data_6295 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Structure of the Flavin Domain from Soluble Methane Monooxygenase Reductase from Methylococcus capsulatus (Bath) ; _BMRB_accession_number 6295 _BMRB_flat_file_name bmr6295.str _Entry_type original _Submission_date 2004-08-25 _Accession_date 2004-08-25 _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 Chatwood Lisa L. . 2 Mueller Jens . . 3 Gross John D. . 4 Wagner Gerhard . . 5 Lippard Stephen J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1120 "13C chemical shifts" 935 "15N chemical shifts" 247 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-07-11 update BMRB 'Updating non-standard residue' 2008-03-24 update BMRB . 2004-09-10 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR structure of the flavin domain from soluble methane monooxygenase reductase from Methylococcus capsulatus (Bath) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15379538 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chatwood Lisa L. . 2 Mueller Jens . . 3 Gross John D. . 4 Wagner Gerhard . . 5 Lippard Stephen J. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 43 _Journal_issue 38 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11983 _Page_last 11991 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_MMOR-FAD _Saveframe_category molecular_system _Mol_system_name 'flavin domain of methane monooxygenase reductase' _Abbreviation_common MMOR-FAD _Enzyme_commission_number 1.14.13.25 loop_ _Mol_system_component_name _Mol_label MMOR-FAD $MMOR-FAD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function oxidoreductase stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MMOR-FAD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Flavin domain of methane monooxygenase reductase' _Name_variant 'Flavin domain of methane monooxygenase component C' _Abbreviation_common MMOR-FAD _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 252 _Mol_residue_sequence ; MCRISFGEVGSFEAEVVGLN WVSSNTVQFLLQKRPDECGN RGVKFEPGQFMDLTIPGTDV SRSYSPANLPNPEGRLEFLI RVLPEGRFSDYLRNDARVGQ VLSVKGPLGVFGLKERGMAP RYFVAGGTGLAPVVSMVRQM QEWTAPNETRIYFGVNTEPE LFYIDELKSLERSMRNLTVK ACVWHPSGDWEGEQGSPIDA LREDLESSDANPDIYLCGPP GMIDAACELVRSRGIPGEQV FFEKFLPSGAAX ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 251 MET 2 252 CYS 3 253 ARG 4 254 ILE 5 255 SER 6 256 PHE 7 257 GLY 8 258 GLU 9 259 VAL 10 260 GLY 11 261 SER 12 262 PHE 13 263 GLU 14 264 ALA 15 265 GLU 16 266 VAL 17 267 VAL 18 268 GLY 19 269 LEU 20 270 ASN 21 271 TRP 22 272 VAL 23 273 SER 24 274 SER 25 275 ASN 26 276 THR 27 277 VAL 28 278 GLN 29 279 PHE 30 280 LEU 31 281 LEU 32 282 GLN 33 283 LYS 34 284 ARG 35 285 PRO 36 286 ASP 37 287 GLU 38 288 CYS 39 289 GLY 40 290 ASN 41 291 ARG 42 292 GLY 43 293 VAL 44 294 LYS 45 295 PHE 46 296 GLU 47 297 PRO 48 298 GLY 49 299 GLN 50 300 PHE 51 301 MET 52 302 ASP 53 303 LEU 54 304 THR 55 305 ILE 56 306 PRO 57 307 GLY 58 308 THR 59 309 ASP 60 310 VAL 61 311 SER 62 312 ARG 63 313 SER 64 314 TYR 65 315 SER 66 316 PRO 67 317 ALA 68 318 ASN 69 319 LEU 70 320 PRO 71 321 ASN 72 322 PRO 73 323 GLU 74 324 GLY 75 325 ARG 76 326 LEU 77 327 GLU 78 328 PHE 79 329 LEU 80 330 ILE 81 331 ARG 82 332 VAL 83 333 LEU 84 334 PRO 85 335 GLU 86 336 GLY 87 337 ARG 88 338 PHE 89 339 SER 90 340 ASP 91 341 TYR 92 342 LEU 93 343 ARG 94 344 ASN 95 345 ASP 96 346 ALA 97 347 ARG 98 348 VAL 99 349 GLY 100 350 GLN 101 351 VAL 102 352 LEU 103 353 SER 104 354 VAL 105 355 LYS 106 356 GLY 107 357 PRO 108 358 LEU 109 359 GLY 110 360 VAL 111 361 PHE 112 362 GLY 113 363 LEU 114 364 LYS 115 365 GLU 116 366 ARG 117 367 GLY 118 368 MET 119 369 ALA 120 370 PRO 121 371 ARG 122 372 TYR 123 373 PHE 124 374 VAL 125 375 ALA 126 376 GLY 127 377 GLY 128 378 THR 129 379 GLY 130 380 LEU 131 381 ALA 132 382 PRO 133 383 VAL 134 384 VAL 135 385 SER 136 386 MET 137 387 VAL 138 388 ARG 139 389 GLN 140 390 MET 141 391 GLN 142 392 GLU 143 393 TRP 144 394 THR 145 395 ALA 146 396 PRO 147 397 ASN 148 398 GLU 149 399 THR 150 400 ARG 151 401 ILE 152 402 TYR 153 403 PHE 154 404 GLY 155 405 VAL 156 406 ASN 157 407 THR 158 408 GLU 159 409 PRO 160 410 GLU 161 411 LEU 162 412 PHE 163 413 TYR 164 414 ILE 165 415 ASP 166 416 GLU 167 417 LEU 168 418 LYS 169 419 SER 170 420 LEU 171 421 GLU 172 422 ARG 173 423 SER 174 424 MET 175 425 ARG 176 426 ASN 177 427 LEU 178 428 THR 179 429 VAL 180 430 LYS 181 431 ALA 182 432 CYS 183 433 VAL 184 434 TRP 185 435 HIS 186 436 PRO 187 437 SER 188 438 GLY 189 439 ASP 190 440 TRP 191 441 GLU 192 442 GLY 193 443 GLU 194 444 GLN 195 445 GLY 196 446 SER 197 447 PRO 198 448 ILE 199 449 ASP 200 450 ALA 201 451 LEU 202 452 ARG 203 453 GLU 204 454 ASP 205 455 LEU 206 456 GLU 207 457 SER 208 458 SER 209 459 ASP 210 460 ALA 211 461 ASN 212 462 PRO 213 463 ASP 214 464 ILE 215 465 TYR 216 466 LEU 217 467 CYS 218 468 GLY 219 469 PRO 220 470 PRO 221 471 GLY 222 472 MET 223 473 ILE 224 474 ASP 225 475 ALA 226 476 ALA 227 477 CYS 228 478 GLU 229 479 LEU 230 480 VAL 231 481 ARG 232 482 SER 233 483 ARG 234 484 GLY 235 485 ILE 236 486 PRO 237 487 GLY 238 488 GLU 239 489 GLN 240 490 VAL 241 491 PHE 242 492 PHE 243 493 GLU 244 494 LYS 245 495 PHE 246 496 LEU 247 497 PRO 248 498 SER 249 499 GLY 250 500 ALA 251 501 ALA 252 502 FDA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1TVC "Fad And Nadh Binding Domain Of Methane Monooxygenase Reductase From Methylococcus Capsulatus (Bath)" 99.21 250 100.00 100.00 0.00e+00 GB AAB62391 "methane monooxygenase component C [Methylococcus capsulatus]" 99.21 348 100.00 100.00 0.00e+00 GB AAU92722 "methane monooxygenase, C subunit [Methylococcus capsulatus str. Bath]" 99.21 348 100.00 100.00 0.00e+00 REF WP_010960487 "methane monooxygenase [Methylococcus capsulatus]" 99.21 348 100.00 100.00 0.00e+00 REF YP_113665 "methane monooxygenase subunit C [Methylococcus capsulatus str. Bath]" 99.21 348 100.00 100.00 0.00e+00 SP P22868 "RecName: Full=Methane monooxygenase component C; AltName: Full=Methane hydroxylase; AltName: Full=Methane monooxygenase reducta" 99.21 348 100.00 100.00 0.00e+00 stop_ save_ ###################### # Polymer residues # ###################### save_chem_comp_FDA _Saveframe_category polymer_residue _Mol_type non-polymer _Name_common 'DIHYDROFLAVINE-ADENINE DINUCLEOTIDE' _BMRB_code . _PDB_code FDA _Standard_residue_derivative . _Molecular_mass 787.566 _Mol_paramagnetic . _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Aug 1 11:14:41 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O5B O5B O . 0 . ? C5B C5B C . 0 . ? C4B C4B C . 0 . ? O4B O4B O . 0 . ? C3B C3B C . 0 . ? O3B O3B O . 0 . ? C2B C2B C . 0 . ? O2B O2B O . 0 . ? C1B C1B C . 0 . ? N9A N9A N . 0 . ? C8A C8A C . 0 . ? N7A N7A N . 0 . ? C5A C5A C . 0 . ? C6A C6A C . 0 . ? N6A N6A N . 0 . ? N1A N1A N . 0 . ? C2A C2A C . 0 . ? N3A N3A N . 0 . ? C4A C4A C . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? O2 O2 O . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? O4 O4 O . 0 . ? C4X C4X C . 0 . ? N5 N5 N . 0 . ? C5X C5X C . 0 . ? C6 C6 C . 0 . ? C7 C7 C . 0 . ? C7M C7M C . 0 . ? C8 C8 C . 0 . ? C8M C8M C . 0 . ? C9 C9 C . 0 . ? C9A C9A C . 0 . ? N10 N10 N . 0 . ? C10 C10 C . 0 . ? C1' C1' C . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C5' C5' C . 0 . ? O5' O5' O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? HOA2 HOA2 H . 0 . ? H51A H51A H . 0 . ? H52A H52A H . 0 . ? H4B H4B H . 0 . ? H3B H3B H . 0 . ? HO3A HO3A H . 0 . ? H2B H2B H . 0 . ? HO2A HO2A H . 0 . ? H1B H1B H . 0 . ? H8A H8A H . 0 . ? H61A H61A H . 0 . ? H62A H62A H . 0 . ? H2A H2A H . 0 . ? HN1 HN1 H . 0 . ? HN3 HN3 H . 0 . ? HN5 HN5 H . 0 . ? H6 H6 H . 0 . ? HM71 HM71 H . 0 . ? HM72 HM72 H . 0 . ? HM73 HM73 H . 0 . ? HM81 HM81 H . 0 . ? HM82 HM82 H . 0 . ? HM83 HM83 H . 0 . ? H9 H9 H . 0 . ? H1'1 H1'1 H . 0 . ? H1'2 H1'2 H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H4' H4' H . 0 . ? HO4' HO4' H . 0 . ? H5'1 H5'1 H . 0 . ? H5'2 H5'2 H . 0 . ? HOP2 HOP2 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB PA O1A ? ? SING PA O2A ? ? SING PA O5B ? ? SING PA O3P ? ? SING O2A HOA2 ? ? SING O5B C5B ? ? SING C5B C4B ? ? SING C5B H51A ? ? SING C5B H52A ? ? SING C4B O4B ? ? SING C4B C3B ? ? SING C4B H4B ? ? SING O4B C1B ? ? SING C3B O3B ? ? SING C3B C2B ? ? SING C3B H3B ? ? SING O3B HO3A ? ? SING C2B O2B ? ? SING C2B C1B ? ? SING C2B H2B ? ? SING O2B HO2A ? ? SING C1B N9A ? ? SING C1B H1B ? ? SING N9A C8A ? ? SING N9A C4A ? ? DOUB C8A N7A ? ? SING C8A H8A ? ? SING N7A C5A ? ? SING C5A C6A ? ? DOUB C5A C4A ? ? SING C6A N6A ? ? DOUB C6A N1A ? ? SING N6A H61A ? ? SING N6A H62A ? ? SING N1A C2A ? ? DOUB C2A N3A ? ? SING C2A H2A ? ? SING N3A C4A ? ? SING N1 C2 ? ? SING N1 C10 ? ? SING N1 HN1 ? ? DOUB C2 O2 ? ? SING C2 N3 ? ? SING N3 C4 ? ? SING N3 HN3 ? ? DOUB C4 O4 ? ? SING C4 C4X ? ? SING C4X N5 ? ? DOUB C4X C10 ? ? SING N5 C5X ? ? SING N5 HN5 ? ? DOUB C5X C6 ? ? SING C5X C9A ? ? SING C6 C7 ? ? SING C6 H6 ? ? SING C7 C7M ? ? DOUB C7 C8 ? ? SING C7M HM71 ? ? SING C7M HM72 ? ? SING C7M HM73 ? ? SING C8 C8M ? ? SING C8 C9 ? ? SING C8M HM81 ? ? SING C8M HM82 ? ? SING C8M HM83 ? ? DOUB C9 C9A ? ? SING C9 H9 ? ? SING C9A N10 ? ? SING N10 C10 ? ? SING N10 C1' ? ? SING C1' C2' ? ? SING C1' H1'1 ? ? SING C1' H1'2 ? ? SING C2' O2' ? ? SING C2' C3' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C3' O3' ? ? SING C3' C4' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C4' O4' ? ? SING C4' C5' ? ? SING C4' H4' ? ? SING O4' HO4' ? ? SING C5' O5' ? ? SING C5' H5'1 ? ? SING C5' H5'2 ? ? SING O5' P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Gene_mnemonic $MMOR-FAD 'Methylococcus capsulatus' 414 Eubacteria . Methylococcus capsulatus Bath mmoC stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Cell_line _Vector_name $MMOR-FAD 'recombinant technology' 'E. coli' Escherichia coli . BL21(DE3) pFAD21 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $MMOR-FAD . mM 0.6 1.0 '[U-13C; U-15N; U-2H]' 'phosphate buffer' 50 mM . . . DTT 1 mM . . . NaN3 0.1 % . . . 