data_19272 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, 13C resonance assignments of Yersinia phosphatase YopH ; _BMRB_accession_number 19272 _BMRB_flat_file_name bmr19272.str _Entry_type original _Submission_date 2013-05-28 _Accession_date 2013-05-28 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Whittier Sean K. . 2 Loria J. P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 271 "13C chemical shifts" 760 "15N chemical shifts" 271 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-05-29 original author . stop_ _Original_release_date 2013-05-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N, 13C resonance assignments of Yersinia phosphatase YopH' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Whittier Sean K. . 2 Loria J. P. . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name YopH _Enzyme_commission_number 3.1.3.48 loop_ _Mol_system_component_name _Mol_label YopH $YopH stop_ _System_molecular_weight 33513 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'Protein tyrosine phosphatase' stop_ _Database_query_date . _Details 'Monomer of YopH phosphatase domain' save_ ######################## # Monomeric polymers # ######################## save_YopH _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common YopH _Molecular_mass 33513 _Mol_thiol_state 'all free' loop_ _Biological_function 'Protein tyrosine phosphatase' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 306 _Mol_residue_sequence ; MRERPHTSGHHGAGEARATA PSTVSPYGPEARAELSSRLT TLRNTLAPATNDPRYLQACG GEKLNRFRDIQCRRQTAVRA DLNANYIQVGNTRTIACQYP LQSQLESHFRMLAENRTPVL AVLASSSEIANQRFGMPDYF RQSGTYGSITVESKMTQQVG LGDGIMADMYTLTIREAGQK TISVPVVHVGNWPDQTAVSS EVTKALASLVDQTAETKRNM YESKGSSAVADDSKLRPVIH CRAGVGRTAQLIGAMCMNDS RNSQLSVEDMVSQMRVQRNG IMVQKDEQLDVLIKLAEGQG RPLLNS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 163 MET 2 164 ARG 3 165 GLU 4 166 ARG 5 167 PRO 6 168 HIS 7 169 THR 8 170 SER 9 171 GLY 10 172 HIS 11 173 HIS 12 174 GLY 13 175 ALA 14 176 GLY 15 177 GLU 16 178 ALA 17 179 ARG 18 180 ALA 19 181 THR 20 182 ALA 21 183 PRO 22 184 SER 23 185 THR 24 186 VAL 25 187 SER 26 188 PRO 27 189 TYR 28 190 GLY 29 191 PRO 30 192 GLU 31 193 ALA 32 194 ARG 33 195 ALA 34 196 GLU 35 197 LEU 36 198 SER 37 199 SER 38 200 ARG 39 201 LEU 40 202 THR 41 203 THR 42 204 LEU 43 205 ARG 44 206 ASN 45 207 THR 46 208 LEU 47 209 ALA 48 210 PRO 49 211 ALA 50 212 THR 51 213 ASN 52 214 ASP 53 215 PRO 54 216 ARG 55 217 TYR 56 218 LEU 57 219 GLN 58 220 ALA 59 221 CYS 60 222 GLY 61 223 GLY 62 224 GLU 63 225 LYS 64 226 LEU 65 227 ASN 66 228 ARG 67 229 PHE 68 230 ARG 69 231 ASP 70 232 ILE 71 233 GLN 72 234 CYS 73 235 ARG 74 236 ARG 75 237 GLN 76 238 THR 77 239 ALA 78 240 VAL 79 241 ARG 80 242 ALA 81 243 ASP 82 244 LEU 83 245 ASN 84 246 ALA 85 247 ASN 86 248 TYR 87 249 ILE 88 250 GLN 89 251 VAL 90 252 GLY 91 253 ASN 92 254 THR 93 255 ARG 94 256 THR 95 257 ILE 96 258 ALA 97 259 CYS 98 260 GLN 