data_15932 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution Structure of the Catalytic Domain of Procaspase-8 ; _BMRB_accession_number 15932 _BMRB_flat_file_name bmr15932.str _Entry_type original _Submission_date 2008-08-28 _Accession_date 2008-08-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NMR solution structure of a 266 amino acid polypeptide. Residue numbering starts at 213. Coordinates of residues 213-223, 405-414, 447-463 are not defined' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Keller Nadine . . 2 Zerbe Oliver . . 3 Mares Jiri . . 4 Gruetter Markus G. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1110 "13C chemical shifts" 922 "15N chemical shifts" 209 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-03-23 update BMRB 'complete entry citation' 2009-03-11 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and Biochemical Studies on Procaspase-8: New Insights on Initiator Caspase Activation' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19278658 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Keller Nadine . . 2 Mares Jiri . . 3 Zerbe Oliver . . 4 Gruetter Markus G. . stop_ _Journal_abbreviation Structure _Journal_volume 17 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 438 _Page_last 448 _Year 2009 _Details . loop_ _Keyword activation apoptosis caspase-8 initiator NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name Procaspase-8 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label procaspase8 $procaspase8 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_procaspase8 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common procaspase8 _Molecular_mass 24713.402 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 266 _Mol_residue_sequence ; MRGSESQTLDKVYQMKSKPR GYCLIINNHNFAKAREKVPK LHSIRDRNGTHLDAGALTTT FEELHFEIKPHDDCTVEQIY EILKIYQLMDHSNMDCFICC ILSHGDKGIIYGTDGQEAPI YELTSQFTGLKCPSLAGKPK VFFIQAAQGDNYQKGIPVET DSEEQPYLEMDLSSPQTRYI PDEADFLLGMATVNNCVSYR NPAEGTWYIQSLCQSLRERC PRGDDILTILTEVNYEVSNK DDKKNMGKQMPQPTFTLRKK LVFPSD ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 214 MET 2 215 ARG 3 216 GLY 4 217 SER 5 218 GLU 6 219 SER 7 220 GLN 8 221 THR 9 222 LEU 10 223 ASP 11 224 LYS 12 225 VAL 13 226 TYR 14 227 GLN 15 228 MET 16 229 LYS 17 230 SER 18 231 LYS 19 232 PRO 20 233 ARG 21 234 GLY 22 235 TYR 23 236 CYS 24 237 LEU 25 238 ILE 26 239 ILE 27 240 ASN 28 241 ASN 29 242 HIS 30 243 ASN 31 244 PHE 32 245 ALA 33 246 LYS 34 247 ALA 35 248 ARG 36 249 GLU 37 250 LYS 38 251 VAL 39 252 PRO 40 253 LYS 41 254 LEU 42 255 HIS 43 256 SER 44 257 ILE 45 258 ARG 46 259 ASP 47 260 ARG 48 261 ASN 49 262 GLY 50 263 THR 51 264 HIS 52 265 LEU 53 266 ASP 54 267 ALA 55 268 GLY 56 269 ALA 57 270 LEU 58 271 THR 59 272 THR 60 273 THR 61 274 PHE 62 275 GLU 63 276 GLU 64 277 LEU 65 278 HIS 66 279 PHE 67 280 GLU 68 281 ILE 69 282 LYS 70 283 PRO 71 284 HIS 72 285 ASP 73 286 ASP 74 287 CYS 75 288 THR 76 289 VAL 77 290 GLU 78 291 GLN 79 292 ILE 80 293 TYR 81 294 GLU 82 295 ILE 83 296 LEU 84 297 LYS 85 298 ILE 86 299 TYR 87 300 GLN 88 301 LEU 89 302 MET 90 303 ASP 91 304 HIS 92 305 SER 93 306 ASN 94 307 MET 95 308 ASP 96 309 CYS 97 310 PHE 98 311 ILE 99 312 CYS 100 313 CYS 101 314 ILE 102 315 LEU 103 316 SER 104 317 HIS 105 318 GLY 106 319 ASP 107 320 LYS 108 321 GLY 109 322 ILE 110 323 ILE 111 324 TYR 112 325 GLY 113 326 THR 114 327 ASP 115 328 GLY 116 329 GLN 117 330 GLU 118 331 ALA 119 332 PRO 120 333 ILE 121 334 TYR 122 335 GLU 123 336 LEU 124 337 THR 125 338 SER 126 339 GLN 127 340 PHE 128 341 THR 129 342 GLY 130 343 LEU 131 344 LYS 132 345 CYS 133 346 PRO 134 347 SER 135 348 LEU 136 349 ALA 137 350 GLY 138 351 LYS 139 352 PRO 140 353 LYS 141 354 VAL 142 355 PHE 143 356 PHE 144 357 ILE 145 358 GLN 146 359 ALA 147 360 ALA 148 361 GLN 149 362 GLY 150 363 ASP 151 364 ASN 152 365 TYR 153 366 GLN 154 367 LYS 155 368 GLY 156 369 ILE 157 370 PRO 158 371 VAL 159 372 GLU 160 373 THR 161 374 ASP 162 375 SER 163 376 GLU 164 377 GLU 165 378 GLN 166 379 PRO 167 380 TYR 168 381 LEU 169 382 GLU 170 383 MET 171 384 ASP 172 385 LEU 173 386 SER 174 387 SER 175 388 PRO 176 389 GLN 177 390 THR 178 391 ARG 179 392 TYR 180 393 ILE 181 394 PRO 182 395 ASP 183 396 GLU 184 397 ALA 185 398 ASP 186 399 PHE 187 400 LEU 188 401 LEU 189 402 GLY 190 403 MET 191 404 ALA 192 405 THR 193 406 VAL 194 407 ASN 195 408 ASN 196 409 CYS 197 410 VAL 198 411 SER 199 412 TYR 200 413 ARG 201 414 ASN 202 415 PRO 203 416 ALA 204 417 GLU 205 418 GLY 206 419 THR 207 420 TRP 208 421 TYR 209 422 ILE 210 423 GLN 211 424 SER 212 425 LEU 213 426 CYS 214 427 GLN 215 428 SER 216 429 LEU 217 430 ARG 218 431 GLU 219 432 ARG 220 433 CYS 221 434 PRO 222 435 ARG 223 436 GLY 224 437 ASP 225 438 ASP 226 439 ILE 227 440 LEU 228 441 THR 229 442 ILE 230 443 LEU 231 444 THR 232 445 GLU 233 446 VAL 234 447 ASN 235 448 TYR 236 449 GLU 237 450 VAL 238 451 SER 239 452 ASN 240 453 LYS 241 454 ASP 242 455 ASP 243 456 LYS 244 457 LYS 245 458 ASN 246 459 MET 247 460 GLY 248 461 LYS 249 462 GLN 250 463 MET 251 464 PRO 252 465 GLN 253 466 PRO 254 467 THR 255 468 PHE 256 469 THR 257 470 LEU 258 471 ARG 259 472 LYS 260 473 LYS 261 474 LEU 262 475 VAL 263 476 PHE 264 477 PRO 265 478 SER 266 479 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-02-05 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 1F9E "Caspase-8 Specificity Probed At Subsite S4: Crystal Structure Of The Caspase-8-Z-Devd-Cho" 57.52 153 98.69 98.69 8.84e-107 PDB 1I4E "Crystal Structure Of The Caspase-8/p35 Complex" 96.99 258 99.22 99.22 0.00e+00 PDB 1QDU "Crystal Structure Of The Complex Of Caspase-8 With The Tripeptide Ketone Inhibitor Zevd-Dcbmk" 57.52 153 98.69 98.69 8.84e-107 PDB 1QTN "Crystal Structure Of The Complex Of Caspase-8 With The Tetrapeptide Inhibitor Ace-Ietd-Aldehyde" 59.40 164 99.37 99.37 2.66e-111 PDB 2C2Z "Crystal Structure Of Caspase-8 In Complex With Aza-Peptide Michael Acceptor Inhibitor" 59.40 159 98.73 98.73 7.86e-111 PDB 2FUN "Alternative P35-Caspase-8 Complex" 96.99 258 99.22 99.22 0.00e+00 PDB 2K7Z "Solution Structure Of The Catalytic Domain Of Procaspase-8" 100.00 266 100.00 100.00 0.00e+00 PDB 2Y1L "Caspase-8 In Complex With Darpin-8.4" 59.40 159 98.73 98.73 7.86e-111 PDB 3H11 "Zymogen Caspase-8:c-Flipl Protease Domain Complex" 98.87 271 98.86 98.86 0.00e+00 PDB 3KJN "Caspase 8 Bound To A Covalent Inhibitor" 59.40 164 99.37 99.37 2.66e-111 PDB 3KJQ "Caspase 8 With Covalent Inhibitor" 59.40 164 99.37 99.37 2.66e-111 PDB 4JJ7 "Caspase-3 Specific Unnatural Amino Acid-based Peptides" 98.87 275 99.62 99.62 0.00e+00 PDB 4PRZ "Caspase-8 Specific Unnatural Amino Acid Peptides" 98.87 275 99.62 99.62 0.00e+00 PDB 4PS1 "Caspase-8 Specific Unnatural Amino Acid Peptides" 98.87 275 99.62 99.62 0.00e+00 DBJ BAB32555 "caspase-8 [Homo sapiens]" 98.87 496 99.24 99.24 0.00e+00 DBJ BAG70096 "caspase 8 isoform C precursor [Homo sapiens]" 98.87 464 98.86 98.86 0.00e+00 DBJ BAG70228 "caspase 8 isoform C precursor [Homo sapiens]" 98.87 464 98.86 98.86 0.00e+00 EMBL CAA66853 "MACH-alpha-1 [Homo sapiens]" 98.87 479 99.62 99.62 0.00e+00 EMBL CAA66854 "MACH-alpha-2 [Homo sapiens]" 98.87 464 99.62 99.62 0.00e+00 EMBL CAA66855 "MACH-alpha-3 [Homo sapiens]" 79.70 266 99.53 99.53 4.75e-155 GB AAB70913 "apoptotic caspase Mch5-beta [Homo sapiens]" 98.87 464 99.24 99.24 0.00e+00 GB AAC50602 "FADD-homologous ICE/CED-3-like protease [Homo sapiens]" 98.87 479 99.24 99.24 0.00e+00 GB AAC50645 "apoptotic cysteine protease Mch5 isoform alpha [Homo sapiens]" 98.87 496 99.24 99.24 0.00e+00 GB AAD24962 "caspase 8 [Homo sapiens]" 98.87 479 98.86 99.24 0.00e+00 GB AAL87628 "procaspase-8L [Homo sapiens]" 98.87 538 99.62 99.62 0.00e+00 REF NP_001073593 "caspase-8 isoform C precursor [Homo sapiens]" 98.87 464 99.62 99.62 0.00e+00 REF NP_001073594 "caspase-8 isoform G precursor [Homo sapiens]" 98.87 538 99.62 99.62 0.00e+00 REF NP_001125222 "caspase-8 [Pongo abelii]" 98.87 496 98.48 99.24 0.00e+00 REF NP_001219 "caspase-8 isoform A precursor [Homo sapiens]" 98.87 496 99.62 99.62 0.00e+00 REF NP_203519 "caspase-8 isoform B precursor [Homo sapiens]" 98.87 479 99.62 99.62 0.00e+00 SP Q14790 "RecName: Full=Caspase-8; Short=CASP-8; AltName: Full=Apoptotic cysteine protease; AltName: Full=Apoptotic protease Mch-5; AltNa" 98.87 479 99.62 99.62 0.00e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $procaspase8 Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $procaspase8 'recombinant technology' . Escherichia coli . pQE-50 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '13C,15N labelled PC8' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $procaspase8 0.8 mM '[U-99% 13C; U-99% 15N]' DTT 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TRIS 20 mM [U-2H] H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '2H, 13C,15N labelled PC8' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $procaspase8 0.8 mM '[U-100% 13C; U-100% 15N; 80% 2H]' DTT 10 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' TRIS 20 mM [U-2H] H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_AMBER _Saveframe_category software _Name AMBER _Version 6.0 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.2 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.55 loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller, W thrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(CO)CACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CACB' _Sample_label $sample_2 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ save_3D_HN(CO)CG_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CG' _Sample_label $sample_2 save_ save_3D_HNCG_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCG' _Sample_label $sample_2 save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_HN(CACO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CACO)NH _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 8.0 . pH pressure 1 . atm temperature 305 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'referencing of 1H chemical shifts relative to the water frequency at 4.682 ppm at 305K and 13C and 15N using the conversion factors of the BMRB' 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 water C 13 protons ppm 4.682 na indirect . . . 0.251449530 water H 1 protons ppm 4.682 internal direct . . . 