data_34180 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the LEDGF/p75 IBD - POGZ (aa 1370-1404) complex ; _BMRB_accession_number 34180 _BMRB_flat_file_name bmr34180.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" 800 "13C chemical shifts" 584 "15N chemical shifts" 133 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,Pogo transposable element with ZNF domain' _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 16036.094 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 139 _Mol_residue_sequence ; SNAASWETSMDSRLQRIHAE IKNSLKIDNLDVNRCIEALD ELASLQVTMQQAQKHTEMIT TLKKIRRFKVSQVIMEKSTM LYNKFKNMFLVGEGDSVITQ VLNKRPRSSPEETIEPESLH QLFEGESETESFYGFEEAD ; 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 1370 ARG 106 1371 PRO 107 1372 ARG 108 1373 SER 109 1374 SER 110 1375 PRO 111 1376 GLU 112 1377 GLU 113 1378 THR 114 1379 ILE 115 1380 GLU 116 1381 PRO 117 1382 GLU 118 1383 SER 119 1384 LEU 120 1385 HIS 121 1386 GLN 122 1387 LEU 123 1388 PHE 124 1389 GLU 125 1390 GLY 126 1391 GLU 127 1392 SER 128 1393 GLU 129 1394 THR 130 1395 GLU 131 1396 SER 132 1397 PHE 133 1398 TYR 134 1399 GLY 135 1400 PHE 136 1401 GLU 137 1402 GLU 138 1403 ALA 139 1404 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-POGZ, 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_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name YASARA _Version . loop_ _Vendor _Address _Electronic_address Krieger . . stop_ loop_ _Task refinement 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 173.931 0.00 1 2 340 2 ASN CA C 52.937 0.00 1 3 340 2 ASN CB C 42.299 0.00 1 4 341 3 ALA H H 8.358 0.00 1 5 341 3 ALA HA H 4.146 0.00 1 6 341 3 ALA HB H 1.312 0.00 1 7 341 3 ALA C C 177.585 0.00 1 8 341 3 ALA CA C 52.775 0.05 1 9 341 3 ALA CB C 19.014 0.02 1 10 341 3 ALA N N 124.597 0.07 1 11 342 4 ALA H H 8.223 0.00 1 12 342 4 ALA HA H 4.213 0.00 1 13 342 4 ALA HB H 1.229 0.00 1 14 342 4 ALA C C 178.171 0.00 1 15 342 4 ALA CA C 52.684 0.04 1 16 342 4 ALA CB C 18.807 0.02 1 17 342 4 ALA N N 122.918 0.01 1 18 343 5 SER H H 8.149 0.00 1 19 343 5 SER HA H 4.431 0.00 1 20 343 5 SER HB2 H 3.860 0.00 2 21 343 5 SER HB3 H 3.860 0.00 2 22 343 5 SER C C 174.895 0.00 1 23 343 5 SER CA C 58.525 0.07 1 24 343 5 SER CB C 63.685 0.13 1 25 343 5 SER N N 114.846 0.05 1 26 344 6 TRP H H 8.010 0.00 1 27 344 6 TRP HA H 4.610 0.00 1 28 344 6 TRP HB2 H 3.320 0.00 2 29 344 6 TRP HB3 H 3.320 0.00 2 30 344 6 TRP HD1 H 7.239 0.00 1 31 344 6 TRP HE1 H 10.172 0.00 1 32 344 6 TRP HE3 H 7.576 0.00 1 33 344 6 TRP HZ2 H 7.468 0.00 1 34 344 6 TRP HZ3 H 7.126 0.00 1 35 344 6 TRP HH2 H 7.206 0.00 1 36 344 6 TRP C C 176.855 0.01 1 37 344 6 TRP CA C 57.916 0.04 1 38 344 6 TRP CB C 29.226 0.02 1 39 344 6 TRP CD1 C 127.214 0.00 1 40 344 6 TRP CE3 C 120.721 0.00 1 41 344 6 TRP CZ2 C 114.671 0.00 1 42 344 6 TRP CZ3 C 121.984 0.00 1 43 344 6 TRP CH2 C 124.601 0.00 1 44 344 6 TRP N N 122.448 0.02 1 45 344 6 TRP NE1 N 129.747 0.01 1 46 345 7 GLU H H 8.265 0.00 1 47 345 7 GLU HA H 4.114 0.00 1 48 345 7 GLU HB2 H 1.966 0.00 2 49 345 7 GLU HB3 H 1.876 0.00 2 50 345 7 GLU HG2 H 2.088 0.01 2 51 345 7 GLU HG3 H 2.088 0.01 2 52 345 7 GLU C C 177.306 0.00 1 53 345 7 GLU CA C 57.755 0.00 1 54 345 7 GLU CB C 29.967 0.00 1 55 345 7 GLU CG C 36.236 0.00 1 56 345 7 GLU N N 121.309 0.01 1 57 346 8 THR H H 8.116 0.01 1 58 346 8 THR HA H 4.324 0.00 1 59 346 8 THR HB H 4.329 0.00 1 60 346 8 THR HG2 H 1.236 0.00 1 61 346 8 THR CA C 62.732 0.00 1 62 346 8 THR CB C 69.701 0.00 1 63 346 8 THR CG2 C 21.695 0.00 1 64 346 8 THR N N 113.695 0.01 1 65 348 10 MET HA H 4.364 0.00 1 66 348 10 MET HB2 H 2.098 0.00 2 67 348 10 MET HB3 H 1.930 0.00 2 68 348 10 MET HG2 H 2.499 0.00 2 69 348 10 MET HG3 H 2.373 0.00 2 70 348 10 MET HE H 2.060 0.00 1 71 348 10 MET C C 177.773 0.00 1 72 348 10 MET CA C 57.093 0.01 1 73 348 10 MET CB C 30.928 0.04 1 74 348 10 MET CG C 32.051 0.07 1 75 348 10 MET CE C 16.734 0.00 1 76 349 11 ASP H H 8.254 0.00 1 77 349 11 ASP HA H 4.409 0.00 1 78 349 11 ASP HB2 H 2.791 0.01 2 79 349 11 ASP HB3 H 2.791 0.01 2 80 349 11 ASP C C 178.095 0.01 1 81 349 11 ASP CA C 58.150 0.00 1 82 349 11 ASP CB C 40.874 0.02 1 83 349 11 ASP N N 118.721 0.02 1 84 350 12 SER H H 7.883 0.00 1 85 350 12 SER HA H 4.193 0.00 1 86 350 12 SER HB2 H 3.891 0.00 2 87 350 12 SER HB3 H 3.891 0.00 2 88 350 12 SER C C 177.214 0.00 1 89 350 12 SER CA C 61.396 0.00 1 90 350 12 SER CB C 62.674 0.00 1 91 350 12 SER N N 114.307 0.01 1 92 351 13 ARG H H 8.003 0.00 1 93 351 13 ARG HA H 4.017 0.00 1 94 351 13 ARG HB2 H 1.937 0.00 2 95 351 13 ARG HB3 H 1.937 0.00 2 96 351 13 ARG HG2 H 1.764 0.00 2 97 351 13 ARG HG3 H 1.559 0.00 2 98 351 13 ARG HD2 H 3.128 0.00 2 99 351 13 ARG HD3 H 3.128 0.00 2 100 351 13 ARG C C 178.424 0.00 1 101 351 13 ARG CA C 59.609 0.04 1 102 351 13 ARG CB C 30.313 0.03 1 103 351 13 ARG CG C 27.081 0.09 1 104 351 13 ARG CD C 43.837 0.03 1 105 351 13 ARG N N 123.560 0.04 1 106 352 14 LEU H H 8.389 0.00 1 107 352 14 LEU HA H 3.806 0.00 1 108 352 14 LEU HB2 H 1.239 0.00 2 109 352 14 LEU HB3 H 0.683 0.00 2 110 352 14 LEU HG H 1.567 0.00 1 111 352 14 LEU HD1 H 0.335 0.00 2 112 352 14 LEU HD2 H 0.526 0.00 2 113 352 14 LEU C C 179.544 0.00 1 114 352 14 LEU CA C 57.925 0.00 1 115 352 14 LEU CB C 40.432 0.03 1 116 352 14 LEU CG C 26.374 0.00 1 117 352 14 LEU CD1 C 25.139 0.01 2 118 352 14 LEU CD2 C 23.221 0.00 2 119 352 14 LEU N N 118.439 0.02 1 120 353 15 GLN H H 8.169 0.00 1 121 353 15 GLN HA H 4.220 0.01 1 122 353 15 GLN HB2 H 2.288 0.00 2 123 353 15 GLN HB3 H 2.175 0.00 2 124 353 15 GLN HG2 H 2.703 0.00 2 125 353 15 GLN HG3 H 2.540 0.00 2 126 353 15 GLN HE21 H 7.512 0.00 2 127 353 15 GLN HE22 H 6.862 0.00 2 128 353 15 GLN C C 179.081 0.01 1 129 353 15 GLN CA C 59.471 0.06 1 130 353 15 GLN CB C 28.254 0.01 1 131 353 15 GLN CG C 34.204 0.01 1 132 353 15 GLN N N 119.326 0.05 1 133 353 15 GLN NE2 N 111.162 0.01 1 134 354 16 ARG H H 7.971 0.00 1 135 354 16 ARG HA H 4.118 0.00 1 136 354 16 ARG HB2 H 2.020 0.00 2 137 354 16 ARG HB3 H 1.898 0.00 2 138 354 16 ARG HG2 H 1.687 0.00 2 139 354 16 ARG HG3 H 1.579 0.00 2 140 354 16 ARG HD2 H 3.206 0.00 2 141 354 16 ARG HD3 H 3.094 0.00 2 142 354 16 ARG C C 178.631 0.00 1 143 354 16 ARG CA C 59.558 0.05 1 144 354 16 ARG CB C 28.928 0.03 1 145 354 16 ARG CG C 26.779 0.03 1 146 354 16 ARG CD C 42.681 0.00 1 147 354 16 ARG N N 121.925 0.03 1 148 355 17 ILE H H 8.376 0.00 1 149 355 17 ILE HA H 3.571 0.00 1 150 355 17 ILE HB H 1.777 0.00 1 151 355 17 ILE HG12 H 1.021 0.00 2 152 355 17 ILE HG13 H 1.848 0.00 2 153 355 17 ILE HG2 H 0.926 0.00 1 154 355 17 ILE HD1 H 0.704 0.00 1 155 355 17 ILE C C 177.517 0.01 1 156 355 17 ILE CA C 65.631 0.10 1 157 355 17 ILE CB C 38.627 0.04 1 158 355 17 ILE CG1 C 30.218 0.02 1 159 355 17 ILE CG2 C 18.257 0.00 1 160 355 17 ILE CD1 C 15.233 0.02 1 