data_18097 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for primate innate immunity protein ; _BMRB_accession_number 18097 _BMRB_flat_file_name bmr18097.str _Entry_type original _Submission_date 2011-11-21 _Accession_date 2011-11-21 _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 Biris Nikolaos . . 2 Yang Yang . . 3 Taylor Alexander B. . 4 Tomashevski Andrei . . 5 Guo Miao . . 6 Hart P. John . 7 Diaz-Griffero Felipe . . 8 Ivanov Dmitri N. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 319 "13C chemical shifts" 326 "15N chemical shifts" 143 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-02-14 update BMRB 'update entry citation' 2012-08-06 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of the rhesus monkey TRIM5 PRYSPRY domain, the HIV capsid recognition module.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22847415 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Biris Nikolaos . . 2 Yang Yang . . 3 Taylor Alexander B. . 4 Tomashevski Andrei . . 5 Guo Miao . . 6 Hart 'P. John' . . 7 Diaz-Griffero Felipe . . 8 Ivanov Dmitri N. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 109 _Journal_issue 33 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 13278 _Page_last 13283 _Year 2012 _Details . loop_ _Keyword HIV SPRY trim5a 'Tripartite motif' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'rhesus SPRY domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'rhesus SPRY' $SPRY stop_ _System_molecular_weight 23342 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_SPRY _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SPRY _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 208 _Mol_residue_sequence ; GTELTDARRYWVDVTLATNN ISHAVIAEDKRQVSSRNPQI MYQAPGTLFTFPSLTNFNYC TGVLGSQSITSGKHYWEVDV SKKSAWILGVCAGFQSDAMY NIEQNENYQPKYGYWVIGLQ EGVKYSVFQDGSSHTPFAPF IVPLSVIICPDRVGVFVDYE ACTVSFFNITNHGFLIYKFS QCSFSKPVFPYLNPRKCTVP MTLCSPSS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 290 GLY 2 291 THR 3 292 GLU 4 293 LEU 5 294 THR 6 295 ASP 7 296 ALA 8 297 ARG 9 298 ARG 10 299 TYR 11 300 TRP 12 301 VAL 13 302 ASP 14 303 VAL 15 304 THR 16 305 LEU 17 306 ALA 18 307 THR 19 308 ASN 20 309 ASN 21 310 ILE 22 311 SER 23 312 HIS 24 313 ALA 25 314 VAL 26 315 ILE 27 316 ALA 28 317 GLU 29 318 ASP 30 319 LYS 31 320 ARG 32 321 GLN 33 322 VAL 34 323 SER 35 324 SER 36 325 ARG 37 326 ASN 38 327 PRO 39 328 GLN 40 329 ILE 41 330 MET 42 331 TYR 43 332 GLN 44 333 ALA 45 334 PRO 46 335 GLY 47 336 THR 48 337 LEU 49 338 PHE 50 339 THR 51 340 PHE 52 341 PRO 53 342 SER 54 343 LEU 55 344 THR 56 345 ASN 57 346 PHE 58 347 ASN 59 348 TYR 60 349 CYS 61 350 THR 62 351 GLY 63 352 VAL 64 353 LEU 65 354 GLY 66 355 SER 67 356 GLN 68 357 SER 69 358 ILE 70 359 THR 71 360 SER 72 361 GLY 73 362 LYS 74 363 HIS 75 364 TYR 76 365 TRP 77 366 GLU 78 367 VAL 79 368 ASP 80 369 VAL 81 370 SER 82 371 LYS 83 372 LYS 84 373 SER 85 374 ALA 86 375 TRP 87 376 ILE 88 377 LEU 89 378 GLY 90 379 VAL 91 380 CYS 92 381 ALA 93 382 GLY 94 383 PHE 95 384 GLN 96 385 SER 97 386 ASP 98 387 ALA 99 388 MET 100 389 TYR 101 390 ASN 102 391 ILE 103 392 GLU 104 393 GLN 105 394 ASN 106 395 GLU 107 396 ASN 108 397 TYR 109 398 GLN 110 399 PRO 111 400 LYS 112 401 TYR 113 402 GLY 114 403 TYR 115 404 TRP 116 405 VAL 117 406 ILE 118 407 GLY 119 408 LEU 120 409 GLN 121 410 GLU 122 411 GLY 123 412 VAL 124 413 LYS 125 414 TYR 126 415 SER 127 416 VAL 128 417 PHE 129 418 GLN 130 419 ASP 131 420 GLY 132 421 SER 133 422 SER 134 423 HIS 135 424 THR 136 425 PRO 137 426 PHE 138 427 ALA 139 428 PRO 140 429 PHE 141 430 ILE 142 431 VAL 143 432 PRO 144 433 LEU 145 434 SER 146 435 VAL 147 436 ILE 148 437 ILE 149 438 CYS 150 439 PRO 151 440 ASP 152 441 ARG 153 442 VAL 154 443 GLY 155 444 VAL 156 445 PHE 157 446 VAL 158 447 ASP 159 448 TYR 160 449 GLU 161 450 ALA 162 451 CYS 163 452 THR 164 453 VAL 165 454 SER 166 455 PHE 167 456 PHE 168 457 ASN 169 458 ILE 170 459 THR 171 460 ASN 172 461 HIS 173 462 GLY 174 463 PHE 175 464 LEU 176 465 ILE 177 466 TYR 178 467 LYS 179 468 PHE 180 469 SER 181 470 GLN 182 471 CYS 183 472 SER 184 473 PHE 185 474 SER 186 475 LYS 187 476 PRO 188 477 VAL 189 478 PHE 190 479 PRO 191 480 TYR 192 481 LEU 193 482 ASN 194 483 PRO 195 