data_5886 #Corrected using PDB structure: 1SKYE # #N.B. (Observed* = Observed shift + Offset correction) # #After reference correction, the following residues still #have a CA chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted #255 F CA 55.77 61.61 #256 R CA 53.54 58.73 #281 L CA 51.43 58.68 #282 A CA 60.97 55.78 #283 T CA 62.03 67.13 #284 E CA 52.31 59.38 #393 S CA 57.38 62.86 # #After reference correction, the following residues still #have a CO chemical shift difference (obs*-pred) greater than 5.0ppm: #NUM AA CS Observed* Predicted # 27 Y C 176.71 168.91 # 99 L C 173.02 178.21 #224 A C 173.87 179.83 #225 R C 173.67 178.89 #229 A C 170.02 179.58 #230 L C 170.29 179.34 #256 R C 173.17 178.84 #269 G C 179.01 173.45 #281 L C 172.31 178.60 #284 E C 173.40 179.17 #288 L C 173.86 179.02 #361 E C 173.56 178.99 #411 S C 179.98 172.90 # #After reference correction, the following residues still #have a N chemical shift difference (obs*-pred) greater than 10.0ppm: #NUM AA CS Observed* Predicted # 21 G N 113.14 101.47 # 23 L N 124.63 114.37 # 62 I N 112.13 124.63 # 87 V N 104.72 115.77 #182 I N 115.85 125.86 #228 V N 122.55 112.49 #230 L N 128.91 118.31 #258 T N 123.57 108.89 #283 T N 125.37 113.28 # #After reference correction, the following residues still #have a HN chemical shift difference (obs*-pred) greater than 2.0ppm: #NUM AA CS Observed* Predicted #341 Y H 6.01 8.14 # #The average CS difference between predicted and observed: #HA CA CB CO N HN #N/A 2.34 N/A 1.82 -0.13 -0.08 # #bmr5886.str.corr chemical shifts have been re-referenced with the following #offsets (these values have been added to the original bmr5886.str file): #HA CA CB CO N HN #N/A +2.34 N/A +1.82 -0.13 N/A # #The 95% confidence intervals for the above recommended offsets are: # HA CA CB CO N HN # N/A +/-0.12 N/A +/-0.14 +/-0.22 +/-0.04 # #The Correlation Coefficients between predicted and observed #chemical shifts are: #HA CA CB CO N HN #N/A 0.950 N/A 0.405 0.768 0.474 # #The RMSD between predicted and observed* (reference #corrected) chemical shifts are: #HA CA CB CO N HN #N/A 1.079 N/A 1.296 2.081 0.400 # ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C and 15N Chemical Shift Assignments for TF1 bata subunit ; loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yagi Hiromasa . . 2 Iwabuchi Tomoyuki . . 3 Izumi Kenya . . 4 Yamazaki Toshio . . 5 Yoshida Masasuke . . 6 Akutsu Hideo . . stop_ _BMRB_accession_number 5886 _BMRB_flat_file_name bmr5886.str _Entry_type new _Submission_date 2003-07-29 _Accession_date 2003-07-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count '1H chemical shifts' 389 '15N chemical shifts' 389 '13C chemical shifts' 776 stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_title ; Conformational change of H+-ATPase beta monomer revealed on segmental isotope labeling NMR spectroscopy ; _Citation_status published _Citation_type journal _MEDLINE_UI_code . _PubMed_ID 15600369 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yagi Hiromasa . . 2 Tsujimoto T. . . 3 Yamazaki Toshio . . 4 Yoshida Masasuke . . 5 Akutsu Hideo . . stop_ _Journal_abbreviation "J. Am. Chem. Soc." _Journal_volume 126 _Journal_issue 50 _Page_first 16632 _Page_last 16638 _Year 2004 save_ ################################## # Molecular system description # ################################## save_system_ATPase _Saveframe_category molecular_system _Mol_system_name "TF1 ATPase Beta Subunit" _Abbreviation_common ATPase _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label "TF1 ATPase Beta Subunit" $TF1_ATPase_Beta_Subunit stop_ _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' save_ ######################## # Monomeric polymers # ######################## save_TF1_ATPase_Beta_Subunit _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common "TF1 ATPase Beta Subunit" _Name_variant . _Abbreviation_common ATPase _Mol_thiol_state 'not present' ############################## # Polymer residue sequence # ############################## _Residue_count 473 _Mol_residue_sequence ; MTRGRVIQVMGPVVDVKFEN GHLPAIYNALKIQHKARNEN EVDIDLTLEVALHLGDDTVR TIAMASTDGLIRGMEVIDTG APISVPVGEVTLGRVFNVLG EPIDLEGDIPADARRDPIHR PAPKFEELATEVEILETGIK VVDLLAPYIKGGKIGLFGGA GVGKTVLIQELIHNIAQEHG GISVFAGVGERTREGNDLYH EMKDSGVISKTAMVFGQMNE PPGARMRVALTGLTMAEYFR DEQGQDVLLFIDNIFRFTQA GSEVSALLGRMPSAVGYQPT LATEMGQLQERITSTAKGSI TSIQAIYVPADDYTDPAPAT TFSHLDATTNLERKLAEMGI YPAVDPLASTSRALAPEIVG EEHYQVARKVQQTLQRYKEL QDIIAILGMDELSDEDKLVV HRARRIQFFLSQNFHVAEQF TGQPGSYVPVKETVRGFKEI LEGKYDHLPEDAFRLVGRIE EVVEKAKAMGVEV ; loop_ _Residue_seq_code _Residue_label 1 MET 2 THR 3 ARG 4 GLY 5 ARG 6 VAL 7 ILE 8 GLN 9 VAL 10 MET 11 GLY 12 PRO 13 VAL 14 VAL 15 ASP 16 VAL 17 LYS 18 PHE 19 GLU 20 ASN 21 GLY 22 HIS 23 LEU 24 PRO 25 ALA 26 ILE 27 TYR 28 ASN 29 ALA 30 LEU 31 LYS 32 ILE 33 GLN 34 HIS 35 LYS 36 ALA 37 ARG 38 ASN 39 GLU 40 ASN 41 GLU 42 VAL 43 ASP 44 ILE 45 ASP 46 LEU 47 THR 48 LEU 49 GLU 50 VAL 51 ALA 52 LEU 53 HIS 54 LEU 55 GLY 56 ASP 57 ASP 58 THR 59 VAL 60 ARG 61 THR 62 ILE 63 ALA 64 MET 65 ALA 66 SER 67 THR 68 ASP 69 GLY 70 LEU 71 ILE 72 ARG 73 GLY 74 MET 75 GLU 76 VAL 77 ILE 78 ASP 79 THR 80 GLY 81 ALA 82 PRO 83 ILE 84 SER 85 VAL 86 PRO 87 VAL 88 GLY 89 GLU 90 VAL 91 THR 92 LEU 93 GLY 94 ARG 95 VAL 96 PHE 97 ASN 98 VAL 99 LEU 100 GLY 101 GLU 102 PRO 103 ILE 104 ASP 105 LEU 106 GLU 107 GLY 108 ASP 109 ILE 110 PRO 111 ALA 112 ASP 113 ALA 114 ARG 115 ARG 116 ASP 117 PRO 118 ILE 119 HIS 120 ARG 121 PRO 122 ALA 123 PRO 124 LYS 125 PHE 126 GLU 127 GLU 128 LEU 129 ALA 130 THR 131 GLU 132 VAL 133 GLU 134 ILE 135 LEU 136 GLU 137 THR 138 GLY 139 ILE 140 LYS 141 VAL 142 VAL 143 ASP 144 LEU 145 LEU 146 ALA 147 PRO 148 TYR 149 ILE 150 LYS 151 GLY 152 GLY 153 LYS 154 ILE 155 GLY 156 LEU 157 PHE 158 GLY 159 GLY 160 ALA 161 GLY 162 VAL 163 GLY 164 LYS 165 THR 166 VAL 167 LEU 168 ILE 169 GLN 170 GLU 171 LEU 172 ILE 173 HIS 174 ASN 175 ILE 176 ALA 177 GLN 178 GLU 179 HIS 180 GLY 181 GLY 182 ILE 183 SER 184 VAL 185 PHE 186 ALA 187 GLY 188 VAL 189 GLY 190 GLU 191 ARG 192 THR 193 ARG 194 GLU 195 GLY 196 ASN 197 ASP 198 LEU 199 TYR 200 HIS 201 GLU 202 MET 203 LYS 204 ASP 205 SER 206 GLY 207 VAL 208 ILE 209 SER 210 LYS 211 THR 212 ALA 213 MET 214 VAL 215 PHE 216 GLY 217 GLN 218 MET 219 ASN 220 GLU 221 PRO 222 PRO 223 GLY 224 ALA 225 ARG 226 MET 227 ARG 228 VAL 229 ALA 230 LEU 231 THR 232 GLY 233 LEU 234 THR 235 MET 236 ALA 237 GLU 238 TYR 239 PHE 240 ARG 241 ASP 242 GLU 243 GLN 244 GLY 245 GLN 246 ASP 247 VAL 248 LEU 249 LEU 250 PHE 251 ILE 252 ASP 253 ASN 254 ILE 255 PHE 256 ARG 257 PHE 258 THR 259 GLN 260 ALA 261 GLY 262 SER 263 GLU 264 VAL 265 SER 266 ALA 267 LEU 268 LEU 269 GLY 270 ARG 271 MET 272 PRO 273 SER 274 ALA 275 VAL 276 GLY 277 TYR 278 GLN 279 PRO 280 THR 281 LEU 282 ALA 283 THR 284 GLU 285 MET 286 GLY 287 GLN 288 LEU 289 GLN 