161 355 17 ILE N N 120.657 0.01 1 162 356 18 HIS H H 8.343 0.00 1 163 356 18 HIS HA H 4.235 0.00 1 164 356 18 HIS HB2 H 3.167 0.00 2 165 356 18 HIS HB3 H 3.354 0.00 2 166 356 18 HIS HD2 H 6.741 0.00 1 167 356 18 HIS HE1 H 7.393 0.00 1 168 356 18 HIS C C 176.391 0.03 1 169 356 18 HIS CA C 57.986 0.00 1 170 356 18 HIS CB C 29.576 0.02 1 171 356 18 HIS CE1 C 137.726 0.00 1 172 356 18 HIS N N 117.884 0.02 1 173 357 19 ALA H H 7.860 0.00 1 174 357 19 ALA HA H 3.760 0.00 1 175 357 19 ALA HB H 1.434 0.00 1 176 357 19 ALA C C 179.872 0.00 1 177 357 19 ALA CA C 55.154 0.01 1 178 357 19 ALA CB C 17.639 0.02 1 179 357 19 ALA N N 119.440 0.01 1 180 358 20 GLU H H 8.440 0.00 1 181 358 20 GLU HA H 3.952 0.00 1 182 358 20 GLU HB2 H 2.360 0.00 2 183 358 20 GLU HB3 H 1.942 0.00 2 184 358 20 GLU HG2 H 2.356 0.00 2 185 358 20 GLU HG3 H 2.289 0.00 2 186 358 20 GLU C C 179.932 0.01 1 187 358 20 GLU CA C 59.034 0.02 1 188 358 20 GLU CB C 30.701 0.07 1 189 358 20 GLU CG C 36.494 0.02 1 190 358 20 GLU N N 118.581 0.02 1 191 359 21 ILE H H 8.264 0.00 1 192 359 21 ILE HA H 3.534 0.00 1 193 359 21 ILE HB H 2.003 0.00 1 194 359 21 ILE HG12 H 0.897 0.00 2 195 359 21 ILE HG13 H 2.048 0.00 2 196 359 21 ILE HG2 H 0.800 0.00 1 197 359 21 ILE HD1 H 0.728 0.00 1 198 359 21 ILE C C 176.988 0.00 1 199 359 21 ILE CA C 66.327 0.02 1 200 359 21 ILE CB C 38.582 0.05 1 201 359 21 ILE CG1 C 28.931 0.04 1 202 359 21 ILE CG2 C 17.678 0.00 1 203 359 21 ILE CD1 C 14.245 0.00 1 204 359 21 ILE N N 121.418 0.01 1 205 360 22 LYS H H 7.735 0.00 1 206 360 22 LYS HA H 3.538 0.00 1 207 360 22 LYS HB2 H 1.347 0.00 2 208 360 22 LYS HB3 H 1.110 0.00 2 209 360 22 LYS HG2 H 0.905 0.00 2 210 360 22 LYS HG3 H 0.305 0.00 2 211 360 22 LYS HD2 H 0.901 0.00 2 212 360 22 LYS HD3 H 1.000 0.00 2 213 360 22 LYS HE2 H 2.211 0.00 2 214 360 22 LYS HE3 H 1.925 0.00 2 215 360 22 LYS C C 178.790 0.00 1 216 360 22 LYS CA C 59.782 0.06 1 217 360 22 LYS CB C 31.459 0.02 1 218 360 22 LYS CG C 24.920 0.02 1 219 360 22 LYS CD C 28.513 0.01 1 220 360 22 LYS CE C 40.697 0.00 1 221 360 22 LYS N N 115.746 0.02 1 222 361 23 ASN H H 8.525 0.00 1 223 361 23 ASN HA H 4.354 0.00 1 224 361 23 ASN HB2 H 2.772 0.00 2 225 361 23 ASN HB3 H 2.613 0.00 2 226 361 23 ASN HD21 H 6.981 0.00 2 227 361 23 ASN HD22 H 7.461 0.00 2 228 361 23 ASN C C 178.286 0.00 1 229 361 23 ASN CA C 55.747 0.00 1 230 361 23 ASN CB C 38.832 0.02 1 231 361 23 ASN N N 114.141 0.00 1 232 361 23 ASN ND2 N 112.751 0.00 1 233 362 24 SER H H 8.080 0.00 1 234 362 24 SER HA H 4.323 0.00 1 235 362 24 SER HB2 H 4.280 0.00 2 236 362 24 SER HB3 H 3.962 0.00 2 237 362 24 SER C C 173.671 0.00 1 238 362 24 SER CA C 61.676 0.00 1 239 362 24 SER CB C 62.865 0.00 1 240 362 24 SER N N 114.897 0.01 1 241 363 25 LEU H H 7.100 0.00 1 242 363 25 LEU HA H 4.708 0.00 1 243 363 25 LEU HB2 H 1.903 0.00 2 244 363 25 LEU HB3 H 1.469 0.00 2 245 363 25 LEU HG H 1.812 0.00 1 246 363 25 LEU HD1 H 0.311 0.01 2 247 363 25 LEU HD2 H 0.539 0.00 2 248 363 25 LEU C C 175.555 0.01 1 249 363 25 LEU CA C 52.506 0.00 1 250 363 25 LEU CB C 40.665 0.02 1 251 363 25 LEU CG C 25.655 0.00 1 252 363 25 LEU CD1 C 21.573 0.00 2 253 363 25 LEU CD2 C 26.645 0.00 2 254 363 25 LEU N N 119.112 0.01 1 255 364 26 LYS H H 6.872 0.00 1 256 364 26 LYS HA H 4.532 0.00 1 257 364 26 LYS HB2 H 1.878 0.00 2 258 364 26 LYS HB3 H 1.800 0.00 2 259 364 26 LYS HG2 H 1.777 0.00 2 260 364 26 LYS HG3 H 1.543 0.00 2 261 364 26 LYS HD2 H 1.755 0.00 2 262 364 26 LYS HD3 H 1.755 0.00 2 263 364 26 LYS HE2 H 3.014 0.00 2 264 364 26 LYS HE3 H 3.014 0.00 2 265 364 26 LYS C C 178.058 0.00 1 266 364 26 LYS CA C 56.910 0.00 1 267 364 26 LYS CB C 32.927 0.04 1 268 364 26 LYS CG C 25.168 0.01 1 269 364 26 LYS CD C 29.354 0.01 1 270 364 26 LYS CE C 41.989 0.00 1 271 364 26 LYS N N 122.160 0.02 1 272 365 27 ILE H H 8.395 0.00 1 273 365 27 ILE HA H 3.715 0.00 1 274 365 27 ILE HB H 1.435 0.00 1 275 365 27 ILE HG12 H 1.367 0.00 2 276 365 27 ILE HG13 H 1.019 0.00 2 277 365 27 ILE HG2 H 0.854 0.00 1 278 365 27 ILE HD1 H 0.654 0.00 1 279 365 27 ILE C C 175.821 0.00 1 280 365 27 ILE CA C 64.541 0.05 1 281 365 27 ILE CB C 38.950 0.00 1 282 365 27 ILE CG1 C 28.745 0.04 1 283 365 27 ILE CG2 C 16.947 0.00 1 284 365 27 ILE CD1 C 13.889 0.00 1 285 365 27 ILE N N 124.076 0.02 1 286 366 28 ASP HA H 4.521 0.00 1 287 366 28 ASP HB2 H 2.822 0.00 2 288 366 28 ASP HB3 H 2.708 0.01 2 289 366 28 ASP C C 175.706 0.00 1 290 366 28 ASP CA C 54.664 0.00 1 291 366 28 ASP CB C 40.254 0.05 1 292 367 29 ASN H H 8.189 0.00 1 293 367 29 ASN HA H 4.826 0.00 1 294 367 29 ASN HB2 H 2.747 0.00 2 295 367 29 ASN HB3 H 2.467 0.00 2 296 367 29 ASN HD21 H 7.384 0.00 2 297 367 29 ASN HD22 H 6.923 0.00 2 298 367 29 ASN C C 173.059 0.00 1 299 367 29 ASN CA C 53.056 0.00 1 300 367 29 ASN CB C 39.380 0.04 1 301 367 29 ASN N N 120.097 0.03 1 302 368 30 LEU H H 8.254 0.00 1 303 368 30 LEU HA H 4.297 0.00 1 304 368 30 LEU HB2 H 2.005 0.00 2 305 368 30 LEU HB3 H 1.337 0.00 2 306 368 30 LEU HG H 1.899 0.00 1 307 368 30 LEU HD1 H 1.133 0.00 2 308 368 30 LEU HD2 H 0.945 0.00 2 309 368 30 LEU C C 177.857 0.00 1 310 368 30 LEU CA C 56.026 0.00 1 311 368 30 LEU CB C 43.095 0.04 1 312 368 30 LEU CG C 26.542 0.03 1 313 368 30 LEU CD1 C 26.069 0.01 2 314 368 30 LEU CD2 C 24.232 0.00 2 315 368 30 LEU N N 121.576 0.03 1 316 369 31 ASP H H 9.494 0.01 1 317 369 31 ASP HA H 4.845 0.00 1 318 369 31 ASP HB2 H 3.023 0.01 2 319 369 31 ASP HB3 H 2.489 0.00 2 320 369 31 ASP C C 175.599 0.01 1 321 369 31 ASP CA C 52.149 0.00 1 322 369 31 ASP CB C 40.864 0.03 1 323 369 31 ASP N N 125.488 0.02 1 324 370 32 VAL H H 8.388 0.00 1 325 370 32 VAL HA H 3.533 0.00 1 326 370 32 VAL HB H 2.167 0.00 1 327 370 32 VAL HG1 H 1.132 0.00 2 328 370 32 VAL HG2 H 1.168 0.00 2 329 370 32 VAL C C 177.825 0.00 1 330 370 32 VAL CA C 66.526 0.02 1 331 370 32 VAL CB C 32.067 0.03 1 332 370 32 VAL CG1 C 21.498 0.00 2 333 370 32 VAL CG2 C 21.479 0.00 2 334 370 32 VAL N N 122.023 0.01 1 335 371 33 ASN H H 8.630 0.00 1 336 371 33 ASN HA H 4.437 0.00 1 337 371 33 ASN HB2 H 2.889 0.01 2 338 371 33 ASN HB3 H 2.818 0.00 2 339 371 33 ASN HD21 H 7.755 0.00 2 340 371 33 ASN C C 177.587 0.00 1 341 371 33 ASN CA C 56.597 0.00 1 342 371 33 ASN CB C 37.566 0.03 1 343 371 33 ASN N N 117.838 0.02 1 344 371 33 ASN ND2 N 113.063 0.00 1 345 372 34 ARG H H 7.577 0.00 1 346 372 34 ARG HA H 4.093 0.00 1 347 372 34 ARG HB2 H 1.790 0.01 2 348 372 34 ARG HB3 H 1.790 0.01 2 349 372 34 ARG HG2 H 1.469 0.00 2 350 372 34 ARG HG3 H 1.762 0.00 2 351 372 34 ARG HD2 H 2.971 0.00 2 352 372 34 ARG HD3 H 3.221 0.00 2 353 372 34 ARG C C 178.482 0.00 1 354 372 34 ARG CA C 58.721 0.02 1 355 372 34 ARG CB C 30.919 0.02 1 356 372 34 ARG CG C 27.060 0.03 1 357 372 34 ARG CD C 44.380 0.00 1 358 372 34 ARG N N 121.728 0.02 1 359 373 35 CYS H H 7.733 0.00 1 360 