'Pefabloc protease inhibitor' 2 mM . . . NADH 3 mM . . . Na2S2O4 30 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 97.0 loop_ _Task processing stop_ _Details MSI save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 loop_ _Task 'data analysis' stop_ _Details . save_ save_PROSA _Saveframe_category software _Name PROSA _Version 6.0 loop_ _Task processing stop_ _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task 'structure solution' stop_ _Details Guentert save_ save_XPLOR _Saveframe_category software _Name XPLOR _Version 3.84 loop_ _Task refinement stop_ _Details . save_ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.5 loop_ _Task collection stop_ _Details Bruker save_ save_VNMR _Saveframe_category software _Name VNMR _Version 5.1a loop_ _Task collection stop_ _Details Varian save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UNITY-INOVA _Field_strength 750 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label $Sample_1 save_ save_13C_HMQC-NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HMQC-NOESY' _Sample_label $Sample_1 save_ save_13C_NOESY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY-HSQC' _Sample_label $Sample_1 save_ save_15N_NOESY-HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY-HSQC' _Sample_label $Sample_1 save_ save_15N_TOCSY-HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '15N TOCSY-HSQC' _Sample_label $Sample_1 save_ save_HC(CO)NH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH-TOCSY _Sample_label $Sample_1 save_ save_H(CCO)NH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH-TOCSY _Sample_label $Sample_1 save_ save_HN(COCA)CB-TROSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)CB-TROSY _Sample_label $Sample_1 save_ save_HN(CA)CB-TROSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CB-TROSY _Sample_label $Sample_1 save_ save_HN(CA)CO-TROSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO-TROSY _Sample_label $Sample_1 save_ save_HNCO-TROSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO-TROSY _Sample_label $Sample_1 save_ save_HN(CO)CA-TROSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA-TROSY _Sample_label $Sample_1 save_ save_HNCA-TROSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA-TROSY _Sample_label $Sample_1 save_ save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details ; Cryoprobe was used for Bruker DRX 500. Long and short mixing time 15N NOESY-HSQC experiments were used to collect long-range distance constraints using 15N labeled, perdeuterated protein with protonated Trp and Tyr or Phe residues. The 13C HMQC-NOESY experiments were done using ILV-methyl labeled protein. ; save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA-TROSY _BMRB_pulse_sequence_accession_number . _Details ; Cryoprobe was used for Bruker DRX 500. Long and short mixing time 15N NOESY-HSQC experiments were used to collect long-range distance constraints using 15N labeled, perdeuterated protein with protonated Trp and Tyr or Phe residues. The 13C HMQC-NOESY experiments were done using ILV-methyl labeled protein. ; save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA-TROSY _BMRB_pulse_sequence_accession_number . _Details ; Cryoprobe was used for Bruker DRX 500. Long and short mixing time 15N NOESY-HSQC experiments were used to collect long-range distance constraints using 15N labeled, perdeuterated protein with protonated Trp and Tyr or Phe residues. The 13C HMQC-NOESY experiments were done using ILV-methyl labeled protein. ; save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO-TROSY _BMRB_pulse_sequence_accession_number . _Details ; Cryoprobe was used for Bruker DRX 500. Long and short mixing time 15N NOESY-HSQC experiments were used to collect long-range distance constraints using 15N labeled, perdeuterated protein with protonated Trp and Tyr or Phe residues. The 13C HMQC-NOESY experiments were done using ILV-methyl labeled protein. ; save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO-TROSY _BMRB_pulse_sequence_accession_number . _Details ; Cryoprobe was used for Bruker DRX 500. Long and short mixing time 15N NOESY-HSQC experiments were used to collect long-range distance constraints using 15N labeled, perdeuterated protein with protonated Trp and Tyr or Phe residues. The 13C HMQC-NOESY experiments were done using ILV-methyl labeled protein. ; save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CB-TROSY _BMRB_pulse_sequence_accession_number . _Details ; Cryoprobe was used for Bruker DRX 500. Long and short mixing time 15N NOESY-HSQC experiments were used to collect long-range distance constraints using 15N labeled, perdeuterated protein with protonated Trp and Tyr or Phe residues. The 13C HMQC-NOESY experiments were done using ILV-methyl labeled protein. ; save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)CB-TROSY _BMRB_pulse_sequence_accession_number . _Details ; Cryoprobe was used for Bruker DRX 500. Long and short mixing time 15N NOESY-HSQC experiments were used to collect long-range distance constraints using 15N labeled, perdeuterated protein with protonated Trp and Tyr or Phe residues. The 13C HMQC-NOESY experiments were done using ILV-methyl labeled protein. ; save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name H(CCO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details ; Cryoprobe was used for Bruker DRX 500. Long and short mixing time 15N NOESY-HSQC experiments were used to collect long-range distance constraints using 15N labeled, perdeuterated protein with protonated Trp and Tyr or Phe residues. The 13C HMQC-NOESY experiments were done using ILV-methyl labeled protein. ; save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH-TOCSY _BMRB_pulse_sequence_accession_number . _Details ; Cryoprobe was used for Bruker DRX 500. Long and short mixing time 15N NOESY-HSQC experiments were used to collect long-range distance constraints using 15N labeled, perdeuterated protein with protonated Trp and Tyr or Phe residues. The 13C HMQC-NOESY experiments were done using ILV-methyl labeled protein. ; save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '15N TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details ; Cryoprobe was used for Bruker DRX 500. Long and short mixing time 15N NOESY-HSQC experiments were used to collect long-range distance constraints using 15N labeled, perdeuterated protein with protonated Trp and Tyr or Phe residues. The 13C HMQC-NOESY experiments were done using ILV-methyl labeled protein. ; save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details ; Cryoprobe was used for Bruker DRX 500. Long and short mixing time 15N NOESY-HSQC experiments were used to collect long-range distance constraints using 15N labeled, perdeuterated protein with protonated Trp and Tyr or Phe residues. The 13C HMQC-NOESY experiments were done using ILV-methyl labeled protein. ; save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '13C NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details ; Cryoprobe was used for Bruker DRX 500. Long and short mixing time 15N NOESY-HSQC experiments were used to collect long-range distance constraints using 15N labeled, perdeuterated protein with protonated Trp and Tyr or Phe residues. The 13C HMQC-NOESY experiments were done using ILV-methyl labeled protein. ; save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '13C HMQC-NOESY' _BMRB_pulse_sequence_accession_number . _Details ; Cryoprobe was used for Bruker DRX 500. Long and short mixing time 15N NOESY-HSQC experiments were used to collect long-range distance constraints using 15N labeled, perdeuterated protein with protonated Trp and Tyr or Phe residues. The 13C HMQC-NOESY experiments were done using ILV-methyl labeled protein. ; save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details ; Cryoprobe was used for Bruker DRX 500. Long and short mixing time 15N NOESY-HSQC experiments were used to collect long-range distance constraints using 15N labeled, perdeuterated protein with protonated Trp and Tyr or Phe residues. The 13C HMQC-NOESY experiments were done using ILV-methyl labeled protein. ; save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 0.2 pH temperature 298 1 K 'ionic strength' 50 . mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 2 'methyl protons' ppm 0.0 . indirect . . . 0.153506088 $entry_citation $entry_citation 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D NOESY' '13C HMQC-NOESY' '13C NOESY-HSQC' '15N NOESY-HSQC' '15N TOCSY-HSQC' HC(CO)NH-TOCSY H(CCO)NH-TOCSY HN(COCA)CB-TROSY HN(CA)CB-TROSY HN(CA)CO-TROSY HNCO-TROSY HN(CO)CA-TROSY HNCA-TROSY stop_ loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name MMOR-FAD _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 . 2 CYS CA C 68.535 . 1 2 . 2 CYS CB C 40.520 . 1 3 . 2 CYS HB2 H 3.261 . 1 4 . 2 CYS HB3 H 2.980 . 1 5 . 2 CYS C C 175.703 . 1 6 . 3 ARG N N 126.452 . 1 7 . 3 ARG H H 8.935 . 1 8 . 3 ARG CA C 56.246 . 1 9 . 3 ARG HA H 4.346 . 1 10 . 3 ARG CB C 30.723 . 1 11 . 3 ARG HB2 H 1.775 . 2 12 . 3 ARG CG C 27.113 . 1 13 . 3 ARG HG2 H 1.568 . 2 14 . 3 ARG CD C 43.098 . 1 15 . 3 ARG HD2 H 3.160 . 2 16 . 3 ARG C C 175.600 . 1 17 . 4 ILE N N 122.783 . 1 18 . 4 ILE H H 8.197 . 1 19 . 4 ILE CA C 60.887 . 1 20 . 4 ILE HA H 4.171 . 1 21 . 4 ILE CB C 38.715 . 1 22 . 4 ILE HB H 1.785 . 1 23 . 4 ILE HG2 H 0.792 . 1 24 . 4 ILE CG2 C 17.574 . 1 25 . 4 ILE CG1 C 27.113 . 1 26 . 4 ILE HG12 H 1.411 . 1 27 . 4 ILE HG13 H 1.128 . 1 28 . 4 ILE HD1 H 0.828 . 1 29 . 4 ILE CD1 C 12.934 . 1 30 . 4 ILE C C 175.859 . 1 31 . 5 SER N N 120.163 . 1 32 . 5 SER H H 8.196 . 1 33 . 5 SER CA C 57.535 . 1 34 . 5 SER HA H 4.424 . 1 35 . 5 SER CB C 63.723 . 1 36 . 5 SER HB2 H 3.744 . 1 37 . 5 SER C C 177.722 . 1 38 . 6 PHE N N 123.307 . 1 39 . 6 PHE H H 8.254 . 1 40 . 6 PHE CA C 58.051 . 1 41 . 6 PHE HA H 4.619 . 1 42 . 6 PHE CB C 39.488 . 1 43 . 6 PHE HB2 H 3.178 . 1 44 . 6 PHE HB3 H 2.984 . 1 45 . 6 PHE HD1 H 7.242 . 1 46 . 6 PHE C C 175.626 . 1 47 . 7 GLY N N 110.729 . 1 48 . 7 GLY H H 8.243 . 1 49 . 7 GLY CA C 44.902 . 1 50 . 7 GLY HA2 H 3.896 . 1 51 . 7 GLY C C 178.033 . 1 52 . 8 GLU N N 121.211 . 1 53 . 8 GLU H H 8.145 . 1 54 . 8 GLU CA C 55.473 . 1 55 . 8 GLU HA H 4.268 . 1 56 . 8 GLU CB C 29.949 . 1 57 . 8 GLU HB2 H 1.977 . 1 58 . 8 GLU HB3 H 1.534 . 1 59 . 8 GLU CG C 36.137 . 1 60 . 8 GLU HG2 H 2.148 . 1 61 . 8 GLU HG3 H 1.982 . 1 62 . 8 GLU C C 175.470 . 1 63 . 9 VAL N N 123.831 . 1 64 . 9 VAL H H 8.172 . 1 65 . 9 VAL CA C 62.176 . 1 66 . 9 VAL HA H 4.100 . 1 67 . 9 VAL CB C 32.785 . 1 68 . 9 VAL HB H 1.989 . 1 69 . 9 VAL HG1 H 0.968 . 1 70 . 9 VAL HG2 H 0.940 . 1 71 . 9 VAL CG1 C 21.184 . 1 72 . 9 VAL CG2 C 21.184 . 1 73 . 9 VAL C C 175.470 . 1 74 . 10 GLY N N 115.446 . 1 75 . 10 GLY H H 8.430 . 1 76 . 10 GLY CA C 45.160 . 1 77 . 10 GLY HA2 H 4.301 . 1 78 . 10 GLY HA3 H 4.023 . 1 79 . 10 GLY C C 179.197 . 1 80 . 11 SER N N 113.874 . 1 81 . 11 SER H H 8.090 . 1 82 . 11 SER CA C 57.020 . 1 83 . 11 SER HA H 5.557 . 1 84 . 11 SER CB C 65.527 . 1 85 . 11 SER HB2 H 3.780 . 1 86 . 11 SER C C 178.033 . 1 87 . 12 PHE N N 120.687 . 1 88 . 12 PHE H H 8.912 . 1 89 . 12 PHE CA C 55.988 . 1 90 . 12 PHE HA H 5.072 . 1 91 . 12 PHE CB C 39.488 . 1 92 . 12 PHE HB2 H 3.405 . 1 93 . 12 PHE HD1 H 7.022 . 3 94 . 12 PHE HE1 H 6.872 . 3 95 . 12 PHE C C 179.079 . 1 96 . 13 GLU N N 118.591 . 1 97 . 13 GLU H H 8.736 . 1 98 . 13 GLU CA C 54.699 . 1 99 . 13 GLU HA H 5.312 . 1 100 . 13 GLU CB C 32.316 . 1 101 . 13 GLU HB2 H 1.915 . 1 102 . 13 GLU HB3 H 1.763 . 1 103 . 13 GLU CG C 36.910 . 1 104 . 13 GLU HG2 H 2.310 . 1 105 . 13 GLU HG3 H 2.075 . 1 106 . 13 GLU C C 175.477 . 1 107 . 14 ALA N N 123.801 . 1 108 . 14 ALA H H 9.363 . 1 109 . 14 ALA CA C 50.832 . 1 110 . 14 ALA HA H 5.138 . 1 111 . 14 ALA HB H 1.289 . 1 112 . 14 ALA CB C 22.988 . 1 113 . 15 GLU N N 122.229 . 1 114 . 15 GLU H H 8.714 . 1 115 . 15 GLU CA C 53.410 . 1 116 . 15 GLU HA H 5.373 . 1 117 . 15 GLU CB C 33.559 . 1 118 . 15 GLU HB2 H 1.881 . 