1.0 water N 15 protons ppm 4.682 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $CARA stop_ loop_ _Experiment_label '3D 1H-13C NOESY' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name procaspase8 _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 1 224 11 LYS HA H 4.384 0.020 1 2 224 11 LYS HB2 H 1.851 0.020 2 3 224 11 LYS HB3 H 1.763 0.020 2 4 224 11 LYS HD2 H 1.333 0.020 2 5 224 11 LYS HD3 H 2.145 0.020 2 6 224 11 LYS HE2 H 2.954 0.020 2 7 224 11 LYS HE3 H 2.871 0.020 2 8 224 11 LYS HG2 H 1.444 0.020 2 9 224 11 LYS HG3 H 1.372 0.020 2 10 224 11 LYS C C 175.395 0.400 1 11 224 11 LYS CA C 56.001 0.400 1 12 224 11 LYS CB C 33.797 0.400 1 13 224 11 LYS CD C 28.876 0.400 1 14 224 11 LYS CE C 41.893 0.400 1 15 224 11 LYS CG C 24.828 0.400 1 16 224 11 LYS N N 118.252 0.400 1 17 225 12 VAL H H 7.819 0.020 1 18 225 12 VAL HA H 4.946 0.020 1 19 225 12 VAL HB H 1.988 0.020 1 20 225 12 VAL HG1 H 0.819 0.020 2 21 225 12 VAL HG2 H 0.930 0.020 2 22 225 12 VAL C C 175.898 0.400 1 23 225 12 VAL CA C 59.650 0.400 1 24 225 12 VAL CB C 35.296 0.400 1 25 225 12 VAL CG1 C 20.253 0.400 1 26 225 12 VAL CG2 C 21.319 0.400 1 27 225 12 VAL N N 117.637 0.400 1 28 226 13 TYR H H 8.318 0.020 1 29 226 13 TYR HA H 4.291 0.020 1 30 226 13 TYR HB2 H 3.099 0.020 2 31 226 13 TYR HB3 H 3.000 0.020 2 32 226 13 TYR C C 176.911 0.400 1 33 226 13 TYR CA C 60.063 0.400 1 34 226 13 TYR CB C 37.843 0.400 1 35 226 13 TYR N N 122.976 0.400 1 36 227 14 GLN H H 9.128 0.020 1 37 227 14 GLN HA H 3.996 0.020 1 38 227 14 GLN HB2 H 2.188 0.020 1 39 227 14 GLN HB3 H 2.188 0.020 1 40 227 14 GLN HG2 H 2.463 0.020 2 41 227 14 GLN HG3 H 2.174 0.020 2 42 227 14 GLN C C 175.052 0.400 1 43 227 14 GLN CA C 57.421 0.400 1 44 227 14 GLN CB C 29.550 0.400 1 45 227 14 GLN CG C 34.547 0.400 1 46 227 14 GLN N N 124.676 0.400 1 47 228 15 MET H H 8.465 0.020 1 48 228 15 MET HA H 5.210 0.020 1 49 228 15 MET HB2 H 2.131 0.020 1 50 228 15 MET HB3 H 2.131 0.020 1 51 228 15 MET HE H 2.176 0.020 1 52 228 15 MET HG2 H 2.662 0.020 2 53 228 15 MET HG3 H 3.341 0.020 2 54 228 15 MET C C 172.979 0.400 1 55 228 15 MET CA C 52.955 0.400 1 56 228 15 MET CB C 30.751 0.400 1 57 228 15 MET CE C 16.792 0.400 1 58 228 15 MET CG C 32.529 0.400 1 59 228 15 MET N N 128.835 0.400 1 60 229 16 LYS H H 9.119 0.020 1 61 229 16 LYS HA H 4.558 0.020 1 62 229 16 LYS HB2 H 1.747 0.020 1 63 229 16 LYS HB3 H 1.747 0.020 1 64 229 16 LYS HD2 H 1.637 0.020 1 65 229 16 LYS HD3 H 1.637 0.020 1 66 229 16 LYS HE2 H 2.915 0.020 1 67 229 16 LYS HE3 H 2.915 0.020 1 68 229 16 LYS HG2 H 1.346 0.020 1 69 229 16 LYS HG3 H 1.346 0.020 1 70 229 16 LYS C C 176.209 0.400 1 71 229 16 LYS CA C 55.916 0.400 1 72 229 16 LYS CB C 35.555 0.400 1 73 229 16 LYS CD C 28.995 0.400 1 74 229 16 LYS CE C 41.852 0.400 1 75 229 16 LYS CG C 24.244 0.400 1 76 229 16 LYS N N 120.235 0.400 1 77 230 17 SER H H 9.101 0.020 1 78 230 17 SER HA H 4.077 0.020 1 79 230 17 SER HB2 H 3.708 0.020 2 80 230 17 SER HB3 H 3.944 0.020 2 81 230 17 SER C C 172.995 0.400 1 82 230 17 SER CA C 59.615 0.400 1 83 230 17 SER CB C 64.482 0.400 1 84 230 17 SER N N 121.500 0.400 1 85 231 18 LYS H H 8.120 0.020 1 86 231 18 LYS HA H 4.373 0.020 1 87 231 18 LYS HB2 H 1.568 0.020 1 88 231 18 LYS HB3 H 1.568 0.020 1 89 231 18 LYS HD2 H 1.336 0.020 1 90 231 18 LYS HD3 H 1.336 0.020 1 91 231 18 LYS HE2 H 2.421 0.020 2 92 231 18 LYS HE3 H 2.155 0.020 2 93 231 18 LYS HG2 H 1.185 0.020 2 94 231 18 LYS HG3 H 0.932 0.020 2 95 231 18 LYS C C 173.565 0.400 1 96 231 18 LYS CA C 53.231 0.400 1 97 231 18 LYS CB C 34.596 0.400 1 98 231 18 LYS CD C 28.951 0.400 1 99 231 18 LYS CE C 41.211 0.400 1 100 231 18 LYS CG C 25.324 0.400 1 101 231 18 LYS N N 120.561 0.400 1 102 232 19 PRO HA H 4.898 0.020 1 103 232 19 PRO HB2 H 1.750 0.020 2 104 232 19 PRO HB3 H 2.350 0.020 2 105 232 19 PRO HD2 H 3.474 0.020 1 106 232 19 PRO HD3 H 3.474 0.020 1 107 232 19 PRO HG2 H 1.892 0.020 1 108 232 19 PRO HG3 H 1.892 0.020 1 109 232 19 PRO C C 176.162 0.400 1 110 232 19 PRO CA C 62.838 0.400 1 111 232 19 PRO CB C 34.997 0.400 1 112 232 19 PRO CD C 50.072 0.400 1 113 232 19 PRO CG C 24.687 0.400 1 114 233 20 ARG H H 8.782 0.020 1 115 233 20 ARG HA H 3.651 0.020 1 116 233 20 ARG C C 175.210 0.400 1 117 233 20 ARG CA C 56.621 0.400 1 118 233 20 ARG CB C 30.581 0.400 1 119 233 20 ARG CD C 44.111 0.400 1 120 233 20 ARG CG C 27.237 0.400 1 121 233 20 ARG N N 118.785 0.400 1 122 234 21 GLY H H 6.490 0.020 1 123 234 21 GLY HA2 H 4.312 0.020 2 124 234 21 GLY HA3 H 4.662 0.020 2 125 234 21 GLY C C 172.012 0.400 1 126 234 21 GLY CA C 43.743 0.400 1 127 234 21 GLY N N 128.529 0.400 1 128 235 22 TYR H H 9.327 0.020 1 129 235 22 TYR HA H 5.260 0.020 1 130 235 22 TYR HB2 H 2.922 0.020 1 131 235 22 TYR HB3 H 2.922 0.020 1 132 235 22 TYR HD1 H 7.313 0.020 1 133 235 22 TYR HE1 H 6.672 0.020 1 134 235 22 TYR C C 173.931 0.400 1 135 235 22 TYR CA C 58.287 0.400 1 136 235 22 TYR CB C 39.762 0.400 1 137 235 22 TYR CD1 C 132.546 0.400 1 138 235 22 TYR CE1 C 118.400 0.400 1 139 235 22 TYR N N 119.429 0.400 1 140 236 23 CYS H H 8.665 0.020 1 141 236 23 CYS HA H 4.928 0.020 1 142 236 23 CYS C C 172.970 0.400 1 143 236 23 CYS CA C 55.636 0.400 1 144 236 23 CYS CB C 50.040 0.400 1 145 236 23 CYS N N 120.485 0.400 1 146 237 24 LEU H H 8.619 0.020 1 147 237 24 LEU HA H 4.691 0.020 1 148 237 24 LEU HB2 H 1.223 0.020 2 149 237 24 LEU HB3 H 1.357 0.020 2 150 237 24 LEU HD1 H 0.607 0.020 2 151 237 24 LEU HD2 H 0.452 0.020 2 152 237 24 LEU HG H 1.344 0.020 1 153 237 24 LEU C C 175.850 0.400 1 154 237 24 LEU CA C 54.053 0.400 1 155 237 24 LEU CB C 44.117 0.400 1 156 237 24 LEU CD1 C 24.744 0.400 1 157 237 24 LEU CD2 C 24.835 0.400 1 158 237 24 LEU CG C 27.756 0.400 1 159 237 24 LEU N N 129.465 0.400 1 160 238 25 ILE H H 8.304 0.020 1 161 238 25 ILE HA H 4.639 0.020 1 162 238 25 ILE HB H 1.461 0.020 1 163 238 25 ILE HD1 H 0.712 0.020 1 164 238 25 ILE HG2 H 0.646 0.020 1 165 238 25 ILE C C 174.032 0.400 1 166 238 25 ILE CA C 60.879 0.400 1 167 238 25 ILE CB C 41.165 0.400 1 168 238 25 ILE CD1 C 15.565 0.400 1 169 238 25 ILE CG1 C 27.367 0.400 1 170 238 25 ILE CG2 C 16.922 0.400 1 171 238 25 ILE N N 122.597 0.400 1 172 239 26 ILE H H 9.025 0.020 1 173 239 26 ILE HA H 4.778 0.020 1 174 239 26 ILE HB H 1.938 0.020 1 175 239 26 ILE HD1 H 0.743 0.020 1 176 239 26 ILE HG12 H 1.454 0.020 2 177 239 26 ILE HG13 H 1.126 0.020 2 178 239 26 ILE HG2 H 0.824 0.020 1 179 239 26 ILE C C 173.104 0.400 1 180 239 26 ILE CA C 60.733 0.400 1 181 239 26 ILE CB C 38.237 0.400 1 182 239 26 ILE CD1 C 13.001 0.400 1 183 239 26 ILE CG1 C 27.723 0.400 1 184 239 26 ILE CG2 C 16.413 0.400 1 185 239 26 ILE N N 129.303 0.400 1 186 240 27 ASN H H 8.957 0.020 1 187 240 27 ASN HA H 5.174 0.020 1 188 240 27 ASN HB2 H 2.084 0.020 2 189 240 27 ASN HB3 H 3.512 0.020 2 190 240 27 ASN C C 172.948 0.400 1 191 240 27 ASN CA C 52.055 0.400 1 192 240 27 ASN CB C 40.530 0.400 1 193 240 27 ASN N N 125.494 0.400 1 194 241 28 ASN H H 9.118 0.020 1 195 241 28 ASN HA H 5.106 0.020 1 196 241 28 ASN HB2 H 2.549 0.020 2 197 241 28 ASN HB3 H 3.764 0.020 2 198 241 28 ASN C C 172.184 0.400 1 199 241 28 ASN CA C 52.599 0.400 1 200 241 28 ASN CB C 38.296 0.400 1 201 241 28 ASN N N 125.089 0.400 1 202 242 29 HIS H H 9.512 0.020 1 203 242 29 HIS HA H 4.384 0.020 1 204 242 29 HIS HB2 H 2.791 0.020 1 205 242 29 HIS HB3 H 2.791 0.020 1 206 242 29 HIS C C 173.519 0.400 1 207 242 29 HIS CA C 59.174 0.400 1 208 242 29 HIS CB C 28.022 0.400 1 209 242 29 HIS N N 125.634 0.400 1 210 243 30 ASN H H 8.623 0.020 1 211 243 30 ASN HA H 4.148 0.020 1 212 243 30 ASN HB2 H 2.940 0.020 1 213 243 30 ASN HB3 H 2.940 0.020 1 214 243 30 ASN HD21 H 7.635 0.020 2 215 243 30 ASN HD22 H 6.494 0.020 2 216 243 30 ASN C C 175.052 0.400 1 217 243 30 ASN CA C 53.229 0.400 1 218 243 30 ASN CB C 38.980 0.400 1 219 243 30 ASN N N 119.059 0.400 1 220 243 30 ASN ND2 N 111.520 0.400 1 221 244 31 PHE H H 8.676 0.020 1 222 244 31 PHE HA H 4.686 0.020 1 223 244 31 PHE HB2 H 2.961 0.020 2 224 244 31 PHE HB3 H 3.489 0.020 2 225 244 31 PHE C C 174.399 0.400 1 226 244 31 PHE CA C 57.688 0.400 1 227 244 31 PHE CB C 39.026 0.400 1 228 244 31 PHE N N 124.091 0.400 1 229 245 32 ALA H H 8.244 0.020 1 230 245 32 ALA HA H 3.869 0.020 1 231 245 32 ALA HB H 1.456 0.020 1 232 245 32 ALA C C 180.452 0.400 1 233 245 32 ALA CA C 56.274 0.400 1 234 245 32 ALA CB C 18.181 0.400 1 235 245 32 ALA N N 122.713 0.400 1 236 246 33 LYS H H 8.964 0.020 1 237 246 33 LYS HA H 4.089 0.020 1 238 246 33 LYS HB2 H 1.669 0.020 2 239 246 33 LYS HB3 H 1.790 0.020 2 240 246 33 LYS HD2 H 1.653 0.020 1 241 246 33 LYS HD3 H 1.653 0.020 1 242 246 33 LYS HE2 H 2.915 0.020 1 243 246 33 LYS HE3 H 2.915 0.020 1 244 246 33 LYS HG2 H 1.424 0.020 2 245 246 33 LYS HG3 H 1.464 0.020 2 246 246 33 LYS C C 177.441 0.400 1 247 246 33 LYS CA C 58.632 0.400 1 248 246 33 LYS CB C 30.418 0.400 1 249 246 33 LYS CD C 28.315 0.400 1 250 246 33 LYS CE C 58.012 0.400 1 251 246 33 LYS CG C 24.457 0.400 1 252 246 33 LYS N N 116.888 0.400 1 253 247 34 ALA H H 7.088 0.020 1 254 247 34 ALA HA H 3.752 0.020 1 255 247 34 ALA HB H 1.457 0.020 1 256 247 34 ALA C C 177.581 0.400 1 257 247 34 ALA CA C 55.502 0.400 1 258 247 34 ALA CB C 18.099 0.400 1 259 247 34 ALA N N 122.047 0.400 1 260 248 35 ARG H H 7.706 0.020 1 261 248 35 ARG HA H 4.338 0.020 1 262 248 35 ARG HB2 H 1.855 0.020 2 263 248 35 ARG HB3 H 1.770 0.020 2 264 248 35 ARG HD2 H 3.185 0.020 2 265 248 35 ARG HD3 H 2.705 0.020 2 266 248 35 ARG HG2 H 1.628 0.020 1 267 248 35 ARG HG3 H 1.628 0.020 1 268 248 35 ARG HH11 H 7.635 0.020 2 269 248 35 ARG HH12 H 6.494 0.020 2 270 248 35 ARG C C 179.094 0.400 1 271 248 35 ARG CA C 56.283 0.400 1 272 248 35 ARG CB C 30.668 0.400 1 273 248 35 ARG CD C 43.200 0.400 1 274 248 35 ARG CG C 26.942 0.400 1 275 248 35 ARG N N 112.008 0.400 1 276 248 35 ARG NH1 N 111.520 0.400 1 277 249 36 GLU H H 7.707 0.020 1 278 249 36 GLU HA H 4.121 0.020 1 279 249 36 GLU HB2 H 2.129 0.020 1 280 249 36 GLU HB3 H 2.129 0.020 1 281 249 36 GLU HG2 H 2.367 0.020 2 282 249 36 GLU HG3 H 2.129 0.020 2 283 249 36 GLU C C 178.205 0.400 1 284 249 36 GLU CA C 58.194 0.400 1 285 249 36 GLU CB C 30.596 0.400 1 286 249 36 GLU CG C 36.142 0.400 1 287 249 36 GLU N N 116.945 0.400 1 288 250 37 LYS H H 7.954 0.020 1 289 250 37 LYS HA H 4.381 0.020 1 290 250 37 LYS HB2 H 1.901 0.020 1 291 250 37 LYS HB3 H 1.901 0.020 1 292 250 37 LYS HD2 H 1.648 0.020 1 293 250 37 LYS HD3 H 1.648 0.020 1 294 250 37 LYS HE2 H 2.950 0.020 1 295 250 37 LYS HE3 H 2.950 0.020 1 296 250 37 LYS HG2 H 1.560 0.020 2 297 250 37 LYS HG3 H 1.466 0.020 2 298 250 37 LYS C C 176.772 0.400 1 299 250 37 LYS CA C 57.323 0.400 1 300 250 37 LYS CB C 34.892 0.400 1 301 250 37 LYS CD C 28.420 0.400 1 302 250 37 LYS CE C 41.888 0.400 1 303 250 37 LYS CG C 25.202 0.400 1 304 250 37 LYS N N 114.798 0.400 1 305 251 38 VAL H H 8.298 0.020 1 306 251 38 VAL HA H 4.582 0.020 1 307 251 38 VAL HB H 2.223 0.020 1 308 251 38 VAL HG1 H 0.985 0.020 2 309 251 38 VAL HG2 H 0.920 0.020 2 310 251 38 VAL C C 174.903 0.400 1 311 251 38 VAL CA C 60.316 0.400 1 312 251 38 VAL CB C 32.374 0.400 1 313 251 38 VAL CG1 C 20.344 0.400 1 314 251 38 VAL CG2 C 21.834 0.400 1 315 251 38 VAL N N 120.907 0.400 1 316 253 40 LYS H H 8.588 0.020 1 317 253 40 LYS HA H 4.275 0.020 1 318 253 40 LYS HB2 H 1.959 0.020 1 319 253 40 LYS HB3 H 1.959 0.020 1 320 253 40 LYS HD2 H 1.620 0.020 1 321 253 40 LYS HD3 H 1.620 0.020 1 322 253 40 LYS HE2 H 2.912 0.020 1 323 253 40 LYS HE3 H 2.912 0.020 1 324 253 40 LYS HG2 H 1.100 0.020 1 325 253 40 LYS HG3 H 1.100 0.020 1 326 253 40 LYS C C 176.447 0.400 1 327 253 40 LYS CA C 58.550 0.400 1 328 253 40 LYS CB C 31.568 0.400 1 329 253 40 LYS CD C 29.553 0.400 1 330 253 40 LYS CE C 41.874 0.400 1 331 253 40 LYS CG C 24.516 0.400 1 332 253 40 LYS N N 113.861 0.400 1 333 254 41 LEU H H 7.948 0.020 1 334 254 41 LEU HA H 4.391 0.020 1 335 254 41 LEU HB2 H 1.356 0.020 2 336 254 41 LEU HB3 H 1.456 0.020 2 337 254 41 LEU HD1 H 0.276 0.020 2 338 254 41 LEU HD2 H 0.279 0.020 2 339 254 41 LEU HG H 0.418 0.020 1 340 254 41 LEU C C 175.989 0.400 1 341 254 41 LEU CA C 53.279 0.400 1 342 254 41 LEU CB C 40.369 0.400 1 343 254 41 LEU CD1 C 21.011 0.400 1 344 254 41 LEU CD2 C 21.087 0.400 1 345 254 41 LEU CG C 26.354 0.400 1 346 254 41 LEU N N 118.998 0.400 1 347 255 42 HIS H H 7.167 0.020 1 348 255 42 HIS HA H 4.376 0.020 1 349 255 42 HIS HB2 H 3.240 0.020 2 350 255 42 HIS HB3 H 3.296 0.020 2 351 255 42 HIS HD2 H 7.244 0.020 1 352 255 42 HIS C C 174.836 0.400 1 353 255 42 HIS CA C 59.188 0.400 1 354 255 42 HIS CB C 30.311 0.400 1 355 255 42 HIS CD2 C 121.171 0.400 1 356 255 42 HIS N N 116.251 