373 35 CYS HA H 3.884 0.00 1 361 373 35 CYS HB2 H 3.194 0.00 2 362 373 35 CYS HB3 H 3.096 0.01 2 363 373 35 CYS HG H 1.436 0.00 1 364 373 35 CYS C C 176.810 0.00 1 365 373 35 CYS CA C 63.274 0.04 1 366 373 35 CYS CB C 26.968 0.03 1 367 373 35 CYS N N 120.380 0.01 1 368 374 36 ILE H H 8.443 0.00 1 369 374 36 ILE HA H 3.331 0.00 1 370 374 36 ILE HB H 1.934 0.00 1 371 374 36 ILE HG12 H 0.608 0.00 2 372 374 36 ILE HG13 H 1.940 0.00 2 373 374 36 ILE HG2 H 0.849 0.00 1 374 374 36 ILE HD1 H 0.896 0.00 1 375 374 36 ILE C C 176.876 0.01 1 376 374 36 ILE CA C 66.973 0.03 1 377 374 36 ILE CB C 37.903 0.12 1 378 374 36 ILE CG1 C 31.418 0.20 1 379 374 36 ILE CG2 C 17.594 0.00 1 380 374 36 ILE CD1 C 14.177 0.00 1 381 374 36 ILE N N 119.502 0.02 1 382 375 37 GLU H H 7.904 0.00 1 383 375 37 GLU HA H 4.069 0.00 1 384 375 37 GLU HB2 H 2.112 0.00 2 385 375 37 GLU HB3 H 2.032 0.00 2 386 375 37 GLU HG2 H 2.479 0.00 2 387 375 37 GLU HG3 H 2.272 0.00 2 388 375 37 GLU C C 179.719 0.00 1 389 375 37 GLU CA C 59.846 0.05 1 390 375 37 GLU CB C 29.377 0.03 1 391 375 37 GLU CG C 36.588 0.03 1 392 375 37 GLU N N 117.715 0.01 1 393 376 38 ALA H H 7.520 0.00 1 394 376 38 ALA HA H 4.383 0.00 1 395 376 38 ALA HB H 1.578 0.00 1 396 376 38 ALA C C 179.461 0.01 1 397 376 38 ALA CA C 55.274 0.00 1 398 376 38 ALA CB C 18.425 0.02 1 399 376 38 ALA N N 122.958 0.01 1 400 377 39 LEU H H 8.489 0.00 1 401 377 39 LEU HA H 3.904 0.00 1 402 377 39 LEU HB2 H 1.205 0.00 2 403 377 39 LEU HB3 H 2.043 0.00 2 404 377 39 LEU HG H 2.035 0.00 1 405 377 39 LEU HD1 H 0.874 0.00 2 406 377 39 LEU HD2 H 0.659 0.00 2 407 377 39 LEU C C 179.890 0.00 1 408 377 39 LEU CA C 57.760 0.03 1 409 377 39 LEU CB C 41.158 0.04 1 410 377 39 LEU CG C 26.438 0.00 1 411 377 39 LEU CD1 C 28.147 0.00 2 412 377 39 LEU CD2 C 23.022 0.00 2 413 377 39 LEU N N 118.296 0.02 1 414 378 40 ASP H H 8.954 0.00 1 415 378 40 ASP HA H 4.442 0.00 1 416 378 40 ASP HB2 H 2.727 0.00 2 417 378 40 ASP HB3 H 2.534 0.00 2 418 378 40 ASP C C 179.454 0.01 1 419 378 40 ASP CA C 57.234 0.00 1 420 378 40 ASP CB C 39.134 0.00 1 421 378 40 ASP N N 121.710 0.02 1 422 379 41 GLU H H 8.133 0.00 1 423 379 41 GLU HA H 3.986 0.00 1 424 379 41 GLU HB2 H 2.136 0.00 2 425 379 41 GLU HB3 H 2.136 0.00 2 426 379 41 GLU HG2 H 2.032 0.00 2 427 379 41 GLU HG3 H 2.320 0.00 2 428 379 41 GLU C C 171.933 0.00 1 429 379 41 GLU CA C 59.611 0.04 1 430 379 41 GLU CB C 28.529 0.05 1 431 379 41 GLU CG C 36.093 0.03 1 432 379 41 GLU N N 123.611 0.01 1 433 380 42 LEU H H 8.530 0.00 1 434 380 42 LEU HA H 3.977 0.00 1 435 380 42 LEU HB2 H 1.717 0.00 2 436 380 42 LEU HB3 H 2.241 0.00 2 437 380 42 LEU HG H 1.730 0.00 1 438 380 42 LEU HD1 H 1.036 0.00 2 439 380 42 LEU HD2 H 1.013 0.00 2 440 380 42 LEU C C 178.726 0.00 1 441 380 42 LEU CA C 57.885 0.00 1 442 380 42 LEU CB C 40.961 0.01 1 443 380 42 LEU CG C 27.056 0.00 1 444 380 42 LEU CD1 C 26.530 0.00 2 445 380 42 LEU CD2 C 23.330 0.00 2 446 380 42 LEU N N 121.495 0.02 1 447 381 43 ALA H H 8.366 0.00 1 448 381 43 ALA HA H 3.995 0.00 1 449 381 43 ALA HB H 1.561 0.00 1 450 381 43 ALA C C 177.774 0.00 1 451 381 43 ALA CA C 54.225 0.04 1 452 381 43 ALA CB C 18.652 0.00 1 453 381 43 ALA N N 119.027 0.01 1 454 382 44 SER H H 7.547 0.00 1 455 382 44 SER HA H 4.409 0.00 1 456 382 44 SER HB2 H 4.054 0.00 2 457 382 44 SER HB3 H 3.950 0.00 2 458 382 44 SER C C 174.124 0.00 1 459 382 44 SER CA C 59.290 0.00 1 460 382 44 SER CB C 64.404 0.10 1 461 382 44 SER N N 112.210 0.01 1 462 383 45 LEU H H 7.289 0.00 1 463 383 45 LEU HA H 4.369 0.00 1 464 383 45 LEU HB2 H 1.839 0.00 2 465 383 45 LEU HB3 H 1.257 0.00 2 466 383 45 LEU HG H 2.018 0.00 1 467 383 45 LEU HD1 H 0.741 0.00 2 468 383 45 LEU HD2 H 0.735 0.00 2 469 383 45 LEU C C 176.941 0.00 1 470 383 45 LEU CA C 54.522 0.00 1 471 383 45 LEU CB C 43.087 0.05 1 472 383 45 LEU CG C 25.645 0.00 1 473 383 45 LEU CD1 C 25.831 0.00 2 474 383 45 LEU CD2 C 22.283 0.00 2 475 383 45 LEU N N 122.275 0.02 1 476 384 46 GLN H H 8.646 0.00 1 477 384 46 GLN HA H 4.417 0.00 1 478 384 46 GLN HB2 H 2.027 0.00 2 479 384 46 GLN HB3 H 1.967 0.00 2 480 384 46 GLN HG2 H 2.320 0.00 2 481 384 46 GLN HG3 H 2.266 0.00 2 482 384 46 GLN C C 174.374 0.00 1 483 384 46 GLN CA C 54.854 0.00 1 484 384 46 GLN CB C 27.409 0.03 1 485 384 46 GLN CG C 33.638 0.11 1 486 384 46 GLN N N 123.858 0.03 1 487 385 47 VAL H H 7.802 0.00 1 488 385 47 VAL HA H 4.430 0.00 1 489 385 47 VAL HB H 1.953 0.00 1 490 385 47 VAL HG1 H 0.990 0.00 2 491 385 47 VAL HG2 H 0.916 0.00 2 492 385 47 VAL C C 176.029 0.00 1 493 385 47 VAL CA C 61.328 0.00 1 494 385 47 VAL CB C 33.816 0.05 1 495 385 47 VAL CG1 C 21.909 0.00 2 496 385 47 VAL CG2 C 21.909 0.00 2 497 385 47 VAL N N 123.464 0.01 1 498 386 48 THR H H 8.511 0.00 1 499 386 48 THR HA H 4.546 0.00 1 500 386 48 THR HB H 4.702 0.00 1 501 386 48 THR HG1 H 5.545 0.00 1 502 386 48 THR HG2 H 1.278 0.00 1 503 386 48 THR C C 175.635 0.00 1 504 386 48 THR CA C 60.103 0.00 1 505 386 48 THR CB C 71.517 0.00 1 506 386 48 THR CG2 C 21.608 0.01 1 507 386 48 THR N N 116.575 0.01 1 508 387 49 MET H H 9.035 0.00 1 509 387 49 MET HA H 3.932 0.00 1 510 387 49 MET HB2 H 1.925 0.00 2 511 387 49 MET HB3 H 1.925 0.00 2 512 387 49 MET HG2 H 2.148 0.00 2 513 387 49 MET HG3 H 2.148 0.00 2 514 387 49 MET HE H 1.828 0.00 1 515 387 49 MET C C 177.558 0.00 1 516 387 49 MET CA C 59.264 0.00 1 517 387 49 MET CB C 32.375 0.09 1 518 387 49 MET CG C 31.726 0.02 1 519 387 49 MET CE C 16.690 0.00 1 520 387 49 MET N N 121.463 0.01 1 521 388 50 GLN H H 8.333 0.00 1 522 388 50 GLN HA H 3.999 0.01 1 523 388 50 GLN HB2 H 2.073 0.00 2 524 388 50 GLN HB3 H 1.968 0.00 2 525 388 50 GLN HG2 H 2.494 0.00 2 526 388 50 GLN HG3 H 2.422 0.00 2 527 388 50 GLN C C 179.066 0.01 1 528 388 50 GLN CA C 59.457 0.08 1 529 388 50 GLN CB C 27.958 0.01 1 530 388 50 GLN CG C 34.451 0.02 1 531 388 50 GLN N N 116.653 0.01 1 532 389 51 GLN H H 7.543 0.01 1 533 389 51 GLN HA H 4.135 0.00 1 534 389 51 GLN HB2 H 2.433 0.00 2 535 389 51 GLN HB3 H 1.724 0.00 2 536 389 51 GLN HG2 H 2.488 0.00 2 537 389 51 GLN HG3 H 2.392 0.00 2 538 389 51 GLN HE21 H 7.575 0.00 2 539 389 51 GLN HE22 H 6.663 0.00 2 540 389 51 GLN C C 178.662 0.00 1 541 389 51 GLN CA C 58.214 0.04 1 542 389 51 GLN CB C 28.648 0.01 1 543 389 51 GLN CG C 34.159 0.01 1 544 389 51 GLN N N 117.857 0.03 1 545 389 51 GLN NE2 N 109.636 0.00 1 546 390 52 ALA H H 8.625 0.00 1 547 390 52 ALA HA H 3.780 0.00 1 548 390 52 ALA HB H 1.463 0.00 1 549 390 52 ALA C C 178.638 0.00 1 550 390 52 ALA CA C 55.347 0.05 1 551 390 52 ALA CB C 18.520 0.00 1 552 390 52 ALA N N 121.332 0.02 1 553 391 53 GLN H H 7.984 0.00 1 554 391 53 GLN HA H 3.899 0.00 1 555 391 53 GLN HB2 H 2.228 0.00 2 556 391 53 GLN HB3 H 2.119 0.00 2 557 391 53 GLN HG2 H 2.526 0.00 2 558 391 53 GLN HG3 H 2.396 0.00 2 559 391 53 GLN C C 176.753 