1 119 . 15 GLU CG C 36.395 . 1 120 . 15 GLU HG2 H 2.059 . 1 121 . 16 VAL N N 124.326 . 1 122 . 16 VAL H H 9.202 . 1 123 . 16 VAL CA C 63.465 . 1 124 . 16 VAL HA H 3.965 . 1 125 . 16 VAL CB C 32.012 . 1 126 . 16 VAL HB H 1.382 . 1 127 . 16 VAL HG1 H 0.976 . 1 128 . 16 VAL HG2 H 0.716 . 1 129 . 16 VAL CG1 C 22.215 . 1 130 . 16 VAL CG2 C 22.215 . 1 131 . 17 VAL N N 124.850 . 1 132 . 17 VAL H H 9.159 . 1 133 . 17 VAL CA C 61.402 . 1 134 . 17 VAL HA H 4.630 . 1 135 . 17 VAL CB C 32.785 . 1 136 . 17 VAL HB H 2.260 . 1 137 . 17 VAL HG1 H 0.887 . 1 138 . 17 VAL HG2 H 0.568 . 1 139 . 17 VAL CG1 C 21.699 . 1 140 . 17 VAL CG2 C 19.379 . 1 141 . 18 GLY N N 111.223 . 1 142 . 18 GLY H H 7.796 . 1 143 . 18 GLY CA C 46.191 . 1 144 . 18 GLY HA2 H 4.119 . 1 145 . 18 GLY HA3 H 3.777 . 1 146 . 18 GLY C C 182.070 . 1 147 . 19 LEU N N 126.452 . 1 148 . 19 LEU H H 8.454 . 1 149 . 19 LEU CA C 55.730 . 1 150 . 19 LEU HA H 4.918 . 1 151 . 19 LEU CB C 43.871 . 1 152 . 19 LEU HB2 H 1.714 . 1 153 . 19 LEU HB3 H 1.421 . 1 154 . 19 LEU HD1 H 0.697 . 1 155 . 19 LEU HD2 H 0.679 . 1 156 . 19 LEU CD1 C 26.855 . 1 157 . 19 LEU CD2 C 25.309 . 1 158 . 19 LEU C C 177.800 . 1 159 . 20 ASN N N 122.783 . 1 160 . 20 ASN H H 8.876 . 1 161 . 20 ASN CA C 51.348 . 1 162 . 20 ASN HA H 5.348 . 1 163 . 20 ASN CB C 41.293 . 1 164 . 20 ASN HB2 H 2.812 . 1 165 . 20 ASN ND2 N 115.898 . 1 166 . 20 ASN HD21 H 7.818 . 1 167 . 20 ASN HD22 H 7.251 . 1 168 . 20 ASN C C 177.411 . 1 169 . 21 TRP N N 129.072 . 1 170 . 21 TRP H H 9.569 . 1 171 . 21 TRP CA C 58.824 . 1 172 . 21 TRP HA H 4.562 . 1 173 . 21 TRP CB C 26.598 . 1 174 . 21 TRP HB2 H 3.374 . 1 175 . 21 TRP HB3 H 3.154 . 1 176 . 21 TRP NE1 N 130.640 . 1 177 . 21 TRP HD1 H 7.278 . 1 178 . 21 TRP HE1 H 10.445 . 1 179 . 21 TRP HZ2 H 7.115 . 1 180 . 21 TRP C C 174.849 . 1 181 . 22 VAL N N 119.639 . 1 182 . 22 VAL H H 8.172 . 1 183 . 22 VAL CA C 61.660 . 1 184 . 22 VAL HA H 4.611 . 1 185 . 22 VAL CB C 31.754 . 1 186 . 22 VAL HB H 2.887 . 1 187 . 22 VAL HG1 H 1.020 . 1 188 . 22 VAL HG2 H 0.541 . 1 189 . 22 VAL CG1 C 23.504 . 1 190 . 22 VAL CG2 C 19.379 . 1 191 . 22 VAL C C 176.868 . 1 192 . 23 SER N N 115.970 . 1 193 . 23 SER H H 8.395 . 1 194 . 23 SER CA C 56.762 . 1 195 . 23 SER HA H 4.912 . 1 196 . 23 SER CB C 65.785 . 1 197 . 23 SER HB2 H 4.669 . 1 198 . 23 SER HB3 H 4.310 . 1 199 . 23 SER HG H 4.712 . 1 200 . 23 SER C C 177.644 . 1 201 . 24 SER N N 113.350 . 1 202 . 24 SER H H 8.313 . 1 203 . 24 SER CA C 60.887 . 1 204 . 24 SER HA H 4.260 . 1 205 . 24 SER CB C 62.691 . 1 206 . 24 SER HB2 H 3.903 . 1 207 . 24 SER HB3 H 3.762 . 1 208 . 24 SER C C 175.781 . 1 209 . 25 ASN N N 117.542 . 1 210 . 25 ASN H H 8.137 . 1 211 . 25 ASN CA C 52.379 . 1 212 . 25 ASN HA H 4.999 . 1 213 . 25 ASN CB C 38.457 . 1 214 . 25 ASN HB2 H 3.441 . 1 215 . 25 ASN HB3 H 2.805 . 1 216 . 25 ASN C C 178.188 . 1 217 . 26 THR N N 118.067 . 1 218 . 26 THR H H 7.295 . 1 219 . 26 THR CA C 62.176 . 1 220 . 26 THR HA H 4.908 . 1 221 . 26 THR CB C 70.684 . 1 222 . 26 THR HB H 3.377 . 1 223 . 26 THR HG2 H -0.160 . 1 224 . 26 THR HG1 H 4.337 . 1 225 . 26 THR CG2 C 20.926 . 1 226 . 26 THR C C 179.954 . 1 227 . 27 VAL N N 124.850 . 1 228 . 27 VAL H H 8.621 . 1 229 . 27 VAL CA C 59.082 . 1 230 . 27 VAL HA H 4.227 . 1 231 . 27 VAL CB C 34.590 . 1 232 . 27 VAL HB H 1.041 . 1 233 . 27 VAL HG1 H -0.005 . 1 234 . 27 VAL HG2 H -0.590 . 1 235 . 27 VAL CG1 C 20.668 . 1 236 . 27 VAL CG2 C 20.410 . 1 237 . 28 GLN N N 126.946 . 1 238 . 28 GLN H H 9.221 . 1 239 . 28 GLN CA C 53.606 . 1 240 . 28 GLN CG C 33.937 . 1 241 . 29 PHE N N 134.807 . 1 242 . 29 PHE H H 9.515 . 1 243 . 29 PHE CA C 54.184 . 1 244 . 29 PHE HA H 5.205 . 1 245 . 29 PHE CB C 42.337 . 1 246 . 29 PHE HB2 H 2.486 . 1 247 . 29 PHE HB3 H 2.395 . 1 248 . 29 PHE HD1 H 6.996 . 3 249 . 29 PHE HE1 H 7.115 . 3 250 . 30 LEU N N 126.946 . 1 251 . 30 LEU H H 8.478 . 1 252 . 30 LEU CA C 53.410 . 1 253 . 30 LEU HA H 5.242 . 1 254 . 30 LEU HB2 H 1.339 . 1 255 . 30 LEU HD1 H 0.773 . 1 256 . 30 LEU HD2 H 0.721 . 1 257 . 30 LEU CD1 C 24.020 . 1 258 . 30 LEU CD2 C 25.566 . 1 259 . 31 LEU N N 122.753 . 1 260 . 31 LEU H H 9.001 . 1 261 . 31 LEU CA C 52.121 . 1 262 . 31 LEU HA H 5.500 . 1 263 . 31 LEU HG H 1.321 . 1 264 . 31 LEU HD1 H 0.651 . 1 265 . 31 LEU HD2 H 0.331 . 1 266 . 31 LEU CD1 C 26.340 . 1 267 . 31 LEU CD2 C 24.277 . 1 268 . 32 GLN N N 121.181 . 1 269 . 32 GLN H H 9.258 . 1 270 . 32 GLN CA C 54.699 . 1 271 . 32 GLN HA H 5.019 . 1 272 . 32 GLN CB C 31.496 . 1 273 . 32 GLN HB2 H 1.606 . 1 274 . 32 GLN CG C 33.559 . 1 275 . 32 GLN HG2 H 2.170 . 1 276 . 32 GLN NE2 N 112.140 . 1 277 . 32 GLN HE21 H 8.134 . 1 278 . 32 GLN HE22 H 7.132 . 1 279 . 32 GLN C C 176.092 . 1 280 . 33 LYS N N 133.265 . 1 281 . 33 LYS H H 9.627 . 1 282 . 33 LYS CA C 57.871 . 1 283 . 33 LYS HA H 4.409 . 1 284 . 33 LYS CB C 33.020 . 1 285 . 33 LYS CG C 24.726 . 1 286 . 33 LYS CD C 29.221 . 1 287 . 33 LYS CE C 42.116 . 1 288 . 33 LYS C C 176.247 . 1 289 . 34 ARG N N 127.500 . 1 290 . 34 ARG H H 8.642 . 1 291 . 34 ARG CA C 54.184 . 1 292 . 34 ARG HA H 4.511 . 1 293 . 34 ARG CB C 29.176 . 1 294 . 34 ARG HB2 H 1.886 . 1 295 . 34 ARG CG C 27.113 . 1 296 . 34 ARG HG2 H 1.709 . 1 297 . 34 ARG CD C 42.840 . 1 298 . 34 ARG HD2 H 3.214 . 1 299 . 34 ARG C C 177.799 . 1 300 . 35 PRO CD C 49.801 . 1 301 . 35 PRO CA C 62.434 . 1 302 . 35 PRO HA H 4.191 . 1 303 . 35 PRO CB C 31.754 . 1 304 . 35 PRO HB2 H 1.984 . 1 305 . 35 PRO CG C 27.371 . 1 306 . 35 PRO HG2 H 2.126 . 1 307 . 35 PRO HG3 H 1.886 . 1 308 . 35 PRO HD2 H 3.627 . 1 309 . 35 PRO C C 174.772 . 1 310 . 36 ASP N N 121.735 . 1 311 . 36 ASP H H 7.797 . 1 312 . 36 ASP CA C 52.379 . 1 313 . 36 ASP HA H 4.707 . 1 314 . 36 ASP CB C 41.035 . 1 315 . 36 ASP HB2 H 3.420 . 1 316 . 36 ASP HB3 H 2.827 . 1 317 . 36 ASP C C 173.529 . 1 318 . 37 GLU N N 118.591 . 1 319 . 37 GLU H H 9.099 . 1 320 . 37 GLU CA C 59.082 . 1 321 . 37 GLU HA H 4.186 . 1 322 . 37 GLU CB C 28.660 . 1 323 . 37 GLU HB2 H 2.136 . 1 324 . 37 GLU CG C 36.137 . 1 325 . 37 GLU HG2 H 2.419 . 1 326 . 37 GLU C C 174.073 . 1 327 . 38 CYS N N 118.067 . 1 328 . 38 CYS H H 8.219 . 1 329 . 38 CYS CA C 58.051 . 1 330 . 38 CYS HA H 4.599 . 1 331 . 38 CYS CB C 27.887 . 1 332 . 38 CYS HB2 H 3.169 . 1 333 . 38 CYS HB3 H 2.934 . 1 334 . 38 CYS C C 176.868 . 1 335 . 39 GLY N N 109.681 . 1 336 . 39 GLY H H 8.149 . 1 337 . 39 GLY CA C 45.160 . 1 338 . 39 GLY HA2 H 4.229 . 1 339 . 39 GLY HA3 H 3.603 . 1 340 . 39 GLY C C 177.990 . 1 341 . 40 ASN N N 121.211 . 1 342 . 40 ASN H H 8.372 . 1 343 . 40 ASN CA C 53.410 . 1 344 . 40 ASN HA H 4.707 . 1 345 . 40 ASN CB C 39.230 . 1 346 . 40 ASN HB2 H 3.059 . 1 347 . 40 ASN HB3 H 2.776 . 1 348 . 40 ASN C C 175.794 . 1 349 . 41 ARG N N 125.404 . 1 350 . 41 ARG H H 9.017 . 1 351 . 41 ARG CA C 55.215 . 1 352 . 41 ARG HA H 4.181 . 1 353 . 41 ARG CB C 32.012 . 1 354 . 41 ARG HB2 H 1.543 . 1 355 . 41 ARG CG C 27.371 . 1 356 . 41 ARG HG2 H 1.333 . 1 357 . 41 ARG CD C 44.387 . 1 358 . 41 ARG HD2 H 3.126 . 1 359 . 41 ARG C C 177.955 . 1 360 . 42 GLY N N 104.440 . 1 361 . 42 GLY H H 7.609 . 1 362 . 42 GLY CA C 46.707 . 1 363 . 42 GLY HA2 H 3.765 . 1 364 . 42 GLY HA3 H 3.647 . 1 365 . 42 GLY C C 178.110 . 1 366 . 43 VAL N N 117.018 . 1 367 . 43 VAL H H 7.738 . 1 368 . 43 VAL CA C 58.309 . 1 369 . 43 VAL HA H 4.586 . 1 370 . 43 VAL CB C 35.363 . 1 371 . 43 VAL HB H 1.726 . 1 372 . 43 VAL HG1 H 0.944 . 1 373 . 43 VAL HG2 H 0.904 . 1 374 . 43 VAL CG1 C 20.926 . 1 375 . 43 VAL CG2 C 20.668 . 1 376 . 43 VAL C C 178.498 . 1 377 . 44 LYS N N 127.500 . 1 378 . 44 LYS H H 8.219 . 1 379 . 44 LYS CA C 55.730 . 1 380 . 44 LYS HA H 4.344 . 1 381 . 44 LYS CB C 34.590 . 1 382 . 44 LYS HB2 H 1.700 . 1 383 . 44 LYS HB3 H 1.560 . 1 384 . 44 LYS CG C 24.793 . 1 385 . 44 LYS HG2 H 1.212 . 1 386 . 44 LYS CD C 28.918 . 1 387 . 44 LYS HD2 H 1.546 . 1 388 . 44 LYS CE C 41.551 . 1 389 . 44 LYS HE2 H 2.864 . 1 390 . 44 LYS C C 177.489 . 1 391 . 45 PHE N N 117.542 . 1 392 . 45 PHE H H 6.799 . 1 393 . 45 PHE CA C 56.230 . 1 394 . 45 PHE CB C 39.309 . 1 395 . 45 PHE C C 179.663 . 1 396 . 46 GLU N N 121.211 . 1 397 . 46 GLU H H 9.193 . 1 398 . 46 GLU CA C 52.379 . 1 399 . 46 GLU HA H 4.883 . 1 400 . 46 GLU CB C 29.949 . 1 401 . 46 GLU HB2 H 1.938 . 1 402 . 46 GLU HB3 H 1.816 . 1 403 . 46 GLU CG C 35.621 . 1 404 . 46 GLU HG2 H 2.217 . 1 405 . 46 GLU C C 177.841 . 1 406 . 47 PRO CD C 50.832 . 1 407 . 47 PRO CA C 64.785 . 1 408 . 47 PRO CB C 31.579 . 1 409 . 47 PRO CG C 27.968 . 1 410 . 47 PRO HD2 H 3.590 . 1 411 . 47 PRO C C 175.781 . 1 412 . 48 GLY N N 117.542 . 1 413 . 48 GLY H H 9.663 . 1 414 . 48 GLY CA C 45.934 . 1 415 . 48 GLY HA2 H 5.061 . 1 416 . 48 GLY HA3 H 3.563 . 1 417 . 48 GLY C C 175.315 . 1 418 . 49 GLN N N 119.639 . 1 419 . 49 GLN H H 8.478 . 1 420 . 49 GLN CA C 58.566 . 1 421 . 49 GLN HA H 4.840 . 1 422 . 49 GLN CB C 31.379 . 1 423 . 49 GLN HB2 H 2.389 . 1 424 . 49 GLN CG C 37.684 . 1 425 . 49 GLN HG2 H 3.176 . 1 426 . 49 GLN HG3 H 2.056 . 1 427 . 49 GLN C C 177.567 . 1 428 . 50 PHE N N 113.874 . 1 429 . 50 PHE H H 8.970 . 1 430 . 50 PHE CA C 54.996 . 1 431 . 50 PHE CB C 41.379 . 1 432 . 50 PHE HD1 H 7.197 . 3 433 . 50 PHE HE1 H 7.082 . 3 434 . 50 PHE C C 178.699 . 1 435 . 51 MET N N 117.512 . 1 436 . 51 MET H H 9.403 . 1 437 . 51 MET CA C 53.668 . 1 438 . 51 MET HA H 4.899 . 1 439 . 51 MET HB2 H 1.904 . 1 440 . 51 MET HB3 H 1.763 . 1 441 . 51 MET CG C 35.105 . 1 442 . 51 MET HG2 H 2.500 . 1 443 . 51 MET HG3 H 2.398 . 1 444 . 52 ASP N N 120.657 . 1 445 . 52 ASP H H 9.032 . 1 446 . 52 ASP CA C 52.637 . 1 447 . 52 ASP HA H 5.613 . 1 448 . 52 ASP CB C 41.551 . 1 449 . 52 ASP HB2 H 2.375 . 1 450 . 52 ASP HB3 H 2.047 . 1 451 . 53 LEU N N 128.518 . 1 452 . 53 LEU H H 9.305 . 1 453 . 53 LEU CA C 54.441 . 1 454 . 53 LEU HA H 4.657 . 1 455 . 53 LEU CB C 43.871 . 1 456 . 53 LEU HB2 H 1.735 . 1 457 . 53 LEU HB3 H 1.413 . 1 458 . 53 LEU HD1 H 0.235 . 1 459 . 53 LEU HD2 H 0.431 . 1 460 . 53 LEU CD1 C 24.535 . 1 461 . 53 LEU CD2 C 25.051 . 1 462 . 53 LEU C C 175.936 . 1 463 . 54 THR N N 119.115 . 1 464 . 54 THR H H 8.114 . 1 465 . 54 THR CA C 61.660 . 1 466 . 54 THR HA H 5.018 . 1 467 . 54 THR CB C 69.395 . 1 468 . 54 THR HB H 3.983 . 1 469 . 54 THR HG2 H 1.006 . 1 470 . 54 THR CG2 C 21.957 . 1 471 . 54 THR C C 176.480 . 1 472 . 55 ILE N N 130.120 . 1 473 . 55 ILE H H 8.372 . 1 474 . 55 ILE CA C 60.887 . 1 475 . 55 ILE HA H 3.156 . 1 476 . 55 ILE CB C 37.684 . 1 477 . 55 ILE HB H 1.814 . 1 478 . 55 ILE HG2 H 0.353 . 1 479 . 55 ILE CG2 C 15.254 . 1 480 . 55 ILE HD1 H 0.612 . 1 481 . 55 ILE CD1 C 13.707 . 1 482 . 55 ILE C C 176.774 . 1 483 . 56 PRO CD C 50.832 . 1 484 . 56 PRO CA C 64.496 . 1 485 . 56 PRO HA H 4.392 . 1 486 . 56 PRO CB C 31.754 . 1 487 . 56 PRO HB2 H 2.372 . 1 488 . 56 PRO CG C 27.887 . 1 489 . 56 PRO HG2 H 1.874 . 1 490 . 56 PRO HD2 H 3.464 . 1 491 . 56 PRO HD3 H 2.714 . 1 492 . 56 PRO C C 174.616 . 1 493 . 57 GLY N N 111.778 . 1 494 . 57 GLY H H 8.642 . 1 495 . 57 GLY CA C 44.902 . 1 496 . 57 GLY HA2 H 4.148 . 1 497 . 57 GLY HA3 H 3.737 . 1 498 . 57 GLY C C 177.489 . 