0.400 1 357 256 43 SER H H 7.735 0.020 1 358 256 43 SER HA H 4.490 0.020 1 359 256 43 SER HB2 H 3.634 0.020 1 360 256 43 SER HB3 H 3.634 0.020 1 361 256 43 SER C C 174.045 0.400 1 362 256 43 SER CA C 56.420 0.400 1 363 256 43 SER CB C 64.093 0.400 1 364 256 43 SER N N 110.725 0.400 1 365 257 44 ILE H H 7.403 0.020 1 366 257 44 ILE HA H 3.806 0.020 1 367 257 44 ILE HB H 1.168 0.020 1 368 257 44 ILE HD1 H 0.116 0.020 1 369 257 44 ILE HG12 H 0.465 0.020 2 370 257 44 ILE HG13 H 0.735 0.020 2 371 257 44 ILE HG2 H 0.689 0.020 1 372 257 44 ILE C C 174.321 0.400 1 373 257 44 ILE CA C 61.640 0.400 1 374 257 44 ILE CB C 38.324 0.400 1 375 257 44 ILE CD1 C 13.987 0.400 1 376 257 44 ILE CG1 C 28.023 0.400 1 377 257 44 ILE CG2 C 17.901 0.400 1 378 257 44 ILE N N 124.717 0.400 1 379 258 45 ARG H H 8.043 0.020 1 380 258 45 ARG HA H 4.201 0.020 1 381 258 45 ARG HB2 H 1.557 0.020 2 382 258 45 ARG HB3 H 1.360 0.020 2 383 258 45 ARG HD2 H 3.062 0.020 2 384 258 45 ARG HD3 H 2.872 0.020 2 385 258 45 ARG HG2 H 1.363 0.020 2 386 258 45 ARG HG3 H 1.300 0.020 2 387 258 45 ARG C C 177.535 0.400 1 388 258 45 ARG CA C 55.412 0.400 1 389 258 45 ARG CB C 31.546 0.400 1 390 258 45 ARG CD C 43.211 0.400 1 391 258 45 ARG CG C 26.971 0.400 1 392 258 45 ARG N N 124.319 0.400 1 393 259 46 ASP H H 8.584 0.020 1 394 259 46 ASP HA H 5.096 0.020 1 395 259 46 ASP HB2 H 2.415 0.020 1 396 259 46 ASP HB3 H 2.415 0.020 1 397 259 46 ASP C C 177.819 0.400 1 398 259 46 ASP CA C 55.248 0.400 1 399 259 46 ASP CB C 39.614 0.400 1 400 259 46 ASP N N 120.371 0.400 1 401 260 47 ARG H H 8.632 0.020 1 402 260 47 ARG HD2 H 1.640 0.020 2 403 260 47 ARG HD3 H 2.926 0.020 2 404 260 47 ARG HG2 H 1.860 0.020 2 405 260 47 ARG HG3 H 1.775 0.020 2 406 260 47 ARG HH11 H 7.635 0.020 2 407 260 47 ARG HH12 H 6.494 0.020 2 408 260 47 ARG CA C 56.228 0.400 1 409 260 47 ARG CB C 26.981 0.400 1 410 260 47 ARG CD C 43.229 0.400 1 411 260 47 ARG N N 123.120 0.400 1 412 260 47 ARG NH1 N 111.520 0.400 1 413 264 51 HIS HA H 4.293 0.020 1 414 264 51 HIS HB2 H 3.138 0.020 2 415 264 51 HIS HB3 H 3.010 0.020 2 416 264 51 HIS HD2 H 6.990 0.020 1 417 264 51 HIS C C 178.002 0.400 1 418 264 51 HIS CA C 60.062 0.400 1 419 264 51 HIS CB C 29.109 0.400 1 420 264 51 HIS CD2 C 117.760 0.400 1 421 265 52 LEU H H 7.474 0.020 1 422 265 52 LEU HA H 4.125 0.020 1 423 265 52 LEU HB2 H 1.362 0.020 2 424 265 52 LEU HB3 H 1.667 0.020 2 425 265 52 LEU HD1 H 0.715 0.020 2 426 265 52 LEU HD2 H 0.790 0.020 2 427 265 52 LEU HG H 1.129 0.020 1 428 265 52 LEU C C 180.623 0.400 1 429 265 52 LEU CA C 56.921 0.400 1 430 265 52 LEU CB C 40.572 0.400 1 431 265 52 LEU CD1 C 22.897 0.400 1 432 265 52 LEU CD2 C 24.819 0.400 1 433 265 52 LEU CG C 26.969 0.400 1 434 265 52 LEU N N 122.692 0.400 1 435 266 53 ASP H H 6.993 0.020 1 436 266 53 ASP C C 176.536 0.400 1 437 266 53 ASP CA C 56.718 0.400 1 438 266 53 ASP CB C 39.787 0.400 1 439 266 53 ASP N N 122.192 0.400 1 440 267 54 ALA H H 8.217 0.020 1 441 267 54 ALA HA H 3.840 0.020 1 442 267 54 ALA HB H 1.357 0.020 1 443 267 54 ALA C C 180.507 0.400 1 444 267 54 ALA CA C 55.836 0.400 1 445 267 54 ALA CB C 17.386 0.400 1 446 267 54 ALA N N 121.612 0.400 1 447 268 55 GLY H H 8.481 0.020 1 448 268 55 GLY C C 174.929 0.400 1 449 268 55 GLY CA C 46.546 0.400 1 450 268 55 GLY N N 107.453 0.400 1 451 269 56 ALA H H 7.759 0.020 1 452 269 56 ALA HA H 4.190 0.020 1 453 269 56 ALA HB H 1.452 0.020 1 454 269 56 ALA C C 180.493 0.400 1 455 269 56 ALA CA C 55.311 0.400 1 456 269 56 ALA CB C 17.951 0.400 1 457 269 56 ALA N N 125.518 0.400 1 458 270 57 LEU H H 8.224 0.020 1 459 270 57 LEU HA H 3.840 0.020 1 460 270 57 LEU HD1 H 0.717 0.020 1 461 270 57 LEU HG H 0.729 0.020 1 462 270 57 LEU C C 177.499 0.400 1 463 270 57 LEU CA C 58.315 0.400 1 464 270 57 LEU CB C 43.182 0.400 1 465 270 57 LEU CD1 C 22.857 0.400 1 466 270 57 LEU CG C 26.959 0.400 1 467 270 57 LEU N N 121.610 0.400 1 468 271 58 THR H H 7.976 0.020 1 469 271 58 THR HA H 4.432 0.020 1 470 271 58 THR HB H 3.680 0.020 1 471 271 58 THR HG2 H 1.148 0.020 1 472 271 58 THR C C 174.457 0.400 1 473 271 58 THR CA C 68.788 0.400 1 474 271 58 THR CB C 67.557 0.400 1 475 271 58 THR CG2 C 20.097 0.400 1 476 271 58 THR N N 115.528 0.400 1 477 272 59 THR H H 8.085 0.020 1 478 272 59 THR HA H 3.911 0.020 1 479 272 59 THR HB H 3.980 0.020 1 480 272 59 THR HG2 H 1.113 0.020 1 481 272 59 THR C C 176.131 0.400 1 482 272 59 THR CA C 65.908 0.400 1 483 272 59 THR CB C 69.045 0.400 1 484 272 59 THR CG2 C 21.267 0.400 1 485 272 59 THR N N 114.864 0.400 1 486 273 60 THR H H 7.875 0.020 1 487 273 60 THR HA H 3.423 0.020 1 488 273 60 THR HB H 3.690 0.020 1 489 273 60 THR HG2 H 0.380 0.020 1 490 273 60 THR C C 175.166 0.400 1 491 273 60 THR CA C 67.291 0.400 1 492 273 60 THR CB C 68.824 0.400 1 493 273 60 THR CG2 C 20.275 0.400 1 494 273 60 THR N N 116.718 0.400 1 495 274 61 PHE H H 8.219 0.020 1 496 274 61 PHE HA H 4.213 0.020 1 497 274 61 PHE HB2 H 2.465 0.020 1 498 274 61 PHE HB3 H 2.465 0.020 1 499 274 61 PHE HD1 H 6.709 0.020 1 500 274 61 PHE HE1 H 6.479 0.020 1 501 274 61 PHE HZ H 6.594 0.020 1 502 274 61 PHE C C 178.034 0.400 1 503 274 61 PHE CA C 63.308 0.400 1 504 274 61 PHE CB C 37.080 0.400 1 505 274 61 PHE CD1 C 131.433 0.400 1 506 274 61 PHE CE1 C 129.594 0.400 1 507 274 61 PHE CZ C 128.117 0.400 1 508 274 61 PHE N N 114.721 0.400 1 509 275 62 GLU H H 8.810 0.020 1 510 275 62 GLU HA H 4.416 0.020 1 511 275 62 GLU HB2 H 2.021 0.020 2 512 275 62 GLU HB3 H 2.277 0.020 2 513 275 62 GLU HG2 H 2.548 0.020 2 514 275 62 GLU HG3 H 2.269 0.020 2 515 275 62 GLU C C 181.232 0.400 1 516 275 62 GLU CA C 60.190 0.400 1 517 275 62 GLU CB C 28.990 0.400 1 518 275 62 GLU CG C 37.706 0.400 1 519 275 62 GLU N N 123.787 0.400 1 520 276 63 GLU H H 7.698 0.020 1 521 276 63 GLU HA H 3.871 0.020 1 522 276 63 GLU HB3 H 1.960 0.020 1 523 276 63 GLU HG2 H 2.458 0.020 2 524 276 63 GLU HG3 H 2.181 0.020 2 525 276 63 GLU C C 176.721 0.400 1 526 276 63 GLU CA C 58.821 0.400 1 527 276 63 GLU CB C 29.251 0.400 1 528 276 63 GLU CG C 36.867 0.400 1 529 276 63 GLU N N 120.707 0.400 1 530 277 64 LEU H H 6.708 0.020 1 531 277 64 LEU HA H 4.148 0.020 1 532 277 64 LEU HD1 H 0.732 0.020 2 533 277 64 LEU HD2 H 1.668 0.020 2 534 277 64 LEU HG H 0.485 0.020 1 535 277 64 LEU C C 174.571 0.400 1 536 277 64 LEU CA C 54.060 0.400 1 537 277 64 LEU CD1 C 21.933 0.400 1 538 277 64 LEU CD2 C 25.665 0.400 1 539 277 64 LEU CG C 25.458 0.400 1 540 277 64 LEU N N 115.451 0.400 1 541 278 65 HIS H H 7.388 0.020 1 542 278 65 HIS HA H 4.259 0.020 1 543 278 65 HIS HB2 H 3.128 0.020 2 544 278 65 HIS HB3 H 3.506 0.020 2 545 278 65 HIS C C 174.571 0.400 1 546 278 65 HIS CA C 57.737 0.400 1 547 278 65 HIS CB C 26.020 0.400 1 548 278 65 HIS N N 107.287 0.400 1 549 279 66 PHE H H 8.554 0.020 1 550 279 66 PHE HA H 4.462 0.020 1 551 279 66 PHE HB2 H 2.430 0.020 1 552 279 66 PHE HB3 H 2.430 0.020 1 553 279 66 PHE HD1 H 6.709 0.020 1 554 279 66 PHE HE1 H 6.479 0.020 1 555 279 66 PHE HZ H 6.594 0.020 1 556 279 66 PHE C C 174.258 0.400 1 557 279 66 PHE CA C 58.032 0.400 1 558 279 66 PHE CB C 39.809 0.400 1 559 279 66 PHE CD1 C 131.433 0.400 1 560 279 66 PHE CE1 C 129.594 0.400 1 561 279 66 PHE CZ C 128.117 0.400 1 562 279 66 PHE N N 117.992 0.400 1 563 280 67 GLU H H 8.403 0.020 1 564 280 67 GLU HA H 4.631 0.020 1 565 280 67 GLU HB2 H 1.789 0.020 2 566 280 67 GLU HB3 H 1.946 0.020 2 567 280 67 GLU C C 174.640 0.400 1 568 280 67 GLU CA C 55.467 0.400 1 569 280 67 GLU CB C 30.671 0.400 1 570 280 67 GLU CG C 36.448 0.400 1 571 280 67 GLU N N 120.980 0.400 1 572 281 68 ILE H H 8.988 0.020 1 573 281 68 ILE HA H 4.491 0.020 1 574 281 68 ILE HB H 2.207 0.020 1 575 281 68 ILE HD1 H 0.719 0.020 1 576 281 68 ILE HG12 H 1.921 0.020 1 577 281 68 ILE HG2 H 0.921 0.020 1 578 281 68 ILE C C 176.177 0.400 1 579 281 68 ILE CA C 59.688 0.400 1 580 281 68 ILE CB C 35.090 0.400 1 581 281 68 ILE CD1 C 10.410 0.400 1 582 281 68 ILE CG1 C 27.664 0.400 1 583 281 68 ILE CG2 C 18.476 0.400 1 584 281 68 ILE N N 127.994 0.400 1 585 282 69 LYS H H 8.559 0.020 1 586 282 69 LYS HA H 4.981 0.020 1 587 282 69 LYS CA C 50.465 0.400 1 588 282 69 LYS CB C 32.762 0.400 1 589 282 69 LYS CD C 28.679 0.400 1 590 282 69 LYS CG C 22.735 0.400 1 591 282 69 LYS N N 126.350 0.400 1 592 283 70 PRO HA H 5.133 0.020 1 593 283 70 PRO C C 176.378 0.400 1 594 283 70 PRO CA C 62.027 0.400 1 595 283 70 PRO CB C 32.856 0.400 1 596 283 70 PRO CG C 25.943 0.400 1 597 284 71 HIS H H 8.967 0.020 1 598 284 71 HIS HA H 4.465 0.020 1 599 284 71 HIS HB2 H 2.816 0.020 1 600 284 71 HIS HB3 H 2.816 0.020 1 601 284 71 HIS HD2 H 6.648 0.020 1 602 284 71 HIS C C 172.714 0.400 1 603 284 71 HIS CA C 55.994 0.400 1 604 284 71 HIS CB C 33.678 0.400 1 605 284 71 HIS CD2 C 118.976 0.400 1 606 284 71 HIS N N 121.708 0.400 1 607 285 72 ASP H H 8.625 0.020 1 608 285 72 ASP HA H 5.695 0.020 1 609 285 72 ASP HB2 H 2.664 0.020 2 610 285 72 ASP HB3 H 2.530 0.020 2 611 285 72 ASP C C 175.881 0.400 1 612 285 72 ASP CA C 53.201 0.400 1 613 285 72 ASP CB C 43.758 0.400 1 614 285 72 ASP N N 122.941 0.400 1 615 286 73 ASP H H 9.212 0.020 1 616 286 73 ASP HA H 4.263 0.020 1 617 286 73 ASP HB2 H 2.782 0.020 1 618 286 73 ASP C C 174.368 0.400 1 619 286 73 ASP CA C 56.488 0.400 1 620 286 73 ASP CB C 39.083 0.400 1 621 286 73 ASP N N 119.175 0.400 1 622 287 74 CYS H H 8.750 0.020 1 623 287 74 CYS HA H 4.854 0.020 1 624 287 74 CYS HB2 H 2.541 0.020 2 625 287 74 CYS HB3 H 2.830 0.020 2 626 287 74 CYS C C 176.146 0.400 1 627 287 74 CYS CA C 58.552 0.400 1 628 287 74 CYS CB C 53.204 0.400 1 629 287 74 CYS N N 119.631 0.400 1 630 288 75 THR H H 8.535 0.020 1 631 288 75 THR HA H 4.163 0.020 1 632 288 75 THR HB H 4.594 0.020 1 633 288 75 THR HG2 H 1.207 0.020 1 634 288 75 THR C C 174.663 0.400 1 635 288 75 THR CA C 61.353 0.400 1 636 288 75 THR CB C 70.100 0.400 1 637 288 75 THR CG2 C 22.192 0.400 1 638 288 75 THR N N 115.998 0.400 1 639 289 76 VAL H H 8.083 0.020 1 640 289 76 VAL HA H 3.414 0.020 1 641 289 76 VAL HB H 2.044 0.020 1 642 289 76 VAL HG1 H 0.856 0.020 2 643 289 76 VAL HG2 H 0.817 0.020 2 644 289 76 VAL C C 176.443 0.400 1 645 289 76 VAL CA C 69.066 0.400 1 646 289 76 VAL CB C 30.361 0.400 1 647 289 76 VAL CG1 C 22.455 0.400 1 648 289 76 VAL CG2 C 26.506 0.400 1 649 289 76 VAL N N 120.599 0.400 1 650 290 77 GLU H H 9.095 0.020 1 651 290 77 GLU HA H 4.027 0.020 1 652 290 77 GLU HB2 H 2.035 0.020 2 653 290 77 GLU HB3 H 1.911 0.020 2 654 290 77 GLU HG2 H 2.236 0.020 2 655 290 77 GLU HG3 H 2.365 0.020 2 656 290 77 GLU C C 179.172 0.400 1 657 290 77 GLU CA C 59.831 0.400 1 658 290 77 GLU CB C 29.493 0.400 1 659 290 77 GLU CG C 36.223 0.400 1 660 290 77 GLU N N 119.191 0.400 1 661 291 78 GLN H H 7.523 0.020 1 662 291 78 GLN HA H 4.079 0.020 1 663 291 78 GLN HB2 H 1.922 0.020 1 664 291 78 GLN HB3 H 1.922 0.020 1 665 291 78 GLN HG2 H 2.431 0.020 1 666 291 78 GLN HG3 H 2.431 0.020 1 667 291 78 GLN C C 177.815 0.400 1 668 291 78 GLN CA C 58.920 0.400 1 669 291 78 GLN CG C 35.031 0.400 1 670 291 78 GLN N N 117.101 0.400 1 671 292 79 ILE H H 8.368 0.020 1 672 292 79 ILE HA H 3.427 0.020 1 673 292 79 ILE HB H 1.970 0.020 1 674 292 79 ILE HD1 H 0.574 0.020 1 675 292 79 ILE HG12 H 0.681 0.020 1 676 292 79 ILE HG13 H 0.681 0.020 1 677 292 79 ILE HG2 H 0.574 0.020 1 678 292 79 ILE C C 177.133 0.400 1 679 292 79 ILE CA C 67.132 0.400 1 680 292 79 ILE CB C 37.163 0.400 1 681 292 79 ILE CD1 C 12.564 0.400 1 682 292 79 ILE CG1 C 29.399 0.400 1 683 292 79 ILE CG2 