0.00 1 560 391 53 GLN CA C 58.489 0.05 1 561 391 53 GLN CB C 28.688 0.04 1 562 391 53 GLN CG C 34.394 0.01 1 563 391 53 GLN N N 113.176 0.02 1 564 392 54 LYS H H 7.368 0.00 1 565 392 54 LYS HA H 4.233 0.01 1 566 392 54 LYS HB2 H 1.740 0.00 2 567 392 54 LYS HB3 H 1.740 0.00 2 568 392 54 LYS HG2 H 1.445 0.00 2 569 392 54 LYS HG3 H 1.302 0.00 2 570 392 54 LYS HD2 H 1.719 0.00 2 571 392 54 LYS HD3 H 1.654 0.00 2 572 392 54 LYS HE2 H 2.995 0.00 2 573 392 54 LYS HE3 H 2.926 0.00 2 574 392 54 LYS C C 176.498 0.00 1 575 392 54 LYS CA C 56.839 0.04 1 576 392 54 LYS CB C 32.694 0.03 1 577 392 54 LYS CG C 25.163 0.03 1 578 392 54 LYS CD C 29.113 0.01 1 579 392 54 LYS N N 116.623 0.01 1 580 393 55 HIS H H 7.803 0.00 1 581 393 55 HIS HA H 4.853 0.00 1 582 393 55 HIS HB2 H 3.284 0.00 2 583 393 55 HIS HB3 H 2.494 0.00 2 584 393 55 HIS HD2 H 7.354 0.00 1 585 393 55 HIS HE1 H 7.782 0.00 1 586 393 55 HIS C C 176.086 0.00 1 587 393 55 HIS CA C 55.630 0.04 1 588 393 55 HIS CB C 30.156 0.01 1 589 393 55 HIS CE1 C 138.106 0.00 1 590 393 55 HIS N N 120.245 0.02 1 591 394 56 THR H H 7.568 0.00 1 592 394 56 THR HA H 3.667 0.00 1 593 394 56 THR HB H 4.078 0.00 1 594 394 56 THR HG2 H 1.178 0.00 1 595 394 56 THR C C 177.471 0.00 1 596 394 56 THR CA C 65.849 0.08 1 597 394 56 THR CB C 68.105 0.02 1 598 394 56 THR CG2 C 22.210 0.00 1 599 394 56 THR N N 112.085 0.01 1 600 395 57 GLU H H 8.938 0.00 1 601 395 57 GLU HA H 4.013 0.00 1 602 395 57 GLU HB2 H 2.031 0.00 2 603 395 57 GLU HB3 H 2.031 0.00 2 604 395 57 GLU HG2 H 2.297 0.00 2 605 395 57 GLU HG3 H 2.297 0.00 2 606 395 57 GLU C C 178.296 0.01 1 607 395 57 GLU CA C 59.700 0.10 1 608 395 57 GLU CB C 28.241 0.06 1 609 395 57 GLU CG C 36.501 0.05 1 610 395 57 GLU N N 122.736 0.01 1 611 396 58 MET H H 7.744 0.00 1 612 396 58 MET HA H 3.032 0.00 1 613 396 58 MET HB2 H 1.559 0.00 2 614 396 58 MET HB3 H 2.139 0.00 2 615 396 58 MET HG2 H 2.036 0.00 2 616 396 58 MET HG3 H 2.003 0.00 2 617 396 58 MET HE H 1.747 0.00 1 618 396 58 MET C C 177.377 0.01 1 619 396 58 MET CA C 57.974 0.05 1 620 396 58 MET CB C 32.495 0.02 1 621 396 58 MET CG C 31.484 0.01 1 622 396 58 MET CE C 17.127 0.00 1 623 396 58 MET N N 120.048 0.05 1 624 397 59 ILE H H 7.337 0.00 1 625 397 59 ILE HA H 3.446 0.00 1 626 397 59 ILE HB H 1.929 0.00 1 627 397 59 ILE HG12 H 1.458 0.00 2 628 397 59 ILE HG13 H 0.578 0.00 2 629 397 59 ILE HG2 H 0.863 0.00 1 630 397 59 ILE HD1 H 0.532 0.00 1 631 397 59 ILE C C 177.315 0.01 1 632 397 59 ILE CA C 65.488 0.01 1 633 397 59 ILE CB C 36.512 0.02 1 634 397 59 ILE CG1 C 28.885 0.03 1 635 397 59 ILE CG2 C 18.362 0.00 1 636 397 59 ILE CD1 C 12.878 0.00 1 637 397 59 ILE N N 119.355 0.01 1 638 398 60 THR H H 7.832 0.00 1 639 398 60 THR HA H 3.777 0.00 1 640 398 60 THR HB H 4.368 0.00 1 641 398 60 THR HG2 H 1.203 0.00 1 642 398 60 THR C C 176.514 0.00 1 643 398 60 THR CA C 67.021 0.09 1 644 398 60 THR CB C 68.085 0.05 1 645 398 60 THR CG2 C 21.974 0.11 1 646 398 60 THR N N 117.507 0.02 1 647 399 61 THR H H 8.094 0.01 1 648 399 61 THR HA H 3.796 0.00 1 649 399 61 THR HB H 4.427 0.00 1 650 399 61 THR HG2 H 1.220 0.00 1 651 399 61 THR C C 175.876 0.00 1 652 399 61 THR CA C 67.460 0.00 1 653 399 61 THR CB C 66.803 0.00 1 654 399 61 THR CG2 C 24.027 0.01 1 655 399 61 THR N N 121.755 0.03 1 656 400 62 LEU H H 8.136 0.00 1 657 400 62 LEU HA H 3.879 0.01 1 658 400 62 LEU HB2 H 2.257 0.00 2 659 400 62 LEU HB3 H 1.409 0.00 2 660 400 62 LEU HG H 1.943 0.00 1 661 400 62 LEU HD1 H 0.883 0.00 2 662 400 62 LEU HD2 H 0.788 0.00 2 663 400 62 LEU C C 176.978 0.00 1 664 400 62 LEU CA C 57.944 0.08 1 665 400 62 LEU CB C 42.227 0.03 1 666 400 62 LEU CG C 26.366 0.00 1 667 400 62 LEU CD1 C 26.355 0.00 2 668 400 62 LEU CD2 C 22.679 0.00 2 669 400 62 LEU N N 120.155 0.04 1 670 401 63 LYS H H 8.119 0.00 1 671 401 63 LYS HA H 2.889 0.00 1 672 401 63 LYS HB2 H 2.031 0.01 2 673 401 63 LYS HB3 H 1.717 0.00 2 674 401 63 LYS HG2 H 1.065 0.00 2 675 401 63 LYS HG3 H 0.626 0.00 2 676 401 63 LYS HD2 H 1.655 0.00 2 677 401 63 LYS HD3 H 1.655 0.00 2 678 401 63 LYS HE2 H 2.879 0.00 2 679 401 63 LYS HE3 H 2.879 0.00 2 680 401 63 LYS C C 179.587 0.00 1 681 401 63 LYS CB C 33.182 0.03 1 682 401 63 LYS CG C 25.420 0.03 1 683 401 63 LYS CD C 30.226 0.02 1 684 401 63 LYS N N 116.310 0.02 1 685 402 64 LYS H H 7.534 0.00 1 686 402 64 LYS HA H 3.793 0.00 1 687 402 64 LYS HB2 H 1.581 0.00 2 688 402 64 LYS HB3 H 1.000 0.00 2 689 402 64 LYS HG2 H 1.215 0.01 2 690 402 64 LYS HG3 H 0.926 0.00 2 691 402 64 LYS HD2 H 1.437 0.00 2 692 402 64 LYS HD3 H 1.437 0.00 2 693 402 64 LYS HE2 H 2.854 0.00 2 694 402 64 LYS HE3 H 2.776 0.00 2 695 402 64 LYS C C 178.812 0.03 1 696 402 64 LYS CA C 59.029 0.06 1 697 402 64 LYS CB C 32.525 0.04 1 698 402 64 LYS CG C 24.503 0.07 1 699 402 64 LYS CD C 29.598 0.00 1 700 402 64 LYS CE C 41.928 0.02 1 701 402 64 LYS N N 117.701 0.02 1 702 403 65 ILE H H 7.623 0.00 1 703 403 65 ILE HA H 3.719 0.00 1 704 403 65 ILE HB H 1.884 0.00 1 705 403 65 ILE HG12 H 1.523 0.00 2 706 403 65 ILE HG13 H 1.523 0.00 2 707 403 65 ILE HG2 H 0.687 0.00 1 708 403 65 ILE HD1 H 0.674 0.00 1 709 403 65 ILE C C 175.855 0.01 1 710 403 65 ILE CA C 64.222 0.03 1 711 403 65 ILE CB C 36.762 0.01 1 712 403 65 ILE CG1 C 25.334 0.00 1 713 403 65 ILE CG2 C 17.690 0.03 1 714 403 65 ILE CD1 C 14.840 0.00 1 715 403 65 ILE N N 110.912 0.03 1 716 404 66 ARG H H 7.040 0.00 1 717 404 66 ARG HA H 4.226 0.00 1 718 404 66 ARG HB2 H 1.660 0.00 2 719 404 66 ARG HB3 H 1.660 0.00 2 720 404 66 ARG HG2 H 2.083 0.00 2 721 404 66 ARG HG3 H 1.553 0.00 2 722 404 66 ARG C C 176.767 0.00 1 723 404 66 ARG CA C 58.633 0.00 1 724 404 66 ARG CB C 30.865 0.00 1 725 404 66 ARG CG C 25.177 0.02 1 726 404 66 ARG N N 119.705 0.03 1 727 405 67 ARG H H 7.214 0.00 1 728 405 67 ARG HA H 4.462 0.00 1 729 405 67 ARG HB2 H 2.314 0.00 2 730 405 67 ARG HB3 H 1.709 0.00 2 731 405 67 ARG HG2 H 1.600 0.00 2 732 405 67 ARG HG3 H 1.403 0.00 2 733 405 67 ARG HD2 H 3.096 0.00 2 734 405 67 ARG HD3 H 3.096 0.00 2 735 405 67 ARG C C 176.458 0.01 1 736 405 67 ARG CA C 53.557 0.00 1 737 405 67 ARG CB C 28.861 0.03 1 738 405 67 ARG CG C 27.177 0.01 1 739 405 67 ARG CD C 42.449 0.00 1 740 405 67 ARG N N 112.079 0.02 1 741 406 68 PHE H H 7.661 0.00 1 742 406 68 PHE HA H 5.375 0.00 1 743 406 68 PHE HB2 H 2.978 0.00 2 744 406 68 PHE HB3 H 3.460 0.00 2 745 406 68 PHE HD1 H 7.270 0.00 3 746 406 68 PHE HD2 H 7.270 0.00 3 747 406 68 PHE HE1 H 7.048 0.00 3 748 406 68 PHE HE2 H 7.048 0.00 3 749 406 68 PHE HZ H 7.144 0.00 1 750 406 68 PHE C C 172.796 0.01 1 751 406 68 PHE CA C 56.047 0.05 1 752 406 68 PHE CB C 38.495 0.01 1 753 406 68 PHE CD1 C 132.065 0.01 3 754 406 68 PHE CE1 C 130.727 0.07 3 755 406 68 PHE CZ C 130.375 0.00 1 756 406 68 PHE N N 122.674 0.02 1 757 407 69 LYS H H 7.511 0.00 1 758 407 69 LYS HA H 4.106 