484 ARG 196 485 LYS 197 486 CYS 198 487 THR 199 488 VAL 200 489 PRO 201 490 MET 202 491 THR 203 492 LEU 204 493 CYS 205 494 SER 206 495 PRO 207 496 SER 208 497 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LM3 "Structure Of The Rhesus Monkey Trim5alpha Pryspry Domain" 100.00 208 100.00 100.00 1.72e-152 PDB 4B3N "Crystal Structure Of Rhesus Trim5alpha PrySPRY DOMAIN" 97.12 602 100.00 100.00 2.50e-145 GB AAS48505 "tripartite motif-containing 5 alpha isoform [Macaca mulatta]" 99.04 497 100.00 100.00 1.73e-150 GB AAT48102 "Trim5 alpha [Macaca mulatta]" 99.04 497 100.00 100.00 1.53e-150 GB AAV91976 "TRIM5alpha [Papio anubis]" 99.04 497 97.57 98.06 4.73e-146 GB AAW55814 "TRIM5, partial [Papio cynocephalus]" 94.71 197 96.95 97.97 1.28e-137 GB AAW55816 "TRIM5, partial [Theropithecus gelada]" 94.71 197 97.46 98.48 1.10e-138 REF NP_001028082 "tripartite motif-containing protein 5 [Macaca mulatta]" 99.04 497 100.00 100.00 1.73e-150 REF NP_001106102 "tripartite motif-containing protein 5 [Papio anubis]" 99.04 497 97.57 98.06 4.73e-146 REF NP_001292893 "tripartite motif containing 5 [Cercocebus atys]" 99.04 497 97.09 97.57 4.54e-145 REF XP_011827364 "PREDICTED: tripartite motif-containing protein 5 [Mandrillus leucophaeus]" 99.04 497 97.09 98.06 1.60e-145 REF XP_011900561 "PREDICTED: tripartite motif-containing protein 5 [Cercocebus atys]" 99.04 497 97.09 97.57 4.54e-145 SP Q0PF16 "RecName: Full=Tripartite motif-containing protein 5; AltName: Full=TRIM5alpha" 99.04 497 99.51 99.51 2.93e-149 SP Q2YEN2 "RecName: Full=Tripartite motif-containing protein 5; AltName: Full=TRIM5alpha" 99.04 497 99.03 99.51 1.03e-148 SP Q5D7J2 "RecName: Full=Tripartite motif-containing protein 5; AltName: Full=TRIM5alpha" 99.04 497 97.57 98.06 4.73e-146 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SPRY Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $SPRY 'recombinant technology' . Escherichia coli . 'pET 30a' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SPRY 250 mM '[U-98% 15N]' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SPRY 250 mM '[U-99% 13C; U-99% 15N]' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SPRY 250 mM '[U-13C; U-15N; U-2H]' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_3 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HN(COCA)CB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_3 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_3 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.05 . M pH 7.2 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCO' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HN(COCA)CB' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_3 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'rhesus SPRY' _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 1 292 3 GLU H H 8.831 0.020 1 2 292 3 GLU HA H 3.992 0.020 1 3 292 3 GLU C C 178.218 0.3 1 4 292 3 GLU CA C 58.828 0.3 1 5 292 3 GLU N N 122.345 0.3 1 6 293 4 LEU H H 7.976 0.020 1 7 293 4 LEU C C 177.175 0.3 1 8 293 4 LEU CA C 57.044 0.3 1 9 293 4 LEU N N 121.001 0.3 1 10 294 5 THR H H 7.535 0.020 1 11 294 5 THR HA H 3.916 0.020 1 12 294 5 THR C C 176.200 0.3 1 13 294 5 THR CA C 66.164 0.3 1 14 294 5 THR N N 113.069 0.3 1 15 295 6 ASP H H 7.530 0.020 1 16 295 6 ASP HA H 4.085 0.020 1 17 295 6 ASP C C 177.314 0.3 1 18 295 6 ASP CA C 56.808 0.3 1 19 295 6 ASP N N 119.926 0.3 1 20 296 7 ALA H H 7.227 0.020 1 21 296 7 ALA HA H 4.109 0.020 1 22 296 7 ALA C C 178.659 0.3 1 23 296 7 ALA CA C 54.655 0.3 1 24 296 7 ALA N N 121.726 0.3 1 25 297 8 ARG H H 7.370 0.020 1 26 297 8 ARG C C 178.033 0.3 1 27 297 8 ARG CA C 58.424 0.3 1 28 297 8 ARG N N 112.468 0.3 1 29 298 9 ARG H H 7.059 0.020 1 30 298 9 ARG HA H 3.832 0.020 1 31 298 9 ARG C C 176.827 0.3 1 32 298 9 ARG CA C 58.289 0.3 1 33 298 9 ARG N N 118.926 0.3 1 34 299 10 TYR H H 7.800 0.020 1 35 299 10 TYR HA H 4.853 0.020 1 36 299 10 TYR C C 174.832 0.3 1 37 299 10 TYR CA C 56.943 0.3 1 38 299 10 TYR N N 118.201 0.3 1 39 300 11 TRP H H 7.122 0.020 1 40 300 11 TRP HA H 4.577 0.020 1 41 300 11 TRP C C 177.082 0.3 1 42 300 11 TRP CA C 58.558 0.3 1 43 300 11 TRP N N 123.427 0.3 1 44 302 13 ASP H H 8.496 0.020 1 45 302 13 ASP HA H 4.605 0.020 1 46 