C 16.426 0.400 1 684 292 79 ILE N N 120.006 0.400 1 685 293 80 TYR H H 8.302 0.020 1 686 293 80 TYR HA H 4.179 0.020 1 687 293 80 TYR HB2 H 1.967 0.020 2 688 293 80 TYR HB3 H 2.997 0.020 2 689 293 80 TYR HD1 H 7.100 0.020 1 690 293 80 TYR HE1 H 6.589 0.020 1 691 293 80 TYR C C 178.907 0.400 1 692 293 80 TYR CA C 61.737 0.400 1 693 293 80 TYR CB C 37.201 0.400 1 694 293 80 TYR CD1 C 131.935 0.400 1 695 293 80 TYR CE1 C 118.109 0.400 1 696 293 80 TYR N N 116.291 0.400 1 697 294 81 GLU H H 8.170 0.020 1 698 294 81 GLU HA H 4.036 0.020 1 699 294 81 GLU HB2 H 2.175 0.020 2 700 294 81 GLU HB3 H 2.025 0.020 2 701 294 81 GLU HG2 H 2.175 0.020 2 702 294 81 GLU HG3 H 2.376 0.020 2 703 294 81 GLU C C 178.414 0.400 1 704 294 81 GLU CA C 59.768 0.400 1 705 294 81 GLU CB C 29.489 0.400 1 706 294 81 GLU CG C 36.278 0.400 1 707 294 81 GLU N N 120.325 0.400 1 708 295 82 ILE H H 8.501 0.020 1 709 295 82 ILE HA H 3.675 0.020 1 710 295 82 ILE HB H 1.726 0.020 1 711 295 82 ILE HD1 H 0.447 0.020 1 712 295 82 ILE HG12 H 0.512 0.020 1 713 295 82 ILE HG13 H 0.512 0.020 1 714 295 82 ILE HG2 H 0.650 0.020 1 715 295 82 ILE C C 177.751 0.400 1 716 295 82 ILE CA C 65.288 0.400 1 717 295 82 ILE CB C 38.497 0.400 1 718 295 82 ILE CD1 C 15.315 0.400 1 719 295 82 ILE CG1 C 29.743 0.400 1 720 295 82 ILE CG2 C 17.922 0.400 1 721 295 82 ILE N N 120.434 0.400 1 722 296 83 LEU H H 8.508 0.020 1 723 296 83 LEU HA H 4.289 0.020 1 724 296 83 LEU HB2 H 2.175 0.020 2 725 296 83 LEU HB3 H 1.982 0.020 2 726 296 83 LEU HD1 H 0.757 0.020 2 727 296 83 LEU HD2 H 1.052 0.020 2 728 296 83 LEU HG H 1.000 0.020 1 729 296 83 LEU C C 178.393 0.400 1 730 296 83 LEU CA C 58.937 0.400 1 731 296 83 LEU CB C 39.626 0.400 1 732 296 83 LEU CD1 C 19.050 0.400 1 733 296 83 LEU CD2 C 22.370 0.400 1 734 296 83 LEU CG C 27.238 0.400 1 735 296 83 LEU N N 116.807 0.400 1 736 297 84 LYS H H 8.048 0.020 1 737 297 84 LYS HA H 3.967 0.020 1 738 297 84 LYS HD2 H 1.683 0.020 1 739 297 84 LYS HD3 H 1.683 0.020 1 740 297 84 LYS HE2 H 3.452 0.020 1 741 297 84 LYS HE3 H 3.452 0.020 1 742 297 84 LYS HG2 H 1.373 0.020 2 743 297 84 LYS HG3 H 1.490 0.020 2 744 297 84 LYS C C 177.773 0.400 1 745 297 84 LYS CA C 58.890 0.400 1 746 297 84 LYS CB C 31.169 0.400 1 747 297 84 LYS CD C 28.787 0.400 1 748 297 84 LYS CE C 41.853 0.400 1 749 297 84 LYS CG C 24.649 0.400 1 750 297 84 LYS N N 118.687 0.400 1 751 298 85 ILE H H 7.694 0.020 1 752 298 85 ILE HA H 3.456 0.020 1 753 298 85 ILE HB H 2.167 0.020 1 754 298 85 ILE HD1 H 0.820 0.020 1 755 298 85 ILE HG12 H 1.030 0.020 1 756 298 85 ILE HG13 H 1.030 0.020 1 757 298 85 ILE HG2 H 0.320 0.020 1 758 298 85 ILE C C 179.100 0.400 1 759 298 85 ILE CA C 65.307 0.400 1 760 298 85 ILE CB C 36.965 0.400 1 761 298 85 ILE CD1 C 13.068 0.400 1 762 298 85 ILE CG1 C 28.954 0.400 1 763 298 85 ILE CG2 C 16.174 0.400 1 764 298 85 ILE N N 118.157 0.400 1 765 299 86 TYR H H 7.613 0.020 1 766 299 86 TYR HA H 4.103 0.020 1 767 299 86 TYR HB2 H 2.980 0.020 1 768 299 86 TYR HB3 H 2.980 0.020 1 769 299 86 TYR HD1 H 7.268 0.020 1 770 299 86 TYR HE1 H 6.169 0.020 1 771 299 86 TYR C C 177.425 0.400 1 772 299 86 TYR CA C 63.129 0.400 1 773 299 86 TYR CB C 38.745 0.400 1 774 299 86 TYR CD1 C 133.199 0.400 1 775 299 86 TYR CE1 C 117.524 0.400 1 776 299 86 TYR N N 115.499 0.400 1 777 300 87 GLN H H 9.112 0.020 1 778 300 87 GLN HA H 3.977 0.020 1 779 300 87 GLN HB3 H 2.305 0.020 1 780 300 87 GLN HG2 H 2.095 0.020 1 781 300 87 GLN C C 176.380 0.400 1 782 300 87 GLN CA C 58.976 0.400 1 783 300 87 GLN CB C 28.819 0.400 1 784 300 87 GLN CG C 33.485 0.400 1 785 300 87 GLN N N 125.039 0.400 1 786 301 88 LEU H H 7.536 0.020 1 787 301 88 LEU HA H 4.309 0.020 1 788 301 88 LEU HB2 H 0.841 0.020 2 789 301 88 LEU HB3 H 1.579 0.020 2 790 301 88 LEU HD1 H 0.873 0.020 2 791 301 88 LEU HD2 H 0.818 0.020 2 792 301 88 LEU HG H 1.579 0.020 1 793 301 88 LEU C C 177.129 0.400 1 794 301 88 LEU CA C 55.142 0.400 1 795 301 88 LEU CB C 41.809 0.400 1 796 301 88 LEU CD1 C 24.905 0.400 1 797 301 88 LEU CD2 C 23.038 0.400 1 798 301 88 LEU CG C 26.699 0.400 1 799 301 88 LEU N N 115.623 0.400 1 800 302 89 MET H H 7.025 0.020 1 801 302 89 MET HA H 4.031 0.020 1 802 302 89 MET HB2 H 1.642 0.020 2 803 302 89 MET HB3 H 1.896 0.020 2 804 302 89 MET HE H 1.378 0.020 1 805 302 89 MET HG2 H 2.220 0.020 2 806 302 89 MET HG3 H 2.170 0.020 2 807 302 89 MET C C 172.664 0.400 1 808 302 89 MET CA C 55.513 0.400 1 809 302 89 MET CB C 33.748 0.400 1 810 302 89 MET CE C 16.240 0.400 1 811 302 89 MET CG C 31.632 0.400 1 812 302 89 MET N N 120.789 0.400 1 813 303 90 ASP H H 8.056 0.020 1 814 303 90 ASP HA H 4.746 0.020 1 815 303 90 ASP HB2 H 2.638 0.020 1 816 303 90 ASP HB3 H 2.638 0.020 1 817 303 90 ASP C C 177.139 0.400 1 818 303 90 ASP CA C 54.411 0.400 1 819 303 90 ASP CB C 40.987 0.400 1 820 303 90 ASP N N 117.873 0.400 1 821 304 91 HIS H H 9.371 0.020 1 822 304 91 HIS HA H 4.657 0.020 1 823 304 91 HIS HB2 H 2.598 0.020 2 824 304 91 HIS HB3 H 3.246 0.020 2 825 304 91 HIS HD2 H 6.884 0.020 1 826 304 91 HIS C C 177.332 0.400 1 827 304 91 HIS CA C 56.031 0.400 1 828 304 91 HIS CB C 31.150 0.400 1 829 304 91 HIS CD2 C 119.961 0.400 1 830 304 91 HIS N N 126.666 0.400 1 831 305 92 SER H H 8.952 0.020 1 832 305 92 SER HA H 4.055 0.020 1 833 305 92 SER HB2 H 3.917 0.020 1 834 305 92 SER HB3 H 3.917 0.020 1 835 305 92 SER CA C 63.687 0.400 1 836 305 92 SER CB C 62.694 0.400 1 837 305 92 SER N N 118.610 0.400 1 838 306 93 ASN H H 8.745 0.020 1 839 306 93 ASN HA H 4.803 0.020 1 840 306 93 ASN HB2 H 2.586 0.020 2 841 306 93 ASN HB3 H 2.909 0.020 2 842 306 93 ASN C C 173.428 0.400 1 843 306 93 ASN CA C 53.018 0.400 1 844 306 93 ASN CB C 38.033 0.400 1 845 306 93 ASN N N 116.257 0.400 1 846 307 94 MET H H 7.942 0.020 1 847 307 94 MET HA H 4.683 0.020 1 848 307 94 MET HB2 H 2.540 0.020 1 849 307 94 MET HB3 H 2.540 0.020 1 850 307 94 MET HE H 1.454 0.020 1 851 307 94 MET C C 174.640 0.400 1 852 307 94 MET CA C 53.564 0.400 1 853 307 94 MET CB C 33.988 0.400 1 854 307 94 MET CE C 17.647 0.400 1 855 307 94 MET CG C 32.770 0.400 1 856 307 94 MET N N 117.799 0.400 1 857 308 95 ASP H H 8.276 0.020 1 858 308 95 ASP HA H 5.172 0.020 1 859 308 95 ASP HB2 H 2.687 0.020 2 860 308 95 ASP HB3 H 3.440 0.020 2 861 308 95 ASP C C 176.264 0.400 1 862 308 95 ASP CA C 55.617 0.400 1 863 308 95 ASP CB C 45.114 0.400 1 864 308 95 ASP N N 119.567 0.400 1 865 309 96 CYS H H 8.215 0.020 1 866 309 96 CYS HA H 4.680 0.020 1 867 309 96 CYS HB2 H 2.894 0.020 2 868 309 96 CYS HB3 H 2.609 0.020 2 869 309 96 CYS C C 170.157 0.400 1 870 309 96 CYS CA C 57.203 0.400 1 871 309 96 CYS CB C 52.974 0.400 1 872 309 96 CYS N N 118.264 0.400 1 873 310 97 PHE H H 8.108 0.020 1 874 310 97 PHE HA H 5.071 0.020 1 875 310 97 PHE HB2 H 3.135 0.020 2 876 310 97 PHE HB3 H 2.330 0.020 2 877 310 97 PHE HD1 H 6.876 0.020 1 878 310 97 PHE HE1 H 6.157 0.020 1 879 310 97 PHE C C 171.279 0.400 1 880 310 97 PHE CA C 57.910 0.400 1 881 310 97 PHE CB C 44.724 0.400 1 882 310 97 PHE CD1 C 130.728 0.400 1 883 310 97 PHE CE1 C 129.594 0.400 1 884 310 97 PHE N N 125.767 0.400 1 885 311 98 ILE H H 7.647 0.020 1 886 311 98 ILE HA H 4.581 0.020 1 887 311 98 ILE HB H 0.651 0.020 1 888 311 98 ILE HD1 H -0.727 0.020 1 889 311 98 ILE HG12 H 0.629 0.020 2 890 311 98 ILE HG13 H 0.301 0.020 2 891 311 98 ILE HG2 H -0.059 0.020 1 892 311 98 ILE C C 172.012 0.400 1 893 311 98 ILE CA C 58.312 0.400 1 894 311 98 ILE CB C 39.964 0.400 1 895 311 98 ILE CD1 C 13.005 0.400 1 896 311 98 ILE CG1 C 26.733 0.400 1 897 311 98 ILE CG2 C 17.284 0.400 1 898 311 98 ILE N N 125.102 0.400 1 899 312 99 CYS H H 8.309 0.020 1 900 312 99 CYS HA H 4.471 0.020 1 901 312 99 CYS C C 171.965 0.400 1 902 312 99 CYS CA C 56.347 0.400 1 903 312 99 CYS CB C 51.093 0.400 1 904 312 99 CYS N N 124.548 0.400 1 905 313 100 CYS H H 9.116 0.020 1 906 313 100 CYS HA H 5.880 0.020 1 907 313 100 CYS HB2 H 2.277 0.020 2 908 313 100 CYS HB3 H 2.953 0.020 2 909 313 100 CYS C C 173.635 0.400 1 910 313 100 CYS CA C 55.906 0.400 1 911 313 100 CYS CB C 52.685 0.400 1 912 313 100 CYS N N 127.015 0.400 1 913 314 101 ILE H H 8.896 0.020 1 914 314 101 ILE HA H 4.737 0.020 1 915 314 101 ILE HB H 1.754 0.020 1 916 314 101 ILE HD1 H 0.739 0.020 1 917 314 101 ILE HG12 H 1.588 0.020 1 918 314 101 ILE HG13 H 1.588 0.020 1 919 314 101 ILE HG2 H 0.750 0.020 1 920 314 101 ILE C C 172.277 0.400 1 921 314 101 ILE CA C 60.937 0.400 1 922 314 101 ILE CB C 40.848 0.400 1 923 314 101 ILE CD1 C 13.394 0.400 1 924 314 101 ILE CG1 C 27.551 0.400 1 925 314 101 ILE CG2 C 16.806 0.400 1 926 314 101 ILE N N 121.994 0.400 1 927 315 102 LEU H H 8.951 0.020 1 928 315 102 LEU HA H 5.285 0.020 1 929 315 102 LEU HB3 H 1.724 0.020 1 930 315 102 LEU HD1 H 0.822 0.020 1 931 315 102 LEU C C 174.789 0.400 1 932 315 102 LEU CA C 52.489 0.400 1 933 315 102 LEU CB C 40.041 0.400 1 934 315 102 LEU CD1 C 25.325 0.400 1 935 315 102 LEU CG C 26.480 0.400 1 936 315 102 LEU N N 127.404 0.400 1 937 316 103 SER H H 9.096 0.020 1 938 316 103 SER HA H 4.680 0.020 1 939 316 103 SER HB2 H 4.697 0.020 1 940 316 103 SER HB3 H 4.697 0.020 1 941 316 103 SER C C 174.555 0.400 1 942 316 103 SER CA C 56.403 0.400 1 943 316 103 SER CB C 63.224 0.400 1 944 316 103 SER N N 113.273 0.400 1 945 317 104 HIS H H 7.515 0.020 1 946 317 104 HIS HA H 5.214 0.020 1 947 317 104 HIS HB2 H 3.117 0.020 2 948 317 104 HIS HB3 H 2.342 0.020 2 949 317 104 HIS HD2 H 6.592 0.020 1 950 317 104 HIS C C 175.667 0.400 1 951 317 104 HIS CA C 56.371 0.400 1 952 317 104 HIS CB C 34.676 0.400 1 953 317 104 HIS CD2 C 118.614 0.400 1 954 317 104 HIS N N 114.740 0.400 1 955 318 105 GLY H H 8.368 0.020 1 956 318 105 GLY C C 169.470 0.400 1 957 318 105 GLY CA C 45.558 0.400 1 958 318 105 GLY N N 107.330 0.400 1 959 319 106 ASP H H 7.943 0.020 1 960 319 106 ASP HA H 4.622 0.020 1 961 319 106 ASP HB2 H 2.640 0.020 2 962 319 106 ASP HB3 H 2.434 0.020 2 963 319 106 ASP C C 175.179 0.400 1 964 319 106 ASP CA C 53.188 0.400 1 965 319 106 ASP CB C 43.555 0.400 1 966 319 106 ASP N N 116.893 0.400 1 967 320 107 LYS H H 9.376 0.020 1 968 320 107 LYS HA H 3.956 0.020 1 969 320 107 LYS HB2 H 1.793 0.020 1 970 320 107 LYS HB3 H 1.793 0.020 1 971 320 107 LYS HD2 H 1.498 0.020 1 972 320 107 LYS HD3 H 1.498 0.020 1 973 320 107 LYS HE2 H 2.899 0.020 1 974 320 107 LYS HE3 H 2.899 0.020 1 975 320 107 LYS HG2 H 1.344 0.020 2 976 320 107 LYS HG3 H 1.498 0.020 2 977 320 107 LYS C C 176.864 0.400 1 978 320 107 LYS CA C 58.567 0.400 1 979 320 107 LYS CB C 30.568 0.400 1 980 320 107 LYS CD C 28.813 0.400 1 981 320 107 LYS CE C 41.720 0.400 1 982 320 107 LYS CG C 24.345 0.400 1 983 320 107 LYS N N 122.539 0.400 1 984 321 108 GLY H H 9.025 0.020 1 985 321 108 GLY C C 173.633 0.400 1 986 321 108 GLY CA C 45.491 0.400 1 987 321 108 GLY N N 111.919 0.400 1 988 322 109 ILE H H 8.157 0.020 1 989 322 109 ILE HA H 4.994 0.020 1 990 322 109 ILE HB H 1.401 0.020 1 991 322 109 ILE HD1 H 0.176 0.020 1 992 322 109 ILE HG12 H 0.705 0.020 2 993 322 109 ILE HG13 H 0.979 0.020 2 994 322 109 ILE HG2 H 0.625 0.020 1 995 322 109 ILE C C 174.524 0.400 1 996 322 109 ILE CA C 59.009 0.400 1 997 322 109 ILE CB C 43.375 0.400 1 998 322 109 ILE CD1 C 13.676 0.400 1 999 322 109 ILE CG1 C 26.373 0.400 1 1000 322 109 ILE CG2 C 18.739 0.400 1 1001 322 109 ILE N N 116.465 0.400 1 1002 323 110 ILE H H 8.443 0.020 1 1003 323 110 ILE HA H 4.530 0.020 1 1004 323 110 ILE HB H 1.753 0.020 1 1005 323 110 ILE HD1 H 0.668 0.020 1 1006 323 110 ILE HG12 H 1.426 