0.00 1 759 407 69 LYS HB2 H 1.543 0.00 2 760 407 69 LYS HB3 H 1.707 0.00 2 761 407 69 LYS HG2 H 1.490 0.00 2 762 407 69 LYS HG3 H 1.375 0.01 2 763 407 69 LYS HD2 H 1.634 0.00 2 764 407 69 LYS HD3 H 1.585 0.00 2 765 407 69 LYS HE2 H 2.964 0.00 2 766 407 69 LYS HE3 H 2.964 0.00 2 767 407 69 LYS C C 176.337 0.01 1 768 407 69 LYS CA C 57.672 0.03 1 769 407 69 LYS CB C 32.382 0.04 1 770 407 69 LYS CG C 24.518 0.02 1 771 407 69 LYS CD C 28.593 0.05 1 772 407 69 LYS CE C 42.024 0.00 1 773 407 69 LYS N N 125.802 0.02 1 774 408 70 VAL H H 6.068 0.00 1 775 408 70 VAL HA H 3.534 0.00 1 776 408 70 VAL HB H 0.646 0.00 1 777 408 70 VAL HG1 H 0.600 0.00 2 778 408 70 VAL HG2 H 0.687 0.00 2 779 408 70 VAL C C 175.420 0.01 1 780 408 70 VAL CA C 63.233 0.02 1 781 408 70 VAL CB C 31.997 0.06 1 782 408 70 VAL CG1 C 21.878 0.02 2 783 408 70 VAL CG2 C 20.775 0.00 2 784 408 70 VAL N N 114.463 0.01 1 785 409 71 SER H H 7.224 0.00 1 786 409 71 SER HA H 4.889 0.00 1 787 409 71 SER HB2 H 3.794 0.00 2 788 409 71 SER HB3 H 3.905 0.00 2 789 409 71 SER CA C 55.753 0.00 1 790 409 71 SER CB C 64.291 0.00 1 791 409 71 SER N N 110.971 0.01 1 792 410 72 GLN HA H 4.075 0.00 1 793 410 72 GLN HB2 H 2.172 0.00 2 794 410 72 GLN HB3 H 2.072 0.00 2 795 410 72 GLN HG2 H 2.436 0.01 2 796 410 72 GLN HG3 H 2.436 0.01 2 797 410 72 GLN HE21 H 7.751 0.01 2 798 410 72 GLN HE22 H 6.804 0.00 2 799 410 72 GLN C C 177.722 0.00 1 800 410 72 GLN CA C 59.025 0.00 1 801 410 72 GLN CB C 28.127 0.00 1 802 410 72 GLN CG C 33.284 0.04 1 803 410 72 GLN NE2 N 112.363 0.00 1 804 411 73 VAL H H 7.760 0.00 1 805 411 73 VAL HA H 3.893 0.00 1 806 411 73 VAL HB H 1.808 0.00 1 807 411 73 VAL HG1 H 1.075 0.00 2 808 411 73 VAL HG2 H 0.970 0.00 2 809 411 73 VAL C C 178.255 0.01 1 810 411 73 VAL CA C 66.047 0.05 1 811 411 73 VAL CB C 31.978 0.03 1 812 411 73 VAL CG1 C 22.140 0.00 2 813 411 73 VAL CG2 C 21.565 0.00 2 814 411 73 VAL N N 117.943 0.01 1 815 412 74 ILE H H 7.821 0.00 1 816 412 74 ILE HA H 3.514 0.00 1 817 412 74 ILE HB H 2.184 0.00 1 818 412 74 ILE HG12 H 0.986 0.00 2 819 412 74 ILE HG13 H 1.902 0.00 2 820 412 74 ILE HG2 H 1.002 0.00 1 821 412 74 ILE HD1 H 1.291 0.00 1 822 412 74 ILE C C 179.529 0.08 1 823 412 74 ILE CA C 66.209 0.05 1 824 412 74 ILE CB C 37.716 0.03 1 825 412 74 ILE CG1 C 31.127 0.05 1 826 412 74 ILE CG2 C 16.956 0.01 1 827 412 74 ILE CD1 C 14.617 0.00 1 828 412 74 ILE N N 120.454 0.10 1 829 413 75 MET H H 8.369 0.00 1 830 413 75 MET HA H 4.061 0.00 1 831 413 75 MET HB2 H 2.375 0.00 2 832 413 75 MET HB3 H 2.182 0.00 2 833 413 75 MET HG2 H 2.951 0.00 2 834 413 75 MET HG3 H 2.171 0.00 2 835 413 75 MET HE H 2.021 0.00 1 836 413 75 MET C C 178.845 0.00 1 837 413 75 MET CA C 61.277 0.02 1 838 413 75 MET CB C 33.798 0.04 1 839 413 75 MET CG C 32.120 0.00 1 840 413 75 MET CE C 16.394 0.03 1 841 413 75 MET N N 121.653 0.02 1 842 414 76 GLU H H 8.645 0.00 1 843 414 76 GLU HA H 4.085 0.00 1 844 414 76 GLU HB2 H 2.286 0.00 2 845 414 76 GLU HB3 H 2.133 0.00 2 846 414 76 GLU HG2 H 2.529 0.00 2 847 414 76 GLU HG3 H 2.306 0.00 2 848 414 76 GLU C C 179.902 0.06 1 849 414 76 GLU CA C 59.942 0.04 1 850 414 76 GLU CB C 29.829 0.00 1 851 414 76 GLU CG C 36.485 0.00 1 852 414 76 GLU N N 121.445 0.02 1 853 415 77 LYS H H 8.817 0.00 1 854 415 77 LYS HA H 4.170 0.00 1 855 415 77 LYS HB2 H 1.805 0.01 2 856 415 77 LYS HB3 H 1.805 0.01 2 857 415 77 LYS HG2 H 1.605 0.00 2 858 415 77 LYS HG3 H 1.764 0.01 2 859 415 77 LYS HD2 H 1.614 0.00 2 860 415 77 LYS HD3 H 1.362 0.00 2 861 415 77 LYS HE2 H 3.014 0.00 2 862 415 77 LYS HE3 H 2.860 0.00 2 863 415 77 LYS C C 179.788 0.00 1 864 415 77 LYS CA C 60.346 0.07 1 865 415 77 LYS CB C 34.289 0.10 1 866 415 77 LYS CG C 27.300 0.06 1 867 415 77 LYS CD C 29.373 0.00 1 868 415 77 LYS CE C 42.061 0.06 1 869 415 77 LYS N N 120.141 0.02 1 870 416 78 SER H H 8.756 0.00 1 871 416 78 SER HA H 4.040 0.00 1 872 416 78 SER HB2 H 3.893 0.00 2 873 416 78 SER HB3 H 3.739 0.00 2 874 416 78 SER HG H 4.239 0.00 1 875 416 78 SER C C 176.635 0.00 1 876 416 78 SER CA C 62.623 0.00 1 877 416 78 SER CB C 62.744 0.05 1 878 416 78 SER N N 114.158 0.01 1 879 417 79 THR H H 8.021 0.00 1 880 417 79 THR HA H 3.765 0.00 1 881 417 79 THR HB H 4.473 0.00 1 882 417 79 THR HG1 H 5.646 0.00 1 883 417 79 THR HG2 H 1.321 0.00 1 884 417 79 THR C C 175.347 0.00 1 885 417 79 THR CA C 68.562 0.01 1 886 417 79 THR CB C 68.611 0.00 1 887 417 79 THR CG2 C 21.107 0.00 1 888 417 79 THR N N 121.280 0.02 1 889 418 80 MET H H 7.825 0.00 1 890 418 80 MET HA H 4.169 0.00 1 891 418 80 MET HB2 H 2.272 0.00 2 892 418 80 MET HB3 H 2.272 0.00 2 893 418 80 MET HG2 H 2.584 0.00 2 894 418 80 MET HG3 H 2.801 0.00 2 895 418 80 MET HE H 2.119 0.00 1 896 418 80 MET C C 179.603 0.00 1 897 418 80 MET CA C 59.407 0.05 1 898 418 80 MET CB C 31.933 0.03 1 899 418 80 MET CG C 32.024 0.04 1 900 418 80 MET CE C 17.072 0.00 1 901 418 80 MET N N 120.651 0.02 1 902 419 81 LEU H H 7.985 0.00 1 903 419 81 LEU HA H 3.957 0.00 1 904 419 81 LEU HB2 H 1.983 0.00 2 905 419 81 LEU HB3 H 1.353 0.00 2 906 419 81 LEU HG H 1.927 0.00 1 907 419 81 LEU HD1 H 1.002 0.00 2 908 419 81 LEU HD2 H 0.810 0.00 2 909 419 81 LEU C C 177.549 0.00 1 910 419 81 LEU CA C 57.872 0.05 1 911 419 81 LEU CB C 43.852 0.05 1 912 419 81 LEU CG C 27.233 0.05 1 913 419 81 LEU CD1 C 26.891 0.00 2 914 419 81 LEU CD2 C 23.153 0.00 2 915 419 81 LEU N N 120.564 0.02 1 916 420 82 TYR H H 9.199 0.00 1 917 420 82 TYR HA H 4.091 0.00 1 918 420 82 TYR HB2 H 2.970 0.00 2 919 420 82 TYR HB3 H 3.069 0.00 2 920 420 82 TYR HD1 H 7.112 0.00 3 921 420 82 TYR HD2 H 7.112 0.00 3 922 420 82 TYR HE1 H 6.728 0.00 3 923 420 82 TYR HE2 H 6.728 0.00 3 924 420 82 TYR C C 176.528 0.01 1 925 420 82 TYR CA C 62.849 0.00 1 926 420 82 TYR CB C 38.820 0.00 1 927 420 82 TYR CD1 C 132.727 0.00 3 928 420 82 TYR CE1 C 117.970 0.00 3 929 420 82 TYR N N 120.656 0.02 1 930 421 83 ASN H H 8.464 0.00 1 931 421 83 ASN HA H 4.181 0.00 1 932 421 83 ASN HB2 H 2.931 0.00 2 933 421 83 ASN HB3 H 2.690 0.00 2 934 421 83 ASN HD21 H 7.523 0.00 2 935 421 83 ASN HD22 H 6.971 0.01 2 936 421 83 ASN C C 177.269 0.01 1 937 421 83 ASN CA C 55.748 0.00 1 938 421 83 ASN CB C 37.493 0.04 1 939 421 83 ASN N N 116.363 0.02 1 940 421 83 ASN ND2 N 111.063 0.00 1 941 422 84 LYS H H 7.845 0.00 1 942 422 84 LYS HA H 3.934 0.00 1 943 422 84 LYS HB2 H 1.821 0.00 2 944 422 84 LYS HB3 H 1.821 0.00 2 945 422 84 LYS HG2 H 1.364 0.00 2 946 422 84 LYS HG3 H 0.914 0.00 2 947 422 84 LYS HD2 H 1.506 0.00 2 948 422 84 LYS HD3 H 1.350 0.00 2 949 422 84 LYS HE2 H 2.730 0.00 2 950 422 84 LYS HE3 H 2.730 0.00 2 951 422 84 LYS C C 179.522 0.01 1 952 422 84 LYS CA C 59.665 0.02 1 953 422 84 LYS CB C 32.122 0.00 1 954 422 84 LYS CG C 24.739 0.04 1 955 422 84 LYS CD C 29.819 0.01 1 956 422 84 LYS CE C 41.897 0.00 1 957 422 84 LYS N N 121.838 