290 GLU 291 ARG 292 ILE 293 THR 294 SER 295 THR 296 ALA 297 LYS 298 GLY 299 SER 300 ILE 301 THR 302 SER 303 ILE 304 GLN 305 ALA 306 ILE 307 TYR 308 VAL 309 PRO 310 ALA 311 ASP 312 ASP 313 TYR 314 THR 315 ASP 316 PRO 317 ALA 318 PRO 319 ALA 320 THR 321 THR 322 PHE 323 SER 324 HIS 325 LEU 326 ASP 327 ALA 328 THR 329 THR 330 ASN 331 LEU 332 GLU 333 ARG 334 LYS 335 LEU 336 ALA 337 GLU 338 MET 339 GLY 340 ILE 341 TYR 342 PRO 343 ALA 344 VAL 345 ASP 346 PRO 347 LEU 348 ALA 349 SER 350 THR 351 SER 352 ARG 353 ALA 354 LEU 355 ALA 356 PRO 357 GLU 358 ILE 359 VAL 360 GLY 361 GLU 362 GLU 363 HIS 364 TYR 365 GLN 366 VAL 367 ALA 368 ARG 369 LYS 370 VAL 371 GLN 372 GLN 373 THR 374 LEU 375 GLN 376 ARG 377 TYR 378 LYS 379 GLU 380 LEU 381 GLN 382 ASP 383 ILE 384 ILE 385 ALA 386 ILE 387 LEU 388 GLY 389 MET 390 ASP 391 GLU 392 LEU 393 SER 394 ASP 395 GLU 396 ASP 397 LYS 398 LEU 399 VAL 400 VAL 401 HIS 402 ARG 403 ALA 404 ARG 405 ARG 406 ILE 407 GLN 408 PHE 409 PHE 410 LEU 411 SER 412 GLN 413 ASN 414 PHE 415 HIS 416 VAL 417 ALA 418 GLU 419 GLN 420 PHE 421 THR 422 GLY 423 GLN 424 PRO 425 GLY 426 SER 427 TYR 428 VAL 429 PRO 430 VAL 431 LYS 432 GLU 433 THR 434 VAL 435 ARG 436 GLY 437 PHE 438 LYS 439 GLU 440 ILE 441 LEU 442 GLU 443 GLY 444 LYS 445 TYR 446 ASP 447 HIS 448 LEU 449 PRO 450 GLU 451 ASP 452 ALA 453 PHE 454 ARG 455 LEU 456 VAL 457 GLY 458 ARG 459 ILE 460 GLU 461 GLU 462 VAL 463 VAL 464 GLU 465 LYS 466 ALA 467 LYS 468 ALA 469 MET 470 GLY 471 VAL 472 GLU 473 VAL stop_ _Sequence_homology_query_date 2005-09-22 _Sequence_homology_query_revised_last_date 2005-09-15 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 1SKY "E Chain E, Crystal Structure Of The NucleotideFree Alpha3beta3 Sub-Complex Of F1-Atpase From TheThermophilic Bacillus Ps3" 100.00 473 99 99 0.0 DBJ BAD77643.1 "F0F1-type ATP synthasebeta chain[Geobacillus kaustophilus HTA426]" 100.00 473 100 100 0.0 DBJ BAA07248.1 "ATPase subunit beta [Bacillus caldotenax]" 100.00 473 99 99 0.0 DBJ BAA00066.1 "thermophilic proton ATPase beta subunit[thermophilic bacterium PS3]" 100.00 473 99 99 0.0 DBJ BAA07255.1 "ATPase subunit beta [Geobacillusstearothermophilus]" 100.00 473 98 99 0.0 EMBL CAA28277.1 "unnamed protein product [thermophilicbacterium PS3]" 100.00 473 99 99 0.0 EMBL CAA30655.1 "unnamed protein product [Bacillus sp. PS3]" 100.00 473 99 99 0.0 GenBank AAF64075.1 "ATP synthase beta subunit [Geobacillusthermoleovorans]" 100.00 473 100 100 0.0 PIR A25504 "H+-transporting two-sector ATPase (EC3.6.3.14) beta chain - thermophilic bacterium PS-3" 100.00 473 99 99 0.0 REF YP_149211.1 "F0F1-type ATP synthasebeta chain[Geobacillus kaustophilus HTA426]" 100.00 473 100 100 0.0 SWISS-PROT P41009 "ATPB_BACCA ATP synthase beta chain" 100.00 473 99 99 0.0 SWISS-PROT Q9LA80 "ATPB_GEOTH ATP synthase beta chain" 100.00 473 100 100 0.0 SWISS-PROT P07677 "ATPB_BACP3 ATP synthase beta chain" 100.00 473 99 99 0.0 SWISS-PROT P42006 "ATPB_BACST ATP synthase beta chain" 100.00 473 98 99 0.0 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $TF1_ATPase_Beta_Subunit Bacillus 1386 Eubacteria . Thermophilic bacillus ps-3 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 $TF1_ATPase_Beta_Subunit 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Saveframe_category sample _Sample_type solution _Details ; Segmental labeling with with 13C, 15N, 2H labeling levels known: [95% 13C; 98% 15N; 80% 2H] 1-124a.a. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $TF1_ATPase_Beta_Subunit 0.3 mM 0.1 0.4 "[U-95% 13C; U-98% 15N; U-80% 2H] 1-124a.a." stop_ save_ save_Sample_2 _Saveframe_category sample _Sample_type solution _Details ; Segmental labeling with with 13C, 15N, 2H labeling levels known: [95% 13C; 98% 15N; 80% 2H] 1-271a.a. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $TF1_ATPase_Beta_Subunit 0.3 mM 0.4 0.1 "[U-95% 13C; U-98% 15N; U-80% 2H] 1-271a.a." stop_ save_ save_Sample_3 _Saveframe_category sample _Sample_type solution _Details ; Segmental labeling with with 13C, 15N, 2H labeling levels known: [95% 13C; 98% 15N; 80% 2H] 272-473a.a. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $TF1_ATPase_Beta_Subunit 0.3 mM 0.4 0.1 "[U-95% 13C; U-98% 15N; U-80% 2H] 272-473a.a." stop_ save_ save_Sample_4 _Saveframe_category sample _Sample_type solution _Details ; Segmental labeling with with 13C, 15N, 2H labeling levels known: [95% 13C; 98% 15N; 80% 2H] 391-473a.a. ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $TF1_ATPase_Beta_Subunit 0.3 mM 0.4 0.1 "[U-95% 13C; U-98% 15N; U-80% 2H] 391-473a.a." stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 4.3.2 save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_applied_experiment _Saveframe_category NMR_applied_experiment _Experiment_name ; 1H-15N HSQC TROSY HNCO TROSY HNCA TROSY HN(CO)CA TROSY HNCACB TROSY HN(CO)CACB TROSY HN(CA)CO TROSY ; save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 8.0 0.3 n/a temperature 313 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # Index Value Definition # # # # 1 Unique (geminal atoms and geminal methyl # # groups with identical chemical shifts # # are assumed to be assigned to # # stereospecific atoms) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 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) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_Shift_set_1 _Saveframe_category assigned_chemical_shifts loop_ _Sample_label $Sample_1 $Sample_2 $Sample_3 $Sample_4 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name "TF1 ATPase Beta Subunit" loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 3 ARG H H 8.54 0.02 1 2 3 ARG C C 173.50 0.02 1 3 3 ARG CA C 55.25 0.02 1 4 3 ARG N N 123.17 0.05 1 5 4 GLY H H 9.00 0.02 1 6 4 GLY C C 175.50 0.02 1 7 4 GLY CA C 43.61 0.02 1 8 4 GLY N N 111.57 0.05 1 9 5 ARG H H 8.43 0.02 1 10 5 ARG C C 172.83 0.02 1 11 5 ARG CA C 53.60 0.02 1 12 5 ARG N N 117.58 0.05 1 13 6 VAL H H 8.64 0.02 1 14 6 VAL C C 175.50 0.02 1 15 6 VAL CA C 64.17 0.02 1 16 6 VAL N N 122.41 0.05 1 17 7 ILE H H 9.02 0.02 1 18 7 ILE C C 176.70 0.02 1 19 7 ILE CA C 60.81 0.02 1 20 7 ILE N N 124.40 0.05 1 21 8 GLN H H 7.40 0.02 1 22 8 GLN C C 174.86 0.02 1 23 8 GLN CA C 56.25 0.02 1 24 8 GLN N N 118.22 0.05 1 25 9 VAL H H 7.96 0.02 1 29 10 MET H H 8.90 0.02 1 33 13 VAL H H 7.74 0.02 1 34 13 VAL C C 174.37 0.02 1 35 13 VAL CA C 61.08 0.02 1 36 13 VAL N N 122.46 0.05 1 37 14 VAL H H 8.14 0.02 1 38 14 VAL C C 173.64 0.02 1 39 14 VAL CA C 60.68 0.02 1 40 14 VAL N N 123.86 0.05 1 41 15 ASP H H 9.27 0.02 1 42 15 ASP C C 175.82 0.02 1 43 15 ASP CA C 53.45 0.02 1 44 15 ASP N N 132.23 0.05 1 45 16 VAL H H 9.25 0.02 1 46 16 VAL C C 176.23 0.02 1 47 16 VAL CA C 60.59 0.02 1 48 16 VAL N N 122.89 0.05 1 49 17 LYS H H 8.70 0.02 1 50 17 LYS C C 172.47 0.02 1 51 17 LYS CA C 54.75 0.02 1 52 17 LYS N N 127.85 0.05 1 53 18 