99 261 TYR 100 262 PRO 101 263 LEU 102 264 GLN 103 265 SER 104 266 GLN 105 267 LEU 106 268 GLU 107 269 SER 108 270 HIS 109 271 PHE 110 272 ARG 111 273 MET 112 274 LEU 113 275 ALA 114 276 GLU 115 277 ASN 116 278 ARG 117 279 THR 118 280 PRO 119 281 VAL 120 282 LEU 121 283 ALA 122 284 VAL 123 285 LEU 124 286 ALA 125 287 SER 126 288 SER 127 289 SER 128 290 GLU 129 291 ILE 130 292 ALA 131 293 ASN 132 294 GLN 133 295 ARG 134 296 PHE 135 297 GLY 136 298 MET 137 299 PRO 138 300 ASP 139 301 TYR 140 302 PHE 141 303 ARG 142 304 GLN 143 305 SER 144 306 GLY 145 307 THR 146 308 TYR 147 309 GLY 148 310 SER 149 311 ILE 150 312 THR 151 313 VAL 152 314 GLU 153 315 SER 154 316 LYS 155 317 MET 156 318 THR 157 319 GLN 158 320 GLN 159 321 VAL 160 322 GLY 161 323 LEU 162 324 GLY 163 325 ASP 164 326 GLY 165 327 ILE 166 328 MET 167 329 ALA 168 330 ASP 169 331 MET 170 332 TYR 171 333 THR 172 334 LEU 173 335 THR 174 336 ILE 175 337 ARG 176 338 GLU 177 339 ALA 178 340 GLY 179 341 GLN 180 342 LYS 181 343 THR 182 344 ILE 183 345 SER 184 346 VAL 185 347 PRO 186 348 VAL 187 349 VAL 188 350 HIS 189 351 VAL 190 352 GLY 191 353 ASN 192 354 TRP 193 355 PRO 194 356 ASP 195 357 GLN 196 358 THR 197 359 ALA 198 360 VAL 199 361 SER 200 362 SER 201 363 GLU 202 364 VAL 203 365 THR 204 366 LYS 205 367 ALA 206 368 LEU 207 369 ALA 208 370 SER 209 371 LEU 210 372 VAL 211 373 ASP 212 374 GLN 213 375 THR 214 376 ALA 215 377 GLU 216 378 THR 217 379 LYS 218 380 ARG 219 381 ASN 220 382 MET 221 383 TYR 222 384 GLU 223 385 SER 224 386 LYS 225 387 GLY 226 388 SER 227 389 SER 228 390 ALA 229 391 VAL 230 392 ALA 231 393 ASP 232 394 ASP 233 395 SER 234 396 LYS 235 397 LEU 236 398 ARG 237 399 PRO 238 400 VAL 239 401 ILE 240 402 HIS 241 403 CYS 242 404 ARG 243 405 ALA 244 406 GLY 245 407 VAL 246 408 GLY 247 409 ARG 248 410 THR 249 411 ALA 250 412 GLN 251 413 LEU 252 414 ILE 253 415 GLY 254 416 ALA 255 417 MET 256 418 CYS 257 419 MET 258 420 ASN 259 421 ASP 260 422 SER 261 423 ARG 262 424 ASN 263 425 SER 264 426 GLN 265 427 LEU 266 428 SER 267 429 VAL 268 430 GLU 269 431 ASP 270 432 MET 271 433 VAL 272 434 SER 273 435 GLN 274 436 MET 275 437 ARG 276 438 VAL 277 439 GLN 278 440 ARG 279 441 ASN 280 442 GLY 281 443 ILE 282 444 MET 283 445 VAL 284 446 GLN 285 447 LYS 286 448 ASP 287 449 GLU 288 450 GLN 289 451 LEU 290 452 ASP 291 453 VAL 292 454 LEU 293 455 ILE 294 456 LYS 295 457 LEU 296 458 ALA 297 459 GLU 298 460 GLY 299 461 GLN 300 462 GLY 301 463 ARG 302 464 PRO 303 465 LEU 304 466 LEU 305 467 ASN 306 468 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 1LYV "High-Resolution Structure Of The Catalytically Inactive Yersinia Tyrosine Phosphatase C403a Mutant In Complex With Phosphate" 100.00 306 99.67 99.67 0.00e+00 PDB 1PA9 "Yersinia Protein-Tyrosine Phosphatase Complexed With Pncs (Yop51,Pasteurella X,Ptpase,Yop51delta162) (Catalytic Domain, Residue" 92.81 284 100.00 100.00 0.00e+00 PDB 1QZ0 "Crystal Structure