0.02 1 958 423 85 PHE H H 7.997 0.00 1 959 423 85 PHE HA H 4.368 0.00 1 960 423 85 PHE HB2 H 3.038 0.00 2 961 423 85 PHE HB3 H 2.992 0.00 2 962 423 85 PHE HD1 H 7.306 0.00 3 963 423 85 PHE HD2 H 7.306 0.00 3 964 423 85 PHE HE1 H 7.019 0.00 3 965 423 85 PHE HE2 H 7.019 0.00 3 966 423 85 PHE HZ H 7.013 0.00 1 967 423 85 PHE C C 177.020 0.00 1 968 423 85 PHE CA C 61.447 0.06 1 969 423 85 PHE CB C 38.540 0.03 1 970 423 85 PHE CD1 C 131.695 0.00 3 971 423 85 PHE CE1 C 129.899 0.00 3 972 423 85 PHE CZ C 128.415 0.00 1 973 423 85 PHE N N 118.074 0.01 1 974 424 86 LYS H H 8.665 0.00 1 975 424 86 LYS HA H 4.184 0.00 1 976 424 86 LYS HB2 H 0.963 0.01 2 977 424 86 LYS HB3 H 1.493 0.00 2 978 424 86 LYS HG2 H 0.911 0.01 2 979 424 86 LYS HG3 H 0.531 0.01 2 980 424 86 LYS HE2 H 2.798 0.00 2 981 424 86 LYS HE3 H 2.798 0.00 2 982 424 86 LYS C C 178.177 0.00 1 983 424 86 LYS CA C 59.651 0.08 1 984 424 86 LYS CB C 32.018 0.04 1 985 424 86 LYS CG C 24.483 0.10 1 986 424 86 LYS CD C 29.672 0.00 1 987 424 86 LYS N N 121.011 0.04 1 988 425 87 ASN H H 7.977 0.00 1 989 425 87 ASN HA H 4.335 0.00 1 990 425 87 ASN HB2 H 2.717 0.00 2 991 425 87 ASN HB3 H 2.717 0.00 2 992 425 87 ASN C C 177.109 0.01 1 993 425 87 ASN CA C 55.657 0.02 1 994 425 87 ASN CB C 38.206 0.04 1 995 425 87 ASN N N 115.331 0.03 1 996 426 88 MET H H 7.631 0.00 1 997 426 88 MET HA H 3.999 0.00 1 998 426 88 MET HB2 H 2.154 0.00 2 999 426 88 MET HB3 H 1.916 0.00 2 1000 426 88 MET HG2 H 2.597 0.00 2 1001 426 88 MET HG3 H 2.353 0.00 2 1002 426 88 MET HE H 1.829 0.00 1 1003 426 88 MET C C 176.954 0.00 1 1004 426 88 MET CA C 58.664 0.00 1 1005 426 88 MET CB C 33.355 0.01 1 1006 426 88 MET CG C 31.577 0.03 1 1007 426 88 MET CE C 16.699 0.00 1 1008 426 88 MET N N 118.166 0.01 1 1009 427 89 PHE H H 7.622 0.00 1 1010 427 89 PHE HA H 4.380 0.00 1 1011 427 89 PHE HB2 H 3.086 0.00 2 1012 427 89 PHE HB3 H 2.850 0.00 2 1013 427 89 PHE HD1 H 7.445 0.01 3 1014 427 89 PHE HD2 H 7.445 0.01 3 1015 427 89 PHE HE1 H 7.174 0.00 3 1016 427 89 PHE HE2 H 7.174 0.00 3 1017 427 89 PHE HZ H 6.986 0.00 1 1018 427 89 PHE C C 176.328 0.00 1 1019 427 89 PHE CA C 59.613 0.05 1 1020 427 89 PHE CB C 39.895 0.03 1 1021 427 89 PHE CD1 C 132.310 0.00 3 1022 427 89 PHE CE1 C 130.695 0.00 3 1023 427 89 PHE CZ C 129.031 0.00 1 1024 427 89 PHE N N 115.891 0.02 1 1025 428 90 LEU H H 7.875 0.00 1 1026 428 90 LEU HA H 4.300 0.00 1 1027 428 90 LEU HB2 H 1.493 0.00 2 1028 428 90 LEU HB3 H 1.662 0.00 2 1029 428 90 LEU HG H 1.597 0.00 1 1030 428 90 LEU HD1 H 0.769 0.00 2 1031 428 90 LEU HD2 H 0.777 0.00 2 1032 428 90 LEU C C 177.656 0.00 1 1033 428 90 LEU CA C 55.822 0.04 1 1034 428 90 LEU CB C 41.809 0.02 1 1035 428 90 LEU CG C 26.765 0.00 1 1036 428 90 LEU CD1 C 25.401 0.00 2 1037 428 90 LEU CD2 C 23.112 0.01 2 1038 428 90 LEU N N 119.387 0.02 1 1039 429 91 VAL H H 7.875 0.00 1 1040 429 91 VAL HA H 4.052 0.00 1 1041 429 91 VAL HB H 2.097 0.00 1 1042 429 91 VAL HG1 H 0.897 0.00 2 1043 429 91 VAL HG2 H 0.897 0.00 2 1044 429 91 VAL C C 176.872 0.00 1 1045 429 91 VAL CA C 62.935 0.04 1 1046 429 91 VAL CB C 32.516 0.00 1 1047 429 91 VAL CG1 C 20.976 0.06 2 1048 429 91 VAL N N 118.803 0.03 1 1049 430 92 GLY H H 8.167 0.00 1 1050 430 92 GLY HA2 H 3.951 0.00 2 1051 430 92 GLY HA3 H 3.951 0.00 2 1052 430 92 GLY C C 174.053 0.00 1 1053 430 92 GLY CA C 45.366 0.00 1 1054 430 92 GLY N N 110.870 0.00 1 1055 431 93 GLU H H 8.258 0.01 1 1056 431 93 GLU HA H 4.290 0.00 1 1057 431 93 GLU HB2 H 2.056 0.00 2 1058 431 93 GLU HB3 H 1.904 0.00 2 1059 431 93 GLU HG2 H 2.196 0.00 2 1060 431 93 GLU HG3 H 2.196 0.00 2 1061 431 93 GLU C C 177.011 0.01 1 1062 431 93 GLU CA C 56.466 0.00 1 1063 431 93 GLU CB C 30.462 0.00 1 1064 431 93 GLU CG C 36.299 0.00 1 1065 431 93 GLU N N 120.483 0.03 1 1066 432 94 GLY H H 8.425 0.00 1 1067 432 94 GLY HA2 H 3.966 0.00 2 1068 432 94 GLY HA3 H 3.888 0.00 2 1069 432 94 GLY C C 174.007 0.00 1 1070 432 94 GLY CA C 45.489 0.00 1 1071 432 94 GLY N N 109.842 0.01 1 1072 433 95 ASP H H 8.233 0.00 1 1073 433 95 ASP HA H 4.608 0.00 1 1074 433 95 ASP HB2 H 2.683 0.00 2 1075 433 95 ASP HB3 H 2.621 0.00 2 1076 433 95 ASP C C 176.450 0.00 1 1077 433 95 ASP CA C 54.388 0.00 1 1078 433 95 ASP CB C 41.227 0.03 1 1079 433 95 ASP N N 120.572 0.01 1 1080 434 96 SER H H 8.209 0.00 1 1081 434 96 SER HA H 4.432 0.00 1 1082 434 96 SER HB2 H 3.866 0.00 2 1083 434 96 SER HB3 H 3.866 0.00 2 1084 434 96 SER C C 174.650 0.00 1 1085 434 96 SER CA C 58.565 0.00 1 1086 434 96 SER CB C 63.720 0.00 1 1087 434 96 SER N N 115.756 0.01 1 1088 435 97 VAL H H 8.083 0.00 1 1089 435 97 VAL HA H 4.079 0.00 1 1090 435 97 VAL HB H 2.093 0.00 1 1091 435 97 VAL HG1 H 0.902 0.00 2 1092 435 97 VAL HG2 H 0.902 0.00 2 1093 435 97 VAL C C 176.495 0.00 1 1094 435 97 VAL CA C 62.905 0.00 1 1095 435 97 VAL CB C 32.336 0.09 1 1096 435 97 VAL CG1 C 21.030 0.00 2 1097 435 97 VAL N N 121.391 0.01 1 1098 436 98 ILE H H 8.122 0.00 1 1099 436 98 ILE HA H 4.155 0.00 1 1100 436 98 ILE HB H 1.872 0.00 1 1101 436 98 ILE HG12 H 1.188 0.00 2 1102 436 98 ILE HG13 H 1.461 0.00 2 1103 436 98 ILE HG2 H 0.886 0.00 1 1104 436 98 ILE HD1 H 0.822 0.00 1 1105 436 98 ILE C C 176.535 0.00 1 1106 436 98 ILE CA C 61.522 0.04 1 1107 436 98 ILE CB C 38.292 0.03 1 1108 436 98 ILE CG1 C 27.445 0.06 1 1109 436 98 ILE CG2 C 17.611 0.00 1 1110 436 98 ILE CD1 C 12.779 0.00 1 1111 436 98 ILE N N 123.025 0.05 1 1112 437 99 THR H H 8.034 0.00 1 1113 437 99 THR HA H 4.245 0.00 1 1114 437 99 THR HB H 4.186 0.00 1 1115 437 99 THR HG2 H 1.171 0.00 1 1116 437 99 THR C C 174.618 0.00 1 1117 437 99 THR CA C 62.397 0.04 1 1118 437 99 THR CB C 69.456 0.06 1 1119 437 99 THR N N 117.095 0.03 1 1120 438 100 GLN H H 8.205 0.00 1 1121 438 100 GLN HA H 4.313 0.00 1 1122 438 100 GLN HB2 H 2.059 0.00 2 1123 438 100 GLN HB3 H 2.059 0.00 2 1124 438 100 GLN HG2 H 2.340 0.00 2 1125 438 100 GLN HG3 H 2.340 0.00 2 1126 438 100 GLN C C 175.986 0.00 1 1127 438 100 GLN CA C 56.147 0.02 1 1128 438 100 GLN CB C 29.536 0.00 1 1129 438 100 GLN CG C 33.800 0.00 1 1130 438 100 GLN N N 122.227 0.02 1 1131 439 101 VAL H H 8.079 0.01 1 1132 439 101 VAL HA H 4.019 0.00 1 1133 439 101 VAL HB H 2.058 0.00 1 1134 439 101 VAL HG1 H 0.912 0.00 2 1135 439 101 VAL HG2 H 0.912 0.00 2 1136 439 101 VAL C C 176.278 0.00 1 1137 439 101 VAL CA C 62.818 0.00 1 1138 439 101 VAL CB C 32.427 0.02 1 1139 439 101 VAL CG1 C 20.804 0.00 2 1140 439 101 VAL N N 120.798 0.02 1 1141 440 102 LEU H H 8.231 0.00 1 1142 440 102 LEU HA H 4.298 0.01 1 1143 440 102 LEU HB2 H 1.646 0.00 2 1144 440 102 LEU HB3 H 1.521 0.00 2 1145 440 102 LEU HG H 1.601 0.00 1 1146 440 102 LEU HD1 H 0.946 0.00 2 1147 440 102 LEU HD2 H 0.824 0.00 2 1148 440 102 LEU C C 177.045 0.01 1 1149 440 102 LEU CA C 55.471 0.06 1 1150 440 102 LEU CB C 42.126 0.07 1 1151 440 102 LEU CG C 26.809 