302 13 ASP C C 174.786 0.3 1 47 302 13 ASP CA C 53.005 0.3 1 48 302 13 ASP N N 122.160 0.3 1 49 303 14 VAL H H 7.877 0.020 1 50 303 14 VAL HA H 4.096 0.020 1 51 303 14 VAL C C 174.670 0.3 1 52 303 14 VAL CA C 62.429 0.3 1 53 303 14 VAL N N 126.934 0.3 1 54 304 15 THR H H 8.321 0.020 1 55 304 15 THR HA H 4.536 0.020 1 56 304 15 THR C C 173.951 0.3 1 57 304 15 THR CA C 58.592 0.3 1 58 304 15 THR N N 114.829 0.3 1 59 305 16 LEU H H 8.967 0.020 1 60 305 16 LEU HA H 4.322 0.020 1 61 305 16 LEU C C 175.876 0.3 1 62 305 16 LEU CA C 54.526 0.3 1 63 305 16 LEU N N 121.392 0.3 1 64 306 17 ALA H H 8.409 0.020 1 65 306 17 ALA HA H 4.385 0.020 1 66 306 17 ALA C C 177.360 0.3 1 67 306 17 ALA CA C 50.515 0.3 1 68 306 17 ALA N N 124.039 0.3 1 69 307 18 THR H H 8.146 0.020 1 70 307 18 THR HA H 4.398 0.020 1 71 307 18 THR C C 174.206 0.3 1 72 307 18 THR CA C 61.722 0.3 1 73 307 18 THR N N 114.041 0.3 1 74 308 19 ASN H H 8.470 0.020 1 75 308 19 ASN HA H 4.687 0.020 1 76 308 19 ASN C C 174.577 0.3 1 77 308 19 ASN CA C 52.871 0.3 1 78 308 19 ASN N N 119.841 0.3 1 79 327 38 PRO HA H 4.207 0.020 1 80 327 38 PRO HB2 H 2.036 0.020 2 81 327 38 PRO HB3 H 1.958 0.020 2 82 327 38 PRO HG2 H 1.735 0.020 1 83 327 38 PRO HG3 H 1.735 0.020 1 84 327 38 PRO HD2 H 3.638 0.020 1 85 327 38 PRO HD3 H 3.638 0.020 1 86 327 38 PRO C C 176.641 0.3 1 87 327 38 PRO CA C 63.443 0.3 1 88 327 38 PRO CB C 31.714 0.3 1 89 327 38 PRO CG C 26.649 0.3 1 90 328 39 GLN H H 8.139 0.020 1 91 328 39 GLN HA H 4.111 0.020 1 92 328 39 GLN HB2 H 1.979 0.020 2 93 328 39 GLN HB3 H 1.836 0.020 2 94 328 39 GLN HG2 H 2.209 0.020 1 95 328 39 GLN HG3 H 2.209 0.020 1 96 328 39 GLN C C 175.853 0.3 1 97 328 39 GLN CA C 56.136 0.3 1 98 328 39 GLN CB C 28.981 0.3 1 99 328 39 GLN CG C 33.996 0.3 1 100 328 39 GLN N N 118.424 0.3 1 101 329 40 ILE H H 7.688 0.020 1 102 329 40 ILE HA H 3.998 0.020 1 103 329 40 ILE HB H 1.709 0.020 1 104 329 40 ILE HG12 H 1.286 0.020 1 105 329 40 ILE HG2 H 0.989 0.020 1 106 329 40 ILE HD1 H 0.653 0.020 1 107 329 40 ILE C C 175.690 0.3 1 108 329 40 ILE CA C 60.601 0.3 1 109 329 40 ILE CB C 38.274 0.3 1 110 329 40 ILE CG1 C 27.041 0.3 1 111 329 40 ILE CG2 C 17.676 0.3 1 112 329 40 ILE CD1 C 12.645 0.3 1 113 329 40 ILE N N 119.966 0.3 1 114 330 41 MET H H 8.044 0.020 1 115 330 41 MET HA H 4.286 0.020 1 116 330 41 MET HB2 H 1.769 0.020 1 117 330 41 MET HB3 H 1.769 0.020 1 118 330 41 MET HG2 H 2.237 0.020 1 119 330 41 MET HG3 H 2.237 0.020 1 120 330 41 MET HE H 1.840 0.020 1 121 330 41 MET C C 175.389 0.3 1 122 330 41 MET CA C 55.046 0.3 1 123 330 41 MET CB C 32.499 0.3 1 124 330 41 MET CG C 31.730 0.3 1 125 330 41 MET CE C 16.586 0.3 1 126 330 41 MET N N 123.189 0.3 1 127 331 42 TYR H H 8.024 0.020 1 128 331 42 TYR HA H 4.398 0.020 1 129 331 42 TYR HB2 H 2.794 0.020 1 130 331 42 TYR HB3 H 2.794 0.020 1 131 331 42 TYR HD1 H 6.918 0.020 1 132 331 42 TYR HD2 H 6.918 0.020 1 133 331 42 TYR C C 174.879 0.3 1 134 331 42 TYR CA C 57.599 0.3 1 135 331 42 TYR CB C 38.825 0.3 1 136 331 42 TYR N N 121.297 0.3 1 137 332 43 GLN H H 7.894 0.020 1 138 332 43 GLN HA H 4.148 0.020 1 139 332 43 GLN HB2 H 1.844 0.020 2 140 332 43 GLN HB3 H 1.707 0.020 2 141 332 43 GLN HG2 H 2.075 0.020 1 142 332 43 GLN HG3 H 2.075 0.020 1 143 332 43 GLN C C 174.345 0.3 1 144 332 43 GLN CA C 54.714 0.3 1 145 332 43 GLN CB C 29.741 0.3 1 146 332 43 GLN CG C 33.461 0.3 1 147 332 43 GLN N N 122.431 0.3 1 148 333 44 ALA H H 8.141 0.020 1 149 333 44 ALA HA H 4.367 0.020 1 150 333 44 ALA HB H 1.229 0.020 1 151 333 44 ALA C C 175.459 0.3 1 152 333 44 ALA CA C 50.358 0.3 1 153 333 44 ALA CB C 17.603 0.3 1 154 333 44 ALA N N 126.670 0.3 1 155 334 45 PRO HA H 4.273 0.020 1 156 334 45 PRO HB2 H 2.129 0.020 2 157 334 45 PRO HB3 H 1.804 0.020 2 158 334 45 PRO HG2 H 1.979 0.020 2 159 334 45 PRO HG3 H 1.921 0.020 2 160 334 45 PRO HD2 H 3.725 0.020 2 161 334 45 PRO HD3 H 3.551 0.020 2 162 334 45 PRO CA C 63.318 0.3 1 163 334 45 PRO CB C 31.697 0.3 1 164 334 45 PRO CG C 27.238 0.3 1 165 334 45 PRO CD C 50.280 0.3 1 166 335 46 GLY H H 8.478 0.020 1 167 335 46 GLY HA2 H 3.965 0.020 2 168 335 46 GLY HA3 H 3.758 0.020 2 169 335 46 GLY C C 174.322 0.3 1 170 335 46 GLY CA C 45.255 0.3 1 171 335 46 GLY N N 109.630 