PHE H H 9.48 0.02 1 54 18 PHE C C 175.43 0.02 1 55 18 PHE CA C 58.02 0.02 1 56 18 PHE N N 127.92 0.05 1 57 19 GLU H H 8.79 0.02 1 58 19 GLU C C 175.89 0.02 1 59 19 GLU CA C 53.49 0.02 1 60 19 GLU N N 117.47 0.05 1 61 20 ASN H H 7.70 0.02 1 62 20 ASN C C 174.14 0.02 1 63 20 ASN CA C 55.02 0.02 1 64 20 ASN N N 118.32 0.05 1 65 21 GLY H H 8.16 0.02 1 66 21 GLY C C 175.89 0.02 1 67 21 GLY CA C 45.72 0.02 1 68 21 GLY N N 113.14 0.05 1 69 22 HIS H H 7.55 0.02 1 73 23 LEU H H 7.11 0.02 1 74 23 LEU C C 172.63 0.02 1 75 23 LEU CA C 50.26 0.02 1 76 23 LEU N N 124.63 0.05 1 77 25 ALA H H 7.39 0.02 1 78 25 ALA C C 174.53 0.02 1 79 25 ALA CA C 51.52 0.02 1 80 25 ALA N N 124.38 0.05 1 81 26 ILE H H 7.91 0.02 1 82 26 ILE C C 176.78 0.02 1 83 26 ILE CA C 62.04 0.02 1 84 26 ILE N N 119.95 0.05 1 85 27 TYR H H 7.94 0.02 1 86 27 TYR C C 176.71 0.02 1 87 27 TYR CA C 58.99 0.02 1 88 27 TYR N N 117.93 0.05 1 89 28 ASN H H 8.13 0.02 1 90 28 ASN C C 174.68 0.02 1 91 28 ASN CA C 53.96 0.02 1 92 28 ASN N N 120.81 0.05 1 93 29 ALA H H 9.08 0.02 1 94 29 ALA C C 174.72 0.02 1 95 29 ALA CA C 50.35 0.02 1 96 29 ALA N N 122.46 0.05 1 97 30 LEU H H 9.85 0.02 1 98 30 LEU C C 176.96 0.02 1 99 30 LEU CA C 51.81 0.02 1 100 30 LEU N N 124.94 0.05 1 101 31 LYS H H 9.37 0.02 1 102 31 LYS C C 175.79 0.02 1 103 31 LYS CA C 53.93 0.02 1 104 31 LYS N N 119.70 0.05 1 105 32 ILE H H 9.01 0.02 1 106 32 ILE C C 175.67 0.02 1 107 32 ILE CA C 61.12 0.02 1 108 32 ILE N N 123.41 0.05 1 109 33 GLN H H 8.85 0.02 1 110 33 GLN C C 174.23 0.02 1 111 33 GLN CA C 54.27 0.02 1 112 33 GLN N N 127.44 0.05 1 113 34 HIS H H 9.02 0.02 1 114 34 HIS C C 174.01 0.02 1 115 34 HIS CA C 56.27 0.02 1 116 34 HIS N N 124.43 0.05 1 117 35 LYS H H 7.83 0.02 1 118 35 LYS C C 173.73 0.02 1 119 35 LYS CA C 53.25 0.02 1 120 35 LYS N N 128.38 0.05 1 121 36 ALA H H 9.06 0.02 1 122 36 ALA C C 174.93 0.02 1 123 36 ALA CA C 53.13 0.02 1 124 36 ALA N N 126.38 0.05 1 125 37 ARG H H 9.05 0.02 1 126 37 ARG C C 178.80 0.02 1 127 37 ARG CA C 56.23 0.02 1 128 37 ARG N N 121.38 0.05 1 129 38 ASN H H 7.61 0.02 1 130 38 ASN C C 175.68 0.02 1 131 38 ASN CA C 51.93 0.02 1 132 38 ASN N N 111.96 0.05 1 133 39 GLU H H 8.48 0.02 1 134 39 GLU C C 172.83 0.02 1 135 39 GLU CA C 53.51 0.02 1 136 39 GLU N N 117.70 0.05 1 137 40 ASN H H 8.38 0.02 1 138 40 ASN C C 172.64 0.02 1 139 40 ASN CA C 53.61 0.02 1 140 40 ASN N N 117.79 0.05 1 141 41 GLU H H 7.59 0.02 1 142 41 GLU C C 174.17 0.02 1 143 41 GLU CA C 54.75 0.02 1 144 41 GLU N N 119.42 0.05 1 145 42 VAL H H 8.02 0.02 1 146 42 VAL C C 174.18 0.02 1 147 42 VAL CA C 59.54 0.02 1 148 42 VAL N N 113.88 0.05 1 149 43 ASP H H 8.29 0.02 1 150 43 ASP C C 174.77 0.02 1 151 43 ASP CA C 54.42 0.02 1 152 43 ASP N N 122.37 0.05 1 153 44 ILE H H 8.99 0.02 1 154 44 ILE C C 176.07 0.02 1 155 44 ILE CA C 59.47 0.02 1 156 44 ILE N N 121.67 0.05 1 157 45 ASP H H 8.61 0.02 1 158 45 ASP C C 174.69 0.02 1 159 45 ASP CA C 53.85 0.02 1 160 45 ASP N N 128.50 0.05 1 161 46 LEU H H 8.92 0.02 1 162 46 LEU C C 173.99 0.02 1 163 46 LEU CA C 54.07 0.02 1 164 46 LEU N N 125.46 0.05 1 165 47 THR H H 8.20 0.02 1 166 47 THR C C 174.65 0.02 1 167 47 THR CA C 62.36 0.02 1 168 47 THR N N 121.14 0.05 1 169 48 LEU H H 9.33 0.02 1 170 48 LEU C C 171.81 0.02 1 171 48 LEU CA C 52.06 0.02 1 172 48 LEU N N 125.46 0.05 1 173 49 GLU H H 9.23 0.02 1 174 49 GLU C C 175.06 0.02 1 175 49 GLU CA C 54.57 0.02 1 176 49 GLU N N 121.99 0.05 1 177 50 VAL H H 8.90 0.02 1 178 50 VAL C C 176.35 0.02 1 179 50 VAL CA C 65.95 0.02 1 180 50 VAL N N 127.19 0.05 1 181 51 ALA H H 9.16 0.02 1 182 51 ALA C C 174.92 0.02 1 183 51 ALA CA C 52.98 0.02 1 184 51 ALA N N 132.35 0.05 1 185 52 LEU H H 7.90 0.02 1 186 52 LEU C C 175.10 0.02 1 187 52 LEU CA C 54.20 0.02 1 188 52 LEU N N 113.11 0.05 1 189 53 HIS H H 8.95 0.02 1 190 53 HIS C C 175.39 0.02 1 191 53 HIS CA C 54.38 0.02 1 192 53 HIS N N 123.04 0.05 1 193 54 LEU H H 8.46 0.02 1 194 54 LEU C C 174.71 0.02 1 195 54 LEU CA C 54.47 0.02 1 196 54 LEU N N 123.34 0.05 1 197 55 GLY H H 8.01 0.02 1 198 55 GLY C C 176.62 0.02 1 199 55 GLY CA C 44.55 0.02 1 200 55 GLY N N 107.40 0.05 1 201 56 ASP H H 7.72 0.02 1 202 56 ASP C C 173.21 0.02 1 203 56 ASP CA C 55.08 0.02 1 204 56 ASP N N 118.83 0.05 1 205 57 ASP H H 8.13 0.02 1 206 57 ASP C C 176.07 0.02 1 207 57 ASP CA C 54.29 0.02 1 208 57 ASP N N 113.28 0.05 1 209 58 THR H H 7.30 0.02 1 210 58 THR C C 174.45 0.02 1 211 58 THR CA C 61.49 0.02 1 212 58 THR N N 113.08 0.05 1 213 59 VAL H H 9.32 0.02 1 214 59 VAL C C 173.20 0.02 1 215 59 VAL CA C 58.25 0.02 1 216 59 VAL N N 116.96 0.05 1 217 60 ARG H H 9.04 0.02 1 218 60 ARG C C 172.45 0.02 1 219 60 ARG CA C 55.66 0.02 1 220 60 ARG N N 124.16 0.05 1 221 61 THR H H 8.71 0.02 1 222 61 THR C C 175.66 0.02 1 223 61 THR CA C 59.98 0.02 1 224 61 THR N N 119.96 0.05 1 225 62 ILE H H 8.86 0.02 1 226 62 ILE C C 172.10 0.02 1 227 62 ILE CA C 58.40 0.02 1 228 62 ILE N N 112.13 0.05 1 229 63 ALA H H 8.64 0.02 1 230 63 ALA C C 175.14 0.02 1 231 63 ALA CA C 52.19 0.02 1 232 63 ALA N N 125.84 0.05 1 233 64 MET H H 8.32 0.02 1 237 65 ALA H H 7.63 0.02 1 238 65 ALA C C 173.95 0.02 1 239 65 ALA CA C 50.72 0.02 1 240 65 ALA N N 118.27 0.05 1 241 67 THR H H 8.25 0.02 1 242 67 THR C C 177.49 0.02 1 243 67 THR CA C 60.13 0.02 1 244 67 THR N N 112.85 0.05 1 245 68 ASP H H 9.14 0.02 1 247 68 ASP CA C 53.37 0.02 1 248 68 ASP N N 124.44 0.05 1 249 69 GLY H H 8.80 0.02 1 250 69 GLY C C 175.52 0.02 1 251 69 GLY CA C 45.68 0.02 1 252 69 GLY N N 107.82 0.05 1 253 70 LEU H H 7.64 0.02 1 254 70 LEU CA C 55.83 0.02 1 255 70 LEU N N 120.26 0.05 1 256 71 ILE H H 7.66 0.02 1 257 71 ILE C C 176.15 0.02 1 258 71 ILE CA C 58.90 0.02 1 259 71 ILE N N 119.81 0.05 1 260 72 ARG H H 8.37 0.02 1 261 72 ARG C C 174.78 0.02 1 262 72 ARG CA C 57.75 0.02 1 263 72 ARG N N 122.02 0.05 1 264 73 GLY H H 9.18 0.02 1 265 73 GLY C C 176.51 0.02 1 266 73 GLY CA C 44.49 0.02 1 267 73 GLY N N 112.04 0.05 1 268 74 MET H H 7.43 0.02 1 269 74 MET C C 174.09 0.02 1 270 74 MET CA C 57.60 0.02 1 271 74 MET N N 119.71 0.05 1 272 75 GLU H H 8.72 0.02 1 276 76 VAL H H 8.12 0.02 1 277 76 VAL C C 174.92 0.02 1 278 76 VAL CA C 59.52 0.02 1 279 76 VAL N N 122.84 0.05 1 280 78 ASP H H 7.19 0.02 1 281 78 ASP C C 175.07 0.02 1 282 78 ASP CA C 52.67 0.02 1 283 78 ASP N N 119.90 0.05 1 284 79 THR H H 8.37 0.02 1 285 79 THR CA C 63.91 0.02 1 286 79 THR N N 118.02 0.05 1 287 80 GLY H H 8.90 0.02 1 291 81 ALA H H 7.91 0.02 1 292 81 ALA C C 172.25 0.02 1 293 81 ALA CA C 50.37 0.02 1 294 81 ALA N N 122.30 0.05 1 295 83 ILE H H 9.63 0.02 1 296 83 ILE C C 176.04 0.02 1 297 83 ILE CA C 64.21 0.02 1 298 83 ILE N N 125.93 0.05 1 299 84 SER H H 8.44 0.02 1 303 85 VAL H H 8.76 0.02 1 304 85 VAL C C 173.20 0.02 1 305 85 VAL CA C 57.45 0.02 1 306 85 VAL N N 117.72 0.05 1 307 87 VAL H H 6.62 0.02 1 308 87 VAL C C 172.31 0.02 1 309 