0.07 1 1152 440 102 LEU CD1 C 24.263 0.00 2 1153 440 102 LEU CD2 C 23.358 0.00 2 1154 440 102 LEU N N 124.523 0.01 1 1155 441 103 ASN H H 8.283 0.01 1 1156 441 103 ASN HA H 4.644 0.00 1 1157 441 103 ASN HB2 H 2.803 0.00 2 1158 441 103 ASN HB3 H 2.723 0.00 2 1159 441 103 ASN CB C 38.697 0.02 1 1160 441 103 ASN N N 118.790 0.04 1 1161 442 104 LYS HA H 4.265 0.00 1 1162 442 104 LYS HB2 H 1.811 0.00 2 1163 442 104 LYS HB3 H 1.700 0.00 2 1164 442 104 LYS HG2 H 1.383 0.00 2 1165 442 104 LYS HG3 H 1.383 0.00 2 1166 442 104 LYS HD2 H 1.650 0.00 2 1167 442 104 LYS HD3 H 1.650 0.00 2 1168 442 104 LYS HE2 H 2.971 0.00 2 1169 442 104 LYS HE3 H 2.971 0.00 2 1170 442 104 LYS CA C 56.175 0.03 1 1171 442 104 LYS CB C 32.941 0.00 1 1172 442 104 LYS CG C 24.724 0.01 1 1173 442 104 LYS CD C 28.977 0.09 1 1174 442 104 LYS CE C 42.080 0.04 1 1175 1370 105 ARG H H 8.263 0.00 1 1176 1370 105 ARG HA H 4.577 0.00 1 1177 1370 105 ARG HB2 H 1.824 0.00 2 1178 1370 105 ARG HB3 H 1.712 0.00 2 1179 1370 105 ARG HG2 H 1.652 0.00 2 1180 1370 105 ARG HG3 H 1.652 0.00 2 1181 1370 105 ARG HD2 H 3.189 0.00 2 1182 1370 105 ARG HD3 H 3.189 0.00 2 1183 1370 105 ARG C C 174.112 0.00 1 1184 1370 105 ARG CA C 53.980 0.05 1 1185 1370 105 ARG CB C 30.104 0.01 1 1186 1370 105 ARG CG C 26.886 0.02 1 1187 1370 105 ARG CD C 43.397 0.01 1 1188 1370 105 ARG N N 123.325 0.02 1 1189 1371 106 PRO HA H 4.379 0.00 1 1190 1371 106 PRO HB2 H 1.943 0.00 2 1191 1371 106 PRO HB3 H 1.943 0.00 2 1192 1371 106 PRO HG2 H 2.039 0.00 2 1193 1371 106 PRO HG3 H 2.039 0.00 2 1194 1371 106 PRO HD2 H 3.599 0.00 2 1195 1371 106 PRO HD3 H 3.599 0.00 2 1196 1371 106 PRO C C 177.122 0.00 1 1197 1371 106 PRO CA C 63.959 0.09 1 1198 1371 106 PRO CB C 31.902 0.00 1 1199 1371 106 PRO CG C 27.414 0.00 1 1200 1371 106 PRO CD C 50.684 0.06 1 1201 1372 107 ARG H H 8.426 0.00 1 1202 1372 107 ARG HA H 4.211 0.00 1 1203 1372 107 ARG HB2 H 1.900 0.00 2 1204 1372 107 ARG HB3 H 1.900 0.00 2 1205 1372 107 ARG C C 176.499 0.00 1 1206 1372 107 ARG CA C 57.017 0.00 1 1207 1372 107 ARG CB C 29.901 0.06 1 1208 1372 107 ARG N N 118.586 0.01 1 1209 1373 108 SER HA H 4.439 0.00 1 1210 1373 108 SER HB2 H 3.849 0.00 2 1211 1373 108 SER HB3 H 3.849 0.00 2 1212 1373 108 SER C C 174.020 0.00 1 1213 1373 108 SER CA C 58.330 0.00 1 1214 1373 108 SER CB C 63.744 0.00 1 1215 1374 109 SER H H 8.171 0.00 1 1216 1374 109 SER HA H 4.812 0.01 1 1217 1374 109 SER HB2 H 3.905 0.00 2 1218 1374 109 SER HB3 H 3.853 0.00 2 1219 1374 109 SER CA C 56.436 0.01 1 1220 1374 109 SER CB C 63.627 0.03 1 1221 1374 109 SER N N 118.151 0.02 1 1222 1375 110 PRO HA H 4.405 0.00 1 1223 1375 110 PRO HB2 H 2.276 0.00 2 1224 1375 110 PRO HB3 H 1.879 0.00 2 1225 1375 110 PRO HG2 H 2.000 0.00 2 1226 1375 110 PRO HG3 H 2.000 0.00 2 1227 1375 110 PRO HD2 H 3.798 0.00 2 1228 1375 110 PRO HD3 H 3.604 0.00 2 1229 1375 110 PRO C C 176.762 0.00 1 1230 1375 110 PRO CA C 63.003 0.01 1 1231 1375 110 PRO CB C 32.013 0.01 1 1232 1375 110 PRO CG C 27.433 0.01 1 1233 1375 110 PRO CD C 50.627 0.02 1 1234 1376 111 GLU H H 8.473 0.00 1 1235 1376 111 GLU HA H 4.190 0.00 1 1236 1376 111 GLU HB2 H 2.205 0.00 2 1237 1376 111 GLU HB3 H 2.205 0.00 2 1238 1376 111 GLU C C 176.454 0.01 1 1239 1376 111 GLU CA C 57.392 0.00 1 1240 1376 111 GLU CB C 30.234 0.00 1 1241 1376 111 GLU CG C 36.572 0.00 1 1242 1376 111 GLU N N 121.341 0.03 1 1243 1377 112 GLU H H 8.563 0.01 1 1244 1377 112 GLU HA H 4.307 0.00 1 1245 1377 112 GLU HB2 H 2.056 0.00 2 1246 1377 112 GLU HB3 H 1.959 0.00 2 1247 1377 112 GLU HG2 H 2.258 0.00 2 1248 1377 112 GLU HG3 H 2.258 0.00 2 1249 1377 112 GLU C C 176.273 0.00 1 1250 1377 112 GLU CA C 56.380 0.06 1 1251 1377 112 GLU CB C 30.541 0.09 1 1252 1377 112 GLU CG C 36.200 0.00 1 1253 1377 112 GLU N N 122.224 0.04 1 1254 1378 113 THR H H 8.119 0.00 1 1255 1378 113 THR HA H 4.322 0.00 1 1256 1378 113 THR HB H 4.134 0.00 1 1257 1378 113 THR HG2 H 1.151 0.00 1 1258 1378 113 THR C C 174.040 0.01 1 1259 1378 113 THR CA C 61.809 0.10 1 1260 1378 113 THR CB C 69.852 0.04 1 1261 1378 113 THR CG2 C 21.565 0.00 1 1262 1378 113 THR N N 116.059 0.01 1 1263 1379 114 ILE H H 8.158 0.00 1 1264 1379 114 ILE HA H 4.172 0.01 1 1265 1379 114 ILE HB H 1.801 0.00 1 1266 1379 114 ILE HG12 H 1.438 0.00 2 1267 1379 114 ILE HG13 H 1.139 0.00 2 1268 1379 114 ILE HG2 H 0.849 0.00 1 1269 1379 114 ILE HD1 H 0.798 0.00 1 1270 1379 114 ILE C C 175.585 0.01 1 1271 1379 114 ILE CA C 60.714 0.05 1 1272 1379 114 ILE CB C 38.817 0.02 1 1273 1379 114 ILE CG1 C 27.242 0.00 1 1274 1379 114 ILE CG2 C 17.457 0.00 1 1275 1379 114 ILE CD1 C 12.919 0.00 1 1276 1379 114 ILE N N 123.626 0.03 1 1277 1380 115 GLU H H 8.528 0.00 1 1278 1380 115 GLU HA H 4.565 0.00 1 1279 1380 115 GLU HB2 H 2.065 0.00 2 1280 1380 115 GLU HB3 H 1.893 0.00 2 1281 1380 115 GLU HG2 H 2.276 0.00 2 1282 1380 115 GLU HG3 H 2.276 0.00 2 1283 1380 115 GLU C C 174.841 0.00 1 1284 1380 115 GLU CA C 54.426 0.00 1 1285 1380 115 GLU CB C 29.515 0.02 1 1286 1380 115 GLU CG C 35.953 0.00 1 1287 1380 115 GLU N N 126.768 0.02 1 1288 1381 116 PRO HA H 4.316 0.00 1 1289 1381 116 PRO HB2 H 2.284 0.00 2 1290 1381 116 PRO HB3 H 1.917 0.00 2 1291 1381 116 PRO HG2 H 2.046 0.00 2 1292 1381 116 PRO HG3 H 1.986 0.01 2 1293 1381 116 PRO HD2 H 3.748 0.00 2 1294 1381 116 PRO HD3 H 3.827 0.00 2 1295 1381 116 PRO C C 177.385 0.00 1 1296 1381 116 PRO CA C 63.808 0.06 1 1297 1381 116 PRO CB C 32.008 0.02 1 1298 1381 116 PRO CG C 27.458 0.02 1 1299 1381 116 PRO CD C 50.682 0.02 1 1300 1382 117 GLU H H 8.704 0.00 1 1301 1382 117 GLU HA H 4.161 0.00 1 1302 1382 117 GLU HB2 H 2.014 0.00 2 1303 1382 117 GLU HB3 H 1.963 0.00 2 1304 1382 117 GLU HG2 H 2.267 0.00 2 1305 1382 117 GLU HG3 H 2.267 0.00 2 1306 1382 117 GLU C C 177.196 0.01 1 1307 1382 117 GLU CA C 57.626 0.01 1 1308 1382 117 GLU CB C 29.760 0.04 1 1309 1382 117 GLU CG C 36.430 0.00 1 1310 1382 117 GLU N N 120.051 0.02 1 1311 1383 118 SER H H 8.143 0.01 1 1312 1383 118 SER HA H 4.385 0.00 1 1313 1383 118 SER HB2 H 3.962 0.00 2 1314 1383 118 SER HB3 H 3.867 0.00 2 1315 1383 118 SER C C 175.695 0.00 1 1316 1383 118 SER CA C 59.023 0.02 1 1317 1383 118 SER CB C 63.633 0.05 1 1318 1383 118 SER N N 115.947 0.03 1 1319 1384 119 LEU H H 8.229 0.01 1 1320 1384 119 LEU HA H 4.040 0.00 1 1321 1384 119 LEU HB2 H 1.603 0.00 2 1322 1384 119 LEU HB3 H 1.381 0.00 2 1323 1384 119 LEU HG H 1.532 0.00 1 1324 1384 119 LEU HD1 H 0.748 0.00 2 1325 1384 119 LEU HD2 H 0.657 0.00 2 1326 1384 119 LEU C C 177.633 0.00 1 1327 1384 119 LEU CA C 56.599 0.06 1 1328 1384 119 LEU CB C 41.537 0.01 1 1329 1384 119 LEU CG C 26.865 0.00 1 1330 1384 119 LEU CD1 C 25.224 0.00 2 1331 1384 119 LEU CD2 C 23.668 0.00 2 1332 1384 119 LEU N N 123.594 0.02 1 1333 1385 120 HIS H H 8.035 0.00 1 1334 1385 120 HIS HA H 4.263 0.00 1 1335 1385 120 HIS HB2 