0.3 1 172 336 47 THR H H 7.734 0.020 1 173 336 47 THR HA H 4.210 0.020 1 174 336 47 THR HB H 4.036 0.020 1 175 336 47 THR HG2 H 0.998 0.020 1 176 336 47 THR C C 174.067 0.3 1 177 336 47 THR CA C 61.547 0.3 1 178 336 47 THR CB C 69.516 0.3 1 179 336 47 THR CG2 C 21.160 0.3 1 180 336 47 THR N N 113.015 0.3 1 181 337 48 LEU H H 8.087 0.020 1 182 337 48 LEU HA H 4.152 0.020 1 183 337 48 LEU HB2 H 1.381 0.020 2 184 337 48 LEU HB3 H 1.312 0.020 2 185 337 48 LEU HG H 1.391 0.020 1 186 337 48 LEU HD1 H 0.672 0.020 2 187 337 48 LEU HD2 H 0.672 0.020 2 188 337 48 LEU C C 176.618 0.3 1 189 337 48 LEU CA C 55.025 0.3 1 190 337 48 LEU CB C 42.098 0.3 1 191 337 48 LEU CG C 26.810 0.3 1 192 337 48 LEU CD1 C 23.398 0.3 1 193 337 48 LEU CD2 C 23.134 0.3 1 194 337 48 LEU N N 123.635 0.3 1 195 338 49 PHE H H 8.017 0.020 1 196 338 49 PHE HA H 4.496 0.020 1 197 338 49 PHE HB2 H 2.911 0.020 2 198 338 49 PHE HB3 H 2.814 0.020 2 199 338 49 PHE HD1 H 7.028 0.020 1 200 338 49 PHE HD2 H 7.028 0.020 1 201 338 49 PHE C C 175.227 0.3 1 202 338 49 PHE CA C 57.234 0.3 1 203 338 49 PHE CB C 39.290 0.3 1 204 338 49 PHE N N 120.255 0.3 1 205 339 50 THR H H 7.741 0.020 1 206 339 50 THR HA H 4.137 0.020 1 207 339 50 THR HB H 3.906 0.020 1 208 339 50 THR HG2 H 0.936 0.020 1 209 339 50 THR C C 173.255 0.3 1 210 339 50 THR CA C 61.244 0.3 1 211 339 50 THR CB C 69.643 0.3 1 212 339 50 THR CG2 C 21.204 0.3 1 213 339 50 THR N N 115.141 0.3 1 214 340 51 PHE H H 7.996 0.020 1 215 340 51 PHE HA H 4.571 0.020 1 216 340 51 PHE HB2 H 2.992 0.020 1 217 340 51 PHE HB3 H 2.992 0.020 1 218 340 51 PHE HD1 H 6.794 0.020 1 219 340 51 PHE HD2 H 6.794 0.020 1 220 340 51 PHE HE1 H 7.110 0.020 1 221 340 51 PHE HE2 H 7.110 0.020 1 222 340 51 PHE C C 173.858 0.3 1 223 340 51 PHE CA C 56.874 0.3 1 224 340 51 PHE CB C 39.250 0.3 1 225 340 51 PHE N N 122.603 0.3 1 226 341 52 PRO HA H 4.278 0.020 1 227 341 52 PRO HB2 H 2.050 0.020 2 228 341 52 PRO HB3 H 1.780 0.020 2 229 341 52 PRO HG2 H 1.839 0.020 1 230 341 52 PRO HG3 H 1.839 0.020 1 231 341 52 PRO HD2 H 3.638 0.020 2 232 341 52 PRO HD3 H 3.427 0.020 2 233 341 52 PRO CA C 63.297 0.3 1 234 341 52 PRO CB C 31.190 0.3 1 235 341 52 PRO CG C 26.750 0.3 1 236 341 52 PRO CD C 50.279 0.3 1 237 342 53 SER H H 8.119 0.020 1 238 342 53 SER HA H 4.334 0.020 1 239 342 53 SER HB2 H 3.780 0.020 2 240 342 53 SER HB3 H 3.727 0.020 2 241 342 53 SER C C 174.508 0.3 1 242 342 53 SER CA C 58.019 0.3 1 243 342 53 SER CB C 63.587 0.3 1 244 342 53 SER N N 114.918 0.3 1 245 343 54 LEU H H 8.180 0.020 1 246 343 54 LEU HA H 4.307 0.020 1 247 343 54 LEU HB2 H 1.558 0.020 2 248 343 54 LEU HB3 H 1.505 0.020 2 249 343 54 LEU HG H 1.508 0.020 1 250 343 54 LEU HD1 H 0.750 0.020 2 251 343 54 LEU HD2 H 0.708 0.020 2 252 343 54 LEU C C 177.314 0.3 1 253 343 54 LEU CA C 55.224 0.3 1 254 343 54 LEU CB C 41.934 0.3 1 255 343 54 LEU CG C 26.860 0.3 1 256 343 54 LEU CD1 C 24.867 0.3 1 257 343 54 LEU CD2 C 23.088 0.3 1 258 343 54 LEU N N 123.426 0.3 1 259 344 55 THR H H 7.911 0.020 1 260 344 55 THR HA H 4.144 0.020 1 261 344 55 THR HB H 4.019 0.020 1 262 344 55 THR HG2 H 0.984 0.020 1 263 344 55 THR C C 173.928 0.3 1 264 344 55 THR CA C 61.565 0.3 1 265 344 55 THR CB C 69.396 0.3 1 266 344 55 THR CG2 C 21.020 0.3 1 267 344 55 THR N N 112.921 0.3 1 268 345 56 ASN H H 8.097 0.020 1 269 345 56 ASN HA H 4.482 0.020 1 270 345 56 ASN HB2 H 2.610 0.020 2 271 345 56 ASN HB3 H 2.529 0.020 2 272 345 56 ASN C C 174.137 0.3 1 273 345 56 ASN CA C 52.938 0.3 1 274 345 56 ASN CB C 38.110 0.3 1 275 345 56 ASN N N 119.978 0.3 1 276 346 57 PHE H H 7.919 0.020 1 277 346 57 PHE HA H 4.482 0.020 1 278 346 57 PHE HB3 H 2.809 0.020 1 279 346 57 PHE HD1 H 6.959 0.020 1 280 346 57 PHE HD2 H 6.959 0.020 1 281 346 57 PHE C C 174.693 0.3 1 282 346 57 PHE CA C 57.381 0.3 1 283 346 57 PHE CB C 39.313 0.3 1 284 346 57 PHE N N 120.030 0.3 1 285 347 58 ASN H H 7.656 0.020 1 286 347 58 ASN CA C 57.145 0.3 1 287 347 58 ASN N N 125.759 0.3 1 288 353 64 LEU H H 8.518 0.020 1 289 353 64 LEU HA H 4.398 0.020 1 290 353 64 LEU C C 178.380 0.3 1 291 353 64 LEU CA C 51.933 0.3 1 292 353 64 LEU N N 120.532 0.3 1 293 354 65 GLY H H 8.051 0.020 1 294 354 65 GLY C C 172.884 0.3 1 295 354 65 GLY CA C 44.491 