87 VAL CA C 57.60 0.02 1 310 87 VAL N N 104.72 0.05 1 311 88 GLY H H 8.24 0.02 1 312 88 GLY C C 175.44 0.02 1 313 88 GLY CA C 43.37 0.02 1 314 88 GLY N N 105.10 0.05 1 315 89 GLU H H 8.12 0.02 1 316 89 GLU C C 176.39 0.02 1 317 89 GLU CA C 60.54 0.02 1 318 89 GLU N N 120.43 0.05 1 319 90 VAL H H 7.88 0.02 1 320 90 VAL C C 177.64 0.02 1 321 90 VAL CA C 62.98 0.02 1 322 90 VAL N N 114.28 0.05 1 323 91 THR H H 7.96 0.02 1 324 91 THR C C 174.68 0.02 1 325 91 THR CA C 62.68 0.02 1 326 91 THR N N 108.47 0.05 1 327 92 LEU H H 7.22 0.02 1 328 92 LEU C C 174.34 0.02 1 329 92 LEU CA C 55.24 0.02 1 330 92 LEU N N 118.80 0.05 1 331 93 GLY H H 9.54 0.02 1 332 93 GLY C C 178.35 0.02 1 333 93 GLY CA C 45.66 0.02 1 334 93 GLY N N 112.18 0.05 1 335 94 ARG H H 7.55 0.02 1 336 94 ARG C C 173.31 0.02 1 337 94 ARG CA C 51.36 0.02 1 338 94 ARG N N 117.20 0.05 1 339 95 VAL H H 7.38 0.02 1 340 95 VAL C C 173.31 0.02 1 341 95 VAL CA C 59.67 0.02 1 342 95 VAL N N 116.80 0.05 1 343 96 PHE H H 9.21 0.02 1 344 96 PHE C C 174.40 0.02 1 345 96 PHE CA C 57.06 0.02 1 346 96 PHE N N 124.88 0.05 1 347 97 ASN H H 8.49 0.02 1 348 97 ASN C C 174.93 0.02 1 349 97 ASN CA C 50.66 0.02 1 350 97 ASN N N 116.37 0.05 1 351 98 VAL H H 9.24 0.02 1 352 98 VAL C C 177.85 0.02 1 353 98 VAL CA C 63.93 0.02 1 354 98 VAL N N 117.00 0.05 1 355 99 LEU H H 6.81 0.02 1 356 99 LEU C C 173.02 0.02 1 357 99 LEU CA C 53.42 0.02 1 358 99 LEU N N 113.83 0.05 1 359 100 GLY H H 8.82 0.02 1 363 101 GLU H H 8.07 0.02 1 364 101 GLU C C 172.74 0.02 1 365 101 GLU CA C 52.03 0.02 1 366 101 GLU N N 119.98 0.05 1 367 103 ILE H H 8.93 0.02 1 371 104 ASP H H 8.06 0.02 1 372 104 ASP C C 174.26 0.02 1 373 104 ASP CA C 56.56 0.02 1 374 104 ASP N N 123.25 0.05 1 375 106 GLU H H 7.77 0.02 1 376 106 GLU C C 177.86 0.02 1 377 106 GLU CA C 56.22 0.02 1 378 106 GLU N N 117.22 0.05 1 379 107 GLY H H 8.17 0.02 1 380 107 GLY C C 176.57 0.02 1 381 107 GLY CA C 44.35 0.02 1 382 107 GLY N N 108.00 0.05 1 383 108 ASP H H 8.24 0.02 1 387 109 ILE H H 8.85 0.02 1 391 112 ASP H H 8.24 0.02 1 392 112 ASP C C 175.68 0.02 1 393 112 ASP CA C 52.99 0.02 1 394 112 ASP N N 113.07 0.05 1 395 113 ALA H H 7.28 0.02 1 396 113 ALA C C 175.80 0.02 1 397 113 ALA CA C 52.49 0.02 1 398 113 ALA N N 122.85 0.05 1 399 114 ARG H H 8.30 0.02 1 400 114 ARG C C 176.95 0.02 1 401 114 ARG CA C 56.95 0.02 1 402 114 ARG N N 124.81 0.05 1 403 115 ARG H H 7.98 0.02 1 407 116 ASP H H 8.69 0.02 1 408 116 ASP C C 174.76 0.02 1 409 116 ASP CA C 50.51 0.02 1 410 116 ASP N N 123.87 0.05 1 411 118 ILE H H 8.45 0.02 1 412 118 ILE C C 177.61 0.02 1 413 118 ILE CA C 61.71 0.02 1 414 118 ILE N N 110.05 0.05 1 415 119 HIS H H 6.45 0.02 1 419 120 ARG H H 7.66 0.02 1 420 120 ARG C C 173.71 0.02 1 421 120 ARG CA C 53.19 0.02 1 422 120 ARG N N 120.46 0.05 1 423 122 ALA H H 8.38 0.02 1 427 127 GLU H H 8.09 0.02 1 428 127 GLU C C 176.27 0.02 1 429 127 GLU CA C 56.03 0.02 1 430 127 GLU N N 118.66 0.05 1 431 128 LEU H H 7.44 0.02 1 432 128 LEU C C 176.00 0.02 1 433 128 LEU CA C 54.99 0.02 1 434 128 LEU N N 119.37 0.05 1 435 129 ALA H H 7.83 0.02 1 436 129 ALA C C 176.93 0.02 1 437 129 ALA CA C 52.03 0.02 1 438 129 ALA N N 124.52 0.05 1 439 130 THR H H 8.28 0.02 1 440 130 THR C C 177.92 0.02 1 441 130 THR CA C 62.04 0.02 1 442 130 THR N N 112.23 0.05 1 443 131 GLU H H 7.80 0.02 1 444 131 GLU C C 174.36 0.02 1 445 131 GLU CA C 55.23 0.02 1 446 131 GLU N N 121.48 0.05 1 447 132 VAL H H 8.43 0.02 1 448 132 VAL C C 175.39 0.02 1 449 132 VAL CA C 62.29 0.02 1 450 132 VAL N N 123.54 0.05 1 451 133 GLU H H 8.83 0.02 1 452 133 GLU C C 174.52 0.02 1 453 133 GLU CA C 54.15 0.02 1 454 133 GLU N N 126.22 0.05 1 455 134 ILE H H 8.51 0.02 1 456 134 ILE C C 175.05 0.02 1 457 134 ILE CA C 60.09 0.02 1 458 134 ILE N N 120.07 0.05 1 459 135 LEU H H 8.50 0.02 1 460 135 LEU C C 175.34 0.02 1 461 135 LEU CA C 52.49 0.02 1 462 135 LEU N N 128.01 0.05 1 463 136 GLU H H 8.52 0.02 1 464 136 GLU C C 173.32 0.02 1 465 136 GLU CA C 57.15 0.02 1 466 136 GLU N N 128.46 0.05 1 467 137 THR H H 10.12 0.02 1 468 137 THR C C 174.81 0.02 1 469 137 THR CA C 63.70 0.02 1 470 137 THR N N 122.33 0.05 1 471 138 GLY H H 9.14 0.02 1 472 138 GLY C C 175.52 0.02 1 473 138 GLY CA C 43.56 0.02 1 474 138 GLY N N 112.24 0.05 1 475 139 ILE H H 7.84 0.02 1 476 139 ILE C C 173.30 0.02 1 477 139 ILE CA C 60.31 0.02 1 478 139 ILE N N 121.50 0.05 1 479 140 LYS H H 9.10 0.02 1 480 140 LYS C C 174.80 0.02 1 481 140 LYS CA C 60.13 0.02 1 482 140 LYS N N 127.15 0.05 1 483 141 VAL H H 8.93 0.02 1 484 141 VAL C C 177.68 0.02 1 485 141 VAL CA C 64.50 0.02 1 486 141 VAL N N 114.13 0.05 1 487 142 VAL H H 6.22 0.02 1 488 142 VAL C C 174.92 0.02 1 489 142 VAL CA C 65.61 0.02 1 490 142 VAL N N 120.42 0.05 1 491 143 ASP H H 7.90 0.02 1 492 143 ASP C C 176.19 0.02 1 493 143 ASP CA C 56.80 0.02 1 494 143 ASP N N 115.91 0.05 1 495 144 LEU H H 8.22 0.02 1 496 144 LEU C C 176.82 0.02 1 497 144 LEU CA C 56.69 0.02 1 498 144 LEU N N 110.90 0.05 1 499 145 LEU H H 6.81 0.02 1 503 146 ALA H H 8.26 0.02 1 504 146 ALA C C 175.33 0.02 1 505 146 ALA CA C 50.68 0.02 1 506 146 ALA N N 119.91 0.05 1 507 148 TYR H H 9.21 0.02 1 508 148 TYR C C 177.39 0.02 1 509 148 TYR CA C 53.74 0.02 1 510 148 TYR N N 122.96 0.05 1 511 149 ILE H H 6.53 0.02 1 512 149 ILE C C 174.95 0.02 1 513 149 ILE CA C 59.32 0.02 1 514 149 ILE N N 116.57 0.05 1 515 150 LYS H H 8.58 0.02 1 516 150 LYS C C 175.15 0.02 1 517 150 LYS CA C 57.76 0.02 1 518 150 LYS N N 124.81 0.05 1 519 151 GLY H H 9.05 0.02 1 520 151 GLY C C 175.69 0.02 1 521 151 GLY CA C 44.81 0.02 1 522 151 GLY N N 114.55 0.05 1 523 152 GLY H H 8.18 0.02 1 524 152 GLY C C 173.75 0.02 1 525 152 GLY CA C 44.15 0.02 1 526 152 GLY N N 106.62 0.05 1 527 153 LYS H H 9.52 0.02 1 528 153 LYS C C 170.81 0.02 1 529 153 LYS CA C 55.83 0.02 1 530 153 LYS N N 119.54 0.05 1 531 154 ILE H H 9.12 0.02 1 535 155 GLY H H 9.01 0.02 1 539 164 LYS H H 8.37 0.02 1 540 164 LYS C C 175.16 0.02 1 541 164 LYS CA C 55.69 0.02 1 542 164 LYS N N 121.59 0.05 1 543 165 THR H H 8.76 0.02 1 544 165 THR C C 176.50 0.02 1 545 165 THR CA C 65.70 0.02 1 546 165 THR N N 115.19 0.05 1 547 166 VAL H H 7.16 0.02 1 548 166 VAL C C 176.75 0.02 1 549 166 VAL CA C 66.04 0.02 1 550 166 VAL N N 124.07 0.05 1 551 167 LEU H H 7.83 0.02 1 552 167 LEU C C 176.34 0.02 1 553 167 LEU CA C 58.32 0.02 1 554 167 LEU N N 120.22 0.05 1 555 168 ILE H H 7.87 0.02 1 556 168 ILE C C 177.73 0.02 1 557 168 ILE CA C 66.08 0.02 1 558 168 ILE N N 116.58 0.05 1 559 169 GLN H H 7.77 0.02 1 560 169 GLN C C 176.37 0.02 1 561 169 GLN CA C 59.60 0.02 1 562 169 GLN N N 115.07 0.05 1 563 170 GLU H H 8.69 0.02 1 564 170 GLU C C 176.48 0.02 1 565 170 GLU CA C 58.54 0.02 1 566 170 GLU N N 122.95 0.05 1 567 171 LEU H H 8.33 0.02 1 568 171 LEU C C 179.17 0.02 1 569 171 LEU CA C 58.62 0.02 1 570 171 LEU N N 120.06 0.05 1 571 