1 499 . 58 THR N N 111.253 . 1 500 . 58 THR H H 7.809 . 1 501 . 58 THR CA C 59.855 . 1 502 . 58 THR HA H 4.945 . 1 503 . 58 THR CB C 72.230 . 1 504 . 58 THR HB H 4.267 . 1 505 . 58 THR HG2 H 0.964 . 1 506 . 58 THR CG2 C 20.668 . 1 507 . 58 THR C C 178.964 . 1 508 . 59 ASP N N 117.542 . 1 509 . 59 ASP H H 8.114 . 1 510 . 59 ASP CA C 52.379 . 1 511 . 59 ASP HA H 4.789 . 1 512 . 59 ASP CB C 40.777 . 1 513 . 59 ASP HB2 H 2.767 . 1 514 . 59 ASP HB3 H 2.614 . 1 515 . 59 ASP C C 175.315 . 1 516 . 60 VAL N N 124.356 . 1 517 . 60 VAL H H 8.736 . 1 518 . 60 VAL CA C 62.949 . 1 519 . 60 VAL HA H 4.012 . 1 520 . 60 VAL CB C 32.270 . 1 521 . 60 VAL HB H 2.109 . 1 522 . 60 VAL HG1 H 0.975 . 1 523 . 60 VAL HG2 H 0.878 . 1 524 . 60 VAL CG1 C 20.668 . 1 525 . 60 VAL CG2 C 21.441 . 1 526 . 60 VAL C C 178.069 . 1 527 . 61 SER N N 121.211 . 1 528 . 61 SER H H 8.372 . 1 529 . 61 SER CA C 55.473 . 1 530 . 61 SER HA H 5.948 . 1 531 . 61 SER CB C 66.816 . 1 532 . 61 SER HB2 H 3.523 . 1 533 . 61 SER HB3 H 3.387 . 1 534 . 61 SER C C 177.567 . 1 535 . 62 ARG N N 120.163 . 1 536 . 62 ARG H H 8.231 . 1 537 . 62 ARG CA C 52.398 . 1 538 . 62 ARG CB C 35.480 . 1 539 . 62 ARG C C 177.567 . 1 540 . 63 SER N N 117.018 . 1 541 . 63 SER H H 7.480 . 1 542 . 63 SER CA C 56.861 . 1 543 . 63 SER CB C 62.674 . 1 544 . 64 TYR N N 119.609 . 1 545 . 64 TYR H H 8.992 . 1 546 . 64 TYR CA C 57.206 . 1 547 . 64 TYR CB C 43.137 . 1 548 . 64 TYR HB2 H 2.967 . 1 549 . 64 TYR HB3 H 1.903 . 1 550 . 64 TYR HD1 H 6.575 . 3 551 . 64 TYR HE1 H 6.040 . 3 552 . 64 TYR C C 176.480 . 1 553 . 65 SER N N 123.307 . 1 554 . 65 SER H H 9.166 . 1 555 . 65 SER CA C 57.793 . 1 556 . 65 SER HA H 5.307 . 1 557 . 65 SER CB C 63.411 . 1 558 . 65 SER HB2 H 2.869 . 1 559 . 66 PRO CA C 62.701 . 1 560 . 66 PRO CB C 31.284 . 1 561 . 67 ALA N N 120.657 . 1 562 . 67 ALA H H 8.639 . 1 563 . 67 ALA CA C 50.574 . 1 564 . 67 ALA HA H 4.839 . 1 565 . 67 ALA HB H 0.973 . 1 566 . 67 ALA CB C 19.637 . 1 567 . 67 ALA C C 174.927 . 1 568 . 68 ASN N N 117.018 . 1 569 . 68 ASN H H 8.442 . 1 570 . 68 ASN CA C 50.832 . 1 571 . 68 ASN HA H 4.756 . 1 572 . 68 ASN CB C 37.684 . 1 573 . 68 ASN HB2 H 3.081 . 1 574 . 68 ASN HB3 H 2.726 . 1 575 . 68 ASN ND2 N 115.609 . 1 576 . 68 ASN HD21 H 8.085 . 1 577 . 68 ASN HD22 H 7.063 . 1 578 . 68 ASN C C 180.362 . 1 579 . 69 LEU N N 117.018 . 1 580 . 69 LEU H H 7.351 . 1 581 . 69 LEU CA C 51.863 . 1 582 . 69 LEU HA H 4.705 . 1 583 . 69 LEU CB C 41.809 . 1 584 . 69 LEU HB2 H 1.542 . 1 585 . 69 LEU CD1 C 25.309 . 1 586 . 69 LEU CD2 C 25.309 . 1 587 . 69 LEU HD1 H 0.658 . 1 588 . 69 LEU C C 177.485 . 1 589 . 70 PRO CA C 62.949 . 1 590 . 70 PRO HA H 3.718 . 1 591 . 70 PRO CB C 32.527 . 1 592 . 70 PRO HB2 H 1.924 . 1 593 . 70 PRO HB3 H 1.680 . 1 594 . 70 PRO CG C 27.113 . 1 595 . 70 PRO HG2 H 1.518 . 1 596 . 70 PRO C C 177.023 . 1 597 . 71 ASN N N 115.970 . 1 598 . 71 ASN H H 7.316 . 1 599 . 71 ASN CA C 51.863 . 1 600 . 71 ASN HA H 5.180 . 1 601 . 71 ASN CB C 40.777 . 1 602 . 71 ASN HB2 H 2.767 . 1 603 . 71 ASN C C 177.904 . 1 604 . 72 PRO CD C 51.348 . 1 605 . 72 PRO CA C 63.980 . 1 606 . 72 PRO HA H 4.503 . 1 607 . 72 PRO CB C 32.012 . 1 608 . 72 PRO HB2 H 2.293 . 1 609 . 72 PRO CG C 26.855 . 1 610 . 72 PRO HG2 H 2.039 . 1 611 . 72 PRO HD2 H 3.964 . 1 612 . 72 PRO HD3 H 3.767 . 1 613 . 73 GLU N N 118.067 . 1 614 . 73 GLU H H 7.644 . 1 615 . 73 GLU CA C 57.535 . 1 616 . 73 GLU HA H 4.179 . 1 617 . 73 GLU CB C 29.176 . 1 618 . 73 GLU HB2 H 2.164 . 1 619 . 73 GLU HB3 H 2.000 . 1 620 . 73 GLU CG C 37.168 . 1 621 . 73 GLU HG2 H 2.329 . 1 622 . 73 GLU HG3 H 2.183 . 1 623 . 74 GLY N N 107.061 . 1 624 . 74 GLY H H 7.269 . 1 625 . 74 GLY CA C 47.480 . 1 626 . 74 GLY HA2 H 4.377 . 1 627 . 74 GLY HA3 H 3.648 . 1 628 . 75 ARG N N 122.783 . 1 629 . 75 ARG H H 9.052 . 1 630 . 75 ARG CA C 57.020 . 1 631 . 75 ARG HA H 4.550 . 1 632 . 75 ARG CB C 30.465 . 1 633 . 75 ARG HB2 H 1.748 . 1 634 . 75 ARG HB3 H 1.651 . 1 635 . 75 ARG CG C 28.660 . 1 636 . 75 ARG HG2 H 1.492 . 1 637 . 75 ARG HG3 H 1.357 . 1 638 . 75 ARG CD C 42.582 . 1 639 . 75 ARG HD2 H 3.126 . 1 640 . 75 ARG HD3 H 3.053 . 1 641 . 76 LEU N N 124.850 . 1 642 . 76 LEU H H 8.908 . 1 643 . 76 LEU CA C 53.926 . 1 644 . 76 LEU HA H 4.548 . 1 645 . 76 LEU CB C 46.965 . 1 646 . 76 LEU HB2 H 1.363 . 1 647 . 76 LEU CG C 26.082 . 1 648 . 76 LEU HG H 1.579 . 1 649 . 76 LEU HD1 H 1.020 . 1 650 . 76 LEU HD2 H 0.720 . 1 651 . 76 LEU CD1 C 25.824 . 1 652 . 76 LEU CD2 C 24.535 . 1 653 . 77 GLU N N 124.356 . 1 654 . 77 GLU H H 7.257 . 1 655 . 77 GLU CA C 53.926 . 1 656 . 77 GLU HA H 4.515 . 1 657 . 77 GLU CB C 31.754 . 1 658 . 77 GLU HB2 H 1.677 . 1 659 . 78 PHE N N 124.850 . 1 660 . 78 PHE H H 8.718 . 1 661 . 78 PHE CA C 55.722 . 1 662 . 78 PHE CB C 40.949 . 1 663 . 78 PHE HD1 H 7.073 . 3 664 . 78 PHE HE1 H 6.810 . 3 665 . 78 PHE C C 177.411 . 1 666 . 79 LEU N N 126.946 . 1 667 . 79 LEU H H 10.881 . 1 668 . 79 LEU CA C 52.971 . 1 669 . 79 LEU HD1 H 0.677 . 1 670 . 79 LEU HD2 H 0.207 . 1 671 . 79 LEU CD1 C 22.144 . 1 672 . 79 LEU CD2 C 23.691 . 1 673 . 79 LEU C C 177.862 . 1 674 . 80 ILE N N 123.801 . 1 675 . 80 ILE H H 8.833 . 1 676 . 80 ILE CA C 61.145 . 1 677 . 80 ILE HA H 4.072 . 1 678 . 80 ILE CB C 41.035 . 1 679 . 80 ILE HB H 1.020 . 1 680 . 80 ILE HG2 H 0.251 . 1 681 . 80 ILE CG2 C 17.059 . 1 682 . 80 ILE CG1 C 19.274 . 1 683 . 80 ILE HD1 H -0.316 . 1 684 . 80 ILE CD1 C 14.223 . 1 685 . 80 ILE C C 177.489 . 1 686 . 81 ARG N N 130.120 . 1 687 . 81 ARG H H 8.243 . 1 688 . 81 ARG CA C 53.668 . 1 689 . 81 ARG HA H 4.529 . 1 690 . 81 ARG CB C 28.645 . 1 691 . 81 ARG HB2 H 1.936 . 1 692 . 81 ARG CG C 26.082 . 1 693 . 81 ARG HG2 H 1.126 . 1 694 . 81 ARG CD C 41.551 . 1 695 . 81 ARG HD2 H 3.340 . 1 696 . 81 ARG C C 177.955 . 1 697 . 82 VAL N N 129.596 . 1 698 . 82 VAL H H 8.677 . 1 699 . 82 VAL CA C 61.660 . 1 700 . 82 VAL HA H 3.978 . 1 701 . 82 VAL CB C 30.980 . 1 702 . 82 VAL HB H 1.892 . 1 703 . 82 VAL HG1 H 0.969 . 1 704 . 82 VAL HG2 H 0.579 . 1 705 . 82 VAL CG1 C 22.215 . 1 706 . 82 VAL CG2 C 21.441 . 1 707 . 82 VAL C C 175.781 . 1 708 . 83 LEU N N 129.596 . 1 709 . 83 LEU H H 8.794 . 1 710 . 83 LEU CA C 52.895 . 1 711 . 83 LEU HA H 4.387 . 1 712 . 83 LEU CB C 40.053 . 1 713 . 83 LEU CG C 27.887 . 1 714 . 83 LEU HG H 1.378 . 1 715 . 83 LEU HD1 H 1.440 . 1 716 . 83 LEU HD2 H 0.461 . 1 717 . 83 LEU CD1 C 27.113 . 1 718 . 83 LEU CD2 C 22.473 . 1 719 . 83 LEU C C 176.146 . 1 720 . 84 PRO CD C 50.832 . 1 721 . 84 PRO CA C 65.270 . 1 722 . 84 PRO HA H 4.190 . 1 723 . 84 PRO CB C 31.754 . 1 724 . 84 PRO HB2 H 2.378 . 1 725 . 84 PRO HB3 H 1.985 . 1 726 . 84 PRO CG C 27.887 . 1 727 . 84 PRO HG2 H 2.202 . 1 728 . 84 PRO HG3 H 2.040 . 1 729 . 84 PRO HD2 H 3.789 . 1 730 . 85 GLU N N 113.350 . 1 731 . 85 GLU H H 7.458 . 1 732 . 85 GLU CA C 54.427 . 1 733 . 85 GLU CB C 31.379 . 1 734 . 85 GLU CG C 35.754 . 1 735 . 86 GLY N N 108.079 . 1 736 . 86 GLY H H 7.756 . 1 737 . 86 GLY CA C 45.934 . 1 738 . 86 GLY HA2 H 4.445 . 1 739 . 87 ARG N N 126.452 . 1 740 . 87 ARG H H 8.665 . 1 741 . 87 ARG CA C 58.309 . 1 742 . 87 ARG HA H 4.309 . 1 743 . 87 ARG CB C 29.691 . 1 744 . 87 ARG HB2 H 1.927 . 1 745 . 87 ARG HB3 H 1.787 . 1 746 . 87 ARG CG C 26.598 . 1 747 . 87 ARG HG2 H 1.778 . 1 748 . 87 ARG CD C 41.293 . 1 749 . 87 ARG HD2 H 3.328 . 1 750 . 87 ARG C C 172.365 . 1 751 . 88 PHE N N 131.663 . 1 752 . 88 PHE H H 12.026 . 1 753 . 88 PHE CA C 60.566 . 1 754 . 88 PHE CB C 40.262 . 1 755 . 88 PHE HB2 H 3.591 . 1 756 . 88 PHE HB3 H 3.066 . 1 757 . 88 PHE HD1 H 6.799 . 3 758 . 88 PHE HE1 H 6.566 . 3 759 . 89 SER N N 115.970 . 1 760 . 89 SER H H 7.586 . 1 761 . 89 SER CA C 63.775 . 1 762 . 89 SER CB C 62.551 . 1 763 . 89 SER C C 178.113 . 1 764 . 90 ASP N N 121.705 . 1 765 . 90 ASP H H 8.148 . 1 766 . 90 ASP CA C 57.535 . 1 767 . 90 ASP HA H 4.337 . 1 768 . 90 ASP CB C 39.746 . 1 769 . 90 ASP HB2 H 2.948 . 1 770 . 90 ASP HB3 H 2.702 . 1 771 . 90 ASP C C 173.452 . 1 772 . 91 TYR N N 122.259 . 1 773 . 91 TYR H H 7.539 . 1 774 . 91 TYR CA C 60.371 . 1 775 . 91 TYR HA H 4.471 . 1 776 . 91 TYR CB C 36.442 . 1 777 . 91 TYR HB2 H 3.275 . 1 778 . 91 TYR HB3 H 3.025 . 1 779 . 91 TYR C C 174.054 . 1 780 . 92 LEU N N 121.181 . 1 781 . 92 LEU H H 8.181 . 1 782 . 92 LEU CA C 57.535 . 1 783 . 92 LEU HA H 3.259 . 1 784 . 92 LEU HB2 H 0.516 . 1 785 . 92 LEU HD1 H 0.369 . 1 786 . 92 LEU HD2 H -0.311 . 1 787 . 92 LEU CD1 C 26.855 . 1 788 . 92 LEU CD2 C 22.215 . 1 789 . 93 ARG N N 115.940 . 1 790 . 93 ARG H H 7.952 . 1 791 . 93 ARG CA C 59.855 . 1 792 . 93 ARG HA H 4.107 . 1 793 . 93 ARG CB C 31.379 . 1 794 . 93 ARG HB2 H 1.968 . 1 795 . 93 ARG CG C 28.402 . 1 796 . 93 ARG HG2 H 1.850 . 1 797 . 93 ARG HG3 H 1.675 . 1 798 . 93 ARG CD C 43.355 . 1 799 . 93 ARG HD2 H 3.341 . 1 800 . 93 ARG HD3 H 3.160 . 1 801 . 93 ARG C C 174.073 . 1 802 . 94 ASN N N 112.302 . 1 803 . 94 ASN H H 8.067 . 1 804 . 94 ASN CA C 54.699 . 1 805 . 94 ASN HA H 4.913 . 1 806 . 94 ASN CB C 41.551 . 1 807 . 94 ASN HB2 H 2.665 . 1 808 . 94 ASN ND2 N 115.320 . 1 809 . 94 ASN HD21 H 7.638 . 1 810 . 94 ASN HD22 H 7.141 . 1 811 . 94 ASN C C 176.092 . 1 812 . 95 ASP N N 119.115 . 1 813 . 95 ASP H H 8.015 . 1 814 . 95 ASP CA C 55.215 . 1 815 . 95 ASP HA H 4.912 . 1 816 . 95 ASP CB C 45.160 . 1 817 . 95 ASP HB2 H 2.869 . 1 818 . 95 ASP HB3 H 2.731 . 1 819 . 95 ASP C C 175.781 . 1 820 . 96 ALA N N 124.356 . 1 821 . 96 ALA H H 7.586 . 1 822 . 96 ALA CA C 52.637 . 1 823 . 96 ALA HA H 4.424 . 1 824 . 96 ALA HB H 0.501 . 1 825 . 96 ALA CB C 19.379 . 1 826 . 96 ALA C C 174.073 . 1 827 . 97 ARG N N 118.067 . 1 828 . 97 ARG H H 7.320 . 1 829 . 97 ARG CA C 53.410 . 1 830 . 97 ARG HA H 4.567 . 1 831 . 97 ARG CB C 34.074 . 1 832 . 97 ARG HB2 H 1.845 . 1 833 . 97 ARG HB3 H 1.590 . 1 834 . 97 ARG CG C 26.340 . 1 835 . 97 ARG HG2 H 1.588 . 1 836 . 97 ARG CD C 43.098 . 1 837 . 97 ARG HD2 H 3.295 . 1 838 . 97 ARG HD3 H 3.143 . 1 839 . 97 ARG C C 176.737 . 1 840 . 98 VAL N N 121.211 . 1 841 . 98 VAL H H 8.384 . 1 842 . 98 VAL CA C 64.496 . 1 843 . 98 VAL HA H 3.413 . 1 844 . 98 VAL CB C 31.496 . 1 845 . 98 VAL HB H 1.916 . 1 846 . 98 VAL HG1 H 0.893 . 1 847 . 98 VAL HG2 H 0.743 . 1 848 . 98 VAL CG1 C 21.957 . 1 849 . 98 VAL CG2 C 21.957 . 1 850 . 98 VAL C C 174.531 . 1 851 . 99 GLY N N 115.970 . 1 852 . 99 GLY H H 9.111 . 1 853 . 99 GLY CA C 44.387 . 1 854 . 99 GLY HA2 H 4.503 . 1 855 . 99 GLY HA3 H 3.789 . 1 856 . 99 GLY C C 176.635 . 1 857 . 100 GLN N N 119.639 . 1 858 . 100 GLN H H 7.327 . 1 859 . 100 GLN CA C 56.504 . 1 860 . 100 GLN HA H 4.324 . 1 861 . 100 GLN CB C 29.691 . 1 862 . 100 GLN HB2 H 2.331 . 1 863 . 100 GLN HB3 H 1.959 . 1 864 . 100 GLN CG C 34.848 . 1 865 . 100 GLN HG2 H 2.579 . 1 866 . 100 GLN NE2 N 113.874 . 1 867 . 100 GLN HE21 H 7.936 . 1 868 . 100 GLN HE22 H 7.302 . 1 869 . 100 GLN C C 177.256 . 1 870 . 101 VAL N N 120.687 . 1 871 . 101 VAL H H 8.196 . 1 872 . 101 VAL CA C 61.402 . 1 873 . 101 VAL HA H 4.743 . 1 874 . 101 VAL CB C 33.559 . 1 875 . 101 VAL HB H 1.876 . 1 876 . 101 VAL HG1 H 0.862 . 1 877 . 101 VAL HG2 H 0.638 . 1 878 . 