0.3 1 296 354 65 GLY N N 102.514 0.3 1 297 355 66 SER H H 8.724 0.020 1 298 355 66 SER HA H 4.015 0.020 1 299 355 66 SER C C 174.276 0.3 1 300 355 66 SER CA C 59.770 0.3 1 301 355 66 SER N N 113.869 0.3 1 302 356 67 GLN H H 7.995 0.020 1 303 356 67 GLN HA H 4.474 0.020 1 304 356 67 GLN C C 173.905 0.3 1 305 356 67 GLN CA C 54.655 0.3 1 306 356 67 GLN N N 121.985 0.3 1 307 357 68 SER H H 8.145 0.020 1 308 357 68 SER HA H 4.852 0.020 1 309 357 68 SER C C 173.835 0.3 1 310 357 68 SER CA C 56.472 0.3 1 311 357 68 SER N N 118.695 0.3 1 312 358 69 ILE H H 8.813 0.020 1 313 358 69 ILE C C 175.018 0.3 1 314 358 69 ILE CA C 60.780 0.3 1 315 358 69 ILE N N 123.370 0.3 1 316 359 70 THR H H 8.250 0.020 1 317 359 70 THR HA H 3.967 0.020 1 318 359 70 THR C C 172.026 0.3 1 319 359 70 THR CA C 59.366 0.3 1 320 359 70 THR N N 113.324 0.3 1 321 360 71 SER H H 6.964 0.020 1 322 360 71 SER HA H 4.085 0.020 1 323 360 71 SER C C 173.835 0.3 1 324 360 71 SER CA C 57.818 0.3 1 325 360 71 SER N N 111.494 0.3 1 326 361 72 GLY H H 10.408 0.020 1 327 361 72 GLY HA2 H 3.995 0.020 2 328 361 72 GLY HA3 H 3.840 0.020 2 329 361 72 GLY C C 171.400 0.3 1 330 361 72 GLY CA C 45.265 0.3 1 331 361 72 GLY N N 112.909 0.3 1 332 362 73 LYS H H 7.310 0.020 1 333 362 73 LYS C C 175.366 0.3 1 334 362 73 LYS CA C 54.621 0.3 1 335 362 73 LYS N N 118.005 0.3 1 336 363 74 HIS H H 8.399 0.020 1 337 363 74 HIS HA H 4.880 0.020 1 338 363 74 HIS C C 172.467 0.3 1 339 363 74 HIS CA C 56.371 0.3 1 340 363 74 HIS N N 118.405 0.3 1 341 364 75 TYR H H 8.153 0.020 1 342 364 75 TYR C C 172.852 0.3 1 343 364 75 TYR CA C 55.361 0.3 1 344 364 75 TYR N N 125.182 0.3 1 345 365 76 TRP H H 7.621 0.020 1 346 365 76 TRP C C 171.510 0.3 1 347 365 76 TRP CA C 57.549 0.3 1 348 365 76 TRP N N 123.210 0.3 1 349 367 78 VAL H H 8.910 0.020 1 350 367 78 VAL HA H 4.756 0.020 1 351 367 78 VAL C C 174.461 0.3 1 352 367 78 VAL CA C 60.208 0.3 1 353 367 78 VAL N N 122.416 0.3 1 354 368 79 ASP H H 9.795 0.020 1 355 368 79 ASP C C 175.343 0.3 1 356 368 79 ASP CA C 53.914 0.3 1 357 368 79 ASP N N 128.257 0.3 1 358 369 80 VAL H H 8.394 0.020 1 359 369 80 VAL C C 176.131 0.3 1 360 369 80 VAL CA C 59.027 0.3 1 361 369 80 VAL N N 118.519 0.3 1 362 370 81 SER H H 8.754 0.020 1 363 370 81 SER C C 174.829 0.3 1 364 370 81 SER CA C 61.285 0.3 1 365 370 81 SER N N 123.584 0.3 1 366 371 82 LYS H H 8.789 0.020 1 367 371 82 LYS C C 175.922 0.3 1 368 371 82 LYS CA C 58.222 0.3 1 369 371 82 LYS N N 115.025 0.3 1 370 372 83 LYS H H 7.825 0.020 1 371 372 83 LYS C C 177.824 0.3 1 372 372 83 LYS CA C 57.784 0.3 1 373 372 83 LYS N N 117.904 0.3 1 374 373 84 SER H H 9.839 0.020 1 375 373 84 SER HA H 4.348 0.020 1 376 373 84 SER C C 172.270 0.3 1 377 373 84 SER CA C 58.996 0.3 1 378 373 84 SER N N 122.569 0.3 1 379 374 85 ALA H H 7.130 0.020 1 380 374 85 ALA C C 174.253 0.3 1 381 374 85 ALA CA C 51.020 0.3 1 382 374 85 ALA N N 120.821 0.3 1 383 375 86 TRP H H 7.876 0.020 1 384 375 86 TRP C C 176.096 0.3 1 385 375 86 TRP CA C 56.909 0.3 1 386 375 86 TRP N N 109.378 0.3 1 387 376 87 ILE H H 9.270 0.020 1 388 376 87 ILE C C 175.405 0.3 1 389 376 87 ILE CA C 60.679 0.3 1 390 376 87 ILE N N 118.409 0.3 1 391 377 88 LEU H H 9.422 0.020 1 392 377 88 LEU C C 174.967 0.3 1 393 377 88 LEU CA C 54.520 0.3 1 394 377 88 LEU N N 122.952 0.3 1 395 378 89 GLY H H 8.366 0.020 1 396 378 89 GLY C C 171.976 0.3 1 397 378 89 GLY CA C 47.251 0.3 1 398 378 89 GLY N N 103.446 0.3 1 399 379 90 VAL H H 9.224 0.020 1 400 379 90 VAL HA H 4.164 0.020 1 401 379 90 VAL C C 172.847 0.3 1 402 379 90 VAL CA C 60.477 0.3 1 403 379 90 VAL N N 130.348 0.3 1 404 380 91 CYS H H 9.398 0.020 1 405 380 91 CYS C C 173.630 0.3 1 406 380 91 CYS CA C 55.429 0.3 1 407 380 91 CYS N N 122.658 0.3 1 408 381 92 ALA H H 9.478 0.020 1 409 381 92 ALA HA H 5.049 0.020 1 410 381 92 ALA C C 176.479 0.3 1 411 381 92 ALA CA C 52.400 0.3 1 412 381 92 ALA N N 127.998 0.3 1 413 382 93 GLY H H 8.194 0.020 1 414 382 93 GLY C C 173.580 0.3 1 415 382 93 GLY CA C 43.212 0.3 1 416 382 93 GLY N N 108.533 0.3 1 417 383 94 PHE H H 8.290 0.020 1 418 383 94 PHE HA H 4.536 0.020 1 419 383 94 PHE C C 178.079 0.3 1 420 383 94 PHE CA C 56.627 0.3 1 421 383 94 PHE N N 116.476 0.3 1 422 