Of The Yersinia Pestis Phosphatase Yoph In Complex With A Phosphotyrosyl Mimetic-Containing Hexapeptide" 100.00 306 100.00 100.00 0.00e+00 PDB 1XXP "Yersinia Yoph (Residues 163-468) C403s Binds Phosphotyrosyl Peptide At Two Sites" 99.67 306 99.67 99.67 0.00e+00 PDB 1XXV "Yersinia Yoph (Residues 163-468) Binds Phosphonodifluoromethyl-Phe Containing Hexapeptide At Two Sites" 99.67 306 100.00 100.00 0.00e+00 PDB 1YPT "Crystal Structure Of Yersinia Protein Tyrosine Phosphatase At 2.5 Angstroms And The Complex With Tungstate" 99.67 305 100.00 100.00 0.00e+00 PDB 1YTN Hydrolase 100.00 306 100.00 100.00 0.00e+00 PDB 1YTS "A Ligand-Induced Conformational Change In The Yersinia Protein Tyrosine Phosphatase" 90.85 278 99.64 99.64 0.00e+00 PDB 1YTW "Yersinia Ptpase Complexed With Tungstate" 100.00 306 100.00 100.00 0.00e+00 PDB 2I42 "Crystal Structure Of Yersinia Protein Tyrosine Phosphatase Complexed With Vanadate, A Transition State Analogue" 100.00 306 100.00 100.00 0.00e+00 PDB 2Y2F "Crystal Structure Of Yersinia Pestis Yoph In Complex With An Aminooxy-Containing Platform Compound For Inhibitor Design" 100.00 306 100.00 100.00 0.00e+00 PDB 2YDU "Crystal Structure Of Yoph In Complex With 3-(1,1-Dioxido-3-Oxoisothiazolidin-5-Yl)benzaldeyde" 100.00 306 100.00 100.00 0.00e+00 PDB 3BLT "Crystal Structures Of Yoph Complexed With Pvsn And Pvs, Inhibitors Of Yoph Which Co-Valent Bind To Cys Of Active Site" 99.67 305 100.00 100.00 0.00e+00 PDB 3BLU "Crystal Structure Yoph Complexed With Inhibitor Pvs" 99.67 305 100.00 100.00 0.00e+00 PDB 3BM8 "Crystal Structure Of Yoph Mutant D356a Complexed With Irreversible Inhibitor Pvsn" 99.67 305 99.67 99.67 0.00e+00 PDB 3F99 "W354f Yersinia Enterocolitica Ptpase Apo Form" 100.00 306 99.67 100.00 0.00e+00 PDB 3F9A "W354f Yersinia Enterocolitica Ptpase Complexed With Tungstate" 100.00 306 99.67 100.00 0.00e+00 PDB 3F9B "W354f Yersinia Enterocolitica Ptpase Complexed With Divanadate" 100.00 306 99.67 100.00 0.00e+00 PDB 3U96 "Crystal Structure Of Yophq357f(Catalytic Domain, Residues 163-468) In Complex With Pncs" 99.67 306 99.67 99.67 0.00e+00 PDB 4YAA "Yoph W354y Yersinia Enterocolitica Ptpase Apo Form" 100.00 306 99.67 100.00 0.00e+00 PDB 4Z6B "Yoph W354h Yersinia Enterocolitica Ptpase In The Apo Form" 100.00 306 99.67 99.67 0.00e+00 PDB 4ZI4 "Yoph W354h Yersinia Enterocolitica Ptpase Bond With Divanadate Glycerol Ester In The Active Site" 100.00 306 99.67 99.67 0.00e+00 PDB 4ZN5 "Yoph W354y Yersinia Enterocolitica Ptpase Bond With Divanadate Glycerol Ester In The Active Site" 100.00 306 99.67 100.00 0.00e+00 EMBL CAA68629 "Yop2b protein [Yersinia pseudotuberculosis]" 99.67 468 99.02 99.02 0.00e+00 EMBL CAB54944 "putative protein-tyrosine phosphatase Yop effector [Yersinia pestis CO92]" 99.67 468 99.34 99.34 0.00e+00 EMBL CAF25437 "yopH; putative protein-tyrosine phosphatase Yop effector [Yersinia pseudotuberculosis IP 32953]" 