H 3.133 0.00 2 1336 1385 120 HIS HB3 H 3.133 0.00 2 1337 1385 120 HIS HD2 H 7.019 0.00 1 1338 1385 120 HIS HE1 H 7.858 0.00 1 1339 1385 120 HIS C C 177.343 0.00 1 1340 1385 120 HIS CA C 59.210 0.05 1 1341 1385 120 HIS CB C 30.162 0.04 1 1342 1385 120 HIS CD2 C 119.605 0.00 1 1343 1385 120 HIS CE1 C 138.478 0.00 1 1344 1385 120 HIS N N 117.294 0.02 1 1345 1386 121 GLN H H 7.901 0.01 1 1346 1386 121 GLN HA H 4.018 0.00 1 1347 1386 121 GLN HB2 H 2.007 0.00 2 1348 1386 121 GLN HB3 H 2.007 0.00 2 1349 1386 121 GLN HG2 H 2.307 0.01 2 1350 1386 121 GLN HG3 H 2.307 0.01 2 1351 1386 121 GLN HE21 H 7.519 0.00 2 1352 1386 121 GLN HE22 H 6.818 0.00 2 1353 1386 121 GLN C C 177.614 0.00 1 1354 1386 121 GLN CA C 57.703 0.04 1 1355 1386 121 GLN CB C 28.452 0.00 1 1356 1386 121 GLN CG C 33.948 0.08 1 1357 1386 121 GLN N N 117.984 0.01 1 1358 1386 121 GLN NE2 N 111.988 0.03 1 1359 1387 122 LEU H H 7.699 0.00 1 1360 1387 122 LEU HA H 3.882 0.00 1 1361 1387 122 LEU HB2 H 1.198 0.00 2 1362 1387 122 LEU HB3 H 0.989 0.00 2 1363 1387 122 LEU HG H 1.118 0.00 1 1364 1387 122 LEU HD1 H 0.622 0.00 2 1365 1387 122 LEU HD2 H 0.460 0.00 2 1366 1387 122 LEU C C 178.015 0.01 1 1367 1387 122 LEU CA C 57.157 0.00 1 1368 1387 122 LEU CB C 41.832 0.08 1 1369 1387 122 LEU CG C 26.574 0.00 1 1370 1387 122 LEU CD1 C 24.779 0.00 2 1371 1387 122 LEU CD2 C 24.513 0.00 2 1372 1387 122 LEU N N 120.623 0.02 1 1373 1388 123 PHE H H 7.517 0.00 1 1374 1388 123 PHE HA H 4.931 0.00 1 1375 1388 123 PHE HB2 H 3.318 0.00 2 1376 1388 123 PHE HB3 H 2.775 0.00 2 1377 1388 123 PHE HD1 H 7.158 0.01 3 1378 1388 123 PHE HD2 H 7.158 0.01 3 1379 1388 123 PHE HE1 H 6.750 0.00 3 1380 1388 123 PHE HE2 H 6.750 0.00 3 1381 1388 123 PHE HZ H 6.703 0.00 1 1382 1388 123 PHE C C 175.889 0.00 1 1383 1388 123 PHE CA C 57.237 0.01 1 1384 1388 123 PHE CB C 39.297 0.03 1 1385 1388 123 PHE CD1 C 131.864 0.00 3 1386 1388 123 PHE CE1 C 130.680 0.00 3 1387 1388 123 PHE CZ C 128.581 0.00 1 1388 1388 123 PHE N N 114.845 0.02 1 1389 1389 124 GLU H H 7.561 0.00 1 1390 1389 124 GLU HA H 4.344 0.00 1 1391 1389 124 GLU HB2 H 2.042 0.00 2 1392 1389 124 GLU HB3 H 1.950 0.00 2 1393 1389 124 GLU HG2 H 2.266 0.00 2 1394 1389 124 GLU HG3 H 2.266 0.00 2 1395 1389 124 GLU C C 177.068 0.00 1 1396 1389 124 GLU CA C 56.673 0.00 1 1397 1389 124 GLU CB C 30.406 0.03 1 1398 1389 124 GLU N N 119.976 0.02 1 1399 1390 125 GLY C C 174.747 0.00 1 1400 1390 125 GLY CA C 45.724 0.00 1 1401 1391 126 GLU H H 8.410 0.00 1 1402 1391 126 GLU HA H 4.320 0.00 1 1403 1391 126 GLU C C 176.983 0.00 1 1404 1391 126 GLU CA C 56.417 0.07 1 1405 1391 126 GLU CB C 30.732 0.17 1 1406 1391 126 GLU N N 121.325 0.02 1 1407 1392 127 SER H H 8.122 0.00 1 1408 1392 127 SER N N 116.295 0.01 1 1409 1394 129 THR H H 8.150 0.01 1 1410 1394 129 THR HB H 4.264 0.00 1 1411 1394 129 THR HG2 H 1.164 0.00 1 1412 1394 129 THR C C 174.782 0.00 1 1413 1394 129 THR CA C 61.883 0.00 1 1414 1394 129 THR CB C 69.763 0.10 1 1415 1394 129 THR CG2 C 21.656 0.00 1 1416 1394 129 THR N N 116.278 0.02 1 1417 1395 130 GLU H H 8.179 0.00 1 1418 1395 130 GLU HA H 4.305 0.00 1 1419 1395 130 GLU C C 176.351 0.00 1 1420 1395 130 GLU CA C 56.871 0.05 1 1421 1395 130 GLU CB C 30.522 0.03 1 1422 1395 130 GLU CG C 36.244 0.00 1 1423 1395 130 GLU N N 123.879 0.04 1 1424 1396 131 SER H H 8.428 0.00 1 1425 1396 131 SER HA H 4.489 0.00 1 1426 1396 131 SER HB2 H 3.645 0.00 2 1427 1396 131 SER HB3 H 3.501 0.00 2 1428 1396 131 SER C C 180.028 0.00 1 1429 1396 131 SER CA C 59.040 0.03 1 1430 1396 131 SER CB C 64.729 0.04 1 1431 1396 131 SER N N 116.979 0.02 1 1432 1397 132 PHE H H 7.842 0.00 1 1433 1397 132 PHE HA H 4.671 0.00 1 1434 1397 132 PHE HB2 H 2.986 0.01 2 1435 1397 132 PHE HB3 H 2.333 0.01 2 1436 1397 132 PHE HD1 H 7.042 0.00 3 1437 1397 132 PHE HD2 H 7.042 0.00 3 1438 1397 132 PHE HE1 H 6.618 0.00 3 1439 1397 132 PHE HE2 H 6.618 0.00 3 1440 1397 132 PHE HZ H 5.151 0.00 1 1441 1397 132 PHE C C 174.332 0.01 1 1442 1397 132 PHE CA C 56.843 0.07 1 1443 1397 132 PHE CB C 42.364 0.05 1 1444 1397 132 PHE CD1 C 131.165 0.00 3 1445 1397 132 PHE CE1 C 131.122 0.01 3 1446 1397 132 PHE N N 124.234 0.03 1 1447 1398 133 TYR H H 8.368 0.00 1 1448 1398 133 TYR HA H 4.433 0.00 1 1449 1398 133 TYR HB2 H 3.166 0.00 2 1450 1398 133 TYR HB3 H 2.447 0.00 2 1451 1398 133 TYR HD1 H 6.974 0.00 3 1452 1398 133 TYR HD2 H 6.974 0.00 3 1453 1398 133 TYR HE1 H 6.701 0.00 3 1454 1398 133 TYR HE2 H 6.701 0.00 3 1455 1398 133 TYR C C 173.621 0.00 1 1456 1398 133 TYR CA C 58.109 0.00 1 1457 1398 133 TYR CB C 39.027 0.03 1 1458 1398 133 TYR CD1 C 132.928 0.00 3 1459 1398 133 TYR CE1 C 117.905 0.00 3 1460 1398 133 TYR N N 123.873 0.03 1 1461 1399 134 GLY HA2 H 4.354 0.00 2 1462 1399 134 GLY HA3 H 3.029 0.01 2 1463 1399 134 GLY C C 172.143 0.00 1 1464 1399 134 GLY CA C 43.587 0.06 1 1465 1400 135 PHE H H 8.893 0.00 1 1466 1400 135 PHE HA H 4.674 0.00 1 1467 1400 135 PHE HB2 H 3.355 0.00 2 1468 1400 135 PHE HB3 H 2.678 0.00 2 1469 1400 135 PHE HD1 H 7.545 0.00 3 1470 1400 135 PHE HD2 H 7.545 0.00 3 1471 1400 135 PHE HE1 H 7.237 0.00 3 1472 1400 135 PHE HE2 H 7.237 0.00 3 1473 1400 135 PHE HZ H 7.075 0.00 1 1474 1400 135 PHE C C 176.257 0.00 1 1475 1400 135 PHE CA C 59.028 0.06 1 1476 1400 135 PHE CB C 40.809 0.02 1 1477 1400 135 PHE CD1 C 132.972 0.00 3 1478 1400 135 PHE CE1 C 130.970 0.00 3 1479 1400 135 PHE CZ C 129.666 0.00 1 1480 1400 135 PHE N N 118.444 0.01 1 1481 1401 136 GLU H H 9.132 0.00 1 1482 1401 136 GLU HA H 4.444 0.00 1 1483 1401 136 GLU HB2 H 2.189 0.00 2 1484 1401 136 GLU HB3 H 1.946 0.00 2 1485 1401 136 GLU HG2 H 2.322 0.00 2 1486 1401 136 GLU HG3 H 2.247 0.00 2 1487 1401 136 GLU C C 176.511 0.01 1 1488 1401 136 GLU CA C 56.078 0.05 1 1489 1401 136 GLU CB C 30.931 0.03 1 1490 1401 136 GLU CG C 36.551 0.06 1 1491 1401 136 GLU N N 123.239 0.02 1 1492 1402 137 GLU H H 8.655 0.00 1 1493 1402 137 GLU HA H 4.215 0.00 1 1494 1402 137 GLU HB2 H 2.045 0.00 2 1495 1402 137 GLU HB3 H 1.956 0.00 2 1496 1402 137 GLU HG2 H 2.241 0.00 2 1497 1402 137 GLU HG3 H 2.241 0.00 2 1498 1402 137 GLU C C 176.004 0.00 1 1499 1402 137 GLU CA C 57.142 0.02 1 1500 1402 137 GLU CB C 30.426 0.00 1 1501 1402 137 GLU CG C 36.234 0.12 1 1502 1402 137 GLU N N 121.480 0.01 1 1503 1403 138 ALA H H 8.335 0.00 1 1504 1403 138 ALA HA H 4.333 0.00 1 1505 1403 138 ALA HB H 1.349 0.00 1 1506 1403 138 ALA C C 176.389 0.00 1 1507 1403 138 ALA CA C 52.161 0.03 1 1508 1403 138 ALA CB C 19.576 0.02 1 1509 1403 138 ALA N N 124.143 0.02 1 1510 1404 139 ASP H H 7.776 0.00 1 1511 1404 139 ASP HA H 4.325 0.00 1 1512 1404 139 ASP HB2 H 2.669 0.00 2 1513 1404 139 ASP HB3 H 2.591 0.01 2 1514 1404 139 ASP C C 172.505 0.00 1 1515 1404 139 ASP CA C 56.060 0.04 1 1516 1404 139 ASP CB C 42.316 0.03 1 1517 1404 139 ASP N N 125.105 0.01 1 stop_ save_