394 105 ASN H H 6.912 0.020 1 423 394 105 ASN HA H 4.715 0.020 1 424 394 105 ASN C C 173.835 0.3 1 425 394 105 ASN CA C 51.929 0.3 1 426 394 105 ASN N N 112.033 0.3 1 427 395 106 GLU H H 7.354 0.020 1 428 395 106 GLU C C 175.574 0.3 1 429 395 106 GLU CA C 56.808 0.3 1 430 395 106 GLU N N 117.585 0.3 1 431 396 107 ASN H H 8.082 0.020 1 432 396 107 ASN HA H 4.536 0.020 1 433 396 107 ASN C C 173.441 0.3 1 434 396 107 ASN CA C 50.448 0.3 1 435 396 107 ASN N N 118.664 0.3 1 436 397 108 TYR H H 6.101 0.020 1 437 397 108 TYR HA H 4.605 0.020 1 438 397 108 TYR C C 173.186 0.3 1 439 397 108 TYR CA C 55.530 0.3 1 440 397 108 TYR N N 117.301 0.3 1 441 398 109 GLN H H 6.115 0.020 1 442 398 109 GLN C C 175.064 0.3 1 443 398 109 GLN CA C 53.241 0.3 1 444 398 109 GLN N N 114.934 0.3 1 445 400 111 LYS H H 10.775 0.020 1 446 400 111 LYS HA H 4.068 0.020 1 447 400 111 LYS C C 177.244 0.3 1 448 400 111 LYS CA C 58.289 0.3 1 449 400 111 LYS N N 120.723 0.3 1 450 401 112 TYR H H 7.647 0.020 1 451 401 112 TYR HA H 3.612 0.020 1 452 401 112 TYR C C 175.853 0.3 1 453 401 112 TYR CA C 53.847 0.3 1 454 401 112 TYR N N 120.182 0.3 1 455 402 113 GLY H H 8.057 0.020 1 456 402 113 GLY HA2 H 3.768 0.020 2 457 402 113 GLY HA3 H 3.055 0.020 2 458 402 113 GLY C C 171.679 0.3 1 459 402 113 GLY CA C 45.972 0.3 1 460 402 113 GLY N N 107.764 0.3 1 461 403 114 TYR H H 6.585 0.020 1 462 403 114 TYR C C 173.013 0.3 1 463 403 114 TYR CA C 57.515 0.3 1 464 403 114 TYR N N 115.659 0.3 1 465 404 115 TRP H H 8.420 0.020 1 466 404 115 TRP C C 175.405 0.3 1 467 404 115 TRP CA C 57.650 0.3 1 468 404 115 TRP N N 125.437 0.3 1 469 405 116 VAL H H 9.825 0.020 1 470 405 116 VAL C C 174.368 0.3 1 471 405 116 VAL CA C 58.525 0.3 1 472 405 116 VAL N N 116.317 0.3 1 473 406 117 ILE H H 8.268 0.020 1 474 406 117 ILE C C 174.879 0.3 1 475 406 117 ILE CA C 58.929 0.3 1 476 406 117 ILE N N 110.464 0.3 1 477 407 118 GLY H H 9.115 0.020 1 478 407 118 GLY HA2 H 3.700 0.020 1 479 407 118 GLY HA3 H 3.700 0.020 1 480 407 118 GLY C C 169.418 0.3 1 481 407 118 GLY CA C 45.770 0.3 1 482 407 118 GLY N N 105.424 0.3 1 483 408 119 LEU H H 7.892 0.020 1 484 408 119 LEU C C 176.224 0.3 1 485 408 119 LEU CA C 52.265 0.3 1 486 408 119 LEU N N 118.628 0.3 1 487 409 120 GLN H H 8.375 0.020 1 488 409 120 GLN HA H 4.233 0.020 1 489 409 120 GLN C C 173.000 0.3 1 490 409 120 GLN CA C 54.284 0.3 1 491 409 120 GLN N N 123.541 0.3 1 492 410 121 GLU H H 8.864 0.020 1 493 410 121 GLU C C 176.800 0.3 1 494 410 121 GLU CA C 56.809 0.3 1 495 410 121 GLU N N 117.179 0.3 1 496 414 125 TYR H H 9.145 0.020 1 497 414 125 TYR HA H 5.192 0.020 1 498 414 125 TYR C C 176.827 0.3 1 499 414 125 TYR CA C 57.212 0.3 1 500 414 125 TYR N N 128.783 0.3 1 501 415 126 SER H H 9.192 0.020 1 502 415 126 SER HA H 5.049 0.020 1 503 415 126 SER C C 170.913 0.3 1 504 415 126 SER CA C 57.482 0.3 1 505 415 126 SER N N 117.388 0.3 1 506 416 127 VAL H H 8.761 0.020 1 507 416 127 VAL C C 172.653 0.3 1 508 416 127 VAL CA C 59.703 0.3 1 509 416 127 VAL N N 119.557 0.3 1 510 417 128 PHE H H 7.150 0.020 1 511 417 128 PHE HA H 4.267 0.020 1 512 417 128 PHE C C 174.925 0.3 1 513 417 128 PHE CA C 58.458 0.3 1 514 417 128 PHE N N 127.341 0.3 1 515 418 129 GLN H H 8.693 0.020 1 516 418 129 GLN HA H 4.125 0.020 1 517 418 129 GLN C C 176.038 0.3 1 518 418 129 GLN CA C 53.679 0.3 1 519 418 129 GLN N N 122.834 0.3 1 520 419 130 ASP H H 8.425 0.020 1 521 419 130 ASP HA H 4.964 0.020 1 522 419 130 ASP C C 178.218 0.3 1 523 419 130 ASP CA C 54.991 0.3 1 524 419 130 ASP N N 119.994 0.3 1 525 420 131 GLY H H 8.112 0.020 1 526 420 131 GLY HA2 H 4.033 0.020 2 527 420 131 GLY HA3 H 3.763 0.020 2 528 420 131 GLY C C 174.415 0.3 1 529 420 131 GLY CA C 44.735 0.3 1 530 420 131 GLY N N 107.499 0.3 1 531 421 132 SER H H 8.016 0.020 1 532 421 132 SER C C 176.177 0.3 1 533 421 132 SER CA C 57.515 0.3 1 534 421 132 SER N N 115.128 0.3 1 535 426 137 PHE H H 7.817 0.020 1 536 426 137 PHE HA H 4.525 0.020 1 537 426 137 PHE C C 173.511 0.3 1 538 426 137 PHE CA C 56.707 0.3 1 539 426 137 PHE N N 115.968 0.3 1 540 427 138 ALA H H 7.451 0.020 1 541 427 138 ALA HA H 4.219 0.020 1 542 427 138 ALA C C 173.835 0.3 1 543 427 138 ALA CA C 48.933 0.3 1 544 427 138 