101 VAL CG1 C 21.957 . 1 879 . 101 VAL CG2 C 21.957 . 1 880 . 101 VAL C C 177.025 . 1 881 . 102 LEU N N 129.042 . 1 882 . 102 LEU H H 9.239 . 1 883 . 102 LEU CA C 55.215 . 1 884 . 102 LEU HA H 4.948 . 1 885 . 102 LEU CB C 44.902 . 1 886 . 102 LEU HB2 H 1.774 . 1 887 . 102 LEU HB3 H 1.414 . 1 888 . 102 LEU CG C 30.723 . 1 889 . 102 LEU HG H 1.858 . 1 890 . 102 LEU HD1 H 0.975 . 1 891 . 102 LEU HD2 H 1.008 . 1 892 . 102 LEU CD1 C 25.051 . 1 893 . 102 LEU CD2 C 27.629 . 1 894 . 103 SER N N 117.018 . 1 895 . 103 SER H H 8.653 . 1 896 . 103 SER CA C 58.824 . 1 897 . 103 SER HA H 4.682 . 1 898 . 103 SER CB C 63.465 . 1 899 . 103 SER HB2 H 3.784 . 1 900 . 103 SER HB3 H 3.634 . 1 901 . 104 VAL N N 126.422 . 1 902 . 104 VAL H H 8.632 . 1 903 . 104 VAL CA C 60.629 . 1 904 . 104 VAL HA H 4.475 . 1 905 . 104 VAL CB C 31.947 . 1 906 . 104 VAL HG1 H 0.439 . 1 907 . 104 VAL HG2 H 0.488 . 1 908 . 104 VAL CG1 C 24.277 . 1 909 . 104 VAL CG2 C 21.699 . 1 910 . 104 VAL C C 177.955 . 1 911 . 105 LYS N N 125.928 . 1 912 . 105 LYS H H 8.630 . 1 913 . 105 LYS CA C 53.926 . 1 914 . 105 LYS HA H 5.133 . 1 915 . 105 LYS CB C 35.879 . 1 916 . 105 LYS HB2 H 1.651 . 1 917 . 105 LYS CG C 25.051 . 1 918 . 105 LYS HG2 H 1.383 . 1 919 . 105 LYS HG3 H 1.202 . 1 920 . 105 LYS CD C 29.176 . 1 921 . 105 LYS HD2 H 1.614 . 1 922 . 105 LYS CE C 42.066 . 1 923 . 105 LYS HE2 H 2.855 . 1 924 . 105 LYS C C 176.790 . 1 925 . 106 GLY N N 109.157 . 1 926 . 106 GLY H H 8.466 . 1 927 . 106 GLY CA C 44.129 . 1 928 . 106 GLY HA2 H 4.901 . 1 929 . 106 GLY HA3 H 3.383 . 1 930 . 106 GLY C C 181.440 . 1 931 . 107 PRO CD C 50.147 . 1 932 . 107 PRO CA C 62.324 . 1 933 . 107 PRO CB C 35.480 . 1 934 . 107 PRO CG C 32.445 . 1 935 . 107 PRO C C 177.489 . 1 936 . 108 LEU N N 123.307 . 1 937 . 108 LEU H H 8.888 . 1 938 . 108 LEU CA C 53.668 . 1 939 . 108 LEU HA H 4.402 . 1 940 . 108 LEU CB C 45.418 . 1 941 . 108 LEU HB2 H -0.094 . 1 942 . 108 LEU HD1 H 0.776 . 1 943 . 108 LEU HD2 H 0.626 . 1 944 . 108 LEU CD1 C 24.277 . 1 945 . 108 LEU CD2 C 26.598 . 1 946 . 108 LEU C C 176.557 . 1 947 . 109 GLY N N 105.489 . 1 948 . 109 GLY H H 7.691 . 1 949 . 109 GLY CA C 44.902 . 1 950 . 109 GLY HA2 H 5.602 . 1 951 . 109 GLY HA3 H 3.957 . 1 952 . 109 GLY C C 175.470 . 1 953 . 110 VAL N N 111.778 . 1 954 . 110 VAL H H 8.689 . 1 955 . 110 VAL CA C 60.113 . 1 956 . 110 VAL HA H 4.668 . 1 957 . 110 VAL CB C 32.785 . 1 958 . 110 VAL HB H 2.501 . 1 959 . 110 VAL HG1 H 0.876 . 1 960 . 110 VAL HG2 H 0.877 . 1 961 . 110 VAL CG1 C 21.441 . 1 962 . 110 VAL CG2 C 18.090 . 1 963 . 110 VAL C C 175.237 . 1 964 . 111 PHE N N 130.645 . 1 965 . 111 PHE H H 9.041 . 1 966 . 111 PHE CA C 57.277 . 1 967 . 111 PHE HA H 4.704 . 1 968 . 111 PHE CB C 38.715 . 1 969 . 111 PHE HB2 H 3.561 . 1 970 . 111 PHE HB3 H 3.175 . 1 971 . 111 PHE HD1 H 7.531 . 1 972 . 111 PHE C C 177.101 . 1 973 . 112 GLY N N 110.729 . 1 974 . 112 GLY H H 6.623 . 1 975 . 112 GLY CA C 44.902 . 1 976 . 112 GLY HA2 H 4.025 . 1 977 . 112 GLY C C 179.741 . 1 978 . 113 LEU N N 119.639 . 1 979 . 113 LEU H H 8.736 . 1 980 . 113 LEU CA C 55.215 . 1 981 . 113 LEU HA H 3.913 . 1 982 . 113 LEU CB C 43.871 . 1 983 . 113 LEU HB2 H 1.649 . 1 984 . 113 LEU HB3 H 1.039 . 1 985 . 113 LEU CG C 25.051 . 1 986 . 113 LEU HG H 0.814 . 1 987 . 113 LEU HD1 H 0.749 . 1 988 . 113 LEU HD2 H 0.572 . 1 989 . 113 LEU CD1 C 24.722 . 1 990 . 113 LEU CD2 C 24.035 . 1 991 . 113 LEU C C 173.840 . 1 992 . 114 LYS N N 123.831 . 1 993 . 114 LYS H H 7.973 . 1 994 . 114 LYS CA C 53.152 . 1 995 . 114 LYS HA H 4.432 . 1 996 . 114 LYS CB C 32.785 . 1 997 . 114 LYS HB2 H 1.436 . 1 998 . 114 LYS HB3 H 1.296 . 1 999 . 114 LYS CG C 23.504 . 1 1000 . 114 LYS HG2 H 1.035 . 1 1001 . 114 LYS HG3 H 0.786 . 1 1002 . 114 LYS CD C 27.887 . 1 1003 . 114 LYS HD2 H 1.413 . 1 1004 . 114 LYS CE C 42.066 . 1 1005 . 114 LYS HE2 H 2.841 . 1 1006 . 114 LYS C C 175.781 . 1 1007 . 115 GLU N N 126.452 . 1 1008 . 115 GLU H H 8.630 . 1 1009 . 115 GLU CA C 56.504 . 1 1010 . 115 GLU HA H 4.190 . 1 1011 . 115 GLU CB C 28.918 . 1 1012 . 115 GLU HB2 H 1.911 . 1 1013 . 115 GLU CG C 35.105 . 1 1014 . 115 GLU HG2 H 2.205 . 1 1015 . 115 GLU C C 175.703 . 1 1016 . 116 ARG N N 129.596 . 1 1017 . 116 ARG H H 9.076 . 1 1018 . 116 ARG CA C 55.473 . 1 1019 . 116 ARG HA H 4.477 . 1 1020 . 116 ARG CB C 31.238 . 1 1021 . 116 ARG HB2 H 2.081 . 1 1022 . 116 ARG HB3 H 1.661 . 1 1023 . 116 ARG CG C 27.371 . 1 1024 . 116 ARG HG2 H 1.678 . 1 1025 . 116 ARG HG3 H 1.333 . 1 1026 . 116 ARG CD C 43.137 . 1 1027 . 116 ARG HD2 H 3.283 . 1 1028 . 116 ARG HD3 H 3.169 . 1 1029 . 116 ARG C C 175.936 . 1 1030 . 117 GLY N N 111.778 . 1 1031 . 117 GLY H H 8.524 . 1 1032 . 117 GLY CA C 45.676 . 1 1033 . 117 GLY HA2 H 4.227 . 1 1034 . 117 GLY HA3 H 3.784 . 1 1035 . 117 GLY C C 176.014 . 1 1036 . 118 MET N N 123.831 . 1 1037 . 118 MET H H 8.724 . 1 1038 . 118 MET CA C 54.441 . 1 1039 . 118 MET HA H 4.506 . 1 1040 . 118 MET CB C 31.754 . 1 1041 . 118 MET HB2 H 2.329 . 1 1042 . 118 MET HB3 H 1.921 . 1 1043 . 118 MET CG C 32.785 . 1 1044 . 118 MET HG2 H 2.728 . 1 1045 . 118 MET HG3 H 2.509 . 1 1046 . 118 MET C C 176.247 . 1 1047 . 119 ALA N N 125.404 . 1 1048 . 119 ALA H H 7.527 . 1 1049 . 119 ALA CA C 51.863 . 1 1050 . 119 ALA HA H 4.522 . 1 1051 . 119 ALA HB H 1.468 . 1 1052 . 119 ALA CB C 17.316 . 1 1053 . 119 ALA C C 176.105 . 1 1054 . 120 PRO CD C 50.832 . 1 1055 . 120 PRO CA C 63.207 . 1 1056 . 120 PRO HA H 5.030 . 1 1057 . 120 PRO CB C 33.301 . 1 1058 . 120 PRO HB2 H 2.509 . 1 1059 . 120 PRO HB3 H 1.474 . 1 1060 . 120 PRO CG C 27.371 . 1 1061 . 120 PRO HG2 H 2.149 . 1 1062 . 120 PRO HG3 H 1.752 . 1 1063 . 120 PRO HD2 H 3.951 . 1 1064 . 120 PRO HD3 H 3.434 . 1 1065 . 120 PRO C C 176.790 . 1 1066 . 121 ARG N N 118.067 . 1 1067 . 121 ARG H H 8.677 . 1 1068 . 121 ARG CA C 54.707 . 1 1069 . 121 ARG CB C 33.566 . 1 1070 . 121 ARG CG C 27.895 . 1 1071 . 121 ARG CD C 44.547 . 1 1072 . 121 ARG C C 178.033 . 1 1073 . 122 TYR N N 125.404 . 1 1074 . 122 TYR H H 9.357 . 1 1075 . 122 TYR CA C 53.152 . 1 1076 . 122 TYR HA H 5.706 . 1 1077 . 122 TYR CB C 37.941 . 1 1078 . 122 TYR HB2 H 3.346 . 1 1079 . 122 TYR HB3 H 3.010 . 1 1080 . 122 TYR HD1 H 6.711 . 3 1081 . 122 TYR HE1 H 6.524 . 3 1082 . 122 TYR C C 178.110 . 1 1083 . 123 PHE N N 121.735 . 1 1084 . 123 PHE H H 9.627 . 1 1085 . 123 PHE CA C 56.113 . 1 1086 . 123 PHE CB C 42.316 . 1 1087 . 123 PHE HD1 H 7.012 . 3 1088 . 123 PHE HE1 H 6.686 . 3 1089 . 123 PHE C C 176.635 . 1 1090 . 124 VAL N N 124.880 . 1 1091 . 124 VAL H H 9.827 . 1 1092 . 124 VAL CA C 60.887 . 1 1093 . 124 VAL HA H 5.111 . 1 1094 . 124 VAL CB C 32.199 . 1 1095 . 124 VAL HB H 2.146 . 1 1096 . 124 VAL HG1 H 0.783 . 1 1097 . 124 VAL HG2 H 0.827 . 1 1098 . 124 VAL CG1 C 21.441 . 1 1099 . 124 VAL CG2 C 21.441 . 1 1100 . 124 VAL C C 178.576 . 1 1101 . 125 ALA N N 129.596 . 1 1102 . 125 ALA H H 9.580 . 1 1103 . 125 ALA CA C 49.543 . 1 1104 . 125 ALA HA H 5.453 . 1 1105 . 125 ALA HB H 1.290 . 1 1106 . 125 ALA CB C 21.957 . 1 1107 . 125 ALA C C 176.402 . 1 1108 . 126 GLY N N 109.681 . 1 1109 . 126 GLY H H 7.973 . 1 1110 . 126 GLY CA C 44.129 . 1 1111 . 126 GLY HA2 H 4.978 . 1 1112 . 126 GLY HA3 H 3.676 . 1 1113 . 126 GLY C C 177.411 . 1 1114 . 127 GLY N N 115.970 . 1 1115 . 127 GLY H H 9.557 . 1 1116 . 127 GLY CA C 46.707 . 1 1117 . 127 GLY HA2 H 4.580 . 1 1118 . 127 GLY HA3 H 3.946 . 1 1119 . 127 GLY C C 176.247 . 1 1120 . 128 THR N N 117.018 . 1 1121 . 128 THR H H 9.311 . 1 1122 . 128 THR CA C 65.012 . 1 1123 . 128 THR HA H 4.117 . 1 1124 . 128 THR CB C 68.105 . 1 1125 . 128 THR HB H 5.059 . 1 1126 . 128 THR HG2 H 1.127 . 1 1127 . 128 THR HG1 H 4.463 . 1 1128 . 128 THR CG2 C 26.082 . 1 1129 . 128 THR C C 175.859 . 1 1130 . 129 GLY N N 112.302 . 1 1131 . 129 GLY H H 8.806 . 1 1132 . 129 GLY CA C 46.965 . 1 1133 . 129 GLY HA2 H 3.834 . 1 1134 . 129 GLY HA3 H 3.362 . 1 1135 . 129 GLY C C 179.042 . 1 1136 . 130 LEU N N 118.067 . 1 1137 . 130 LEU H H 7.973 . 1 1138 . 130 LEU CA C 56.246 . 1 1139 . 130 LEU HA H 3.665 . 1 1140 . 130 LEU CB C 41.496 . 1 1141 . 130 LEU CG C 25.309 . 1 1142 . 130 LEU HG H 0.672 . 1 1143 . 130 LEU HD1 H 0.275 . 1 1144 . 130 LEU HD2 H -0.272 . 1 1145 . 130 LEU CD1 C 21.699 . 1 1146 . 130 LEU CD2 C 25.309 . 1 1147 . 130 LEU C C 174.306 . 1 1148 . 131 ALA N N 119.639 . 1 1149 . 131 ALA H H 8.278 . 1 1150 . 131 ALA CA C 58.051 . 1 1151 . 131 ALA HA H 4.072 . 1 1152 . 131 ALA HB H 1.965 . 1 1153 . 131 ALA CB C 16.285 . 1 1154 . 131 ALA C C 177.088 . 1 1155 . 132 PRO CD C 49.027 . 1 1156 . 132 PRO CA C 65.270 . 1 1157 . 132 PRO HA H 4.756 . 1 1158 . 132 PRO CB C 30.207 . 1 1159 . 132 PRO HB2 H 2.667 . 1 1160 . 132 PRO CG C 29.589 . 1 1161 . 132 PRO HD2 H 4.498 . 1 1162 . 132 PRO HD3 H 3.930 . 1 1163 . 132 PRO C C 173.064 . 1 1164 . 133 VAL N N 116.494 . 1 1165 . 133 VAL H H 6.436 . 1 1166 . 133 VAL CA C 66.816 . 1 1167 . 133 VAL HA H 3.462 . 1 1168 . 133 VAL CB C 31.496 . 1 1169 . 133 VAL HB H 2.211 . 1 1170 . 133 VAL HG1 H 0.618 . 1 1171 . 133 VAL HG2 H 1.215 . 1 1172 . 133 VAL CG1 C 20.926 . 1 1173 . 133 VAL CG2 C 23.246 . 1 1174 . 133 VAL C C 175.393 . 1 1175 . 134 VAL N N 118.591 . 1 1176 . 134 VAL H H 8.994 . 1 1177 . 134 VAL CA C 66.043 . 1 1178 . 134 VAL HA H 3.525 . 1 1179 . 134 VAL CB C 31.496 . 1 1180 . 134 VAL HB H 1.890 . 1 1181 . 134 VAL HG1 H 1.061 . 1 1182 . 134 VAL HG2 H 0.927 . 1 1183 . 134 VAL CG1 C 21.441 . 1 1184 . 134 VAL CG2 C 23.246 . 1 1185 . 134 VAL C C 174.616 . 1 1186 . 135 SER N N 119.115 . 1 1187 . 135 SER H H 7.515 . 1 1188 . 135 SER CA C 62.910 . 1 1189 . 135 SER CB C 64.238 . 1 1190 . 135 SER HB2 H 4.304 . 1 1191 . 135 SER HB3 H 3.980 . 1 1192 . 135 SER C C 174.151 . 1 1193 . 136 MET N N 116.494 . 1 1194 . 136 MET H H 7.574 . 1 1195 . 136 MET CA C 59.980 . 1 1196 . 136 MET CB C 33.293 . 1 1197 . 136 MET CG C 32.473 . 1 1198 . 136 MET C C 173.141 . 1 1199 . 137 VAL N N 120.687 . 1 1200 . 137 VAL H H 8.348 . 1 1201 . 137 VAL CA C 66.816 . 1 1202 . 137 VAL HA H 3.405 . 1 1203 . 137 VAL CB C 31.238 . 1 1204 . 137 VAL HB H 1.587 . 1 1205 . 137 VAL HG1 H 0.778 . 1 1206 . 137 VAL HG2 H 0.130 . 1 1207 . 137 VAL CG1 C 23.246 . 1 1208 . 137 VAL CG2 C 22.988 . 1 1209 . 137 VAL C C 173.452 . 1 1210 . 138 ARG N N 121.735 . 1 1211 . 138 ARG H H 8.959 . 1 1212 . 138 ARG CA C 59.855 . 1 1213 . 138 ARG HA H 3.791 . 1 1214 . 138 ARG CB C 28.145 . 1 1215 . 138 ARG HB2 H 2.046 . 1 1216 . 138 ARG CG C 29.949 . 1 1217 . 138 ARG HG2 H 1.938 . 1 1218 . 138 ARG HG3 H 1.862 . 1 1219 . 138 ARG CD C 43.098 . 1 1220 . 138 ARG HD2 H 3.178 . 1 1221 . 138 ARG C C 171.899 . 1 1222 . 139 GLN N N 123.831 . 1 1223 . 139 GLN H H 8.102 . 1 1224 . 139 GLN CA C 57.793 . 1 1225 . 139 GLN HA H 3.783 . 1 1226 . 139 GLN CB C 27.629 . 1 1227 . 139 GLN HB2 H 0.650 . 1 1228 . 139 GLN CG C 32.785 . 1 1229 . 139 GLN HG2 H 1.283 . 1 1230 . 139 GLN HG3 H 0.601 . 1 1231 . 139 GLN NE2 N 113.296 . 1 1232 . 139 GLN HE21 H 6.700 . 1 1233 . 139 GLN HE22 H 5.687 . 1 1234 . 139 GLN C C 173.607 . 1 1235 . 140 MET N N 120.163 . 1 1236 . 140 MET H H 7.867 . 1 1237 . 