99.67 468 99.34 99.34 0.00e+00 EMBL CAL10072 "putative protein-tyrosine phosphatase Yop effector [Yersinia enterocolitica subsp. enterocolitica 8081]" 99.67 468 99.02 99.02 0.00e+00 EMBL CBW54720 "YopH, T3SS secreted protein, tyrosine phosphatase, PMID 19221593 [Yersinia enterocolitica (type O:8)]" 99.67 468 99.02 99.34 0.00e+00 GB AAA19860 "YopH protein [Yersinia enterocolitica W22703]" 99.67 468 99.67 99.67 0.00e+00 GB AAC62606 "YopH [Yersinia pestis]" 99.67 468 99.34 99.34 0.00e+00 GB AAC69768 "targeted effector protein [Yersinia pestis]" 99.67 468 99.34 99.34 0.00e+00 GB AAD16847 "Yop effector YopH [Yersinia enterocolitica W22703]" 99.67 468 99.67 99.67 0.00e+00 GB AAK69246 "Yop effector YopH [Yersinia enterocolitica]" 99.67 468 99.02 99.02 0.00e+00 REF NP_052424 "Yop effector YopH [Yersinia enterocolitica W22703]" 99.67 468 99.67 99.67 0.00e+00 REF NP_395201 "putative secreted protein-tyrosine phosphatase [Yersinia pestis CO92]" 99.67 468 99.34 99.34 0.00e+00 REF NP_783699 "YopH [Yersinia enterocolitica]" 99.67 468 99.02 99.34 0.00e+00 REF NP_857779 "YopH [Yersinia pestis]" 99.67 468 99.34 99.34 0.00e+00 REF NP_857910 "targeted effector protein [Yersinia pestis]" 99.67 468 99.34 99.34 0.00e+00 SP P08538 "RecName: Full=Tyrosine-protein phosphatase YopH; AltName: Full=Virulence protein" 99.67 468 99.34 99.34 0.00e+00 SP P15273 "RecName: Full=Tyrosine-protein phosphatase YopH; AltName: Full=Virulence protein" 99.67 468 99.67 99.67 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 $YopH Enterobacteria 632 Bacteria . Yersinia pestis 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 $YopH 'recombinant technology' . Escherichia coli BL21(DE3) pET19b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $YopH 450 uM '[U-100% 13C; U-100% 15N; U-80% 2H]' 'Bis-Tris propane' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 1 mM 'natural abundance' DTT 3 mM 'natural abundance' 'sodium azide' 0.02 w/v 'natural abundance' D2O 7 % [U-2H] H2O 93 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller & Wuthrich' . www.cara.nmr.ch stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Uniform NMR System' _Field_strength 900 _Details 'NMRFAM, cryogenic probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Uniform NMR System' _Field_strength 900 _Details 'University of Colorado, cryogenic probe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'University of Colorado, cryogenic probe' save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details 'Room temperature probe' save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Uniform NMR System' _Field_strength 800 _Details 'Room temperature probe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HCACO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACO' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _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' 0.11 . M pH 6.5 . pH pressure 1 . atm temperature 293 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_Water_resonance _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio water C 13 'methyl protons' ppm 4.8 internal indirect . . . 