ALA N N 124.435 0.3 1 545 429 140 PHE H H 8.009 0.020 1 546 429 140 PHE HA H 4.795 0.020 1 547 429 140 PHE C C 173.232 0.3 1 548 429 140 PHE CA C 55.556 0.3 1 549 429 140 PHE N N 122.819 0.3 1 550 430 141 ILE H H 8.069 0.020 1 551 430 141 ILE HA H 3.992 0.020 1 552 430 141 ILE C C 175.459 0.3 1 553 430 141 ILE CA C 60.443 0.3 1 554 430 141 ILE N N 127.916 0.3 1 555 431 142 VAL H H 8.332 0.020 1 556 431 142 VAL HA H 4.261 0.020 1 557 431 142 VAL C C 173.580 0.3 1 558 431 142 VAL CA C 58.828 0.3 1 559 431 142 VAL N N 131.283 0.3 1 560 434 145 SER H H 8.546 0.020 1 561 434 145 SER C C 174.529 0.3 1 562 434 145 SER N N 121.965 0.3 1 563 438 149 CYS H H 8.557 0.020 1 564 438 149 CYS C C 173.441 0.3 1 565 438 149 CYS CA C 58.256 0.3 1 566 438 149 CYS N N 126.863 0.3 1 567 440 151 ASP H H 9.027 0.020 1 568 440 151 ASP HA H 4.550 0.020 1 569 440 151 ASP C C 175.505 0.3 1 570 440 151 ASP CA C 55.227 0.3 1 571 440 151 ASP N N 123.283 0.3 1 572 441 152 ARG H H 6.962 0.020 1 573 441 152 ARG HA H 4.316 0.020 1 574 441 152 ARG C C 173.858 0.3 1 575 441 152 ARG CA C 54.486 0.3 1 576 441 152 ARG N N 116.407 0.3 1 577 442 153 VAL H H 8.689 0.020 1 578 442 153 VAL C C 174.967 0.3 1 579 442 153 VAL CA C 60.174 0.3 1 580 442 153 VAL N N 123.155 0.3 1 581 443 154 GLY H H 9.100 0.020 1 582 443 154 GLY HA2 H 3.600 0.020 1 583 443 154 GLY HA3 H 3.600 0.020 1 584 443 154 GLY C C 171.584 0.3 1 585 443 154 GLY CA C 44.827 0.3 1 586 443 154 GLY N N 114.213 0.3 1 587 444 155 VAL H H 8.485 0.020 1 588 444 155 VAL HA H 4.123 0.020 1 589 444 155 VAL C C 171.856 0.3 1 590 444 155 VAL CA C 60.712 0.3 1 591 444 155 VAL N N 126.435 0.3 1 592 445 156 PHE H H 8.441 0.020 1 593 445 156 PHE HA H 4.580 0.020 1 594 445 156 PHE C C 174.598 0.3 1 595 445 156 PHE CA C 53.174 0.3 1 596 445 156 PHE N N 122.110 0.3 1 597 446 157 VAL H H 9.139 0.020 1 598 446 157 VAL HA H 4.275 0.020 1 599 446 157 VAL C C 172.086 0.3 1 600 446 157 VAL CA C 59.837 0.3 1 601 446 157 VAL N N 130.057 0.3 1 602 447 158 ASP H H 7.608 0.020 1 603 447 158 ASP HA H 4.491 0.020 1 604 447 158 ASP C C 176.456 0.3 1 605 447 158 ASP CA C 51.794 0.3 1 606 447 158 ASP N N 124.791 0.3 1 607 448 159 TYR H H 8.778 0.020 1 608 448 159 TYR HA H 3.793 0.020 1 609 448 159 TYR C C 177.894 0.3 1 610 448 159 TYR CA C 61.688 0.3 1 611 448 159 TYR N N 125.168 0.3 1 612 449 160 GLU H H 8.003 0.020 1 613 449 160 GLU HA H 3.967 0.020 1 614 449 160 GLU C C 178.520 0.3 1 615 449 160 GLU CA C 60.578 0.3 1 616 449 160 GLU N N 116.788 0.3 1 617 450 161 ALA H H 7.695 0.020 1 618 450 161 ALA HA H 4.026 0.020 1 619 450 161 ALA C C 176.664 0.3 1 620 450 161 ALA CA C 51.895 0.3 1 621 450 161 ALA N N 119.184 0.3 1 622 451 162 CYS H H 7.880 0.020 1 623 451 162 CYS C C 173.047 0.3 1 624 451 162 CYS CA C 59.063 0.3 1 625 451 162 CYS N N 112.485 0.3 1 626 452 163 THR H H 7.623 0.020 1 627 452 163 THR C C 173.335 0.3 1 628 452 163 THR CA C 58.727 0.3 1 629 452 163 THR N N 106.985 0.3 1 630 453 164 VAL H H 7.900 0.020 1 631 453 164 VAL C C 174.741 0.3 1 632 453 164 VAL CA C 61.756 0.3 1 633 453 164 VAL N N 119.085 0.3 1 634 454 165 SER H H 9.034 0.020 1 635 454 165 SER C C 170.888 0.3 1 636 454 165 SER CA C 57.482 0.3 1 637 454 165 SER N N 121.792 0.3 1 638 455 166 PHE H H 8.076 0.020 1 639 455 166 PHE C C 175.064 0.3 1 640 455 166 PHE CA C 55.361 0.3 1 641 455 166 PHE N N 117.889 0.3 1 642 456 167 PHE H H 10.023 0.020 1 643 456 167 PHE C C 175.018 0.3 1 644 456 167 PHE CA C 56.808 0.3 1 645 456 167 PHE N N 121.297 0.3 1 646 457 168 ASN H H 9.646 0.020 1 647 457 168 ASN HA H 4.591 0.020 1 648 457 168 ASN C C 175.157 0.3 1 649 457 168 ASN CA C 51.659 0.3 1 650 457 168 ASN N N 120.535 0.3 1 651 458 169 ILE H H 7.792 0.020 1 652 458 169 ILE C C 176.548 0.3 1 653 458 169 ILE CA C 62.698 0.3 1 654 458 169 ILE N N 124.615 0.3 1 655 459 170 THR H H 7.382 0.020 1 656 459 170 THR HA H 4.004 0.020 1 657 459 170 THR C C 173.719 0.3 1 658 459 170 THR CA C 64.549 0.3 1 659 459 170 THR N N 114.704 0.3 1 660 460 171 ASN H H 7.079 0.020 1 661 460 171 ASN HA H 4.770 0.020 1 662 460 171 ASN C C 173.835 0.3 1 663 460 171 ASN CA C 49.674 0.3 1 664 460 171 ASN N N 119.172 0.3 1 665 461 172 HIS H H 7.350 0.020 1 666 461 172 HIS HA H 3.942 