140 MET CA C 60.371 . 1 1238 . 140 MET HA H 3.806 . 1 1239 . 140 MET CB C 32.012 . 1 1240 . 140 MET HB2 H 2.273 . 1 1241 . 140 MET CG C 31.105 . 1 1242 . 140 MET C C 173.452 . 1 1243 . 141 GLN N N 121.211 . 1 1244 . 141 GLN H H 8.606 . 1 1245 . 141 GLN CA C 59.340 . 1 1246 . 141 GLN HA H 4.070 . 1 1247 . 141 GLN CB C 27.277 . 1 1248 . 141 GLN CG C 33.816 . 1 1249 . 141 GLN HG2 H 2.321 . 1 1250 . 141 GLN HG3 H 2.246 . 1 1251 . 141 GLN NE2 N 111.273 . 1 1252 . 141 GLN HE21 H 7.387 . 1 1253 . 141 GLN HE22 H 6.736 . 1 1254 . 141 GLN C C 171.744 . 1 1255 . 142 GLU N N 122.783 . 1 1256 . 142 GLU H H 7.867 . 1 1257 . 142 GLU CA C 59.340 . 1 1258 . 142 GLU HA H 3.987 . 1 1259 . 142 GLU CB C 28.918 . 1 1260 . 142 GLU HB2 H 1.927 . 1 1261 . 142 GLU CG C 35.879 . 1 1262 . 142 GLU HG2 H 2.153 . 1 1263 . 142 GLU C C 173.529 . 1 1264 . 143 TRP N N 118.067 . 1 1265 . 143 TRP H H 7.762 . 1 1266 . 143 TRP CA C 54.957 . 1 1267 . 143 TRP HA H 4.895 . 1 1268 . 143 TRP CB C 28.918 . 1 1269 . 143 TRP HB2 H 3.445 . 1 1270 . 143 TRP HB3 H 3.202 . 1 1271 . 143 TRP NE1 N 129.195 . 1 1272 . 143 TRP HD1 H 7.136 . 1 1273 . 143 TRP HE1 H 10.188 . 1 1274 . 143 TRP C C 175.548 . 1 1275 . 144 THR N N 117.018 . 1 1276 . 144 THR H H 8.043 . 1 1277 . 144 THR CA C 61.660 . 1 1278 . 144 THR HA H 3.896 . 1 1279 . 144 THR CB C 67.848 . 1 1280 . 144 THR HB H 4.455 . 1 1281 . 144 THR HG2 H 1.293 . 1 1282 . 144 THR CG2 C 22.988 . 1 1283 . 144 THR C C 177.334 . 1 1284 . 145 ALA N N 123.307 . 1 1285 . 145 ALA H H 8.348 . 1 1286 . 145 ALA CA C 50.574 . 1 1287 . 145 ALA HA H 4.622 . 1 1288 . 145 ALA HB H 1.510 . 1 1289 . 145 ALA CB C 18.605 . 1 1290 . 145 ALA C C 173.238 . 1 1291 . 146 PRO CD C 50.832 . 1 1292 . 146 PRO CA C 63.465 . 1 1293 . 146 PRO HA H 4.521 . 1 1294 . 146 PRO CB C 32.012 . 1 1295 . 146 PRO HB2 H 2.167 . 1 1296 . 146 PRO HB3 H 2.029 . 1 1297 . 146 PRO CG C 26.457 . 1 1298 . 146 PRO HG2 H 1.854 . 1 1299 . 146 PRO HD2 H 4.011 . 1 1300 . 146 PRO HD3 H 3.782 . 1 1301 . 146 PRO C C 175.703 . 1 1302 . 147 ASN N N 115.970 . 1 1303 . 147 ASN H H 8.243 . 1 1304 . 147 ASN CA C 54.441 . 1 1305 . 147 ASN HA H 4.119 . 1 1306 . 147 ASN CB C 36.910 . 1 1307 . 147 ASN HB2 H 2.564 . 1 1308 . 147 ASN HB3 H 1.956 . 1 1309 . 147 ASN ND2 N 115.031 . 1 1310 . 147 ASN HD21 H 8.501 . 1 1311 . 147 ASN HD22 H 7.203 . 1 1312 . 147 ASN C C 176.713 . 1 1313 . 148 GLU N N 129.596 . 1 1314 . 148 GLU H H 9.475 . 1 1315 . 148 GLU CA C 58.566 . 1 1316 . 148 GLU HA H 4.105 . 1 1317 . 148 GLU CB C 28.660 . 1 1318 . 148 GLU HB2 H 2.046 . 1 1319 . 148 GLU CG C 36.074 . 1 1320 . 148 GLU C C 176.635 . 1 1321 . 149 THR N N 124.880 . 1 1322 . 149 THR H H 8.923 . 1 1323 . 149 THR CA C 61.918 . 1 1324 . 149 THR HA H 5.923 . 1 1325 . 149 THR CB C 70.684 . 1 1326 . 149 THR HB H 3.860 . 1 1327 . 149 THR HG2 H 1.373 . 1 1328 . 149 THR HG1 H 4.087 . 1 1329 . 149 THR CG2 C 22.473 . 1 1330 . 149 THR C C 177.334 . 1 1331 . 150 ARG N N 126.452 . 1 1332 . 150 ARG H H 8.853 . 1 1333 . 150 ARG CA C 54.121 . 1 1334 . 150 ARG CB C 34.071 . 1 1335 . 150 ARG CG C 27.551 . 1 1336 . 150 ARG CD C 45.051 . 1 1337 . 150 ARG C C 176.713 . 1 1338 . 151 ILE N N 121.211 . 1 1339 . 151 ILE H H 8.360 . 1 1340 . 151 ILE CA C 60.371 . 1 1341 . 151 ILE HA H 5.047 . 1 1342 . 151 ILE CB C 41.551 . 1 1343 . 151 ILE HB H 1.544 . 1 1344 . 151 ILE HG2 H 0.733 . 1 1345 . 151 ILE CG2 C 16.543 . 1 1346 . 151 ILE CG1 C 26.598 . 1 1347 . 151 ILE HG12 H 1.245 . 1 1348 . 151 ILE HD1 H 0.611 . 1 1349 . 151 ILE CD1 C 13.965 . 1 1350 . 151 ILE C C 178.137 . 1 1351 . 152 TYR N N 129.072 . 1 1352 . 152 TYR H H 9.639 . 1 1353 . 152 TYR CA C 56.504 . 1 1354 . 152 TYR HA H 5.070 . 1 1355 . 152 TYR CB C 39.309 . 1 1356 . 152 TYR HB2 H 3.275 . 1 1357 . 152 TYR HB3 H 2.900 . 1 1358 . 152 TYR HD1 H 7.024 . 3 1359 . 152 TYR HE1 H 6.394 . 3 1360 . 152 TYR C C 178.343 . 1 1361 . 153 PHE N N 126.976 . 1 1362 . 153 PHE H H 8.895 . 1 1363 . 153 PHE CA C 53.152 . 1 1364 . 153 PHE HA H 6.188 . 1 1365 . 153 PHE CB C 42.324 . 1 1366 . 153 PHE HB2 H 2.980 . 1 1367 . 153 PHE HB3 H 2.629 . 1 1368 . 153 PHE HD1 H 7.341 . 3 1369 . 153 PHE HE1 H 6.834 . 3 1370 . 153 PHE C C 178.498 . 1 1371 . 154 GLY N N 115.446 . 1 1372 . 154 GLY H H 8.642 . 1 1373 . 154 GLY CA C 45.160 . 1 1374 . 154 GLY HA2 H 5.307 . 1 1375 . 154 GLY HA3 H 3.471 . 1 1376 . 154 GLY C C 180.595 . 1 1377 . 155 VAL N N 111.253 . 1 1378 . 155 VAL H H 7.468 . 1 1379 . 155 VAL CA C 59.855 . 1 1380 . 155 VAL HA H 4.665 . 1 1381 . 155 VAL CB C 35.879 . 1 1382 . 155 VAL HB H 2.170 . 1 1383 . 155 VAL HG1 H 0.721 . 1 1384 . 155 VAL HG2 H 0.391 . 1 1385 . 155 VAL CG1 C 22.215 . 1 1386 . 155 VAL CG2 C 18.605 . 1 1387 . 155 VAL C C 173.452 . 1 1388 . 156 ASN N N 119.639 . 1 1389 . 156 ASN H H 9.228 . 1 1390 . 156 ASN CA C 57.277 . 1 1391 . 156 ASN HA H 4.706 . 1 1392 . 156 ASN CB C 38.973 . 1 1393 . 156 ASN HB2 H 3.719 . 1 1394 . 156 ASN HB3 H 3.171 . 1 1395 . 156 ASN C C 176.946 . 1 1396 . 157 THR N N 105.489 . 1 1397 . 157 THR H H 6.917 . 1 1398 . 157 THR CA C 60.113 . 1 1399 . 157 THR HA H 4.398 . 1 1400 . 157 THR CB C 73.004 . 1 1401 . 157 THR HB H 4.291 . 1 1402 . 157 THR HG2 H 1.246 . 1 1403 . 157 THR HG1 H 4.340 . 1 1404 . 157 THR CG2 C 22.215 . 1 1405 . 157 THR C C 177.877 . 1 1406 . 158 GLU N N 122.783 . 1 1407 . 158 GLU H H 10.296 . 1 1408 . 158 GLU CA C 61.660 . 1 1409 . 158 GLU HA H 3.669 . 1 1410 . 158 GLU CB C 26.855 . 1 1411 . 158 GLU HB2 H 2.010 . 1 1412 . 158 GLU CG C 38.199 . 1 1413 . 158 GLU HG2 H 2.268 . 1 1414 . 158 GLU HG3 H 1.956 . 1 1415 . 158 GLU C C 174.828 . 1 1416 . 159 PRO N N 126.204 . 1 1417 . 159 PRO CD C 50.316 . 1 1418 . 159 PRO CA C 65.270 . 1 1419 . 159 PRO HA H 4.550 . 1 1420 . 159 PRO CB C 30.980 . 1 1421 . 159 PRO HB2 H 2.497 . 1 1422 . 159 PRO HB3 H 1.773 . 1 1423 . 159 PRO CG C 28.145 . 1 1424 . 159 PRO HG2 H 2.021 . 1 1425 . 159 PRO HD2 H 3.784 . 1 1426 . 159 PRO C C 175.005 . 1 1427 . 160 GLU N N 113.874 . 1 1428 . 160 GLU H H 7.433 . 1 1429 . 160 GLU CA C 56.465 . 1 1430 . 160 GLU CB C 31.652 . 1 1431 . 160 GLU CG C 37.668 . 1 1432 . 160 GLU C C 174.539 . 1 1433 . 161 LEU N N 123.307 . 1 1434 . 161 LEU H H 7.832 . 1 1435 . 161 LEU CA C 57.020 . 1 1436 . 161 LEU HA H 3.890 . 1 1437 . 161 LEU CB C 43.355 . 1 1438 . 161 LEU HB2 H 1.822 . 1 1439 . 161 LEU HB3 H 1.446 . 1 1440 . 161 LEU HD1 H 0.630 . 1 1441 . 161 LEU HD2 H 0.687 . 1 1442 . 161 LEU CD1 C 24.535 . 1 1443 . 161 LEU CD2 C 25.824 . 1 1444 . 161 LEU C C 177.411 . 1 1445 . 162 PHE N N 113.350 . 1 1446 . 162 PHE H H 6.588 . 1 1447 . 162 PHE CA C 54.184 . 1 1448 . 162 PHE HA H 5.102 . 1 1449 . 162 PHE CB C 42.324 . 1 1450 . 162 PHE HB2 H 3.251 . 1 1451 . 162 PHE HB3 H 2.992 . 1 1452 . 162 PHE HD1 H 7.381 . 3 1453 . 162 PHE HE1 H 7.037 . 3 1454 . 162 PHE C C 180.051 . 1 1455 . 163 TYR N N 116.494 . 1 1456 . 163 TYR H H 9.264 . 1 1457 . 163 TYR CA C 59.746 . 1 1458 . 163 TYR HA H 4.587 . 1 1459 . 163 TYR CB C 40.676 . 1 1460 . 163 TYR HB2 H 3.032 . 1 1461 . 163 TYR HB3 H 2.838 . 1 1462 . 163 TYR HD1 H 7.023 . 3 1463 . 163 TYR HE1 H 6.710 . 3 1464 . 163 TYR C C 174.383 . 1 1465 . 164 ILE N N 119.115 . 1 1466 . 164 ILE H H 7.738 . 1 1467 . 164 ILE CA C 62.691 . 1 1468 . 164 ILE HA H 3.739 . 1 1469 . 164 ILE CB C 34.848 . 1 1470 . 164 ILE HB H 2.095 . 1 1471 . 164 ILE CG1 C 27.113 . 1 1472 . 164 ILE HG12 H 1.684 . 1 1473 . 164 ILE HG13 H 1.538 . 1 1474 . 164 ILE HD1 H 0.939 . 1 1475 . 164 ILE CD1 C 17.316 . 1 1476 . 164 ILE C C 173.064 . 1 1477 . 165 ASP N N 120.163 . 1 1478 . 165 ASP H H 8.560 . 1 1479 . 165 ASP CA C 57.535 . 1 1480 . 165 ASP HA H 4.286 . 1 1481 . 165 ASP CB C 39.488 . 1 1482 . 165 ASP HB2 H 2.462 . 1 1483 . 165 ASP C C 172.460 . 1 1484 . 166 GLU N N 123.831 . 1 1485 . 166 GLU H H 8.853 . 1 1486 . 166 GLU CA C 60.371 . 1 1487 . 166 GLU HA H 3.661 . 1 1488 . 166 GLU CB C 28.660 . 1 1489 . 166 GLU HB2 H 1.265 . 1 1490 . 166 GLU HB3 H 0.970 . 1 1491 . 166 GLU CG C 36.137 . 1 1492 . 166 GLU HG2 H 1.606 . 1 1493 . 166 GLU HG3 H 1.513 . 1 1494 . 167 LEU N N 121.211 . 1 1495 . 167 LEU H H 8.454 . 1 1496 . 167 LEU CA C 57.793 . 1 1497 . 167 LEU HA H 3.791 . 1 1498 . 167 LEU CB C 41.551 . 1 1499 . 167 LEU HB2 H 2.136 . 1 1500 . 167 LEU HG H 1.925 . 1 1501 . 167 LEU HD1 H 0.649 . 1 1502 . 167 LEU HD2 H 0.708 . 1 1503 . 167 LEU CD1 C 25.309 . 1 1504 . 167 LEU CD2 C 22.215 . 1 1505 . 167 LEU C C 172.675 . 1 1506 . 168 LYS N N 120.163 . 1 1507 . 168 LYS H H 8.466 . 1 1508 . 168 LYS CA C 58.824 . 1 1509 . 168 LYS HA H 4.199 . 1 1510 . 168 LYS CB C 31.754 . 1 1511 . 168 LYS HB2 H 1.976 . 1 1512 . 168 LYS HB3 H 1.826 . 1 1513 . 168 LYS CG C 25.309 . 1 1514 . 168 LYS HG2 H 1.657 . 1 1515 . 168 LYS HG3 H 1.498 . 1 1516 . 168 LYS CD C 28.402 . 1 1517 . 168 LYS HD2 H 1.658 . 1 1518 . 168 LYS CE C 41.809 . 1 1519 . 168 LYS HE2 H 2.879 . 1 1520 . 168 LYS C C 171.899 . 1 1521 . 169 SER N N 115.970 . 1 1522 . 169 SER H H 7.985 . 1 1523 . 169 SER CA C 61.402 . 1 1524 . 169 SER HA H 4.110 . 1 1525 . 169 SER CB C 62.176 . 1 1526 . 169 SER HB2 H 3.901 . 1 1527 . 169 SER C C 173.995 . 1 1528 . 170 LEU N N 124.356 . 1 1529 . 170 LEU H H 7.562 . 1 1530 . 170 LEU CA C 58.051 . 1 1531 . 170 LEU HA H 3.988 . 1 1532 . 170 LEU CB C 41.551 . 1 1533 . 170 LEU HB2 H 1.782 . 1 1534 . 170 LEU HB3 H 1.302 . 1 1535 . 170 LEU CG C 26.855 . 1 1536 . 170 LEU HG H 1.564 . 1 1537 . 170 LEU HD1 H 0.690 . 1 1538 . 170 LEU HD2 H 0.692 . 1 1539 . 170 LEU CD1 C 24.535 . 1 1540 . 170 LEU CD2 C 23.762 . 1 1541 . 170 LEU C C 173.452 . 1 1542 . 171 GLU N N 120.163 . 1 1543 . 171 GLU H H 8.090 . 1 1544 . 171 GLU CA C 59.855 . 1 1545 . 171 GLU HA H 3.788 . 1 1546 . 171 GLU CB C 30.465 . 1 1547 . 171 GLU HB2 H 2.139 . 1 1548 . 171 GLU CG C 37.684 . 1 1549 . 171 GLU HG2 H 2.426 . 1 1550 . 171 GLU HG3 H 2.131 . 1 1551 . 171 GLU C C 173.607 . 1 1552 . 172 ARG N N 115.970 . 1 1553 . 172 ARG H H 7.715 . 1 1554 . 172 ARG CA C 57.793 . 1 1555 . 172 ARG HA H 4.140 . 1 1556 . 172 ARG CB C 30.465 . 1 1557 . 172 ARG HB2 H 1.911 . 1 1558 . 172 ARG CG C 27.887 . 1 1559 . 172 ARG HG2 H 1.850 . 1 1560 . 172 ARG HG3 H 1.650 . 1 1561 . 172 ARG CD C 43.355 . 1 1562 . 172 ARG HD2 H 3.231 . 1 1563 . 172 ARG HD3 H 3.174 . 1 1564 . 172 ARG C C 173.918 . 1 1565 . 173 SER N N 113.350 . 1 1566 . 173 SER H H 7.586 . 1 1567 . 173 SER CA C 59.340 . 1 1568 . 173 SER HA H 4.457 . 1 1569 . 173 SER CB C 64.238 . 1 1570 . 173 SER HB2 H 3.915 . 1 1571 . 173 SER HB3 H 3.853 . 1 1572 . 173 SER C C 177.334 . 1 1573 . 174 MET N N 123.831 . 1 1574 . 174 MET H H 7.879 . 1 1575 . 174 MET CA C 55.473 . 1 1576 . 174 MET HA H 4.559 . 1 1577 . 174 MET CB C 34.332 . 1 1578 . 174 MET HB2 H 2.159 . 1 1579 . 174 MET HB3 H 1.842 . 1 1580 . 174 MET CG C 33.043 . 1 1581 . 174 MET HG2 H 2.588 . 1 1582 . 174 MET HG3 H 2.344 . 1 1583 . 174 MET C C 176.169 . 1 1584 . 175 ARG N N 123.307 . 1 1585 . 175 ARG H H 8.862 . 1 1586 . 175 ARG CA C 58.309 . 1 1587 . 175 ARG HA H 4.196 . 1 1588 . 175 ARG CB C 29.434 . 1 1589 . 175 ARG HB2 H 1.884 . 1 1590 . 175 ARG CG C 26.855 . 1 1591 . 175 ARG HG2 H 1.697 . 1 1592 . 175 ARG CD C 42.840 . 