172 ILE H H 8.01 0.02 1 572 172 ILE C C 178.14 0.02 1 573 172 ILE CA C 65.45 0.02 1 574 172 ILE N N 118.44 0.05 1 575 173 HIS H H 8.79 0.02 1 576 173 HIS C C 179.01 0.02 1 577 173 HIS CA C 60.35 0.02 1 578 173 HIS N N 117.06 0.05 1 579 174 ASN H H 9.55 0.02 1 580 174 ASN C C 177.22 0.02 1 581 174 ASN CA C 55.97 0.02 1 582 174 ASN N N 121.08 0.05 1 583 175 ILE H H 8.73 0.02 1 584 175 ILE C C 177.45 0.02 1 585 175 ILE CA C 63.89 0.02 1 586 175 ILE N N 122.41 0.05 1 587 176 ALA H H 7.71 0.02 1 588 176 ALA C C 178.96 0.02 1 589 176 ALA CA C 55.02 0.02 1 590 176 ALA N N 124.17 0.05 1 591 177 GLN H H 8.27 0.02 1 592 177 GLN C C 179.51 0.02 1 593 177 GLN CA C 58.60 0.02 1 594 177 GLN N N 116.83 0.05 1 595 178 GLU H H 7.97 0.02 1 596 178 GLU C C 177.06 0.02 1 597 178 GLU CA C 56.16 0.02 1 598 178 GLU N N 113.57 0.05 1 599 179 HIS H H 6.98 0.02 1 600 179 HIS C C 177.03 0.02 1 601 179 HIS CA C 54.75 0.02 1 602 179 HIS N N 112.56 0.05 1 603 180 GLY H H 7.52 0.02 1 604 180 GLY C C 176.00 0.02 1 605 180 GLY CA C 46.47 0.02 1 606 180 GLY N N 109.70 0.05 1 607 181 GLY H H 7.80 0.02 1 608 181 GLY C C 174.50 0.02 1 609 181 GLY CA C 44.29 0.02 1 610 181 GLY N N 107.43 0.05 1 611 182 ILE H H 7.46 0.02 1 612 182 ILE C C 172.25 0.02 1 613 182 ILE CA C 58.01 0.02 1 614 182 ILE N N 115.85 0.05 1 615 183 SER H H 8.04 0.02 1 616 183 SER C C 173.65 0.02 1 617 183 SER CA C 58.13 0.02 1 618 183 SER N N 114.02 0.05 1 619 184 VAL H H 9.22 0.02 1 620 184 VAL C C 171.72 0.02 1 621 184 VAL CA C 60.43 0.02 1 622 184 VAL N N 121.04 0.05 1 623 185 PHE H H 9.52 0.02 1 627 186 ALA H H 8.91 0.02 1 631 202 MET H H 8.11 0.02 1 632 202 MET C C 179.06 0.02 1 633 202 MET CA C 58.03 0.02 1 634 202 MET N N 116.89 0.05 1 635 203 LYS H H 8.09 0.02 1 636 203 LYS C C 178.54 0.02 1 637 203 LYS CA C 59.03 0.02 1 638 203 LYS N N 122.14 0.05 1 639 204 ASP H H 8.15 0.02 1 640 204 ASP C C 178.64 0.02 1 641 204 ASP CA C 56.67 0.02 1 642 204 ASP N N 121.18 0.05 1 643 205 SER H H 8.23 0.02 1 644 205 SER C C 177.57 0.02 1 645 205 SER CA C 58.97 0.02 1 646 205 SER N N 112.87 0.05 1 647 206 GLY H H 7.72 0.02 1 648 206 GLY C C 175.37 0.02 1 649 206 GLY CA C 45.42 0.02 1 650 206 GLY N N 109.06 0.05 1 651 207 VAL H H 7.73 0.02 1 652 207 VAL C C 175.44 0.02 1 653 207 VAL CA C 62.09 0.02 1 654 207 VAL N N 112.86 0.05 1 655 208 ILE H H 7.32 0.02 1 656 208 ILE C C 177.11 0.02 1 657 208 ILE CA C 61.36 0.02 1 658 208 ILE N N 121.62 0.05 1 659 209 SER H H 7.44 0.02 1 660 209 SER C C 174.30 0.02 1 661 209 SER CA C 60.26 0.02 1 662 209 SER N N 113.45 0.05 1 663 210 LYS H H 7.52 0.02 1 664 210 LYS C C 174.09 0.02 1 665 210 LYS CA C 53.36 0.02 1 666 210 LYS N N 118.55 0.05 1 667 211 THR H H 7.60 0.02 1 668 211 THR C C 173.42 0.02 1 669 211 THR CA C 60.75 0.02 1 670 211 THR N N 113.74 0.05 1 671 212 ALA H H 8.59 0.02 1 672 212 ALA C C 173.80 0.02 1 673 212 ALA CA C 51.38 0.02 1 674 212 ALA N N 129.67 0.05 1 675 213 MET H H 8.64 0.02 1 676 213 MET C C 176.71 0.02 1 677 213 MET CA C 54.82 0.02 1 678 213 MET N N 119.80 0.05 1 679 214 VAL H H 7.05 0.02 1 680 214 VAL C C 178.53 0.02 1 681 214 VAL CA C 60.33 0.02 1 682 214 VAL N N 113.27 0.05 1 683 215 PHE H H 8.24 0.02 1 684 215 PHE C C 177.63 0.02 1 685 215 PHE CA C 59.82 0.02 1 686 215 PHE N N 119.51 0.05 1 687 216 GLY H H 8.93 0.02 1 688 216 GLY C C 175.73 0.02 1 689 216 GLY CA C 44.65 0.02 1 690 216 GLY N N 114.28 0.05 1 691 217 GLN H H 8.18 0.02 1 692 217 GLN C C 176.39 0.02 1 693 217 GLN CA C 58.55 0.02 1 694 217 GLN N N 112.45 0.05 1 695 218 MET H H 7.68 0.02 1 699 219 ASN H H 7.52 0.02 1 703 223 GLY H H 8.33 0.02 1 704 223 GLY C C 177.19 0.02 1 705 223 GLY CA C 47.85 0.02 1 706 223 GLY N N 104.13 0.05 1 707 224 ALA H H 6.93 0.02 1 708 224 ALA C C 173.87 0.02 1 709 224 ALA CA C 54.72 0.02 1 710 224 ALA N N 121.70 0.05 1 711 225 ARG H H 9.34 0.02 1 712 225 ARG C C 173.67 0.02 1 713 225 ARG CA C 59.72 0.02 1 714 225 ARG N N 122.94 0.05 1 715 226 MET H H 9.24 0.02 1 716 226 MET C C 174.52 0.02 1 717 226 MET CA C 57.14 0.02 1 718 226 MET N N 125.37 0.05 1 719 227 ARG H H 7.56 0.02 1 720 227 ARG C C 178.53 0.02 1 721 227 ARG CA C 56.38 0.02 1 722 227 ARG N N 117.18 0.05 1 723 228 VAL H H 7.69 0.02 1 724 228 VAL C C 176.48 0.02 1 725 228 VAL CA C 67.24 0.02 1 726 228 VAL N N 122.55 0.05 1 727 229 ALA H H 8.99 0.02 1 731 230 LEU H H 8.76 0.02 1 732 230 LEU C C 170.29 0.02 1 733 230 LEU CA C 53.26 0.02 1 734 230 LEU N N 128.91 0.05 1 735 232 GLY H H 8.22 0.02 1 736 232 GLY C C 175.59 0.02 1 737 232 GLY CA C 46.96 0.02 1 738 232 GLY N N 105.16 0.05 1 739 233 LEU H H 8.21 0.02 1 740 233 LEU C C 174.03 0.02 1 741 233 LEU CA C 58.12 0.02 1 742 233 LEU N N 122.84 0.05 1 743 234 THR H H 8.09 0.02 1 744 234 THR C C 176.69 0.02 1 745 234 THR CA C 66.87 0.02 1 746 234 THR N N 117.65 0.05 1 747 235 MET H H 7.56 0.02 1 748 235 MET C C 177.14 0.02 1 749 235 MET CA C 60.06 0.02 1 750 235 MET N N 120.44 0.05 1 751 236 ALA H H 8.20 0.02 1 752 236 ALA C C 178.69 0.02 1 753 236 ALA CA C 55.12 0.02 1 754 236 ALA N N 122.15 0.05 1 755 237 GLU H H 9.09 0.02 1 756 237 GLU C C 178.72 0.02 1 757 237 GLU CA C 59.23 0.02 1 758 237 GLU N N 118.28 0.05 1 759 238 TYR H H 7.15 0.02 1 760 238 TYR C C 177.24 0.02 1 761 238 TYR CA C 62.00 0.02 1 762 238 TYR N N 117.29 0.05 1 763 239 PHE H H 7.03 0.02 1 764 239 PHE C C 176.72 0.02 1 765 239 PHE CA C 59.03 0.02 1 766 239 PHE N N 116.64 0.05 1 767 240 ARG H H 7.60 0.02 1 768 240 ARG C C 177.48 0.02 1 769 240 ARG CA C 59.18 0.02 1 770 240 ARG N N 119.83 0.05 1 771 241 ASP H H 8.71 0.02 1 772 241 ASP C C 176.50 0.02 1 773 241 ASP CA C 57.20 0.02 1 774 241 ASP N N 114.79 0.05 1 775 242 GLU H H 8.36 0.02 1 776 242 GLU C C 177.69 0.02 1 777 242 GLU CA C 56.45 0.02 1 778 242 GLU N N 115.99 0.05 1 779 243 GLN H H 6.40 0.02 1 780 243 GLN C C 177.89 0.02 1 781 243 GLN CA C 54.57 0.02 1 782 243 GLN N N 111.73 0.05 1 783 244 GLY H H 7.21 0.02 1 784 244 GLY C C 176.12 0.02 1 785 244 GLY CA C 47.39 0.02 1 786 244 GLY N N 110.23 0.05 1 787 245 GLN H H 7.81 0.02 1 788 245 GLN C C 174.42 0.02 1 789 245 GLN CA C 55.23 0.02 1 790 245 GLN N N 117.11 0.05 1 791 246 ASP H H 8.17 0.02 1 792 246 ASP C C 175.28 0.02 1 793 246 ASP CA C 54.89 0.02 1 794 246 ASP N N 119.08 0.05 1 795 247 VAL H H 8.30 0.02 1 796 247 VAL C C 173.02 0.02 1 797 247 VAL CA C 59.43 0.02 1 798 247 VAL N N 118.64 0.05 1 799 248 LEU H H 8.37 0.02 1 800 248 LEU C C 177.23 0.02 1 801 248 LEU CA C 53.14 0.02 1 802 248 LEU N N 124.79 0.05 1 803 249 LEU H H 8.47 0.02 1 804 249 LEU C C 174.30 0.02 1 805 249 LEU CA C 52.22 0.02 1 806 249 LEU N N 122.51 0.05 1 807 250 PHE H H 9.70 0.02 1 811 251 ILE H H 8.55 0.02 1 815 255 PHE H H 7.75 0.02 1 816 255 PHE C C 176.69 0.02 1 817 255 PHE CA C 55.77 0.02 1 818 255 PHE N N 121.68 0.05 1 819 256 ARG H H 7.41 0.02 1 820 256 ARG C C 173.17 0.02 1 821 256 ARG CA C 53.54 0.02 1 822 256 ARG N