.704 0.04 1 1639 508 164 VAL CG1 C 21.091 0.00 2 1640 508 164 VAL CG2 C 20.747 0.00 2 1641 508 164 VAL N N 122.277 0.01 1 1642 509 165 ARG H H 7.959 0.00 1 1643 509 165 ARG HA H 4.197 0.00 1 1644 509 165 ARG HB2 H 1.843 0.00 2 1645 509 165 ARG HB3 H 1.727 0.00 2 1646 509 165 ARG HG2 H 1.585 0.00 2 1647 509 165 ARG HG3 H 1.585 0.00 2 1648 509 165 ARG HD2 H 3.196 0.00 2 1649 509 165 ARG HD3 H 3.196 0.00 2 1650 509 165 ARG C C 180.802 0.00 1 1651 509 165 ARG CA C 57.474 0.01 1 1652 509 165 ARG CB C 31.734 0.05 1 1653 509 165 ARG CG C 27.296 0.01 1 1654 509 165 ARG CD C 43.572 0.00 1 1655 509 165 ARG N N 129.548 0.01 1 stop_ save_