0.020 2 1007 323 110 ILE HG13 H 1.003 0.020 2 1008 323 110 ILE HG2 H 0.765 0.020 1 1009 323 110 ILE C C 174.337 0.400 1 1010 323 110 ILE CA C 58.547 0.400 1 1011 323 110 ILE CB C 41.604 0.400 1 1012 323 110 ILE CD1 C 14.675 0.400 1 1013 323 110 ILE CG1 C 27.207 0.400 1 1014 323 110 ILE CG2 C 19.205 0.400 1 1015 323 110 ILE N N 116.661 0.400 1 1016 324 111 TYR H H 8.584 0.020 1 1017 324 111 TYR HA H 5.557 0.020 1 1018 324 111 TYR HB2 H 2.527 0.020 2 1019 324 111 TYR HB3 H 3.337 0.020 2 1020 324 111 TYR HD1 H 6.658 0.020 1 1021 324 111 TYR HE1 H 6.592 0.020 1 1022 324 111 TYR C C 178.528 0.400 1 1023 324 111 TYR CA C 56.571 0.400 1 1024 324 111 TYR CB C 39.984 0.400 1 1025 324 111 TYR CD1 C 131.750 0.400 1 1026 324 111 TYR CE1 C 118.106 0.400 1 1027 324 111 TYR N N 119.472 0.400 1 1028 325 112 GLY H H 8.522 0.020 1 1029 325 112 GLY C C 174.755 0.400 1 1030 325 112 GLY CA C 43.145 0.400 1 1031 325 112 GLY N N 107.078 0.400 1 1032 326 113 THR H H 8.245 0.020 1 1033 326 113 THR HA H 3.186 0.020 1 1034 326 113 THR HB H 4.175 0.020 1 1035 326 113 THR HG2 H 0.393 0.020 1 1036 326 113 THR C C 173.264 0.400 1 1037 326 113 THR CA C 64.857 0.400 1 1038 326 113 THR CB C 66.749 0.400 1 1039 326 113 THR CG2 C 22.575 0.400 1 1040 326 113 THR N N 113.146 0.400 1 1041 327 114 ASP H H 8.801 0.020 1 1042 327 114 ASP HA H 4.099 0.020 1 1043 327 114 ASP HB2 H 2.878 0.020 2 1044 327 114 ASP HB3 H 2.497 0.020 2 1045 327 114 ASP C C 176.262 0.400 1 1046 327 114 ASP CA C 52.768 0.400 1 1047 327 114 ASP CB C 39.312 0.400 1 1048 327 114 ASP N N 112.026 0.400 1 1049 328 115 GLY H H 8.462 0.020 1 1050 328 115 GLY HA2 H 4.010 0.020 1 1051 328 115 GLY HA3 H 4.010 0.020 1 1052 328 115 GLY C C 171.918 0.400 1 1053 328 115 GLY CA C 45.463 0.400 1 1054 328 115 GLY N N 107.749 0.400 1 1055 329 116 GLN H H 6.657 0.020 1 1056 329 116 GLN HA H 4.441 0.020 1 1057 329 116 GLN HB3 H 2.219 0.020 1 1058 329 116 GLN HE21 H 6.984 0.020 2 1059 329 116 GLN HE22 H 7.538 0.020 2 1060 329 116 GLN HG2 H 2.424 0.020 2 1061 329 116 GLN HG3 H 2.222 0.020 2 1062 329 116 GLN C C 174.196 0.400 1 1063 329 116 GLN CA C 55.204 0.400 1 1064 329 116 GLN CB C 28.541 0.400 1 1065 329 116 GLN CG C 34.899 0.400 1 1066 329 116 GLN N N 115.146 0.400 1 1067 329 116 GLN NE2 N 113.450 0.400 1 1068 330 117 GLU H H 8.624 0.020 1 1069 330 117 GLU HA H 4.733 0.020 1 1070 330 117 GLU C C 175.357 0.400 1 1071 330 117 GLU CA C 55.191 0.400 1 1072 330 117 GLU CB C 32.586 0.400 1 1073 330 117 GLU CG C 36.102 0.400 1 1074 330 117 GLU N N 119.031 0.400 1 1075 331 118 ALA H H 8.995 0.020 1 1076 331 118 ALA HA H 5.165 0.020 1 1077 331 118 ALA HB H 1.138 0.020 1 1078 331 118 ALA C C 173.650 0.400 1 1079 331 118 ALA CA C 48.343 0.400 1 1080 331 118 ALA CB C 20.353 0.400 1 1081 331 118 ALA N N 123.550 0.400 1 1082 332 119 PRO HA H 4.819 0.020 1 1083 332 119 PRO C C 177.819 0.400 1 1084 332 119 PRO CA C 62.007 0.400 1 1085 332 119 PRO CB C 32.081 0.400 1 1086 332 119 PRO CG C 28.001 0.400 1 1087 333 120 ILE H H 8.574 0.020 1 1088 333 120 ILE HA H 3.278 0.020 1 1089 333 120 ILE HB H 1.518 0.020 1 1090 333 120 ILE HD1 H 0.663 0.020 1 1091 333 120 ILE HG2 H 0.870 0.020 1 1092 333 120 ILE C C 177.316 0.400 1 1093 333 120 ILE CA C 66.025 0.400 1 1094 333 120 ILE CB C 37.991 0.400 1 1095 333 120 ILE CD1 C 13.486 0.400 1 1096 333 120 ILE CG1 C 30.357 0.400 1 1097 333 120 ILE CG2 C 17.493 0.400 1 1098 333 120 ILE N N 126.740 0.400 1 1099 334 121 TYR H H 9.192 0.020 1 1100 334 121 TYR HA H 3.942 0.020 1 1101 334 121 TYR HB2 H 2.528 0.020 2 1102 334 121 TYR HB3 H 3.063 0.020 2 1103 334 121 TYR HD1 H 6.486 0.020 1 1104 334 121 TYR HE1 H 6.411 0.020 1 1105 334 121 TYR C C 177.847 0.400 1 1106 334 121 TYR CA C 60.688 0.400 1 1107 334 121 TYR CB C 38.803 0.400 1 1108 334 121 TYR CD1 C 132.675 0.400 1 1109 334 121 TYR CE1 C 117.462 0.400 1 1110 334 121 TYR N N 117.479 0.400 1 1111 335 122 GLU H H 7.178 0.020 1 1112 335 122 GLU HA H 3.751 0.020 1 1113 335 122 GLU HB3 H 2.272 0.020 1 1114 335 122 GLU C C 176.427 0.400 1 1115 335 122 GLU CA C 58.378 0.400 1 1116 335 122 GLU CB C 29.477 0.400 1 1117 335 122 GLU CG C 36.551 0.400 1 1118 335 122 GLU N N 115.885 0.400 1 1119 336 123 LEU H H 7.440 0.020 1 1120 336 123 LEU HA H 4.123 0.020 1 1121 336 123 LEU HB2 H 1.144 0.020 1 1122 336 123 LEU HB3 H 1.144 0.020 1 1123 336 123 LEU HD1 H 0.600 0.020 2 1124 336 123 LEU HD2 H 0.364 0.020 2 1125 336 123 LEU HG H 1.894 0.020 1 1126 336 123 LEU C C 177.925 0.400 1 1127 336 123 LEU CA C 56.646 0.400 1 1128 336 123 LEU CB C 40.661 0.400 1 1129 336 123 LEU CD1 C 25.712 0.400 1 1130 336 123 LEU CD2 C 21.712 0.400 1 1131 336 123 LEU CG C 25.203 0.400 1 1132 336 123 LEU N N 115.934 0.400 1 1133 337 124 THR H H 8.009 0.020 1 1134 337 124 THR HA H 3.597 0.020 1 1135 337 124 THR HB H 3.526 0.020 1 1136 337 124 THR HG2 H 0.189 0.020 1 1137 337 124 THR C C 177.568 0.400 1 1138 337 124 THR CA C 64.110 0.400 1 1139 337 124 THR CB C 67.603 0.400 1 1140 337 124 THR CG2 C 19.922 0.400 1 1141 337 124 THR N N 107.827 0.400 1 1142 338 125 SER H H 7.435 0.020 1 1143 338 125 SER HA H 3.723 0.020 1 1144 338 125 SER HB2 H 2.993 0.020 2 1145 338 125 SER HB3 H 3.635 0.020 2 1146 338 125 SER C C 174.040 0.400 1 1147 338 125 SER CA C 60.514 0.400 1 1148 338 125 SER CB C 62.391 0.400 1 1149 338 125 SER N N 112.670 0.400 1 1150 339 126 GLN H H 7.071 0.020 1 1151 339 126 GLN HA H 3.850 0.020 1 1152 339 126 GLN HB2 H 1.626 0.020 1 1153 339 126 GLN HB3 H 1.626 0.020 1 1154 339 126 GLN HG2 H 2.700 0.020 1 1155 339 126 GLN HG3 H 2.700 0.020 1 1156 339 126 GLN C C 173.915 0.400 1 1157 339 126 GLN CA C 56.106 0.400 1 1158 339 126 GLN CB C 27.028 0.400 1 1159 339 126 GLN CG C 32.732 0.400 1 1160 339 126 GLN N N 117.347 0.400 1 1161 340 127 PHE H H 7.355 0.020 1 1162 340 127 PHE HA H 4.515 0.020 1 1163 340 127 PHE HB2 H 2.978 0.020 1 1164 340 127 PHE HB3 H 2.978 0.020 1 1165 340 127 PHE C C 175.241 0.400 1 1166 340 127 PHE CA C 57.914 0.400 1 1167 340 127 PHE CB C 38.496 0.400 1 1168 340 127 PHE N N 110.412 0.400 1 1169 341 128 THR H H 6.785 0.020 1 1170 341 128 THR HA H 4.294 0.020 1 1171 341 128 THR HB H 4.203 0.020 1 1172 341 128 THR HG2 H 1.162 0.020 1 1173 341 128 THR C C 174.727 0.400 1 1174 341 128 THR CA C 62.016 0.400 1 1175 341 128 THR CB C 69.757 0.400 1 1176 341 128 THR CG2 C 21.341 0.400 1 1177 341 128 THR N N 107.455 0.400 1 1178 342 129 GLY H H 10.506 0.020 1 1179 342 129 GLY HA2 H 3.841 0.020 2 1180 342 129 GLY HA3 H 3.648 0.020 2 1181 342 129 GLY C C 175.631 0.400 1 1182 342 129 GLY CA C 47.056 0.400 1 1183 342 129 GLY N N 111.023 0.400 1 1184 343 130 LEU H H 8.003 0.020 1 1185 343 130 LEU HA H 4.135 0.020 1 1186 343 130 LEU HB2 H 1.430 0.020 2 1187 343 130 LEU HB3 H 1.571 0.020 2 1188 343 130 LEU HD1 H 0.842 0.020 2 1189 343 130 LEU HD2 H 0.879 0.020 2 1190 343 130 LEU HG H 1.591 0.020 1 1191 343 130 LEU C C 178.627 0.400 1 1192 343 130 LEU CA C 56.606 0.400 1 1193 343 130 LEU CB C 42.399 0.400 1 1194 343 130 LEU CD1 C 23.599 0.400 1 1195 343 130 LEU CD2 C 24.466 0.400 1 1196 343 130 LEU CG C 26.920 0.400 1 1197 343 130 LEU N N 116.983 0.400 1 1198 344 131 LYS H H 6.961 0.020 1 1199 344 131 LYS HA H 4.001 0.020 1 1200 344 131 LYS HB2 H 1.549 0.020 1 1201 344 131 LYS HB3 H 1.549 0.020 1 1202 344 131 LYS HD2 H 1.500 0.020 1 1203 344 131 LYS HE2 H 2.821 0.020 1 1204 344 131 LYS HE3 H 2.821 0.020 1 1205 344 131 LYS HG2 H 1.335 0.020 2 1206 344 131 LYS HG3 H 1.158 0.020 2 1207 344 131 LYS C C 176.224 0.400 1 1208 344 131 LYS CA C 57.534 0.400 1 1209 344 131 LYS CB C 33.404 0.400 1 1210 344 131 LYS CD C 28.872 0.400 1 1211 344 131 LYS CE C 41.874 0.400 1 1212 344 131 LYS CG C 25.766 0.400 1 1213 344 131 LYS N N 116.907 0.400 1 1214 345 132 CYS H H 8.564 0.020 1 1215 345 132 CYS HA H 4.930 0.020 1 1216 345 132 CYS HB2 H 2.560 0.020 2 1217 345 132 CYS HB3 H 2.485 0.020 2 1218 345 132 CYS C C 172.261 0.400 1 1219 345 132 CYS CA C 56.566 0.400 1 1220 345 132 CYS CB C 49.011 0.400 1 1221 345 132 CYS N N 117.718 0.400 1 1222 346 133 PRO HA H 4.719 0.020 1 1223 346 133 PRO HB2 H 2.320 0.020 2 1224 346 133 PRO HB3 H 2.000 0.020 2 1225 346 133 PRO HD3 H 3.486 0.020 1 1226 346 133 PRO HG2 H 1.853 0.020 1 1227 346 133 PRO HG3 H 1.853 0.020 1 1228 346 133 PRO C C 179.500 0.400 1 1229 346 133 PRO CA C 62.681 0.400 1 1230 346 133 PRO CB C 34.366 0.400 1 1231 346 133 PRO CD C 50.112 0.400 1 1232 346 133 PRO CG C 24.558 0.400 1 1233 347 134 SER H H 8.896 0.020 1 1234 347 134 SER HA H 4.415 0.020 1 1235 347 134 SER HB2 H 4.090 0.020 1 1236 347 134 SER HB3 H 4.090 0.020 1 1237 347 134 SER C C 174.434 0.400 1 1238 347 134 SER CA C 60.509 0.400 1 1239 347 134 SER CB C 62.207 0.400 1 1240 347 134 SER N N 112.882 0.400 1 1241 348 135 LEU H H 7.549 0.020 1 1242 348 135 LEU HA H 4.466 0.020 1 1243 348 135 LEU HB2 H 1.375 0.020 2 1244 348 135 LEU HB3 H 1.524 0.020 2 1245 348 135 LEU HD1 H 0.533 0.020 2 1246 348 135 LEU HD2 H 0.540 0.020 2 1247 348 135 LEU HG H 0.070 0.020 1 1248 348 135 LEU C C 176.458 0.400 1 1249 348 135 LEU CA C 53.787 0.400 1 1250 348 135 LEU CB C 44.189 0.400 1 1251 348 135 LEU CD1 C 22.724 0.400 1 1252 348 135 LEU CD2 C 26.470 0.400 1 1253 348 135 LEU CG C 25.487 0.400 1 1254 348 135 LEU N N 118.501 0.400 1 1255 349 136 ALA H H 7.776 0.020 1 1256 349 136 ALA HA H 4.056 0.020 1 1257 349 136 ALA HB H 1.539 0.020 1 1258 349 136 ALA C C 178.620 0.400 1 1259 349 136 ALA CA C 54.406 0.400 1 1260 349 136 ALA CB C 17.934 0.400 1 1261 349 136 ALA N N 125.801 0.400 1 1262 350 137 GLY H H 9.371 0.020 1 1263 350 137 GLY C C 173.026 0.400 1 1264 350 137 GLY CA C 45.132 0.400 1 1265 350 137 GLY N N 111.181 0.400 1 1266 351 138 LYS H H 8.038 0.020 1 1267 351 138 LYS HA H 4.660 0.020 1 1268 351 138 LYS C C 172.078 0.400 1 1269 351 138 LYS CA C 52.728 0.400 1 1270 351 138 LYS CB C 32.069 0.400 1 1271 351 138 LYS CG C 25.375 0.400 1 1272 351 138 LYS N N 119.821 0.400 1 1273 352 139 PRO HA H 4.300 0.020 1 1274 352 139 PRO HB2 H 1.105 0.020 2 1275 352 139 PRO HB3 H 1.609 0.020 2 1276 352 139 PRO HD2 H 3.170 0.020 2 1277 352 139 PRO HD3 H 3.982 0.020 2 1278 352 139 PRO HG2 H 0.535 0.020 2 1279 352 139 PRO HG3 H 1.748 0.020 2 1280 352 139 PRO C C 173.954 0.400 1 1281 352 139 PRO CA C 62.595 0.400 1 1282 352 139 PRO CB C 31.399 0.400 1 1283 352 139 PRO CD C 49.942 0.400 1 1284 352 139 PRO CG C 27.067 0.400 1 1285 353 140 LYS H H 8.188 0.020 1 1286 353 140 LYS HA H 4.610 0.020 1 1287 353 140 LYS C C 173.494 0.400 1 1288 353 140 LYS CA C 55.344 0.400 1 1289 353 140 LYS CB C 32.527 0.400 1 1290 353 140 LYS CG C 24.516 0.400 1 1291 353 140 LYS N N 123.304 0.400 1 1292 354 141 VAL H H 8.344 0.020 1 1293 354 141 VAL HA H 4.533 0.020 1 1294 354 141 VAL HB H 1.686 0.020 1 1295 354 141 VAL HG1 H 0.586 0.020 2 1296 354 141 VAL HG2 H 0.140 0.020 2 1297 354 141 VAL C C 172.277 0.400 1 1298 354 141 VAL CA C 60.596 0.400 1 1299 354 141 VAL CB C 33.580 0.400 1 1300 354 141 VAL CG1 C 20.502 0.400 1 1301 354 141 VAL CG2 C 22.152 0.400 1 1302 354 141 VAL N N 122.550 0.400 1 1303 355 142 PHE H H 8.985 0.020 1 1304 355 142 PHE HA H 5.436 0.020 1 1305 355 142 PHE C C 173.666 0.400 1 1306 355 142 PHE CA C 54.968 0.400 1 1307 355 142 PHE CB C 42.877 0.400 1 1308 355 142 PHE N N 123.850 0.400 1 1309 356 143 PHE H H 8.584 0.020 1 1310 356 143 PHE HA H 5.934 0.020 1 1311 356 143 PHE HD1 H 7.200 0.020 1 1312 356 143 PHE HE1 H 6.954 0.020 1 1313 356 143 PHE C C 174.526 0.400 1 1314 356 143 PHE CA C 55.909 0.400 1 1315 356 143 PHE CB C 39.923 