N 117.87 0.05 1 823 257 PHE H H 9.24 0.02 1 827 258 THR H H 8.47 0.02 1 828 258 THR C C 180.03 0.02 1 829 258 THR CA C 68.12 0.02 1 830 258 THR N N 123.57 0.05 1 831 260 ALA H H 7.54 0.02 1 832 260 ALA C C 177.74 0.02 1 833 260 ALA CA C 54.99 0.02 1 834 260 ALA N N 121.62 0.05 1 835 261 GLY H H 8.04 0.02 1 836 261 GLY C C 178.97 0.02 1 837 261 GLY CA C 47.22 0.02 1 838 261 GLY N N 103.69 0.05 1 839 262 SER H H 8.50 0.02 1 840 262 SER C C 176.28 0.02 1 841 262 SER CA C 61.65 0.02 1 842 262 SER N N 119.25 0.05 1 843 263 GLU H H 8.28 0.02 1 844 263 GLU C C 176.58 0.02 1 845 263 GLU CA C 59.48 0.02 1 846 263 GLU N N 123.97 0.05 1 847 264 VAL H H 8.16 0.02 1 848 264 VAL C C 179.13 0.02 1 849 264 VAL CA C 67.09 0.02 1 850 264 VAL N N 118.37 0.05 1 851 265 SER H H 8.28 0.02 1 852 265 SER C C 176.96 0.02 1 853 265 SER CA C 62.07 0.02 1 854 265 SER N N 114.12 0.05 1 855 266 ALA H H 8.09 0.02 1 856 266 ALA C C 176.95 0.02 1 857 266 ALA CA C 54.60 0.02 1 858 266 ALA N N 122.89 0.05 1 859 267 LEU H H 8.01 0.02 1 860 267 LEU C C 180.25 0.02 1 861 267 LEU CA C 57.23 0.02 1 862 267 LEU N N 119.14 0.05 1 863 268 LEU H H 8.25 0.02 1 867 269 GLY H H 7.91 0.02 1 871 274 ALA H H 8.13 0.02 1 872 274 ALA C C 175.83 0.02 1 873 274 ALA CA C 52.52 0.02 1 874 274 ALA N N 123.00 0.05 1 875 275 VAL H H 7.95 0.02 1 876 275 VAL C C 177.18 0.02 1 877 275 VAL CA C 60.88 0.02 1 878 275 VAL N N 118.37 0.05 1 879 276 GLY H H 8.26 0.02 1 880 276 GLY C C 176.22 0.02 1 881 276 GLY CA C 45.01 0.02 1 882 276 GLY N N 111.42 0.05 1 883 277 TYR H H 8.01 0.02 1 887 278 GLN H H 7.95 0.02 1 888 278 GLN C C 174.60 0.02 1 889 278 GLN CA C 53.17 0.02 1 890 278 GLN N N 124.29 0.05 1 891 280 THR H H 7.86 0.02 1 892 280 THR C C 175.81 0.02 1 893 280 THR CA C 61.95 0.02 1 894 280 THR N N 116.64 0.05 1 895 281 LEU H H 8.02 0.02 1 896 281 LEU C C 172.31 0.02 1 897 281 LEU CA C 51.43 0.02 1 898 281 LEU N N 123.13 0.05 1 899 282 ALA H H 8.44 0.02 1 900 282 ALA C C 175.86 0.02 1 901 282 ALA CA C 60.97 0.02 1 902 282 ALA N N 124.43 0.05 1 903 283 THR H H 8.38 0.02 1 904 283 THR C C 173.22 0.02 1 905 283 THR CA C 62.03 0.02 1 906 283 THR N N 125.37 0.05 1 907 284 GLU H H 7.96 0.02 1 908 284 GLU C C 173.40 0.02 1 909 284 GLU CA C 52.31 0.02 1 910 284 GLU N N 123.81 0.05 1 911 285 MET H H 8.55 0.02 1 912 285 MET C C 178.91 0.02 1 913 285 MET CA C 56.97 0.02 1 914 285 MET N N 118.87 0.05 1 915 286 GLY H H 8.20 0.02 1 916 286 GLY C C 178.00 0.02 1 917 286 GLY CA C 46.70 0.02 1 918 286 GLY N N 107.86 0.05 1 919 287 GLN H H 8.06 0.02 1 920 287 GLN C C 175.42 0.02 1 921 287 GLN CA C 57.12 0.02 1 922 287 GLN N N 120.28 0.05 1 923 288 LEU H H 8.43 0.02 1 924 288 LEU C C 173.86 0.02 1 925 288 LEU CA C 56.67 0.02 1 926 288 LEU N N 118.87 0.05 1 927 289 GLN H H 7.51 0.02 1 928 289 GLN C C 176.74 0.02 1 929 289 GLN CA C 55.54 0.02 1 930 289 GLN N N 116.55 0.05 1 931 290 GLU H H 7.30 0.02 1 932 290 GLU C C 176.18 0.02 1 933 290 GLU CA C 54.63 0.02 1 934 290 GLU N N 119.95 0.05 1 935 291 ARG H H 7.99 0.02 1 939 292 ILE H H 7.39 0.02 1 943 295 THR H H 8.77 0.02 1 944 295 THR C C 173.90 0.02 1 945 295 THR CA C 59.74 0.02 1 946 295 THR N N 116.31 0.05 1 947 296 ALA H H 8.33 0.02 1 948 296 ALA C C 173.76 0.02 1 949 296 ALA CA C 53.96 0.02 1 950 296 ALA N N 120.40 0.05 1 951 297 LYS H H 7.73 0.02 1 952 297 LYS C C 177.81 0.02 1 953 297 LYS CA C 55.83 0.02 1 954 297 LYS N N 115.13 0.05 1 955 298 GLY H H 7.41 0.02 1 956 298 GLY C C 175.52 0.02 1 957 298 GLY CA C 44.93 0.02 1 958 298 GLY N N 105.74 0.05 1 959 299 SER H H 8.78 0.02 1 963 300 ILE H H 7.94 0.02 1 967 311 ASP H H 8.19 0.02 1 968 311 ASP C C 175.20 0.02 1 969 311 ASP CA C 54.19 0.02 1 970 311 ASP N N 117.35 0.05 1 971 312 ASP H H 8.06 0.02 1 972 312 ASP C C 175.23 0.02 1 973 312 ASP CA C 54.15 0.02 1 974 312 ASP N N 118.41 0.05 1 975 313 TYR H H 8.07 0.02 1 976 313 TYR C C 175.42 0.02 1 977 313 TYR CA C 57.89 0.02 1 978 313 TYR N N 120.31 0.05 1 979 314 THR H H 7.96 0.02 1 983 315 ASP H H 8.96 0.02 1 987 323 SER H H 9.33 0.02 1 988 323 SER C C 177.15 0.02 1 989 323 SER CA C 57.11 0.02 1 990 323 SER N N 117.98 0.05 1 991 324 HIS H H 8.44 0.02 1 992 324 HIS C C 173.17 0.02 1 993 324 HIS CA C 56.59 0.02 1 994 324 HIS N N 114.77 0.05 1 995 325 LEU H H 7.44 0.02 1 996 325 LEU C C 174.50 0.02 1 997 325 LEU CA C 54.25 0.02 1 998 325 LEU N N 120.71 0.05 1 999 326 ASP H H 9.69 0.02 1 1000 326 ASP C C 176.86 0.02 1 1001 326 ASP CA C 56.66 0.02 1 1002 326 ASP N N 121.32 0.05 1 1003 327 ALA H H 7.77 0.02 1 1004 327 ALA C C 175.14 0.02 1 1005 327 ALA CA C 51.72 0.02 1 1006 327 ALA N N 117.82 0.05 1 1007 328 THR H H 9.50 0.02 1 1008 328 THR C C 175.39 0.02 1 1009 328 THR CA C 60.00 0.02 1 1010 328 THR N N 111.63 0.05 1 1011 329 THR H H 9.51 0.02 1 1012 329 THR C C 173.80 0.02 1 1013 329 THR CA C 61.91 0.02 1 1014 329 THR N N 121.48 0.05 1 1015 330 ASN H H 8.71 0.02 1 1016 330 ASN C C 172.26 0.02 1 1017 330 ASN CA C 53.24 0.02 1 1018 330 ASN N N 128.21 0.05 1 1019 331 LEU H H 8.73 0.02 1 1020 331 LEU C C 173.12 0.02 1 1021 331 LEU CA C 54.13 0.02 1 1022 331 LEU N N 124.19 0.05 1 1023 332 GLU H H 9.03 0.02 1 1024 332 GLU C C 177.14 0.02 1 1025 332 GLU CA C 54.20 0.02 1 1026 332 GLU N N 123.78 0.05 1 1027 333 ARG H H 8.98 0.02 1 1028 333 ARG C C 175.36 0.02 1 1029 333 ARG CA C 59.14 0.02 1 1030 333 ARG N N 130.33 0.05 1 1031 334 LYS H H 9.79 0.02 1 1032 334 LYS C C 177.17 0.02 1 1033 334 LYS CA C 59.25 0.02 1 1034 334 LYS N N 118.27 0.05 1 1035 335 LEU H H 7.04 0.02 1 1036 335 LEU C C 178.89 0.02 1 1037 335 LEU CA C 56.99 0.02 1 1038 335 LEU N N 116.82 0.05 1 1039 336 ALA H H 7.05 0.02 1 1040 336 ALA C C 178.18 0.02 1 1041 336 ALA CA C 54.79 0.02 1 1042 336 ALA N N 123.86 0.05 1 1043 337 GLU H H 8.42 0.02 1 1044 337 GLU C C 181.42 0.02 1 1045 337 GLU CA C 58.56 0.02 1 1046 337 GLU N N 117.54 0.05 1 1047 338 MET H H 7.29 0.02 1 1048 338 MET C C 177.18 0.02 1 1049 338 MET CA C 55.42 0.02 1 1050 338 MET N N 116.21 0.05 1 1051 339 GLY H H 7.93 0.02 1 1052 339 GLY C C 175.60 0.02 1 1053 339 GLY CA C 45.21 0.02 1 1054 339 GLY N N 107.55 0.05 1 1055 340 ILE H H 7.80 0.02 1 1059 341 TYR H H 6.09 0.02 1 1060 341 TYR C C 170.60 0.02 1 1061 341 TYR CA C 53.24 0.02 1 1062 341 TYR N N 121.96 0.05 1 1063 343 ALA H H 9.82 0.02 1 1064 343 ALA C C 176.25 0.02 1 1065 343 ALA CA C 51.62 0.02 1 1066 343 ALA N N 131.44 0.05 1 1067 344 VAL H H 7.47 0.02 1 1071 345 ASP H H 9.11 0.02 1 1072 345 ASP C C 173.67 0.02 1 1073 345 ASP CA C 51.37 0.02 1 1074 345 ASP N N 126.76 0.05 1 1075 347 LEU H H 8.17 0.02 1 1076 347 LEU C C 174.51 0.02 1 1077 347 LEU CA C 54.51 0.02 1 1078 347 LEU N N 116.08 0.05 1 1079 348 ALA H H 7.73 0.02 1 1080 348 ALA C C 175.95 0.02 1 1081 348 ALA CA C 51.70 0.02 1 1082 348 ALA N N 120.89 0.05 1 1083 349 SER H H 6.89 0.02 1 1084 349 SER C C 177.87 0.02 1 1085 349 SER CA C 60.02 0.02 1 1086 349 