0.251449512 water H 1 'methyl protons' ppm 4.8 internal indirect . . . 1.00000000 water N 15 'methyl protons' ppm 4.8 internal indirect . . . 0.10132905 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HN(COCA)CB' '3D HCACO' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $Water_resonance _Mol_system_component_name YopH _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 1 163 1 MET H H 8.573 0.020 1 2 163 1 MET C C 174.015 0.3 1 3 163 1 MET CA C 55.995 0.3 1 4 163 1 MET CB C 29.221 0.3 1 5 163 1 MET N N 124.292 0.3 1 6 164 2 ARG H H 8.496 0.020 1 7 164 2 ARG C C 174.547 0.3 1 8 164 2 ARG CA C 55.622 0.3 1 9 164 2 ARG N N 124.174 0.3 1 10 165 3 GLU H H 8.375 0.020 1 11 165 3 GLU C C 172.768 0.3 1 12 165 3 GLU CA C 53.292 0.3 1 13 165 3 GLU CB C 28.770 0.3 1 14 165 3 GLU N N 124.687 0.3 1 15 167 5 PRO C C 175.170 0.3 1 16 167 5 PRO CA C 62.376 0.3 1 17 168 6 HIS H H 8.494 0.020 1 18 168 6 HIS CA C 55.261 0.3 1 19 168 6 HIS CB C 28.971 0.3 1 20 168 6 HIS N N 120.849 0.3 1 21 169 7 THR H H 8.017 0.020 1 22 169 7 THR C C 172.932 0.3 1 23 169 7 THR CA C 60.826 0.3 1 24 169 7 THR CB C 68.857 0.3 1 25 169 7 THR N N 116.205 0.3 1 26 170 8 SER H H 8.320 0.020 1 27 170 8 SER C C 173.519 0.3 1 28 170 8 SER CA C 57.845 0.3 1 29 170 8 SER CB C 62.986 0.3 1 30 170 8 SER N N 119.051 0.3 1 31 171 9 GLY H H 8.312 0.020 1 32 171 9 GLY C C 173.783 0.3 1 33 171 9 GLY CA C 44.289 0.3 1 34 171 9 GLY N N 111.604 0.3 1 35 173 11 HIS H H 8.125 0.020 1 36 173 11 HIS C C 173.437 0.3 1 37 173 11 HIS CA C 55.293 0.3 1 38 173 11 HIS N N 120.105 0.3 1 39 174 12 GLY H H 8.333 0.020 1 40 174 12 GLY C C 172.321 0.3 1 41 174 12 GLY CA C 44.371 0.3 1 42 174 12 GLY N N 111.573 0.3 1 43 175 13 ALA H H 8.243 0.020 1 44 175 13 ALA C C 176.946 0.3 1 45 175 13 ALA CA C 52.006 0.3 1 46 175 13 ALA CB C 18.016 0.3 1 47 175 13 ALA N N 125.206 0.3 1 48 176 14 GLY H H 8.347 0.020 1 49 176 14 GLY C C 172.695 0.3 1 50 176 14 GLY CA C 44.685 0.3 1 51 176 14 GLY N N 109.392 0.3 1 52 177 15 GLU H H 8.079 0.020 1 53 177 15 GLU C C 174.819 0.3 1 54 177 15 GLU CA C 55.771 0.3 1 55 177 15 GLU CB C 29.067 0.3 1 56 177 15 GLU N N 121.714 0.3 1 57 178 16 ALA H H 8.252 0.020 1 58 178 16 ALA C C 176.228 0.3 1 59 178 16 ALA CA C 51.868 0.3 1 60 178 16 ALA CB C 17.716 0.3 1 61 178 16 ALA N N 126.413 0.3 1 62 179 17 ARG H H 8.164 0.020 1 63 179 17 ARG C C 174.547 0.3 1 64 179 17 ARG CA C 55.195 0.3 1 65 179 17 ARG CB C 29.372 0.3 1 66 179 17 ARG N N 121.476 0.3 1 67 181 19 THR H H 8.009 0.020 1 68 181 19 THR C C 172.480 0.3 1 69 181 19 THR CA C 61.015 0.3 1 70 181 19 THR CB C 68.936 0.3 1 71 181 19 THR N N 114.792 0.3 1 72 182 20 ALA H H 8.189 0.020 1 73 182 20 ALA C C 174.049 0.3 1 74 182 20 ALA