0.400 1 1316 356 143 PHE CD1 C 131.836 0.400 1 1317 356 143 PHE CE1 C 130.382 0.400 1 1318 356 143 PHE N N 119.801 0.400 1 1319 357 144 ILE H H 9.020 0.020 1 1320 357 144 ILE HA H 5.040 0.020 1 1321 357 144 ILE HB H 1.768 0.020 1 1322 357 144 ILE HD1 H 0.770 0.020 1 1323 357 144 ILE HG12 H 1.521 0.020 2 1324 357 144 ILE HG13 H 1.144 0.020 2 1325 357 144 ILE HG2 H 0.762 0.020 1 1326 357 144 ILE C C 173.323 0.400 1 1327 357 144 ILE CA C 59.479 0.400 1 1328 357 144 ILE CB C 40.898 0.400 1 1329 357 144 ILE CD1 C 13.507 0.400 1 1330 357 144 ILE CG1 C 27.230 0.400 1 1331 357 144 ILE CG2 C 17.228 0.400 1 1332 357 144 ILE N N 121.194 0.400 1 1333 358 145 GLN H H 8.856 0.020 1 1334 358 145 GLN HA H 4.670 0.020 1 1335 358 145 GLN C C 171.591 0.400 1 1336 358 145 GLN CA C 53.648 0.400 1 1337 358 145 GLN CB C 30.373 0.400 1 1338 358 145 GLN CG C 34.111 0.400 1 1339 358 145 GLN N N 128.880 0.400 1 1340 359 146 ALA H H 8.418 0.020 1 1341 359 146 ALA HA H 5.247 0.020 1 1342 359 146 ALA HB H 0.995 0.020 1 1343 359 146 ALA C C 175.319 0.400 1 1344 359 146 ALA CA C 50.243 0.400 1 1345 359 146 ALA CB C 18.786 0.400 1 1346 359 146 ALA N N 128.349 0.400 1 1347 360 147 ALA H H 8.161 0.020 1 1348 360 147 ALA HA H 4.343 0.020 1 1349 360 147 ALA HB H 1.337 0.020 1 1350 360 147 ALA C C 177.238 0.400 1 1351 360 147 ALA CA C 52.078 0.400 1 1352 360 147 ALA CB C 20.003 0.400 1 1353 360 147 ALA N N 123.005 0.400 1 1354 361 148 GLN H H 8.461 0.020 1 1355 361 148 GLN HA H 4.663 0.020 1 1356 361 148 GLN HB2 H 2.173 0.020 1 1357 361 148 GLN HB3 H 2.173 0.020 1 1358 361 148 GLN HG2 H 2.488 0.020 1 1359 361 148 GLN HG3 H 2.488 0.020 1 1360 361 148 GLN C C 176.333 0.400 1 1361 361 148 GLN CA C 55.760 0.400 1 1362 361 148 GLN CB C 29.937 0.400 1 1363 361 148 GLN CG C 34.030 0.400 1 1364 361 148 GLN N N 120.296 0.400 1 1365 362 149 GLY H H 8.631 0.020 1 1366 362 149 GLY HA2 H 3.858 0.020 1 1367 362 149 GLY HA3 H 3.858 0.020 1 1368 362 149 GLY C C 172.022 0.400 1 1369 362 149 GLY CA C 44.969 0.400 1 1370 362 149 GLY N N 109.782 0.400 1 1371 363 150 ASP H H 7.566 0.020 1 1372 363 150 ASP HA H 4.661 0.020 1 1373 363 150 ASP HB2 H 2.691 0.020 2 1374 363 150 ASP HB3 H 2.383 0.020 2 1375 363 150 ASP C C 174.446 0.400 1 1376 363 150 ASP CA C 57.776 0.400 1 1377 363 150 ASP CB C 39.423 0.400 1 1378 363 150 ASP N N 118.182 0.400 1 1379 366 153 GLN HA H 4.665 0.020 1 1380 366 153 GLN HB2 H 1.996 0.020 2 1381 366 153 GLN HB3 H 2.222 0.020 2 1382 366 153 GLN HE21 H 7.587 0.020 2 1383 366 153 GLN HE22 H 6.928 0.020 2 1384 366 153 GLN HG2 H 2.525 0.020 1 1385 366 153 GLN HG3 H 2.525 0.020 1 1386 366 153 GLN CA C 53.779 0.400 1 1387 366 153 GLN CB C 28.988 0.400 1 1388 366 153 GLN CG C 33.652 0.400 1 1389 366 153 GLN NE2 N 111.900 0.400 1 1390 368 155 GLY HA2 H 3.899 0.020 1 1391 368 155 GLY HA3 H 3.899 0.020 1 1392 368 155 GLY CA C 45.013 0.400 1 1393 369 156 ILE H H 7.871 0.020 1 1394 369 156 ILE HA H 4.428 0.020 1 1395 369 156 ILE HB H 1.824 0.020 1 1396 369 156 ILE HD1 H 0.810 0.020 1 1397 369 156 ILE HG12 H 1.434 0.020 2 1398 369 156 ILE HG13 H 1.098 0.020 2 1399 369 156 ILE HG2 H 0.900 0.020 1 1400 369 156 ILE C C 174.196 0.400 1 1401 369 156 ILE CA C 58.676 0.400 1 1402 369 156 ILE CB C 38.516 0.400 1 1403 369 156 ILE CD1 C 12.651 0.400 1 1404 369 156 ILE CG1 C 26.768 0.400 1 1405 369 156 ILE CG2 C 17.101 0.400 1 1406 369 156 ILE N N 120.958 0.400 1 1407 370 157 PRO HA H 4.386 0.020 1 1408 370 157 PRO HB2 H 2.218 0.020 2 1409 370 157 PRO HB3 H 1.853 0.020 2 1410 370 157 PRO HD2 H 3.827 0.020 2 1411 370 157 PRO HD3 H 3.630 0.020 2 1412 370 157 PRO HG2 H 1.931 0.020 1 1413 370 157 PRO HG3 H 1.931 0.020 1 1414 370 157 PRO C C 176.218 0.400 1 1415 370 157 PRO CA C 63.431 0.400 1 1416 370 157 PRO CB C 31.913 0.400 1 1417 370 157 PRO CD C 50.923 0.400 1 1418 370 157 PRO CG C 27.246 0.400 1 1419 371 158 VAL H H 8.137 0.020 1 1420 371 158 VAL HA H 4.089 0.020 1 1421 371 158 VAL HB H 2.040 0.020 1 1422 371 158 VAL HG1 H 0.913 0.020 2 1423 371 158 VAL HG2 H 0.919 0.020 2 1424 371 158 VAL C C 175.904 0.400 1 1425 371 158 VAL CA C 62.121 0.400 1 1426 371 158 VAL CB C 32.958 0.400 1 1427 371 158 VAL CG1 C 20.363 0.400 1 1428 371 158 VAL CG2 C 21.233 0.400 1 1429 371 158 VAL N N 119.640 0.400 1 1430 372 159 GLU H H 8.523 0.020 1 1431 372 159 GLU HA H 4.345 0.020 1 1432 372 159 GLU HB2 H 1.906 0.020 2 1433 372 159 GLU HB3 H 2.031 0.020 2 1434 372 159 GLU HG2 H 2.234 0.020 1 1435 372 159 GLU HG3 H 2.234 0.020 1 1436 372 159 GLU C C 176.068 0.400 1 1437 372 159 GLU CA C 56.474 0.400 1 1438 372 159 GLU CB C 30.078 0.400 1 1439 372 159 GLU CG C 36.281 0.400 1 1440 372 159 GLU N N 123.765 0.400 1 1441 373 160 THR H H 8.096 0.020 1 1442 373 160 THR HA H 4.311 0.020 1 1443 373 160 THR HB H 4.201 0.020 1 1444 373 160 THR HG2 H 1.160 0.020 1 1445 373 160 THR C C 173.701 0.400 1 1446 373 160 THR CA C 61.845 0.400 1 1447 373 160 THR CB C 69.760 0.400 1 1448 373 160 THR CG2 C 21.225 0.400 1 1449 373 160 THR N N 114.143 0.400 1 1450 374 161 ASP H H 8.387 0.020 1 1451 374 161 ASP HA H 4.625 0.020 1 1452 374 161 ASP HB2 H 2.700 0.020 2 1453 374 161 ASP HB3 H 2.636 0.020 2 1454 374 161 ASP C C 175.806 0.400 1 1455 374 161 ASP CA C 54.478 0.400 1 1456 374 161 ASP CB C 41.096 0.400 1 1457 374 161 ASP N N 122.070 0.400 1 1458 375 162 SER H H 8.175 0.020 1 1459 375 162 SER HA H 4.385 0.020 1 1460 375 162 SER HB2 H 3.840 0.020 1 1461 375 162 SER HB3 H 3.840 0.020 1 1462 375 162 SER C C 174.169 0.400 1 1463 375 162 SER CA C 58.631 0.400 1 1464 375 162 SER CB C 63.814 0.400 1 1465 375 162 SER N N 115.346 0.400 1 1466 376 163 GLU H H 8.424 0.020 1 1467 376 163 GLU HA H 4.263 0.020 1 1468 376 163 GLU HB2 H 1.907 0.020 2 1469 376 163 GLU HB3 H 2.044 0.020 2 1470 376 163 GLU HG2 H 2.237 0.020 1 1471 376 163 GLU HG3 H 2.237 0.020 1 1472 376 163 GLU C C 175.959 0.400 1 1473 376 163 GLU CA C 56.567 0.400 1 1474 376 163 GLU CB C 30.044 0.400 1 1475 376 163 GLU CG C 36.310 0.400 1 1476 376 163 GLU N N 122.034 0.400 1 1477 377 164 GLU H H 8.298 0.020 1 1478 377 164 GLU HA H 4.224 0.020 1 1479 377 164 GLU HB2 H 1.885 0.020 2 1480 377 164 GLU HB3 H 1.990 0.020 2 1481 377 164 GLU HG2 H 2.216 0.020 2 1482 377 164 GLU HG3 H 1.771 0.020 2 1483 377 164 GLU C C 175.816 0.400 1 1484 377 164 GLU CA C 56.489 0.400 1 1485 377 164 GLU CB C 30.220 0.400 1 1486 377 164 GLU CG C 36.373 0.400 1 1487 377 164 GLU N N 120.980 0.400 1 1488 378 165 GLN H H 8.340 0.020 1 1489 378 165 GLN HA H 4.563 0.020 1 1490 378 165 GLN HG2 H 2.320 0.020 1 1491 378 165 GLN C C 173.510 0.400 1 1492 378 165 GLN CA C 53.530 0.400 1 1493 378 165 GLN CB C 28.816 0.400 1 1494 378 165 GLN CG C 33.391 0.400 1 1495 378 165 GLN N N 121.693 0.400 1 1496 379 166 PRO HA H 4.381 0.020 1 1497 379 166 PRO HB2 H 1.851 0.020 2 1498 379 166 PRO HB3 H 2.214 0.020 2 1499 379 166 PRO HD2 H 3.826 0.020 2 1500 379 166 PRO HD3 H 3.632 0.020 2 1501 379 166 PRO HG2 H 1.929 0.020 2 1502 379 166 PRO HG3 H 2.004 0.020 2 1503 379 166 PRO C C 176.081 0.400 1 1504 379 166 PRO CA C 63.260 0.400 1 1505 379 166 PRO CB C 32.010 0.400 1 1506 379 166 PRO CD C 50.958 0.400 1 1507 379 166 PRO CG C 27.205 0.400 1 1508 380 167 TYR H H 8.116 0.020 1 1509 380 167 TYR HA H 4.513 0.020 1 1510 380 167 TYR HB2 H 2.973 0.020 1 1511 380 167 TYR HB3 H 2.973 0.020 1 1512 380 167 TYR HD1 H 7.080 0.020 1 1513 380 167 TYR HE1 H 6.791 0.020 1 1514 380 167 TYR C C 174.992 0.400 1 1515 380 167 TYR CA C 57.699 0.400 1 1516 380 167 TYR CB C 38.344 0.400 1 1517 380 167 TYR CD1 C 133.175 0.400 1 1518 380 167 TYR CE1 C 118.126 0.400 1 1519 380 167 TYR N N 119.531 0.400 1 1520 381 168 LEU H H 7.953 0.020 1 1521 381 168 LEU HA H 4.267 0.020 1 1522 381 168 LEU HB2 H 1.494 0.020 1 1523 381 168 LEU HB3 H 1.494 0.020 1 1524 381 168 LEU HD1 H 0.800 0.020 2 1525 381 168 LEU HD2 H 0.860 0.020 2 1526 381 168 LEU HG H 1.449 0.020 1 1527 381 168 LEU C C 176.162 0.400 1 1528 381 168 LEU CA C 54.808 0.400 1 1529 381 168 LEU CB C 42.735 0.400 1 1530 381 168 LEU CD1 C 23.589 0.400 1 1531 381 168 LEU CD2 C 24.791 0.400 1 1532 381 168 LEU CG C 26.699 0.400 1 1533 381 168 LEU N N 124.133 0.400 1 1534 382 169 GLU H H 8.190 0.020 1 1535 382 169 GLU HA H 4.167 0.020 1 1536 382 169 GLU HB2 H 2.006 0.020 2 1537 382 169 GLU HB3 H 1.900 0.020 2 1538 382 169 GLU HG2 H 2.212 0.020 2 1539 382 169 GLU HG3 H 1.769 0.020 2 1540 382 169 GLU C C 175.881 0.400 1 1541 382 169 GLU CA C 56.655 0.400 1 1542 382 169 GLU CB C 30.058 0.400 1 1543 382 169 GLU CG C 36.286 0.400 1 1544 382 169 GLU N N 121.131 0.400 1 1545 383 170 MET H H 8.214 0.020 1 1546 383 170 MET HA H 4.377 0.020 1 1547 383 170 MET HB2 H 2.010 0.020 2 1548 383 170 MET HB3 H 1.951 0.020 2 1549 383 170 MET HG2 H 2.520 0.020 2 1550 383 170 MET HG3 H 2.451 0.020 2 1551 383 170 MET C C 175.132 0.400 1 1552 383 170 MET CA C 55.606 0.400 1 1553 383 170 MET CB C 33.091 0.400 1 1554 383 170 MET CG C 31.827 0.400 1 1555 383 170 MET N N 120.601 0.400 1 1556 384 171 ASP H H 8.358 0.020 1 1557 384 171 ASP HA H 4.575 0.020 1 1558 384 171 ASP HB2 H 2.581 0.020 2 1559 384 171 ASP HB3 H 2.719 0.020 2 1560 384 171 ASP C C 175.966 0.400 1 1561 384 171 ASP CA C 53.741 0.400 1 1562 384 171 ASP CB C 40.571 0.400 1 1563 384 171 ASP N N 121.104 0.400 1 1564 385 172 LEU H H 8.285 0.020 1 1565 385 172 LEU HA H 4.305 0.020 1 1566 385 172 LEU HB2 H 1.611 0.020 1 1567 385 172 LEU HB3 H 1.611 0.020 1 1568 385 172 LEU HD1 H 0.878 0.020 2 1569 385 172 LEU HD2 H 0.810 0.020 2 1570 385 172 LEU HG H 1.611 0.020 1 1571 385 172 LEU C C 177.140 0.400 1 1572 385 172 LEU CA C 55.122 0.400 1 1573 385 172 LEU CB C 41.851 0.400 1 1574 385 172 LEU CD1 C 24.891 0.400 1 1575 385 172 LEU CD2 C 23.039 0.400 1 1576 385 172 LEU CG C 26.752 0.400 1 1577 385 172 LEU N N 123.115 0.400 1 1578 386 173 SER H H 8.290 0.020 1 1579 386 173 SER N N 115.101 0.400 1 1580 389 176 GLN HA H 4.383 0.020 1 1581 389 176 GLN HB2 H 2.128 0.020 2 1582 389 176 GLN HB3 H 1.996 0.020 2 1583 389 176 GLN HE21 H 6.695 0.020 2 1584 389 176 GLN HE22 H 7.546 0.020 2 1585 389 176 GLN HG2 H 2.273 0.020 2 1586 389 176 GLN HG3 H 2.342 0.020 2 1587 389 176 GLN CA C 55.991 0.400 1 1588 389 176 GLN CB C 29.280 0.400 1 1589 389 176 GLN CG C 33.787 0.400 1 1590 389 176 GLN NE2 N 111.197 0.400 1 1591 390 177 THR H H 6.958 0.020 1 1592 390 177 THR HA H 3.970 0.020 1 1593 390 177 THR HB H 3.839 0.020 1 1594 390 177 THR HG2 H 0.870 0.020 1 1595 390 177 THR C C 172.764 0.400 1 1596 390 177 THR CA C 62.221 0.400 1 1597 390 177 THR CB C 69.382 0.400 1 1598 390 177 THR CG2 C 21.389 0.400 1 1599 390 177 THR N N 115.463 0.400 1 1600 391 178 ARG H H 7.873 0.020 1 1601 391 178 ARG C C 174.982 0.400 1 1602 391 178 ARG CA C 55.266 0.400 1 1603 391 178 ARG CB C 31.052 0.400 1 1604 391 178 ARG CG C 26.893 0.400 1 1605 391 178 ARG N N 122.116 0.400 1 1606 392 179 TYR H H 8.812 0.020 1 1607 392 179 TYR HA H 4.621 0.020 1 1608 392 179 TYR HB2 H 3.078 0.020 1 1609 392 179 TYR HB3 H 3.078 0.020 1 1610 392 179 TYR HD1 H 6.956 0.020 1 1611 392 179 TYR HE1 H 6.698 0.020 1 1612 392 179 TYR C C 174.337 0.400 1 1613 392 179 TYR CA C 57.444 0.400 1 1614 392 179 TYR CB C 40.623 0.400 1 1615 392 179 TYR CD1 C 132.157 0.400 1 1616 392 179 TYR CE1 C 117.925 0.400 1 1617 392 179 TYR N N 118.296 0.400 1 1618 393 180 ILE H H 7.254 0.020 1 1619 393 180 ILE HA H 4.610 0.020 1 1620 393 180 ILE HB H 1.301 0.020 1 1621 393 180 ILE HD1 H 0.774 0.020 1 1622 393 180 ILE HG12 H 0.784 0.020 2 1623 393 180 ILE HG13 H 1.307 0.020 2 1624 393 180 ILE HG2 