SER N N 113.87 0.05 1 1087 350 THR H H 8.33 0.02 1 1088 350 THR C C 172.54 0.02 1 1089 350 THR CA C 60.08 0.02 1 1090 350 THR N N 114.90 0.05 1 1091 351 SER H H 8.69 0.02 1 1092 351 SER C C 173.18 0.02 1 1093 351 SER CA C 56.96 0.02 1 1094 351 SER N N 112.73 0.05 1 1095 352 ARG H H 9.01 0.02 1 1096 352 ARG C C 175.89 0.02 1 1097 352 ARG CA C 57.22 0.02 1 1098 352 ARG N N 128.76 0.05 1 1099 353 ALA H H 8.53 0.02 1 1100 353 ALA C C 175.72 0.02 1 1101 353 ALA CA C 51.50 0.02 1 1102 353 ALA N N 119.49 0.05 1 1103 354 LEU H H 7.00 0.02 1 1107 355 ALA H H 8.20 0.02 1 1108 355 ALA C C 172.87 0.02 1 1109 355 ALA CA C 49.62 0.02 1 1110 355 ALA N N 129.84 0.05 1 1111 357 GLU H H 9.71 0.02 1 1112 357 GLU C C 177.53 0.02 1 1113 357 GLU CA C 58.53 0.02 1 1114 357 GLU N N 117.40 0.05 1 1115 358 ILE H H 7.57 0.02 1 1116 358 ILE C C 175.68 0.02 1 1117 358 ILE CA C 62.77 0.02 1 1118 358 ILE N N 118.17 0.05 1 1119 359 VAL H H 7.54 0.02 1 1120 359 VAL C C 176.86 0.02 1 1121 359 VAL CA C 61.65 0.02 1 1122 359 VAL N N 107.68 0.05 1 1123 360 GLY H H 7.36 0.02 1 1124 360 GLY C C 176.63 0.02 1 1125 360 GLY CA C 44.59 0.02 1 1126 360 GLY N N 110.85 0.05 1 1127 361 GLU H H 8.61 0.02 1 1128 361 GLU C C 173.56 0.02 1 1129 361 GLU CA C 60.21 0.02 1 1130 361 GLU N N 120.17 0.05 1 1131 362 GLU H H 8.48 0.02 1 1132 362 GLU C C 177.62 0.02 1 1133 362 GLU CA C 60.12 0.02 1 1134 362 GLU N N 119.42 0.05 1 1135 363 HIS H H 8.83 0.02 1 1136 363 HIS C C 177.41 0.02 1 1137 363 HIS CA C 57.58 0.02 1 1138 363 HIS N N 118.68 0.05 1 1139 364 TYR H H 8.11 0.02 1 1140 364 TYR C C 177.73 0.02 1 1141 364 TYR CA C 62.87 0.02 1 1142 364 TYR N N 117.49 0.05 1 1143 365 GLN H H 8.72 0.02 1 1144 365 GLN C C 175.60 0.02 1 1145 365 GLN CA C 58.64 0.02 1 1146 365 GLN N N 115.52 0.05 1 1147 366 VAL H H 8.49 0.02 1 1148 366 VAL C C 179.41 0.02 1 1149 366 VAL CA C 66.77 0.02 1 1150 366 VAL N N 120.79 0.05 1 1151 367 ALA H H 8.89 0.02 1 1152 367 ALA C C 177.22 0.02 1 1153 367 ALA CA C 55.52 0.02 1 1154 367 ALA N N 121.34 0.05 1 1155 368 ARG H H 8.24 0.02 1 1156 368 ARG C C 179.40 0.02 1 1157 368 ARG CA C 57.47 0.02 1 1158 368 ARG N N 114.90 0.05 1 1159 369 LYS H H 8.18 0.02 1 1160 369 LYS C C 179.14 0.02 1 1161 369 LYS CA C 58.95 0.02 1 1162 369 LYS N N 120.86 0.05 1 1163 370 VAL H H 8.98 0.02 1 1164 370 VAL C C 180.69 0.02 1 1165 370 VAL CA C 68.05 0.02 1 1166 370 VAL N N 124.67 0.05 1 1167 371 GLN H H 8.38 0.02 1 1168 371 GLN C C 177.08 0.02 1 1169 371 GLN CA C 60.04 0.02 1 1170 371 GLN N N 118.47 0.05 1 1171 372 GLN H H 8.73 0.02 1 1172 372 GLN C C 177.75 0.02 1 1173 372 GLN CA C 58.90 0.02 1 1174 372 GLN N N 117.97 0.05 1 1175 373 THR H H 8.25 0.02 1 1176 373 THR C C 179.07 0.02 1 1177 373 THR CA C 67.35 0.02 1 1178 373 THR N N 118.02 0.05 1 1179 374 LEU H H 8.36 0.02 1 1180 374 LEU C C 175.40 0.02 1 1181 374 LEU CA C 57.77 0.02 1 1182 374 LEU N N 120.48 0.05 1 1183 375 GLN H H 8.97 0.02 1 1184 375 GLN C C 179.57 0.02 1 1185 375 GLN CA C 58.62 0.02 1 1186 375 GLN N N 122.29 0.05 1 1187 376 ARG H H 8.11 0.02 1 1188 376 ARG C C 177.70 0.02 1 1189 376 ARG CA C 57.26 0.02 1 1190 376 ARG N N 120.04 0.05 1 1191 377 TYR H H 8.33 0.02 1 1192 377 TYR C C 177.97 0.02 1 1193 377 TYR CA C 59.52 0.02 1 1194 377 TYR N N 118.53 0.05 1 1195 378 LYS H H 7.89 0.02 1 1196 378 LYS C C 176.40 0.02 1 1197 378 LYS CA C 59.46 0.02 1 1198 378 LYS N N 119.90 0.05 1 1199 379 GLU H H 7.69 0.02 1 1200 379 GLU C C 179.03 0.02 1 1201 379 GLU CA C 58.52 0.02 1 1202 379 GLU N N 118.50 0.05 1 1203 380 LEU H H 8.32 0.02 1 1204 380 LEU C C 179.37 0.02 1 1205 380 LEU CA C 56.24 0.02 1 1206 380 LEU N N 118.76 0.05 1 1207 381 GLN H H 8.07 0.02 1 1208 381 GLN C C 178.46 0.02 1 1209 381 GLN CA C 59.68 0.02 1 1210 381 GLN N N 118.76 0.05 1 1211 382 ASP H H 7.65 0.02 1 1212 382 ASP C C 178.10 0.02 1 1213 382 ASP CA C 56.98 0.02 1 1214 382 ASP N N 118.47 0.05 1 1215 383 ILE H H 7.38 0.02 1 1216 383 ILE C C 177.60 0.02 1 1217 383 ILE CA C 63.87 0.02 1 1218 383 ILE N N 120.05 0.05 1 1219 384 ILE H H 8.66 0.02 1 1220 384 ILE C C 178.29 0.02 1 1221 384 ILE CA C 64.82 0.02 1 1222 384 ILE N N 121.05 0.05 1 1223 385 ALA H H 7.60 0.02 1 1224 385 ALA C C 177.88 0.02 1 1225 385 ALA CA C 54.43 0.02 1 1226 385 ALA N N 119.50 0.05 1 1227 386 ILE H H 7.36 0.02 1 1228 386 ILE C C 177.93 0.02 1 1229 386 ILE CA C 62.06 0.02 1 1230 386 ILE N N 114.23 0.05 1 1231 387 LEU H H 8.51 0.02 1 1232 387 LEU C C 176.73 0.02 1 1233 387 LEU CA C 55.34 0.02 1 1234 387 LEU N N 119.35 0.05 1 1235 388 GLY H H 7.96 0.02 1 1236 388 GLY C C 177.96 0.02 1 1237 388 GLY CA C 44.30 0.02 1 1238 388 GLY N N 108.02 0.05 1 1239 389 MET H H 8.42 0.02 1 1240 389 MET C C 173.14 0.02 1 1241 389 MET CA C 56.34 0.02 1 1242 389 MET N N 116.41 0.05 1 1243 390 ASP H H 8.33 0.02 1 1244 390 ASP C C 177.62 0.02 1 1245 390 ASP CA C 56.59 0.02 1 1246 390 ASP N N 115.75 0.05 1 1247 391 GLU H H 8.31 0.02 1 1248 391 GLU C C 173.19 0.02 1 1249 391 GLU CA C 56.26 0.02 1 1250 391 GLU N N 119.80 0.05 1 1251 392 LEU H H 8.17 0.02 1 1255 393 SER H H 9.37 0.02 1 1256 393 SER C C 176.89 0.02 1 1257 393 SER CA C 57.38 0.02 1 1258 393 SER N N 119.17 0.05 1 1259 395 GLU H H 8.65 0.02 1 1260 395 GLU C C 178.84 0.02 1 1261 395 GLU CA C 60.18 0.02 1 1262 395 GLU N N 119.37 0.05 1 1263 396 ASP H H 7.88 0.02 1 1264 396 ASP C C 178.64 0.02 1 1265 396 ASP CA C 57.19 0.02 1 1266 396 ASP N N 121.26 0.05 1 1267 397 LYS H H 8.65 0.02 1 1268 397 LYS C C 178.10 0.02 1 1269 397 LYS CA C 60.44 0.02 1 1270 397 LYS N N 119.91 0.05 1 1271 398 LEU H H 7.58 0.02 1 1272 398 LEU C C 179.52 0.02 1 1273 398 LEU CA C 57.21 0.02 1 1274 398 LEU N N 120.82 0.05 1 1275 399 VAL H H 7.83 0.02 1 1276 399 VAL C C 178.68 0.02 1 1277 399 VAL CA C 67.01 0.02 1 1278 399 VAL N N 120.75 0.05 1 1279 400 VAL H H 8.04 0.02 1 1280 400 VAL C C 177.58 0.02 1 1281 400 VAL CA C 67.02 0.02 1 1282 400 VAL N N 118.75 0.05 1 1283 401 HIS H H 7.90 0.02 1 1284 401 HIS C C 176.23 0.02 1 1285 401 HIS CA C 60.32 0.02 1 1286 401 HIS N N 118.04 0.05 1 1287 402 ARG H H 8.61 0.02 1 1288 402 ARG C C 179.38 0.02 1 1289 402 ARG CA C 59.59 0.02 1 1290 402 ARG N N 116.43 0.05 1 1291 403 ALA H H 9.54 0.02 1 1292 403 ALA C C 177.66 0.02 1 1293 403 ALA CA C 55.18 0.02 1 1294 403 ALA N N 122.61 0.05 1 1295 404 ARG H H 7.59 0.02 1 1296 404 ARG C C 178.80 0.02 1 1297 404 ARG CA C 59.24 0.02 1 1298 404 ARG N N 114.23 0.05 1 1299 405 ARG H H 6.14 0.02 1 1300 405 ARG C C 177.43 0.02 1 1301 405 ARG CA C 59.54 0.02 1 1302 405 ARG N N 116.15 0.05 1 1303 406 ILE H H 8.48 0.02 1 1304 406 ILE C C 176.83 0.02 1 1305 406 ILE CA C 65.36 0.02 1 1306 406 ILE N N 119.90 0.05 1 1307 407 GLN H H 8.72 0.02 1 1308 407 GLN C C 176.42 0.02 1 1309 407 GLN CA C 58.29 0.02 1 1310 407 GLN N N 117.21 0.05 1 1311 408 PHE H H 7.53 0.02 1 1312 408 PHE C C 178.49 0.02 1 1313 408 PHE CA C 58.26 0.02 1 1314 408 PHE N N 114.41 