1 1593 . 175 ARG HD2 H 3.220 . 1 1594 . 175 ARG C C 174.461 . 1 1595 . 176 ASN N N 114.922 . 1 1596 . 176 ASN H H 8.888 . 1 1597 . 176 ASN CA C 52.637 . 1 1598 . 176 ASN HA H 4.789 . 1 1599 . 176 ASN CB C 36.910 . 1 1600 . 176 ASN HB2 H 2.803 . 1 1601 . 176 ASN ND2 N 114.452 . 1 1602 . 176 ASN HD21 H 7.798 . 1 1603 . 176 ASN HD22 H 7.009 . 1 1604 . 176 ASN C C 179.508 . 1 1605 . 177 LEU N N 124.356 . 1 1606 . 177 LEU H H 8.196 . 1 1607 . 177 LEU CA C 53.668 . 1 1608 . 177 LEU HA H 5.380 . 1 1609 . 177 LEU CB C 44.902 . 1 1610 . 177 LEU HB2 H 1.930 . 1 1611 . 177 LEU HB3 H 1.246 . 1 1612 . 177 LEU CG C 21.189 . 1 1613 . 177 LEU HD1 H 0.652 . 1 1614 . 177 LEU HD2 H 0.707 . 1 1615 . 177 LEU CD1 C 26.184 . 1 1616 . 177 LEU CD2 C 24.277 . 1 1617 . 177 LEU C C 176.480 . 1 1618 . 178 THR N N 120.687 . 1 1619 . 178 THR H H 8.020 . 1 1620 . 178 THR CA C 61.918 . 1 1621 . 178 THR HA H 4.712 . 1 1622 . 178 THR CB C 71.457 . 1 1623 . 178 THR HB H 3.709 . 1 1624 . 178 THR HG2 H 1.056 . 1 1625 . 178 THR CG2 C 20.668 . 1 1626 . 178 THR C C 178.576 . 1 1627 . 179 VAL N N 128.024 . 1 1628 . 179 VAL H H 8.876 . 1 1629 . 179 VAL CA C 60.887 . 1 1630 . 179 VAL HA H 4.497 . 1 1631 . 179 VAL CB C 33.293 . 1 1632 . 179 VAL HB H 1.771 . 1 1633 . 179 VAL HG1 H 0.763 . 1 1634 . 179 VAL HG2 H 0.684 . 1 1635 . 179 VAL CG1 C 21.441 . 1 1636 . 179 VAL CG2 C 21.699 . 1 1637 . 179 VAL C C 176.868 . 1 1638 . 180 LYS N N 129.072 . 1 1639 . 180 LYS H H 8.994 . 1 1640 . 180 LYS CA C 55.473 . 1 1641 . 180 LYS HA H 4.617 . 1 1642 . 180 LYS CB C 34.074 . 1 1643 . 180 LYS HB2 H 1.495 . 1 1644 . 180 LYS CG C 25.309 . 1 1645 . 180 LYS HG2 H 1.194 . 1 1646 . 180 LYS HG3 H 1.098 . 1 1647 . 180 LYS CD C 29.691 . 1 1648 . 180 LYS HD2 H 1.492 . 1 1649 . 180 LYS CE C 41.551 . 1 1650 . 180 LYS HE2 H 2.804 . 1 1651 . 180 LYS C C 178.188 . 1 1652 . 181 ALA N N 129.072 . 1 1653 . 181 ALA H H 8.736 . 1 1654 . 181 ALA CA C 50.574 . 1 1655 . 181 ALA HA H 5.387 . 1 1656 . 181 ALA HB H 1.450 . 1 1657 . 181 ALA CB C 19.379 . 1 1658 . 181 ALA C C 175.470 . 1 1659 . 182 CYS N N 121.735 . 1 1660 . 182 CYS H H 9.369 . 1 1661 . 182 CYS CA C 56.504 . 1 1662 . 182 CYS HA H 4.973 . 1 1663 . 182 CYS CB C 29.691 . 1 1664 . 182 CYS HB2 H 2.613 . 1 1665 . 182 CYS HG H 2.017 . 1 1666 . 182 CYS C C 178.576 . 1 1667 . 183 VAL N N 122.259 . 1 1668 . 183 VAL H H 7.644 . 1 1669 . 183 VAL CA C 60.113 . 1 1670 . 183 VAL HA H 4.217 . 1 1671 . 183 VAL CB C 33.816 . 1 1672 . 183 VAL HB H 0.863 . 1 1673 . 183 VAL HG1 H 0.186 . 1 1674 . 183 VAL HG2 H -0.356 . 1 1675 . 183 VAL CG1 C 22.215 . 1 1676 . 183 VAL CG2 C 21.184 . 1 1677 . 183 VAL C C 176.014 . 1 1678 . 184 TRP N N 131.169 . 1 1679 . 184 TRP H H 8.384 . 1 1680 . 184 TRP CA C 59.082 . 1 1681 . 184 TRP HA H 4.704 . 1 1682 . 184 TRP CB C 30.723 . 1 1683 . 184 TRP HB2 H 3.108 . 1 1684 . 184 TRP NE1 N 129.484 . 1 1685 . 184 TRP HD1 H 6.794 . 1 1686 . 184 TRP HE1 H 10.099 . 1 1687 . 184 TRP HZ2 H 7.531 . 1 1688 . 184 TRP C C 175.160 . 1 1689 . 185 HIS N N 114.398 . 1 1690 . 185 HIS H H 8.606 . 1 1691 . 185 HIS CA C 51.863 . 1 1692 . 185 HIS HA H 5.197 . 1 1693 . 185 HIS CB C 28.660 . 1 1694 . 185 HIS HB2 H 2.991 . 1 1695 . 185 HIS C C 180.205 . 1 1696 . 186 PRO CD C 50.059 . 1 1697 . 186 PRO CA C 62.949 . 1 1698 . 186 PRO HA H 4.540 . 1 1699 . 186 PRO CB C 32.785 . 1 1700 . 186 PRO HB2 H 2.427 . 1 1701 . 186 PRO HB3 H 1.790 . 1 1702 . 186 PRO CG C 26.855 . 1 1703 . 186 PRO HG2 H 2.151 . 1 1704 . 186 PRO HG3 H 1.834 . 1 1705 . 186 PRO HD2 H 3.632 . 1 1706 . 186 PRO C C 174.461 . 1 1707 . 187 SER N N 119.115 . 1 1708 . 187 SER H H 9.639 . 1 1709 . 187 SER CA C 58.309 . 1 1710 . 187 SER HA H 4.671 . 1 1711 . 187 SER CB C 64.754 . 1 1712 . 187 SER HB2 H 4.143 . 1 1713 . 187 SER HB3 H 4.018 . 1 1714 . 187 SER C C 175.936 . 1 1715 . 188 GLY N N 110.205 . 1 1716 . 188 GLY H H 8.829 . 1 1717 . 188 GLY CA C 45.934 . 1 1718 . 188 GLY HA2 H 4.144 . 1 1719 . 188 GLY HA3 H 3.904 . 1 1720 . 188 GLY C C 177.644 . 1 1721 . 189 ASP N N 120.163 . 1 1722 . 189 ASP H H 8.137 . 1 1723 . 189 ASP CA C 53.926 . 1 1724 . 189 ASP HA H 4.741 . 1 1725 . 189 ASP CB C 40.777 . 1 1726 . 189 ASP HB2 H 2.764 . 1 1727 . 189 ASP HB3 H 2.619 . 1 1728 . 189 ASP C C 175.859 . 1 1729 . 190 TRP N N 122.783 . 1 1730 . 190 TRP H H 7.468 . 1 1731 . 190 TRP CA C 57.020 . 1 1732 . 190 TRP HA H 4.814 . 1 1733 . 190 TRP CB C 31.238 . 1 1734 . 190 TRP HB2 H 3.550 . 1 1735 . 190 TRP HB3 H 3.075 . 1 1736 . 190 TRP HD1 H 6.821 . 1 1737 . 190 TRP HE3 H 7.770 . 1 1738 . 190 TRP HE1 H 10.243 . 1 1739 . 190 TRP C C 175.005 . 1 1740 . 191 GLU N N 127.500 . 1 1741 . 191 GLU H H 8.208 . 1 1742 . 191 GLU CA C 55.203 . 1 1743 . 191 GLU C C 175.958 . 1 1744 . 192 GLY N N 110.699 . 1 1745 . 192 GLY H H 8.264 . 1 1746 . 192 GLY CA C 43.871 . 1 1747 . 192 GLY HA2 H 4.055 . 1 1748 . 192 GLY HA3 H 3.102 . 1 1749 . 192 GLY C C 178.654 . 1 1750 . 193 GLU N N 120.163 . 1 1751 . 193 GLU H H 8.548 . 1 1752 . 193 GLU CA C 56.504 . 1 1753 . 193 GLU HA H 4.348 . 1 1754 . 193 GLU CB C 29.691 . 1 1755 . 193 GLU HB2 H 2.212 . 1 1756 . 193 GLU CG C 35.621 . 1 1757 . 193 GLU HG2 H 2.339 . 1 1758 . 193 GLU HG3 H 2.237 . 1 1759 . 193 GLU C C 174.306 . 1 1760 . 194 GLN N N 125.928 . 1 1761 . 194 GLN H H 9.088 . 1 1762 . 194 GLN CA C 54.184 . 1 1763 . 194 GLN HA H 5.306 . 1 1764 . 194 GLN CB C 30.465 . 1 1765 . 194 GLN HB2 H 2.245 . 1 1766 . 194 GLN HB3 H 2.139 . 1 1767 . 194 GLN CG C 33.816 . 1 1768 . 194 GLN HG2 H 2.541 . 1 1769 . 194 GLN HG3 H 2.408 . 1 1770 . 194 GLN C C 176.324 . 1 1771 . 195 GLY N N 111.253 . 1 1772 . 195 GLY H H 8.114 . 1 1773 . 195 GLY CA C 43.871 . 1 1774 . 195 GLY HA2 H 4.662 . 1 1775 . 195 GLY HA3 H 3.862 . 1 1776 . 195 GLY C C 179.120 . 1 1777 . 196 SER N N 117.018 . 1 1778 . 196 SER H H 8.736 . 1 1779 . 196 SER CA C 54.699 . 1 1780 . 196 SER HA H 4.207 . 1 1781 . 196 SER CB C 62.949 . 1 1782 . 196 SER HB2 H 3.456 . 1 1783 . 196 SER HB3 H 2.787 . 1 1784 . 196 SER C C 176.983 . 1 1785 . 197 PRO CA C 64.496 . 1 1786 . 197 PRO HA H 4.627 . 1 1787 . 197 PRO CB C 32.785 . 1 1788 . 197 PRO HB2 H 2.017 . 1 1789 . 197 PRO CG C 27.011 . 1 1790 . 197 PRO HG2 H 1.798 . 1 1791 . 197 PRO C C 174.694 . 1 1792 . 198 ILE N N 114.398 . 1 1793 . 198 ILE H H 7.234 . 1 1794 . 198 ILE CA C 62.691 . 1 1795 . 198 ILE HA H 3.513 . 1 1796 . 198 ILE CB C 35.879 . 1 1797 . 198 ILE HB H 1.853 . 1 1798 . 198 ILE HG2 H 0.761 . 1 1799 . 198 ILE CG2 C 18.348 . 1 1800 . 198 ILE CG1 C 27.887 . 1 1801 . 198 ILE HG12 H 1.212 . 1 1802 . 198 ILE HD1 H 0.631 . 1 1803 . 198 ILE CD1 C 12.676 . 1 1804 . 198 ILE C C 175.005 . 1 1805 . 199 ASP N N 122.259 . 1 1806 . 199 ASP H H 7.245 . 1 1807 . 199 ASP CA C 57.277 . 1 1808 . 199 ASP HA H 4.316 . 1 1809 . 199 ASP CB C 40.520 . 1 1810 . 199 ASP HB2 H 2.855 . 1 1811 . 199 ASP C C 173.918 . 1 1812 . 200 ALA N N 122.259 . 1 1813 . 200 ALA H H 6.752 . 1 1814 . 200 ALA CA C 54.699 . 1 1815 . 200 ALA HA H 4.158 . 1 1816 . 200 ALA HB H 1.437 . 1 1817 . 200 ALA CB C 18.090 . 1 1818 . 200 ALA C C 172.675 . 1 1819 . 201 LEU N N 120.163 . 1 1820 . 201 LEU H H 7.562 . 1 1821 . 201 LEU CA C 57.535 . 1 1822 . 201 LEU HA H 3.437 . 1 1823 . 201 LEU CB C 41.293 . 1 1824 . 201 LEU HB2 H 1.529 . 1 1825 . 201 LEU HD1 H 0.665 . 1 1826 . 201 LEU HD2 H 0.593 . 1 1827 . 201 LEU CD1 C 23.246 . 1 1828 . 201 LEU CD2 C 25.566 . 1 1829 . 201 LEU C C 174.228 . 1 1830 . 202 ARG N N 119.115 . 1 1831 . 202 ARG H H 8.219 . 1 1832 . 202 ARG CA C 60.371 . 1 1833 . 202 ARG HA H 3.558 . 1 1834 . 202 ARG CB C 28.632 . 1 1835 . 202 ARG HB2 H 2.043 . 1 1836 . 202 ARG HB3 H 1.887 . 1 1837 . 202 ARG CG C 27.113 . 1 1838 . 202 ARG HG2 H 1.465 . 1 1839 . 202 ARG CD C 42.582 . 1 1840 . 202 ARG HD2 H 3.249 . 1 1841 . 202 ARG C C 173.840 . 1 1842 . 203 GLU N N 117.018 . 1 1843 . 203 GLU H H 7.503 . 1 1844 . 203 GLU CA C 58.824 . 1 1845 . 203 GLU HA H 4.059 . 1 1846 . 203 GLU CB C 28.918 . 1 1847 . 203 GLU HB2 H 2.027 . 1 1848 . 203 GLU CG C 35.621 . 1 1849 . 203 GLU HG2 H 2.258 . 1 1850 . 203 GLU C C 172.287 . 1 1851 . 204 ASP N N 120.163 . 1 1852 . 204 ASP H H 7.691 . 1 1853 . 204 ASP CA C 56.762 . 1 1854 . 204 ASP HA H 4.577 . 1 1855 . 204 ASP CB C 39.488 . 1 1856 . 204 ASP HB2 H 2.857 . 1 1857 . 204 ASP HB3 H 2.593 . 1 1858 . 204 ASP C C 172.209 . 1 1859 . 205 LEU N N 121.735 . 1 1860 . 205 LEU H H 8.677 . 1 1861 . 205 LEU CA C 57.020 . 1 1862 . 205 LEU HA H 4.308 . 1 1863 . 205 LEU CB C 41.293 . 1 1864 . 205 LEU HB2 H 1.856 . 1 1865 . 205 LEU HB3 H 1.433 . 1 1866 . 205 LEU CG C 26.082 . 1 1867 . 205 LEU HG H 1.945 . 1 1868 . 205 LEU HD1 H 0.830 . 1 1869 . 205 LEU HD2 H 0.652 . 1 1870 . 205 LEU CD1 C 21.957 . 1 1871 . 205 LEU CD2 C 25.824 . 1 1872 . 205 LEU C C 172.753 . 1 1873 . 206 GLU N N 117.542 . 1 1874 . 206 GLU H H 7.926 . 1 1875 . 206 GLU CA C 58.309 . 1 1876 . 206 GLU HA H 4.102 . 1 1877 . 206 GLU CB C 29.434 . 1 1878 . 206 GLU HB2 H 2.073 . 1 1879 . 206 GLU CG C 36.652 . 1 1880 . 206 GLU HG2 H 2.481 . 1 1881 . 206 GLU HG3 H 2.257 . 1 1882 . 206 GLU C C 173.995 . 1 1883 . 207 SER N N 112.826 . 1 1884 . 207 SER H H 7.633 . 1 1885 . 207 SER CA C 58.309 . 1 1886 . 207 SER HA H 4.580 . 1 1887 . 207 SER CB C 63.980 . 1 1888 . 207 SER HB2 H 4.047 . 1 1889 . 207 SER HB3 H 3.984 . 1 1890 . 207 SER C C 177.722 . 1 1891 . 208 SER N N 115.970 . 1 1892 . 208 SER H H 7.562 . 1 1893 . 208 SER CA C 57.535 . 1 1894 . 208 SER HA H 4.711 . 1 1895 . 208 SER CB C 65.270 . 1 1896 . 208 SER HB2 H 4.000 . 1 1897 . 208 SER HB3 H 3.882 . 1 1898 . 208 SER C C 178.033 . 1 1899 . 209 ASP N N 123.307 . 1 1900 . 209 ASP H H 8.384 . 1 1901 . 209 ASP CA C 53.410 . 1 1902 . 209 ASP HA H 4.763 . 1 1903 . 209 ASP CB C 40.520 . 1 1904 . 209 ASP HB2 H 2.713 . 1 1905 . 209 ASP C C 175.854 . 1 1906 . 210 ALA N N 122.783 . 1 1907 . 210 ALA H H 7.926 . 1 1908 . 210 ALA CA C 52.637 . 1 1909 . 210 ALA HA H 4.155 . 1 1910 . 210 ALA HB H 1.280 . 1 1911 . 210 ALA CB C 20.152 . 1 1912 . 210 ALA C C 175.312 . 1 1913 . 211 ASN N N 118.591 . 1 1914 . 211 ASN H H 8.653 . 1 1915 . 211 ASN CA C 50.574 . 1 1916 . 211 ASN HA H 4.988 . 1 1917 . 211 ASN CB C 38.715 . 1 1918 . 211 ASN HB2 H 2.850 . 1 1919 . 211 ASN HB3 H 2.539 . 1 1920 . 211 ASN ND2 N 112.718 . 1 1921 . 211 ASN HD21 H 7.621 . 1 1922 . 211 ASN HD22 H 7.177 . 1 1923 . 211 ASN C C 179.557 . 1 1924 . 212 PRO CD C 49.543 . 1 1925 . 212 PRO CA C 62.090 . 1 1926 . 212 PRO CB C 31.105 . 1 1927 . 212 PRO CG C 25.824 . 1 1928 . 212 PRO HG2 H 1.390 . 1 1929 . 212 PRO HD2 H 3.315 . 1 1930 . 212 PRO HD3 H 3.151 . 1 1931 . 212 PRO C C 175.470 . 1 1932 . 213 ASP N N 118.067 . 1 1933 . 213 ASP H H 8.020 . 1 1934 . 213 ASP CA C 54.441 . 1 1935 . 213 ASP HA H 5.304 . 1 1936 . 213 ASP CB C 42.582 . 1 1937 . 213 ASP HB2 H 2.532 . 1 1938 . 213 ASP C C 176.480 . 1 1939 . 214 ILE N N 123.831 . 1 1940 . 214 ILE H H 8.970 . 1 1941 . 214 ILE CA C 59.340 . 1 1942 . 214 ILE HA H 5.025 . 1 1943 . 214 ILE CB C 39.746 . 1 1944 . 214 ILE HB H 1.757 . 1 1945 . 214 ILE HG2 H 0.774 . 1 1946 . 214 ILE CG2 C 17.316 . 1 1947 . 214 ILE CG1 C 27.113 . 1 1948 . 