H 0.761 0.020 1 1625 393 180 ILE C C 171.654 0.400 1 1626 393 180 ILE CA C 56.916 0.400 1 1627 393 180 ILE CB C 39.736 0.400 1 1628 393 180 ILE CD1 C 14.615 0.400 1 1629 393 180 ILE CG1 C 24.374 0.400 1 1630 393 180 ILE CG2 C 19.525 0.400 1 1631 393 180 ILE N N 108.609 0.400 1 1632 394 181 PRO HA H 4.709 0.020 1 1633 394 181 PRO HB2 H 1.221 0.020 1 1634 394 181 PRO HB3 H 1.221 0.020 1 1635 394 181 PRO HD2 H 2.936 0.020 1 1636 394 181 PRO HD3 H 2.936 0.020 1 1637 394 181 PRO HG2 H 0.960 0.020 1 1638 394 181 PRO HG3 H 0.960 0.020 1 1639 394 181 PRO C C 173.910 0.400 1 1640 394 181 PRO CA C 62.144 0.400 1 1641 394 181 PRO CB C 32.527 0.400 1 1642 394 181 PRO CD C 49.066 0.400 1 1643 394 181 PRO CG C 28.198 0.400 1 1644 395 182 ASP H H 8.296 0.020 1 1645 395 182 ASP HA H 4.665 0.020 1 1646 395 182 ASP HB2 H 2.702 0.020 2 1647 395 182 ASP HB3 H 2.381 0.020 2 1648 395 182 ASP C C 175.120 0.400 1 1649 395 182 ASP CA C 52.455 0.400 1 1650 395 182 ASP CB C 38.742 0.400 1 1651 395 182 ASP N N 120.042 0.400 1 1652 396 183 GLU H H 7.651 0.020 1 1653 396 183 GLU HA H 4.492 0.020 1 1654 396 183 GLU HB2 H 2.085 0.020 1 1655 396 183 GLU HB3 H 2.085 0.020 1 1656 396 183 GLU HG2 H 2.085 0.020 2 1657 396 183 GLU HG3 H 2.405 0.020 2 1658 396 183 GLU C C 173.702 0.400 1 1659 396 183 GLU CA C 54.897 0.400 1 1660 396 183 GLU CB C 32.509 0.400 1 1661 396 183 GLU CG C 36.399 0.400 1 1662 396 183 GLU N N 117.840 0.400 1 1663 397 184 ALA H H 8.365 0.020 1 1664 397 184 ALA HA H 4.394 0.020 1 1665 397 184 ALA HB H 1.522 0.020 1 1666 397 184 ALA C C 175.829 0.400 1 1667 397 184 ALA CA C 52.770 0.400 1 1668 397 184 ALA CB C 20.682 0.400 1 1669 397 184 ALA N N 121.613 0.400 1 1670 398 185 ASP H H 7.245 0.020 1 1671 398 185 ASP HA H 4.092 0.020 1 1672 398 185 ASP HB2 H 2.580 0.020 2 1673 398 185 ASP HB3 H 2.999 0.020 2 1674 398 185 ASP C C 172.730 0.400 1 1675 398 185 ASP CA C 56.144 0.400 1 1676 398 185 ASP CB C 39.841 0.400 1 1677 398 185 ASP N N 105.829 0.400 1 1678 399 186 PHE H H 8.467 0.020 1 1679 399 186 PHE HA H 5.486 0.020 1 1680 399 186 PHE HB2 H 3.325 0.020 1 1681 399 186 PHE HB3 H 3.325 0.020 1 1682 399 186 PHE C C 176.218 0.400 1 1683 399 186 PHE CA C 57.959 0.400 1 1684 399 186 PHE CB C 44.529 0.400 1 1685 399 186 PHE N N 116.177 0.400 1 1686 400 187 LEU H H 8.964 0.020 1 1687 400 187 LEU HA H 4.963 0.020 1 1688 400 187 LEU HB2 H 1.671 0.020 1 1689 400 187 LEU HB3 H 1.671 0.020 1 1690 400 187 LEU HD1 H 0.953 0.020 2 1691 400 187 LEU HD2 H 0.747 0.020 2 1692 400 187 LEU HG H 1.467 0.020 1 1693 400 187 LEU C C 171.747 0.400 1 1694 400 187 LEU CA C 55.422 0.400 1 1695 400 187 LEU CB C 45.641 0.400 1 1696 400 187 LEU CD1 C 25.014 0.400 1 1697 400 187 LEU CD2 C 26.175 0.400 1 1698 400 187 LEU CG C 27.761 0.400 1 1699 400 187 LEU N N 121.383 0.400 1 1700 401 188 LEU H H 9.312 0.020 1 1701 401 188 LEU HA H 5.580 0.020 1 1702 401 188 LEU HB2 H 1.914 0.020 1 1703 401 188 LEU HB3 H 1.914 0.020 1 1704 401 188 LEU HD1 H 0.600 0.020 2 1705 401 188 LEU HD2 H 0.450 0.020 2 1706 401 188 LEU HG H 0.831 0.020 1 1707 401 188 LEU C C 173.853 0.400 1 1708 401 188 LEU CA C 53.421 0.400 1 1709 401 188 LEU CB C 45.403 0.400 1 1710 401 188 LEU CD1 C 24.859 0.400 1 1711 401 188 LEU CD2 C 24.898 0.400 1 1712 401 188 LEU CG C 27.558 0.400 1 1713 401 188 LEU N N 128.151 0.400 1 1714 402 189 GLY H H 9.415 0.020 1 1715 402 189 GLY HA2 H 4.670 0.020 2 1716 402 189 GLY HA3 H 3.663 0.020 2 1717 402 189 GLY C C 171.014 0.400 1 1718 402 189 GLY CA C 44.967 0.400 1 1719 402 189 GLY N N 115.881 0.400 1 1720 403 190 MET H H 8.118 0.020 1 1721 403 190 MET HA H 5.314 0.020 1 1722 403 190 MET HB2 H 1.696 0.020 1 1723 403 190 MET HB3 H 1.696 0.020 1 1724 403 190 MET HE H 1.719 0.020 1 1725 403 190 MET HG2 H 2.236 0.020 1 1726 403 190 MET HG3 H 2.236 0.020 1 1727 403 190 MET C C 173.744 0.400 1 1728 403 190 MET CA C 53.284 0.400 1 1729 403 190 MET CB C 36.614 0.400 1 1730 403 190 MET CE C 16.712 0.400 1 1731 403 190 MET CG C 31.088 0.400 1 1732 403 190 MET N N 122.165 0.400 1 1733 404 191 ALA H H 8.024 0.020 1 1734 404 191 ALA HA H 3.897 0.020 1 1735 404 191 ALA HB H 1.113 0.020 1 1736 404 191 ALA C C 176.708 0.400 1 1737 404 191 ALA CA C 51.407 0.400 1 1738 404 191 ALA CB C 20.384 0.400 1 1739 404 191 ALA N N 126.194 0.400 1 1740 415 202 PRO HA H 4.355 0.020 1 1741 415 202 PRO HB2 H 2.160 0.020 2 1742 415 202 PRO HB3 H 1.727 0.020 2 1743 415 202 PRO HD2 H 3.596 0.020 2 1744 415 202 PRO HD3 H 3.743 0.020 2 1745 415 202 PRO HG2 H 1.916 0.020 2 1746 415 202 PRO HG3 H 2.010 0.020 2 1747 415 202 PRO C C 176.037 0.400 1 1748 415 202 PRO CA C 63.590 0.400 1 1749 415 202 PRO CB C 31.887 0.400 1 1750 415 202 PRO CD C 50.587 0.400 1 1751 415 202 PRO CG C 26.946 0.400 1 1752 416 203 ALA H H 8.076 0.020 1 1753 416 203 ALA HA H 4.228 0.020 1 1754 416 203 ALA HB H 1.360 0.020 1 1755 416 203 ALA C C 176.895 0.400 1 1756 416 203 ALA CA C 52.743 0.400 1 1757 416 203 ALA CB C 18.723 0.400 1 1758 416 203 ALA N N 119.053 0.400 1 1759 417 204 GLU H H 7.784 0.020 1 1760 417 204 GLU HA H 4.350 0.020 1 1761 417 204 GLU HB2 H 1.890 0.020 1 1762 417 204 GLU HB3 H 1.890 0.020 1 1763 417 204 GLU HG2 H 2.123 0.020 1 1764 417 204 GLU HG3 H 2.123 0.020 1 1765 417 204 GLU C C 175.678 0.400 1 1766 417 204 GLU CA C 55.650 0.400 1 1767 417 204 GLU CB C 30.312 0.400 1 1768 417 204 GLU CG C 36.305 0.400 1 1769 417 204 GLU N N 116.458 0.400 1 1770 418 205 GLY H H 7.910 0.020 1 1771 418 205 GLY CA C 43.804 0.400 1 1772 418 205 GLY N N 108.024 0.400 1 1773 419 206 THR H H 8.364 0.020 1 1774 419 206 THR HA H 4.316 0.020 1 1775 419 206 THR HB H 4.316 0.020 1 1776 419 206 THR HG2 H 1.320 0.020 1 1777 419 206 THR CA C 64.682 0.400 1 1778 419 206 THR CB C 69.304 0.400 1 1779 419 206 THR CG2 C 19.707 0.400 1 1780 419 206 THR N N 115.417 0.400 1 1781 420 207 TRP HA H 4.116 0.020 1 1782 420 207 TRP HB2 H 3.287 0.020 1 1783 420 207 TRP HB3 H 3.287 0.020 1 1784 420 207 TRP HD1 H 7.260 0.020 1 1785 420 207 TRP HE1 H 10.171 0.020 1 1786 420 207 TRP HE3 H 7.502 0.020 1 1787 420 207 TRP HH2 H 7.100 0.020 1 1788 420 207 TRP HZ2 H 7.426 0.020 1 1789 420 207 TRP HZ3 H 7.170 0.020 1 1790 420 207 TRP CA C 61.178 0.400 1 1791 420 207 TRP CB C 28.670 0.400 1 1792 420 207 TRP CD1 C 126.704 0.400 1 1793 420 207 TRP CE3 C 120.323 0.400 1 1794 420 207 TRP CH2 C 121.773 0.400 1 1795 420 207 TRP CZ2 C 114.730 0.400 1 1796 420 207 TRP CZ3 C 124.508 0.400 1 1797 420 207 TRP NE1 N 129.461 0.400 1 1798 422 209 ILE H H 6.744 0.020 1 1799 422 209 ILE HA H 3.349 0.020 1 1800 422 209 ILE HB H 2.034 0.020 1 1801 422 209 ILE HD1 H 0.508 0.020 1 1802 422 209 ILE HG2 H 0.627 0.020 1 1803 422 209 ILE C C 178.143 0.400 1 1804 422 209 ILE CA C 60.865 0.400 1 1805 422 209 ILE CB C 34.371 0.400 1 1806 422 209 ILE CD1 C 29.951 0.400 1 1807 422 209 ILE CG1 C 26.812 0.400 1 1808 422 209 ILE CG2 C 18.362 0.400 1 1809 422 209 ILE N N 113.211 0.400 1 1810 423 210 GLN H H 8.252 0.020 1 1811 423 210 GLN HA H 3.548 0.020 1 1812 423 210 GLN HB2 H 1.825 0.020 1 1813 423 210 GLN HB3 H 1.825 0.020 1 1814 423 210 GLN HG2 H 2.324 0.020 1 1815 423 210 GLN HG3 H 2.324 0.020 1 1816 423 210 GLN C C 179.079 0.400 1 1817 423 210 GLN CA C 58.795 0.400 1 1818 423 210 GLN CB C 26.704 0.400 1 1819 423 210 GLN CG C 33.297 0.400 1 1820 423 210 GLN N N 116.455 0.400 1 1821 424 211 SER H H 8.162 0.020 1 1822 424 211 SER HA H 3.961 0.020 1 1823 424 211 SER HB2 H 3.356 0.020 1 1824 424 211 SER HB3 H 3.356 0.020 1 1825 424 211 SER C C 179.150 0.400 1 1826 424 211 SER CA C 61.850 0.400 1 1827 424 211 SER CB C 62.214 0.400 1 1828 424 211 SER N N 115.041 0.400 1 1829 425 212 LEU H H 8.061 0.020 1 1830 425 212 LEU HA H 3.540 0.020 1 1831 425 212 LEU HB2 H 1.500 0.020 1 1832 425 212 LEU HB3 H 1.500 0.020 1 1833 425 212 LEU HD1 H 0.301 0.020 2 1834 425 212 LEU HD2 H -0.185 0.020 2 1835 425 212 LEU HG H 0.363 0.020 1 1836 425 212 LEU C C 177.566 0.400 1 1837 425 212 LEU CA C 58.548 0.400 1 1838 425 212 LEU CB C 41.665 0.400 1 1839 425 212 LEU CD1 C 23.230 0.400 1 1840 425 212 LEU CD2 C 24.366 0.400 1 1841 425 212 LEU CG C 26.390 0.400 1 1842 425 212 LEU N N 124.082 0.400 1 1843 426 213 CYS H H 7.940 0.020 1 1844 426 213 CYS HA H 3.628 0.020 1 1845 426 213 CYS HB2 H 2.610 0.020 2 1846 426 213 CYS HB3 H 2.677 0.020 2 1847 426 213 CYS C C 175.741 0.400 1 1848 426 213 CYS CA C 65.159 0.400 1 1849 426 213 CYS CB C 49.251 0.400 1 1850 426 213 CYS N N 114.351 0.400 1 1851 427 214 GLN H H 7.510 0.020 1 1852 427 214 GLN HA H 3.772 0.020 1 1853 427 214 GLN HB2 H 2.005 0.020 1 1854 427 214 GLN HB3 H 2.005 0.020 1 1855 427 214 GLN HG2 H 2.314 0.020 1 1856 427 214 GLN HG3 H 2.314 0.020 1 1857 427 214 GLN C C 177.769 0.400 1 1858 427 214 GLN CA C 59.019 0.400 1 1859 427 214 GLN CB C 27.718 0.400 1 1860 427 214 GLN CG C 33.197 0.400 1 1861 427 214 GLN N N 117.399 0.400 1 1862 428 215 SER H H 7.906 0.020 1 1863 428 215 SER HA H 4.173 0.020 1 1864 428 215 SER HB2 H 3.596 0.020 2 1865 428 215 SER HB3 H 3.800 0.020 2 1866 428 215 SER CA C 62.653 0.400 1 1867 428 215 SER CB C 62.889 0.400 1 1868 428 215 SER N N 113.799 0.400 1 1869 429 216 LEU H H 8.505 0.020 1 1870 429 216 LEU HA H 4.156 0.020 1 1871 429 216 LEU HB2 H 1.600 0.020 1 1872 429 216 LEU HB3 H 1.600 0.020 1 1873 429 216 LEU HD1 H 0.690 0.020 1 1874 429 216 LEU HG H 0.358 0.020 1 1875 429 216 LEU C C 178.848 0.400 1 1876 429 216 LEU CA C 58.053 0.400 1 1877 429 216 LEU CB C 41.222 0.400 1 1878 429 216 LEU CD1 C 23.506 0.400 1 1879 429 216 LEU CG C 26.582 0.400 1 1880 429 216 LEU N N 121.357 0.400 1 1881 430 217 ARG H H 7.972 0.020 1 1882 430 217 ARG HA H 3.850 0.020 1 1883 430 217 ARG HB2 H 1.725 0.020 1 1884 430 217 ARG HB3 H 1.725 0.020 1 1885 430 217 ARG HD2 H 3.086 0.020 2 1886 430 217 ARG HD3 H 2.928 0.020 2 1887 430 217 ARG HG2 H 1.486 0.020 2 1888 430 217 ARG HG3 H 1.923 0.020 2 1889 430 217 ARG C C 178.237 0.400 1 1890 430 217 ARG CA C 59.472 0.400 1 1891 430 217 ARG CB C 30.256 0.400 1 1892 430 217 ARG CD C 43.440 0.400 1 1893 430 217 ARG CG C 27.823 0.400 1 1894 430 217 ARG N N 116.018 0.400 1 1895 431 218 GLU H H 7.583 0.020 1 1896 431 218 GLU HA H 4.119 0.020 1 1897 431 218 GLU HB2 H 2.128 0.020 1 1898 431 218 GLU HB3 H 2.128 0.020 1 1899 431 218 GLU HG3 H 2.369 0.020 1 1900 431 218 GLU C C 178.377 0.400 1 1901 431 218 GLU CA C 58.207 0.400 1 1902 431 218 GLU CB C 30.548 0.400 1 1903 431 218 GLU CG C 36.188 0.400 1 1904 431 218 GLU N N 113.645 0.400 1 1905 432 219 ARG H H 8.621 0.020 1 1906 432 219 ARG HA H 4.180 0.020 1 1907 432 219 ARG C C 178.455 0.400 1 1908 432 219 ARG CA C 58.428 0.400 1 1909 432 219 ARG CB C 30.936 0.400 1 1910 432 219 ARG CG C 27.806 0.400 1 1911 432 219 ARG N N 114.272 0.400 1 1912 433 220 CYS H H 8.828 0.020 1 1913 433 220 CYS HA H 4.464 0.020 1 1914 433 220 CYS HB2 H 3.010 0.020 2 1915 433 220 CYS HB3 H 3.582 0.020 2 1916 433 220 CYS C C 176.708 0.400 1 1917 433 220 CYS CA C 66.312 0.400 1 1918 433 220 CYS CB C 47.095 0.400 1 1919 433 220 CYS N N 120.012 0.400 1 1920 434 221 PRO HA H 4.463 0.020 1 1921 434 221 PRO HB2 H 2.402 0.020 1 1922 434 221 PRO HB3 H 2.402 0.020 1 1923 434 221 PRO HD2 H 3.323 0.020 2 1924 434 221 PRO HD3 H 3.588 0.020 2 1925 434 221 PRO HG2 H 1.899 0.020 2 1926 434 221 PRO HG3 H 2.053 0.020 2 1927 434 221 PRO C C 177.064 0.400 1 1928 434 221 PRO CA C 65.717 0.400 1 1929 434 221 PRO CB C 31.169 0.400 1 1930 434 221 PRO CD C 51.995 0.400 1 1931 434 221 PRO CG C 28.137 0.400 1 1932 435 222 ARG H H 6.904 0.020 1 1933 435 222 ARG HA H 