0.020 1 667 461 172 HIS C C 174.114 0.3 1 668 461 172 HIS CA C 57.313 0.3 1 669 461 172 HIS N N 111.334 0.3 1 670 462 173 GLY H H 7.818 0.020 1 671 462 173 GLY HA2 H 3.840 0.020 1 672 462 173 GLY HA3 H 3.840 0.020 1 673 462 173 GLY C C 173.603 0.3 1 674 462 173 GLY CA C 47.486 0.3 1 675 462 173 GLY N N 105.400 0.3 1 676 463 174 PHE H H 7.626 0.020 1 677 463 174 PHE HA H 4.423 0.020 1 678 463 174 PHE C C 176.502 0.3 1 679 463 174 PHE CA C 57.549 0.3 1 680 463 174 PHE N N 120.249 0.3 1 681 464 175 LEU H H 8.561 0.020 1 682 464 175 LEU C C 176.780 0.3 1 683 464 175 LEU CA C 56.068 0.3 1 684 464 175 LEU N N 125.969 0.3 1 685 465 176 ILE H H 9.330 0.020 1 686 465 176 ILE C C 175.528 0.3 1 687 465 176 ILE CA C 63.169 0.3 1 688 465 176 ILE N N 126.876 0.3 1 689 466 177 TYR H H 7.212 0.020 1 690 466 177 TYR HA H 4.068 0.020 1 691 466 177 TYR C C 171.006 0.3 1 692 466 177 TYR CA C 59.097 0.3 1 693 466 177 TYR N N 115.047 0.3 1 694 467 178 LYS H H 6.811 0.020 1 695 467 178 LYS C C 175.273 0.3 1 696 467 178 LYS CA C 54.520 0.3 1 697 467 178 LYS N N 127.911 0.3 1 698 468 179 PHE H H 9.651 0.020 1 699 468 179 PHE HA H 4.632 0.020 1 700 468 179 PHE C C 175.336 0.3 1 701 468 179 PHE CA C 58.289 0.3 1 702 468 179 PHE N N 126.383 0.3 1 703 469 180 SER H H 8.485 0.020 1 704 469 180 SER HA H 4.837 0.020 1 705 469 180 SER C C 172.861 0.3 1 706 469 180 SER CA C 56.707 0.3 1 707 469 180 SER N N 115.506 0.3 1 708 470 181 GLN H H 9.298 0.020 1 709 470 181 GLN HA H 3.629 0.020 1 710 470 181 GLN C C 176.015 0.3 1 711 470 181 GLN CA C 56.472 0.3 1 712 470 181 GLN N N 117.133 0.3 1 713 471 182 CYS H H 7.876 0.020 1 714 471 182 CYS C C 175.899 0.3 1 715 471 182 CYS CA C 60.039 0.3 1 716 471 182 CYS N N 116.032 0.3 1 717 472 183 SER H H 8.561 0.020 1 718 472 183 SER HA H 4.194 0.020 1 719 472 183 SER C C 174.392 0.3 1 720 472 183 SER CA C 56.337 0.3 1 721 472 183 SER N N 118.074 0.3 1 722 473 184 PHE H H 7.275 0.020 1 723 473 184 PHE HA H 4.825 0.020 1 724 473 184 PHE C C 175.157 0.3 1 725 473 184 PHE CA C 52.534 0.3 1 726 473 184 PHE N N 125.605 0.3 1 727 477 188 VAL H H 7.959 0.020 1 728 477 188 VAL C C 173.279 0.3 1 729 477 188 VAL CA C 58.626 0.3 1 730 477 188 VAL N N 111.123 0.3 1 731 478 189 PHE H H 8.774 0.020 1 732 478 189 PHE CA C 54.957 0.3 1 733 478 189 PHE N N 114.592 0.3 1 734 480 191 TYR H H 8.356 0.020 1 735 480 191 TYR HA H 5.142 0.020 1 736 480 191 TYR C C 174.693 0.3 1 737 480 191 TYR CA C 57.078 0.3 1 738 480 191 TYR N N 121.836 0.3 1 739 481 192 LEU H H 8.261 0.020 1 740 481 192 LEU HA H 4.605 0.020 1 741 481 192 LEU C C 174.137 0.3 1 742 481 192 LEU CA C 55.563 0.3 1 743 481 192 LEU N N 129.065 0.3 1 744 482 193 ASN H H 8.007 0.020 1 745 482 193 ASN CA C 49.505 0.3 1 746 482 193 ASN N N 114.217 0.3 1 747 487 198 THR H H 8.265 0.020 1 748 487 198 THR HA H 4.044 0.020 1 749 487 198 THR C C 174.206 0.3 1 750 487 198 THR CA C 63.203 0.3 1 751 487 198 THR N N 121.563 0.3 1 752 488 199 VAL H H 8.737 0.020 1 753 488 199 VAL C C 174.832 0.3 1 754 488 199 VAL CA C 61.419 0.3 1 755 488 199 VAL N N 129.507 0.3 1 756 490 201 MET H H 8.545 0.020 1 757 490 201 MET HA H 5.073 0.020 1 758 490 201 MET C C 175.180 0.3 1 759 490 201 MET CA C 53.712 0.3 1 760 490 201 MET N N 116.897 0.3 1 761 491 202 THR H H 8.312 0.020 1 762 491 202 THR HA H 4.977 0.020 1 763 491 202 THR C C 173.981 0.3 1 764 491 202 THR CA C 62.058 0.3 1 765 491 202 THR N N 117.791 0.3 1 766 492 203 LEU H H 9.048 0.020 1 767 492 203 LEU HA H 4.756 0.020 1 768 492 203 LEU C C 176.131 0.3 1 769 492 203 LEU CA C 55.294 0.3 1 770 492 203 LEU N N 129.237 0.3 1 771 493 204 CYS H H 8.609 0.020 1 772 493 204 CYS HA H 4.577 0.020 1 773 493 204 CYS C C 174.531 0.3 1 774 493 204 CYS CA C 58.188 0.3 1 775 493 204 CYS N N 122.012 0.3 1 776 494 205 SER H H 8.665 0.020 1 777 494 205 SER C C 171.632 0.3 1 778 494 205 SER CA C 56.909 0.3 1 779 494 205 SER N N 120.249 0.3 1 780 496 207 SER H H 7.052 0.020 1 781 496 207 SER HA H 4.161 0.020 1 782 496 207 SER C C 173.279 0.3 1 783 496 207 SER CA C 57.751 0.3 1 784 496 207 SER N N 115.376 0.3 1 785 497 208 SER H H 7.725 0.020 1 786 497 208 SER C C 178.543 0.3 1 787 497 208 SER CA C 59.871 0.3 1 788 497 208 SER N N 122.837 0.3 1 stop_ save_