0.05 1 1315 409 PHE H H 9.21 0.02 1 1316 409 PHE C C 178.61 0.02 1 1317 409 PHE CA C 59.52 0.02 1 1318 409 PHE N N 126.52 0.05 1 1319 410 LEU H H 7.69 0.02 1 1320 410 LEU C C 174.69 0.02 1 1321 410 LEU CA C 56.59 0.02 1 1322 410 LEU N N 115.58 0.05 1 1323 411 SER H H 8.32 0.02 1 1324 411 SER C C 179.98 0.02 1 1325 411 SER CA C 59.45 0.02 1 1326 411 SER N N 119.12 0.05 1 1327 412 GLN H H 9.42 0.02 1 1328 412 GLN C C 172.58 0.02 1 1329 412 GLN CA C 56.68 0.02 1 1330 412 GLN N N 120.47 0.05 1 1331 413 ASN H H 9.66 0.02 1 1335 414 PHE H H 8.26 0.02 1 1336 414 PHE C C 173.80 0.02 1 1337 414 PHE CA C 52.57 0.02 1 1338 414 PHE N N 124.22 0.05 1 1339 416 VAL H H 9.81 0.02 1 1340 416 VAL C C 180.31 0.02 1 1341 416 VAL CA C 63.85 0.02 1 1342 416 VAL N N 113.59 0.05 1 1343 417 ALA H H 7.04 0.02 1 1344 417 ALA C C 175.44 0.02 1 1345 417 ALA CA C 51.42 0.02 1 1346 417 ALA N N 120.16 0.05 1 1347 418 GLU H H 7.54 0.02 1 1348 418 GLU C C 177.59 0.02 1 1349 418 GLU CA C 59.55 0.02 1 1350 418 GLU N N 123.68 0.05 1 1351 419 GLN H H 8.40 0.02 1 1352 419 GLN C C 178.60 0.02 1 1353 419 GLN CA C 57.65 0.02 1 1354 419 GLN N N 115.80 0.05 1 1355 420 PHE H H 7.64 0.02 1 1356 420 PHE C C 175.48 0.02 1 1357 420 PHE CA C 58.00 0.02 1 1358 420 PHE N N 116.80 0.05 1 1359 421 THR H H 8.34 0.02 1 1360 421 THR C C 177.09 0.02 1 1361 421 THR CA C 61.97 0.02 1 1362 421 THR N N 108.97 0.05 1 1363 422 GLY H H 8.70 0.02 1 1367 423 GLN H H 8.08 0.02 1 1368 423 GLN C C 172.97 0.02 1 1369 423 GLN CA C 51.89 0.02 1 1370 423 GLN N N 121.27 0.05 1 1371 425 GLY H H 8.84 0.02 1 1372 425 GLY C C 176.89 0.02 1 1373 425 GLY CA C 43.87 0.02 1 1374 425 GLY N N 107.45 0.05 1 1375 426 SER H H 7.66 0.02 1 1376 426 SER C C 171.51 0.02 1 1377 426 SER CA C 56.94 0.02 1 1378 426 SER N N 109.96 0.05 1 1379 427 TYR H H 8.69 0.02 1 1383 428 VAL H H 8.70 0.02 1 1384 428 VAL C C 174.68 0.02 1 1385 428 VAL CA C 59.09 0.02 1 1386 428 VAL N N 132.42 0.05 1 1387 430 VAL H H 9.45 0.02 1 1388 430 VAL C C 178.31 0.02 1 1389 430 VAL CA C 66.06 0.02 1 1390 430 VAL N N 126.82 0.05 1 1391 431 LYS H H 8.73 0.02 1 1392 431 LYS C C 176.53 0.02 1 1393 431 LYS CA C 59.64 0.02 1 1394 431 LYS N N 118.75 0.05 1 1395 432 GLU H H 7.59 0.02 1 1396 432 GLU C C 180.12 0.02 1 1397 432 GLU CA C 57.63 0.02 1 1398 432 GLU N N 117.54 0.05 1 1399 433 THR H H 8.57 0.02 1 1400 433 THR C C 179.62 0.02 1 1401 433 THR CA C 68.09 0.02 1 1402 433 THR N N 126.18 0.05 1 1403 434 VAL H H 8.59 0.02 1 1404 434 VAL C C 175.72 0.02 1 1405 434 VAL CA C 67.54 0.02 1 1406 434 VAL N N 120.07 0.05 1 1407 435 ARG H H 7.49 0.02 1 1408 435 ARG C C 176.70 0.02 1 1409 435 ARG CA C 59.83 0.02 1 1410 435 ARG N N 117.50 0.05 1 1411 436 GLY H H 8.58 0.02 1 1412 436 GLY C C 178.01 0.02 1 1413 436 GLY CA C 47.60 0.02 1 1414 436 GLY N N 104.30 0.05 1 1415 437 PHE H H 8.21 0.02 1 1416 437 PHE C C 174.56 0.02 1 1417 437 PHE CA C 64.22 0.02 1 1418 437 PHE N N 116.33 0.05 1 1419 438 LYS H H 8.76 0.02 1 1420 438 LYS C C 177.18 0.02 1 1421 438 LYS CA C 60.57 0.02 1 1422 438 LYS N N 121.75 0.05 1 1423 439 GLU H H 8.41 0.02 1 1424 439 GLU C C 178.29 0.02 1 1425 439 GLU CA C 59.54 0.02 1 1426 439 GLU N N 116.34 0.05 1 1427 440 ILE H H 8.01 0.02 1 1428 440 ILE C C 179.50 0.02 1 1429 440 ILE CA C 65.48 0.02 1 1430 440 ILE N N 118.15 0.05 1 1431 441 LEU H H 8.54 0.02 1 1432 441 LEU C C 180.78 0.02 1 1433 441 LEU CA C 57.99 0.02 1 1434 441 LEU N N 120.63 0.05 1 1435 442 GLU H H 7.82 0.02 1 1436 442 GLU C C 177.91 0.02 1 1437 442 GLU CA C 56.46 0.02 1 1438 442 GLU N N 115.67 0.05 1 1439 443 GLY H H 7.97 0.02 1 1440 443 GLY C C 176.00 0.02 1 1441 443 GLY CA C 44.82 0.02 1 1442 443 GLY N N 106.95 0.05 1 1443 444 LYS H H 7.69 0.02 1 1444 444 LYS C C 175.69 0.02 1 1445 444 LYS CA C 58.29 0.02 1 1446 444 LYS N N 118.89 0.05 1 1447 445 TYR H H 8.29 0.02 1 1451 446 ASP H H 7.34 0.02 1 1452 446 ASP C C 176.58 0.02 1 1453 446 ASP CA C 56.95 0.02 1 1454 446 ASP N N 120.01 0.05 1 1455 448 LEU H H 7.30 0.02 1 1456 448 LEU C C 174.63 0.02 1 1457 448 LEU CA C 51.97 0.02 1 1458 448 LEU N N 121.82 0.05 1 1459 450 GLU H H 8.83 0.02 1 1460 450 GLU C C 177.29 0.02 1 1461 450 GLU CA C 59.99 0.02 1 1462 450 GLU N N 120.71 0.05 1 1463 451 ASP H H 8.68 0.02 1 1464 451 ASP C C 177.55 0.02 1 1465 451 ASP CA C 56.96 0.02 1 1466 451 ASP N N 114.83 0.05 1 1467 452 ALA H H 7.77 0.02 1 1468 452 ALA C C 178.13 0.02 1 1469 452 ALA CA C 53.86 0.02 1 1470 452 ALA N N 120.03 0.05 1 1471 453 PHE H H 7.58 0.02 1 1472 453 PHE C C 173.93 0.02 1 1473 453 PHE CA C 57.98 0.02 1 1474 453 PHE N N 109.22 0.05 1 1475 454 ARG H H 6.94 0.02 1 1476 454 ARG C C 174.70 0.02 1 1477 454 ARG CA C 56.88 0.02 1 1478 454 ARG N N 116.32 0.05 1 1479 455 LEU H H 8.44 0.02 1 1480 455 LEU C C 173.86 0.02 1 1481 455 LEU CA C 55.54 0.02 1 1482 455 LEU N N 119.37 0.02 1 1483 456 VAL H H 9.09 0.02 1 1484 456 VAL C C 173.42 0.02 1 1485 456 VAL CA C 59.45 0.02 1 1486 456 VAL N N 113.90 0.05 1 1487 457 GLY H H 8.05 0.02 1 1488 457 GLY C C 175.47 0.02 1 1489 457 GLY CA C 45.86 0.02 1 1490 457 GLY N N 107.11 0.05 1 1491 458 ARG H H 8.10 0.02 1 1492 458 ARG C C 173.39 0.02 1 1493 458 ARG CA C 55.67 0.02 1 1494 458 ARG N N 124.49 0.05 1 1495 459 ILE H H 9.09 0.02 1 1496 459 ILE C C 177.85 0.02 1 1497 459 ILE CA C 60.91 0.02 1 1498 459 ILE N N 121.48 0.05 1 1499 460 GLU H H 9.10 0.02 1 1500 460 GLU C C 176.34 0.02 1 1501 460 GLU CA C 60.91 0.02 1 1502 460 GLU N N 121.94 0.05 1 1503 461 GLU H H 8.02 0.02 1 1504 461 GLU C C 176.70 0.02 1 1505 461 GLU CA C 58.42 0.02 1 1506 461 GLU N N 117.44 0.05 1 1507 462 VAL H H 7.55 0.02 1 1508 462 VAL C C 179.27 0.02 1 1509 462 VAL CA C 64.26 0.02 1 1510 462 VAL N N 121.70 0.05 1 1511 463 VAL H H 6.53 0.02 1 1512 463 VAL C C 177.49 0.02 1 1513 463 VAL CA C 66.24 0.02 1 1514 463 VAL N N 118.56 0.05 1 1515 464 GLU H H 7.45 0.02 1 1516 464 GLU C C 177.87 0.02 1 1517 464 GLU CA C 58.89 0.02 1 1518 464 GLU N N 116.90 0.05 1 1519 465 LYS H H 8.07 0.02 1 1520 465 LYS C C 178.96 0.02 1 1521 465 LYS CA C 59.54 0.02 1 1522 465 LYS N N 122.37 0.05 1 1523 466 ALA H H 8.45 0.02 1 1524 466 ALA C C 178.44 0.02 1 1525 466 ALA CA C 54.61 0.02 1 1526 466 ALA N N 120.64 0.05 1 1527 467 LYS H H 8.23 0.02 1 1528 467 LYS C C 179.39 0.02 1 1529 467 LYS CA C 59.44 0.02 1 1530 467 LYS N N 119.27 0.05 1 1531 468 ALA H H 7.82 0.02 1 1532 468 ALA C C 180.46 0.02 1 1533 468 ALA CA C 54.18 0.02 1 1534 468 ALA N N 122.87 0.05 1 1535 469 MET H H 7.78 0.02 1 1536 469 MET C C 178.83 0.02 1 1537 469 MET CA C 56.41 0.02 1 1538 469 MET N N 116.61 0.05 1 1539 470 GLY H H 7.96 0.02 1 1540 470 GLY C C 177.10 0.02 1 1541 470 GLY CA C 45.34 0.02 1 1542 470 GLY N N 106.94 0.05 1 1543 471 VAL H H 7.70 0.02 1 1544 471 VAL C C 173.93 0.02 1 1545 471 VAL CA C 61.65 0.02 1 1546 471 VAL N N 120.06 0.05 1 1547 472 GLU H H 8.42 0.02 1 1551 473 VAL H H 7.64 0.02 1 stop_ save_