214 ILE HG12 H 1.006 . 1 1949 . 214 ILE HG13 H 0.743 . 1 1950 . 214 ILE HD1 H 0.741 . 1 1951 . 214 ILE CD1 C 13.449 . 1 1952 . 214 ILE C C 178.809 . 1 1953 . 215 TYR N N 126.452 . 1 1954 . 215 TYR H H 9.052 . 1 1955 . 215 TYR CA C 56.246 . 1 1956 . 215 TYR HA H 5.660 . 1 1957 . 215 TYR CB C 42.066 . 1 1958 . 215 TYR HB2 H 3.025 . 1 1959 . 215 TYR HB3 H 2.838 . 1 1960 . 215 TYR HD1 H 6.525 . 3 1961 . 215 TYR HE1 H 5.722 . 3 1962 . 215 TYR C C 176.014 . 1 1963 . 216 LEU N N 122.259 . 1 1964 . 216 LEU H H 9.299 . 1 1965 . 216 LEU CA C 53.152 . 1 1966 . 216 LEU HA H 5.491 . 1 1967 . 216 LEU CB C 46.707 . 1 1968 . 216 LEU HB2 H 2.006 . 1 1969 . 216 LEU CG C 26.598 . 1 1970 . 216 LEU HG H 1.673 . 1 1971 . 216 LEU HD1 H 0.781 . 1 1972 . 216 LEU HD2 H 0.638 . 1 1973 . 216 LEU CD1 C 28.145 . 1 1974 . 216 LEU CD2 C 26.598 . 1 1975 . 216 LEU C C 175.703 . 1 1976 . 217 CYS N N 120.687 . 1 1977 . 217 CYS H H 8.900 . 1 1978 . 217 CYS CA C 58.051 . 1 1979 . 217 CYS HA H 4.984 . 1 1980 . 217 CYS CB C 31.238 . 1 1981 . 217 CYS HB2 H 2.729 . 1 1982 . 217 CYS HG H 1.592 . 1 1983 . 217 CYS C C 178.667 . 1 1984 . 218 GLY N N 114.398 . 1 1985 . 218 GLY H H 7.304 . 1 1986 . 218 GLY CA C 43.098 . 1 1987 . 218 GLY HA2 H 4.647 . 1 1988 . 218 GLY HA3 H 4.259 . 1 1989 . 218 GLY C C 178.762 . 1 1990 . 219 PRO CA C 61.402 . 1 1991 . 219 PRO HA H 5.022 . 1 1992 . 219 PRO CB C 28.145 . 1 1993 . 219 PRO HB2 H 2.322 . 1 1994 . 219 PRO HB3 H 1.846 . 1 1995 . 220 PRO CD C 51.090 . 1 1996 . 220 PRO CA C 66.043 . 1 1997 . 220 PRO HA H 3.823 . 1 1998 . 220 PRO CB C 32.270 . 1 1999 . 220 PRO HB2 H 2.171 . 1 2000 . 220 PRO CG C 28.145 . 1 2001 . 220 PRO HG2 H 1.848 . 1 2002 . 220 PRO HD2 H 4.105 . 1 2003 . 220 PRO C C 174.228 . 1 2004 . 221 GLY N N 105.489 . 1 2005 . 221 GLY H H 9.111 . 1 2006 . 221 GLY CA C 46.965 . 1 2007 . 221 GLY HA2 H 4.023 . 1 2008 . 221 GLY HA3 H 3.820 . 1 2009 . 221 GLY C C 174.793 . 1 2010 . 222 MET N N 120.163 . 1 2011 . 222 MET H H 6.471 . 1 2012 . 222 MET CA C 57.793 . 1 2013 . 222 MET HA H 2.450 . 1 2014 . 222 MET CB C 33.301 . 1 2015 . 222 MET HB2 H 1.443 . 1 2016 . 222 MET CG C 31.754 . 1 2017 . 222 MET HG2 H 1.886 . 1 2018 . 222 MET HG3 H 1.632 . 1 2019 . 222 MET C C 174.849 . 1 2020 . 223 ILE N N 120.163 . 1 2021 . 223 ILE H H 7.126 . 1 2022 . 223 ILE CA C 64.754 . 1 2023 . 223 ILE HA H 3.167 . 1 2024 . 223 ILE CB C 36.652 . 1 2025 . 223 ILE HB H 1.620 . 1 2026 . 223 ILE HG2 H 0.158 . 1 2027 . 223 ILE CG2 C 18.090 . 1 2028 . 223 ILE CG1 C 30.723 . 1 2029 . 223 ILE HG12 H 1.138 . 1 2030 . 223 ILE HG13 H 0.892 . 1 2031 . 223 ILE HD1 H 0.482 . 1 2032 . 223 ILE CD1 C 13.965 . 1 2033 . 223 ILE C C 174.383 . 1 2034 . 224 ASP N N 121.735 . 1 2035 . 224 ASP H H 8.466 . 1 2036 . 224 ASP CA C 57.793 . 1 2037 . 224 ASP HA H 4.080 . 1 2038 . 224 ASP CB C 39.230 . 1 2039 . 224 ASP HB2 H 2.602 . 1 2040 . 224 ASP HB3 H 2.467 . 1 2041 . 224 ASP C C 172.831 . 1 2042 . 225 ALA N N 122.259 . 1 2043 . 225 ALA H H 7.316 . 1 2044 . 225 ALA CA C 54.441 . 1 2045 . 225 ALA HA H 4.150 . 1 2046 . 225 ALA HB H 1.485 . 1 2047 . 225 ALA CB C 18.605 . 1 2048 . 225 ALA C C 170.734 . 1 2049 . 226 ALA N N 122.259 . 1 2050 . 226 ALA H H 8.313 . 1 2051 . 226 ALA CA C 54.699 . 1 2052 . 226 ALA HA H 3.852 . 1 2053 . 226 ALA HB H 1.296 . 1 2054 . 226 ALA CB C 19.637 . 1 2055 . 226 ALA C C 172.675 . 1 2056 . 227 CYS N N 117.018 . 1 2057 . 227 CYS H H 8.626 . 1 2058 . 227 CYS CA C 64.754 . 1 2059 . 227 CYS HA H 3.902 . 1 2060 . 227 CYS CB C 26.082 . 1 2061 . 227 CYS HB2 H 2.898 . 1 2062 . 227 CYS HB3 H 2.686 . 1 2063 . 227 CYS C C 174.616 . 1 2064 . 228 GLU N N 120.163 . 1 2065 . 228 GLU H H 7.421 . 1 2066 . 228 GLU CA C 59.082 . 1 2067 . 228 GLU HA H 3.987 . 1 2068 . 228 GLU CB C 29.176 . 1 2069 . 228 GLU HB2 H 2.088 . 1 2070 . 228 GLU HB3 H 1.934 . 1 2071 . 228 GLU CG C 35.879 . 1 2072 . 228 GLU HG2 H 2.413 . 1 2073 . 228 GLU HG3 H 2.336 . 1 2074 . 228 GLU C C 173.219 . 1 2075 . 229 LEU N N 121.735 . 1 2076 . 229 LEU H H 7.421 . 1 2077 . 229 LEU CA C 58.051 . 1 2078 . 229 LEU HA H 4.144 . 1 2079 . 229 LEU CB C 41.035 . 1 2080 . 229 LEU HB2 H 1.952 . 1 2081 . 229 LEU HB3 H 1.623 . 1 2082 . 229 LEU CG C 27.113 . 1 2083 . 229 LEU HG H 1.328 . 1 2084 . 229 LEU HD1 H 0.825 . 1 2085 . 229 LEU HD2 H 0.774 . 1 2086 . 229 LEU CD1 C 23.504 . 1 2087 . 229 LEU CD2 C 26.082 . 1 2088 . 229 LEU C C 172.054 . 1 2089 . 230 VAL N N 116.494 . 1 2090 . 230 VAL H H 8.513 . 1 2091 . 230 VAL CA C 66.301 . 1 2092 . 230 VAL HA H 3.532 . 1 2093 . 230 VAL CB C 30.465 . 1 2094 . 230 VAL HB H 2.119 . 1 2095 . 230 VAL HG1 H 0.984 . 1 2096 . 230 VAL HG2 H 0.839 . 1 2097 . 230 VAL CG1 C 20.926 . 1 2098 . 230 VAL CG2 C 21.957 . 1 2099 . 230 VAL C C 173.840 . 1 2100 . 231 ARG N N 121.735 . 1 2101 . 231 ARG H H 7.785 . 1 2102 . 231 ARG CA C 59.340 . 1 2103 . 231 ARG HA H 4.199 . 1 2104 . 231 ARG CB C 29.176 . 1 2105 . 231 ARG HB2 H 1.939 . 1 2106 . 231 ARG HB3 H 1.843 . 1 2107 . 231 ARG CG C 26.855 . 1 2108 . 231 ARG HG2 H 1.686 . 1 2109 . 231 ARG HG3 H 1.570 . 1 2110 . 231 ARG CD C 43.613 . 1 2111 . 231 ARG HD2 H 3.178 . 1 2112 . 231 ARG C C 170.734 . 1 2113 . 232 SER N N 117.542 . 1 2114 . 232 SER H H 8.032 . 1 2115 . 232 SER CA C 61.145 . 1 2116 . 232 SER HA H 4.262 . 1 2117 . 232 SER CB C 63.207 . 1 2118 . 232 SER HB2 H 4.258 . 1 2119 . 232 SER HB3 H 4.045 . 1 2120 . 232 SER C C 176.247 . 1 2121 . 233 ARG N N 119.639 . 1 2122 . 233 ARG H H 7.386 . 1 2123 . 233 ARG CA C 54.957 . 1 2124 . 233 ARG HA H 4.395 . 1 2125 . 233 ARG CB C 29.691 . 1 2126 . 233 ARG HB2 H 2.183 . 1 2127 . 233 ARG HB3 H 1.737 . 1 2128 . 233 ARG CG C 26.855 . 1 2129 . 233 ARG HG2 H 1.772 . 1 2130 . 233 ARG HG3 H 1.669 . 1 2131 . 233 ARG CD C 42.066 . 1 2132 . 233 ARG HD2 H 3.295 . 1 2133 . 233 ARG HD3 H 2.981 . 1 2134 . 233 ARG C C 175.393 . 1 2135 . 234 GLY N N 108.109 . 1 2136 . 234 GLY H H 7.732 . 1 2137 . 234 GLY CA C 45.676 . 1 2138 . 234 GLY HA2 H 4.063 . 1 2139 . 234 GLY HA3 H 3.705 . 1 2140 . 234 GLY C C 177.023 . 1 2141 . 235 ILE N N 124.356 . 1 2142 . 235 ILE H H 7.433 . 1 2143 . 235 ILE CA C 58.566 . 1 2144 . 235 ILE HA H 4.193 . 1 2145 . 235 ILE CB C 37.684 . 1 2146 . 235 ILE HB H 1.606 . 1 2147 . 235 ILE HG2 H 0.762 . 1 2148 . 235 ILE CG2 C 16.027 . 1 2149 . 235 ILE CG1 C 28.145 . 1 2150 . 235 ILE HG12 H 1.404 . 1 2151 . 235 ILE HG13 H 1.211 . 1 2152 . 235 ILE HD1 H 0.791 . 1 2153 . 235 ILE CD1 C 12.418 . 1 2154 . 235 ILE C C 177.632 . 1 2155 . 236 PRO CD C 51.090 . 1 2156 . 236 PRO CA C 62.949 . 1 2157 . 236 PRO HA H 4.292 . 1 2158 . 236 PRO CB C 32.785 . 1 2159 . 236 PRO HB2 H 2.346 . 1 2160 . 236 PRO HB3 H 1.895 . 1 2161 . 236 PRO CG C 27.629 . 1 2162 . 236 PRO HG2 H 1.889 . 1 2163 . 236 PRO HD2 H 4.032 . 1 2164 . 236 PRO HD3 H 3.447 . 1 2165 . 236 PRO C C 174.306 . 1 2166 . 237 GLY N N 109.681 . 1 2167 . 237 GLY H H 8.466 . 1 2168 . 237 GLY CA C 46.965 . 1 2169 . 237 GLY HA2 H 3.809 . 1 2170 . 237 GLY HA3 H 3.589 . 1 2171 . 237 GLY C C 175.781 . 1 2172 . 238 GLU N N 117.542 . 1 2173 . 238 GLU H H 8.477 . 1 2174 . 238 GLU CA C 57.793 . 1 2175 . 238 GLU HA H 4.102 . 1 2176 . 238 GLU CB C 28.402 . 1 2177 . 238 GLU HB2 H 2.004 . 1 2178 . 238 GLU CG C 36.395 . 1 2179 . 238 GLU HG2 H 2.228 . 1 2180 . 238 GLU C C 176.014 . 1 2181 . 239 GLN N N 117.018 . 1 2182 . 239 GLN H H 7.468 . 1 2183 . 239 GLN CA C 54.957 . 1 2184 . 239 GLN HA H 4.184 . 1 2185 . 239 GLN CB C 29.949 . 1 2186 . 239 GLN HB2 H 2.653 . 1 2187 . 239 GLN HB3 H 1.884 . 1 2188 . 239 GLN CG C 35.363 . 1 2189 . 239 GLN HG2 H 2.540 . 1 2190 . 239 GLN HG3 H 1.877 . 1 2191 . 239 GLN NE2 N 112.140 . 1 2192 . 239 GLN HE21 H 7.111 . 1 2193 . 239 GLN HE22 H 6.935 . 1 2194 . 239 GLN C C 180.284 . 1 2195 . 240 VAL N N 119.115 . 1 2196 . 240 VAL H H 6.506 . 1 2197 . 240 VAL CA C 60.629 . 1 2198 . 240 VAL HA H 4.486 . 1 2199 . 240 VAL CB C 33.043 . 1 2200 . 240 VAL HB H 1.788 . 1 2201 . 240 VAL HG1 H 0.795 . 1 2202 . 240 VAL HG2 H 0.686 . 1 2203 . 240 VAL CG1 C 21.699 . 1 2204 . 240 VAL CG2 C 21.441 . 1 2205 . 240 VAL C C 178.033 . 1 2206 . 241 PHE N N 128.024 . 1 2207 . 241 PHE H H 8.959 . 1 2208 . 241 PHE CA C 55.215 . 1 2209 . 241 PHE HA H 4.854 . 1 2210 . 241 PHE CB C 42.066 . 1 2211 . 241 PHE HB2 H 3.225 . 1 2212 . 241 PHE HB3 H 2.581 . 1 2213 . 241 PHE HD1 H 6.404 . 1 2214 . 241 PHE C C 176.557 . 1 2215 . 242 PHE N N 118.591 . 1 2216 . 242 PHE H H 8.735 . 1 2217 . 242 PHE CA C 54.957 . 1 2218 . 242 PHE HA H 6.076 . 1 2219 . 242 PHE CB C 44.129 . 1 2220 . 242 PHE HB2 H 2.796 . 1 2221 . 242 PHE C C 178.688 . 1 2222 . 243 GLU N N 122.783 . 1 2223 . 243 GLU H H 7.949 . 1 2224 . 243 GLU CA C 55.215 . 1 2225 . 243 GLU HA H 4.714 . 1 2226 . 243 GLU CB C 31.379 . 1 2227 . 243 GLU CG C 35.105 . 1 2228 . 243 GLU HG2 H 2.168 . 1 2229 . 243 GLU HG3 H 1.628 . 1 2230 . 243 GLU C C 177.334 . 1 2231 . 244 LYS N N 125.928 . 1 2232 . 244 LYS H H 8.524 . 1 2233 . 244 LYS CA C 55.253 . 1 2234 . 244 LYS HA H 4.373 . 1 2235 . 244 LYS CB C 33.840 . 1 2236 . 244 LYS C C 175.470 . 1 2237 . 245 PHE N N 126.452 . 1 2238 . 245 PHE H H 8.690 . 1 2239 . 245 PHE CA C 53.926 . 1 2240 . 245 PHE HA H 4.387 . 1 2241 . 245 PHE CB C 35.105 . 1 2242 . 245 PHE HB2 H 3.099 . 1 2243 . 245 PHE HB3 H 2.689 . 1 2244 . 245 PHE HD1 H 6.795 . 1 2245 . 245 PHE C C 177.411 . 1 2246 . 246 LEU N N 126.452 . 1 2247 . 246 LEU H H 6.307 . 1 2248 . 246 LEU CA C 52.379 . 1 2249 . 246 LEU HA H 4.541 . 1 2250 . 246 LEU CB C 43.355 . 1 2251 . 246 LEU HB2 H 1.545 . 1 2252 . 246 LEU HB3 H 1.324 . 1 2253 . 246 LEU HG H 1.844 . 1 2254 . 246 LEU HD1 H 0.902 . 1 2255 . 246 LEU HD2 H 0.904 . 1 2256 . 246 LEU CD1 C 25.566 . 1 2257 . 246 LEU CD2 C 23.246 . 1 2258 . 246 LEU C C 178.532 . 1 2259 . 247 PRO CD C 49.543 . 1 2260 . 247 PRO CA C 62.949 . 1 2261 . 247 PRO HA H 4.644 . 1 2262 . 247 PRO CB C 31.238 . 1 2263 . 247 PRO HB2 H 1.656 . 1 2264 . 247 PRO CG C 26.716 . 1 2265 . 247 PRO HD2 H 3.254 . 1 2266 . 247 PRO C C 174.073 . 1 2267 . 248 SER N N 120.163 . 1 2268 . 248 SER H H 8.783 . 1 2269 . 248 SER CA C 57.793 . 1 2270 . 248 SER HA H 4.705 . 1 2271 . 248 SER CB C 64.238 . 1 2272 . 248 SER HB2 H 4.002 . 1 2273 . 248 SER HB3 H 3.553 . 1 2274 . 248 SER C C 176.946 . 1 2275 . 249 GLY N N 109.157 . 1 2276 . 249 GLY H H 8.384 . 1 2277 . 249 GLY CA C 45.418 . 1 2278 . 249 GLY HA2 H 4.223 . 1 2279 . 249 GLY HA3 H 3.944 . 1 2280 . 249 GLY C C 177.411 . 1 2281 . 250 ALA N N 124.356 . 1 2282 . 250 ALA H H 8.008 . 1 2283 . 250 ALA CA C 52.121 . 1 2284 . 250 ALA HA H 4.345 . 1 2285 . 250 ALA HB H 1.347 . 1 2286 . 250 ALA CB C 19.637 . 1 2287 . 250 ALA C C 175.237 . 1 2288 . 251 ALA N N 129.596 . 1 2289 . 251 ALA H H 7.867 . 1 2290 . 251 ALA CA C 53.668 . 1 2291 . 251 ALA HA H 4.104 . 1 2292 . 251 ALA HB H 1.322 . 1 2293 . 251 ALA CB C 20.152 . 1 2294 . 251 ALA C C 169.179 . 1 2295 . 252 FDA N3 N 118.095 . 1 2296 . 252 FDA HN3 H 10.604 . 1 2297 . 252 FDA 1HM7 H 8.506 . 1 2298 . 252 FDA 1HM8 H 6.711 . 1 2299 . 252 FDA 2HM8 H 6.899 . 1 2300 . 252 FDA AN6 N 84.432 . 1 2301 . 252 FDA AH61 H 7.163 . 1 2302 . 252 FDA AH62 H 7.985 . 1 stop_ save_