4.331 0.020 1 1934 435 222 ARG HB2 H 2.039 0.020 2 1935 435 222 ARG HB3 H 1.910 0.020 2 1936 435 222 ARG HD2 H 3.233 0.020 2 1937 435 222 ARG HD3 H 3.166 0.020 2 1938 435 222 ARG HG2 H 1.740 0.020 1 1939 435 222 ARG HG3 H 1.740 0.020 1 1940 435 222 ARG C C 176.536 0.400 1 1941 435 222 ARG CA C 55.901 0.400 1 1942 435 222 ARG CB C 30.116 0.400 1 1943 435 222 ARG CD C 43.871 0.400 1 1944 435 222 ARG CG C 26.975 0.400 1 1945 435 222 ARG N N 112.486 0.400 1 1946 436 223 GLY H H 8.160 0.020 1 1947 436 223 GLY HA2 H 4.237 0.020 2 1948 436 223 GLY HA3 H 3.643 0.020 2 1949 436 223 GLY C C 173.338 0.400 1 1950 436 223 GLY CA C 43.988 0.400 1 1951 436 223 GLY N N 105.931 0.400 1 1952 437 224 ASP H H 6.891 0.020 1 1953 437 224 ASP HA H 4.500 0.020 1 1954 437 224 ASP HB3 H 2.321 0.020 1 1955 437 224 ASP C C 173.806 0.400 1 1956 437 224 ASP CA C 54.576 0.400 1 1957 437 224 ASP CB C 40.588 0.400 1 1958 437 224 ASP N N 119.342 0.400 1 1959 438 225 ASP H H 8.054 0.020 1 1960 438 225 ASP HA H 4.912 0.020 1 1961 438 225 ASP HB2 H 2.835 0.020 2 1962 438 225 ASP HB3 H 2.369 0.020 2 1963 438 225 ASP C C 175.631 0.400 1 1964 438 225 ASP CA C 52.579 0.400 1 1965 438 225 ASP CB C 42.616 0.400 1 1966 438 225 ASP N N 117.877 0.400 1 1967 439 226 ILE H H 9.101 0.020 1 1968 439 226 ILE HA H 3.621 0.020 1 1969 439 226 ILE HB H 1.669 0.020 1 1970 439 226 ILE HD1 H 0.640 0.020 1 1971 439 226 ILE HG12 H 1.290 0.020 2 1972 439 226 ILE HG13 H 0.785 0.020 2 1973 439 226 ILE HG2 H 0.829 0.020 1 1974 439 226 ILE C C 176.146 0.400 1 1975 439 226 ILE CA C 62.602 0.400 1 1976 439 226 ILE CB C 36.530 0.400 1 1977 439 226 ILE CD1 C 11.934 0.400 1 1978 439 226 ILE CG1 C 28.418 0.400 1 1979 439 226 ILE CG2 C 18.612 0.400 1 1980 439 226 ILE N N 118.352 0.400 1 1981 440 227 LEU H H 7.814 0.020 1 1982 440 227 LEU HA H 3.918 0.020 1 1983 440 227 LEU HB2 H 1.541 0.020 2 1984 440 227 LEU HB3 H 1.362 0.020 2 1985 440 227 LEU HD1 H 0.260 0.020 2 1986 440 227 LEU HD2 H 0.196 0.020 2 1987 440 227 LEU HG H 1.284 0.020 1 1988 440 227 LEU C C 179.397 0.400 1 1989 440 227 LEU CA C 58.566 0.400 1 1990 440 227 LEU CB C 40.819 0.400 1 1991 440 227 LEU CD1 C 23.739 0.400 1 1992 440 227 LEU CD2 C 23.835 0.400 1 1993 440 227 LEU CG C 26.486 0.400 1 1994 440 227 LEU N N 119.906 0.400 1 1995 441 228 THR H H 7.665 0.020 1 1996 441 228 THR HA H 4.289 0.020 1 1997 441 228 THR HB H 4.961 0.020 1 1998 441 228 THR HG2 H 1.255 0.020 1 1999 441 228 THR C C 179.489 0.400 1 2000 441 228 THR CA C 61.837 0.400 1 2001 441 228 THR CB C 69.979 0.400 1 2002 441 228 THR CG2 C 22.776 0.400 1 2003 441 228 THR N N 120.011 0.400 1 2004 442 229 ILE H H 7.807 0.020 1 2005 442 229 ILE HA H 3.300 0.020 1 2006 442 229 ILE HB H 1.733 0.020 1 2007 442 229 ILE HD1 H 0.632 0.020 1 2008 442 229 ILE HG12 H 0.463 0.020 1 2009 442 229 ILE HG13 H 0.463 0.020 1 2010 442 229 ILE HG2 H 0.661 0.020 1 2011 442 229 ILE C C 177.728 0.400 1 2012 442 229 ILE CA C 66.069 0.400 1 2013 442 229 ILE CB C 38.260 0.400 1 2014 442 229 ILE CD1 C 15.695 0.400 1 2015 442 229 ILE CG1 C 28.475 0.400 1 2016 442 229 ILE CG2 C 16.603 0.400 1 2017 442 229 ILE N N 119.411 0.400 1 2018 443 230 LEU H H 8.530 0.020 1 2019 443 230 LEU HA H 3.958 0.020 1 2020 443 230 LEU HB2 H 1.831 0.020 2 2021 443 230 LEU HB3 H 1.672 0.020 2 2022 443 230 LEU HD1 H 0.968 0.020 2 2023 443 230 LEU HD2 H 0.904 0.020 2 2024 443 230 LEU HG H 1.984 0.020 1 2025 443 230 LEU C C 178.689 0.400 1 2026 443 230 LEU CA C 57.697 0.400 1 2027 443 230 LEU CB C 42.191 0.400 1 2028 443 230 LEU CD1 C 25.957 0.400 1 2029 443 230 LEU CD2 C 23.493 0.400 1 2030 443 230 LEU CG C 26.901 0.400 1 2031 443 230 LEU N N 116.186 0.400 1 2032 444 231 THR H H 8.008 0.020 1 2033 444 231 THR HA H 4.153 0.020 1 2034 444 231 THR HB H 4.389 0.020 1 2035 444 231 THR HG2 H 1.274 0.020 1 2036 444 231 THR C C 175.208 0.400 1 2037 444 231 THR CA C 65.327 0.400 1 2038 444 231 THR CB C 69.718 0.400 1 2039 444 231 THR CG2 C 21.116 0.400 1 2040 444 231 THR N N 112.075 0.400 1 2041 445 232 GLU H H 7.717 0.020 1 2042 445 232 GLU HA H 4.186 0.020 1 2043 445 232 GLU C C 177.156 0.400 1 2044 445 232 GLU CA C 57.891 0.400 1 2045 445 232 GLU CB C 28.836 0.400 1 2046 445 232 GLU CG C 36.730 0.400 1 2047 445 232 GLU N N 120.074 0.400 1 2048 446 233 VAL H H 7.839 0.020 1 2049 446 233 VAL HA H 3.849 0.020 1 2050 446 233 VAL HB H 2.055 0.020 1 2051 446 233 VAL HG1 H 0.910 0.020 2 2052 446 233 VAL HG2 H 0.742 0.020 2 2053 446 233 VAL C C 175.709 0.400 1 2054 446 233 VAL CA C 64.520 0.400 1 2055 446 233 VAL CB C 31.894 0.400 1 2056 446 233 VAL CG1 C 22.002 0.400 1 2057 446 233 VAL CG2 C 21.138 0.400 1 2058 446 233 VAL N N 121.342 0.400 1 2059 447 234 ASN HD21 H 7.477 0.020 2 2060 447 234 ASN HD22 H 6.829 0.020 2 2061 447 234 ASN ND2 N 111.888 0.400 1 2062 464 251 PRO HA H 4.525 0.020 1 2063 464 251 PRO HB2 H 1.951 0.020 2 2064 464 251 PRO HB3 H 2.308 0.020 2 2065 464 251 PRO HD2 H 3.833 0.020 1 2066 464 251 PRO HD3 H 3.833 0.020 1 2067 464 251 PRO HG2 H 1.941 0.020 1 2068 464 251 PRO HG3 H 1.941 0.020 1 2069 464 251 PRO C C 176.149 0.400 1 2070 464 251 PRO CA C 63.027 0.400 1 2071 464 251 PRO CB C 31.966 0.400 1 2072 464 251 PRO CD C 50.774 0.400 1 2073 464 251 PRO CG C 27.547 0.400 1 2074 465 252 GLN H H 8.586 0.020 1 2075 465 252 GLN HA H 4.689 0.020 1 2076 465 252 GLN C C 174.446 0.400 1 2077 465 252 GLN CA C 53.682 0.400 1 2078 465 252 GLN CB C 28.537 0.400 1 2079 465 252 GLN CG C 33.844 0.400 1 2080 465 252 GLN N N 121.782 0.400 1 2081 466 253 PRO HA H 4.902 0.020 1 2082 466 253 PRO C C 174.937 0.400 1 2083 466 253 PRO CA C 63.075 0.400 1 2084 466 253 PRO CB C 32.384 0.400 1 2085 466 253 PRO CD C 50.260 0.400 1 2086 466 253 PRO CG C 27.322 0.400 1 2087 467 254 THR H H 8.556 0.020 1 2088 467 254 THR HA H 4.659 0.020 1 2089 467 254 THR HB H 4.120 0.020 1 2090 467 254 THR HG2 H 1.271 0.020 1 2091 467 254 THR C C 172.995 0.400 1 2092 467 254 THR CA C 61.740 0.400 1 2093 467 254 THR CB C 70.195 0.400 1 2094 467 254 THR CG2 C 21.329 0.400 1 2095 467 254 THR N N 115.754 0.400 1 2096 468 255 PHE H H 8.560 0.020 1 2097 468 255 PHE HA H 5.502 0.020 1 2098 468 255 PHE HB2 H 3.080 0.020 2 2099 468 255 PHE HB3 H 3.376 0.020 2 2100 468 255 PHE C C 173.198 0.400 1 2101 468 255 PHE CA C 56.283 0.400 1 2102 468 255 PHE CB C 43.426 0.400 1 2103 468 255 PHE N N 120.481 0.400 1 2104 469 256 THR H H 9.702 0.020 1 2105 469 256 THR HA H 4.662 0.020 1 2106 469 256 THR HB H 4.734 0.020 1 2107 469 256 THR HG2 H 1.121 0.020 1 2108 469 256 THR C C 176.561 0.400 1 2109 469 256 THR CA C 59.948 0.400 1 2110 469 256 THR CB C 69.145 0.400 1 2111 469 256 THR CG2 C 22.278 0.400 1 2112 469 256 THR N N 108.601 0.400 1 2113 470 257 LEU H H 7.235 0.020 1 2114 470 257 LEU HA H 4.401 0.020 1 2115 470 257 LEU HB2 H 1.550 0.020 2 2116 470 257 LEU HB3 H 0.830 0.020 2 2117 470 257 LEU HD1 H 0.875 0.020 2 2118 470 257 LEU HD2 H 0.810 0.020 2 2119 470 257 LEU HG H 1.113 0.020 1 2120 470 257 LEU C C 175.975 0.400 1 2121 470 257 LEU CA C 55.492 0.400 1 2122 470 257 LEU CB C 41.850 0.400 1 2123 470 257 LEU CD1 C 24.947 0.400 1 2124 470 257 LEU CD2 C 23.101 0.400 1 2125 470 257 LEU CG C 26.997 0.400 1 2126 470 257 LEU N N 120.802 0.400 1 2127 471 258 ARG H H 8.228 0.020 1 2128 471 258 ARG HA H 4.631 0.020 1 2129 471 258 ARG HB2 H 2.013 0.020 2 2130 471 258 ARG HB3 H 1.835 0.020 2 2131 471 258 ARG HD2 H 3.254 0.020 1 2132 471 258 ARG HD3 H 3.254 0.020 1 2133 471 258 ARG HG2 H 1.750 0.020 2 2134 471 258 ARG HG3 H 1.865 0.020 2 2135 471 258 ARG C C 174.114 0.400 1 2136 471 258 ARG CA C 55.071 0.400 1 2137 471 258 ARG CB C 32.470 0.400 1 2138 471 258 ARG CD C 43.046 0.400 1 2139 471 258 ARG CG C 27.003 0.400 1 2140 471 258 ARG N N 118.883 0.400 1 2141 472 259 LYS H H 7.217 0.020 1 2142 472 259 LYS HA H 4.260 0.020 1 2143 472 259 LYS HB2 H -0.117 0.020 2 2144 472 259 LYS HB3 H 1.021 0.020 2 2145 472 259 LYS HD2 H 0.989 0.020 1 2146 472 259 LYS HD3 H 0.989 0.020 1 2147 472 259 LYS HE2 H 2.580 0.020 1 2148 472 259 LYS HE3 H 2.580 0.020 1 2149 472 259 LYS HG2 H 0.492 0.020 1 2150 472 259 LYS HG3 H 0.492 0.020 1 2151 472 259 LYS C C 174.571 0.400 1 2152 472 259 LYS CA C 53.269 0.400 1 2153 472 259 LYS CB C 36.332 0.400 1 2154 472 259 LYS CD C 29.585 0.400 1 2155 472 259 LYS CE C 41.908 0.400 1 2156 472 259 LYS CG C 25.387 0.400 1 2157 472 259 LYS N N 116.031 0.400 1 2158 473 260 LYS H H 8.357 0.020 1 2159 473 260 LYS HA H 4.297 0.020 1 2160 473 260 LYS HB2 H 1.925 0.020 1 2161 473 260 LYS HB3 H 1.925 0.020 1 2162 473 260 LYS HD2 H 1.333 0.020 2 2163 473 260 LYS HD3 H 1.603 0.020 2 2164 473 260 LYS HE2 H 2.857 0.020 1 2165 473 260 LYS HE3 H 2.857 0.020 1 2166 473 260 LYS HG2 H 1.556 0.020 2 2167 473 260 LYS HG3 H 1.323 0.020 2 2168 473 260 LYS C C 174.137 0.400 1 2169 473 260 LYS CA C 57.258 0.400 1 2170 473 260 LYS CB C 33.561 0.400 1 2171 473 260 LYS CD C 28.917 0.400 1 2172 473 260 LYS CE C 41.967 0.400 1 2173 473 260 LYS CG C 25.739 0.400 1 2174 473 260 LYS N N 119.377 0.400 1 2175 474 261 LEU H H 9.288 0.020 1 2176 474 261 LEU HA H 5.048 0.020 1 2177 474 261 LEU HB2 H 1.989 0.020 1 2178 474 261 LEU HB3 H 1.989 0.020 1 2179 474 261 LEU HD1 H 0.785 0.020 2 2180 474 261 LEU HD2 H 0.530 0.020 2 2181 474 261 LEU HG H 0.540 0.020 1 2182 474 261 LEU C C 172.558 0.400 1 2183 474 261 LEU CA C 53.327 0.400 1 2184 474 261 LEU CB C 44.313 0.400 1 2185 474 261 LEU CD1 C 24.515 0.400 1 2186 474 261 LEU CD2 C 22.802 0.400 1 2187 474 261 LEU CG C 26.564 0.400 1 2188 474 261 LEU N N 126.482 0.400 1 2189 475 262 VAL H H 8.876 0.020 1 2190 475 262 VAL HA H 4.238 0.020 1 2191 475 262 VAL HB H 1.947 0.020 1 2192 475 262 VAL HG1 H 0.725 0.020 2 2193 475 262 VAL HG2 H 0.769 0.020 2 2194 475 262 VAL C C 174.243 0.400 1 2195 475 262 VAL CA C 59.734 0.400 1 2196 475 262 VAL CB C 34.790 0.400 1 2197 475 262 VAL CG1 C 20.943 0.400 1 2198 475 262 VAL CG2 C 19.788 0.400 1 2199 475 262 VAL N N 124.316 0.400 1 2200 476 263 PHE H H 8.826 0.020 1 2201 476 263 PHE HA H 5.518 0.020 1 2202 476 263 PHE HB2 H 3.328 0.020 2 2203 476 263 PHE HB3 H 3.497 0.020 2 2204 476 263 PHE HD1 H 7.503 0.020 1 2205 476 263 PHE HE1 H 7.286 0.020 1 2206 476 263 PHE HZ H 6.889 0.020 1 2207 476 263 PHE C C 171.887 0.400 1 2208 476 263 PHE CA C 52.082 0.400 1 2209 476 263 PHE CB C 39.792 0.400 1 2210 476 263 PHE CD1 C 131.618 0.400 1 2211 476 263 PHE CE1 C 130.344 0.400 1 2212 476 263 PHE CZ C 127.522 0.400 1 2213 476 263 PHE N N 122.867 0.400 1 2214 477 264 PRO HA H 4.649 0.020 1 2215 477 264 PRO HB2 H 2.054 0.020 2 2216 477 264 PRO HB3 H 2.447 0.020 2 2217 477 264 PRO HD2 H 3.599 0.020 2 2218 477 264 PRO HD3 H 4.175 0.020 2 2219 477 264 PRO HG2 H 2.200 0.020 1 2220 477 264 PRO HG3 H 2.200 0.020 1 2221 477 264 PRO C C 178.322 0.400 1 2222 477 264 PRO CA C 62.333 0.400 1 2223 477 264 PRO CB C 32.553 0.400 1 2224 477 264 PRO CD C 51.218 0.400 1 2225 477 264 PRO CG C 27.322 0.400 1 2226 478 265 SER H H 8.763 0.020 1 2227 478 265 SER HA H 4.494 0.020 1 2228 478 265 SER HB2 H 3.765 0.020 2 2229 478 265 SER HB3 H 3.960 0.020 2 2230 478 265 SER C C 173.725 0.400 1 2231 478 265 SER CA C 59.060 0.400 1 2232 478 265 SER CB C 64.038 0.400 1 2233 478 265 SER N N 116.725 0.400 1 2234 479 266 ASP H H 7.954 0.020 1 2235 479 266 ASP HA H 4.401 0.020 1 2236 479 266 ASP HB2 H 2.583 0.020 2 2237 479 266 ASP HB3 H 2.517 0.020 2 2238 479 266 ASP C C 179.999 0.400 1 2239 479 266 ASP CA C 55.657 0.400 1 2240 479 266 ASP CB C 42.353 0.400 1 2241 479 266 ASP N N 126.669 0.400 1 stop_ save_