CA C 49.919 0.3 1 75 182 20 ALA CB C 17.114 0.3 1 76 182 20 ALA N N 128.929 0.3 1 77 183 21 PRO C C 175.500 0.3 1 78 183 21 PRO CA C 62.598 0.3 1 79 183 21 PRO CB C 30.725 0.3 1 80 184 22 SER H H 8.317 0.020 1 81 184 22 SER CA C 57.833 0.3 1 82 184 22 SER CB C 62.836 0.3 1 83 184 22 SER N N 116.547 0.3 1 84 185 23 THR H H 8.069 0.020 1 85 185 23 THR C C 172.932 0.3 1 86 185 23 THR CA C 61.322 0.3 1 87 185 23 THR CB C 68.637 0.3 1 88 185 23 THR N N 117.177 0.3 1 89 186 24 VAL H H 7.924 0.020 1 90 186 24 VAL CA C 61.163 0.3 1 91 186 24 VAL CB C 31.735 0.3 1 92 186 24 VAL N N 122.336 0.3 1 93 187 25 SER H H 8.615 0.020 1 94 187 25 SER C C 174.529 0.3 1 95 187 25 SER CA C 55.165 0.3 1 96 187 25 SER CB C 62.535 0.3 1 97 187 25 SER N N 121.476 0.3 1 98 188 26 PRO C C 173.868 0.3 1 99 188 26 PRO CA C 63.633 0.3 1 100 188 26 PRO CB C 30.182 0.3 1 101 189 27 TYR H H 7.839 0.020 1 102 189 27 TYR C C 174.766 0.3 1 103 189 27 TYR CA C 55.376 0.3 1 104 189 27 TYR CB C 37.705 0.3 1 105 189 27 TYR N N 113.906 0.3 1 106 190 28 GLY H H 7.306 0.020 1 107 190 28 GLY C C 169.798 0.3 1 108 190 28 GLY CA C 44.738 0.3 1 109 190 28 GLY N N 109.379 0.3 1 110 191 29 PRO C C 178.525 0.3 1 111 191 29 PRO CA C 64.479 0.3 1 112 191 29 PRO CB C 30.424 0.3 1 113 192 30 GLU H H 8.791 0.020 1 114 192 30 GLU C C 178.036 0.3 1 115 192 30 GLU CA C 59.616 0.3 1 116 192 30 GLU CB C 26.364 0.3 1 117 192 30 GLU N N 119.919 0.3 1 118 193 31 ALA H H 8.415 0.020 1 119 193 31 ALA C C 178.302 0.3 1 120 193 31 ALA CA C 54.537 0.3 1 121 193 31 ALA CB C 17.571 0.3 1 122 193 31 ALA N N 127.010 0.3 1 123 194 32 ARG H H 8.161 0.020 1 124 194 32 ARG C C 177.451 0.3 1 125 194 32 ARG CA C 59.344 0.3 1 126 194 32 ARG CB C 28.244 0.3 1 127 194 32 ARG N N 117.311 0.3 1 128 195 33 ALA H H 8.102 0.020 1 129 195 33 ALA C C 179.046 0.3 1 130 195 33 ALA CA C 54.276 0.3 1 131 195 33 ALA CB C 16.491 0.3 1 132 195 33 ALA N N 123.155 0.3 1 133 196 34 GLU H H 7.855 0.020 1 134 196 34 GLU CA C 57.877 0.3 1 135 196 34 GLU CB C 27.098 0.3 1 136 196 34 GLU N N 122.841 0.3 1 137 197 35 LEU H H 8.351 0.020 1 138 197 35 LEU CA C 57.685 0.3 1 139 197 35 LEU CB C 39.611 0.3 1 140 197 35 LEU N N 121.993 0.3 1 141 198 36 SER H H 8.152 0.020 1 142 198 36 SER C C 176.441 0.3 1 143 198 36 SER CA C 61.546 0.3 1 144 198 36 SER CB C 62.309 0.3 1 145 198 36 SER N N 113.383 0.3 1 146 199 37 SER H H 8.289 0.020 1 147 199 37 SER CA C 61.136 0.3 1 148 199 37 SER CB C 61.928 0.3 1 149 199 37 SER N N 119.551 0.3 1 150 200 38 ARG H H 8.292 0.020 1 151 200 38 ARG C C 179.126 0.3 1 152 200 38 ARG CA C 59.226 0.3 1 153 200 38 ARG CB C 28.912 0.3 1 154 200 38 ARG N N 122.877 0.3 1 155 201 39 LEU H H 8.372 0.020 1 156 201 39 LEU C C 178.049 0.3 1 157 201 39 LEU CA C 57.062 0.3 1 158 201 39 LEU CB C 38.621 0.3 1 159 201 39 LEU N N 119.806 0.3 1 160 202 40 THR H H 8.656 0.020 1 161 202 40 THR C C 174.290 0.3 1 162 202 40 THR CA C 66.491 0.3 1 163 202 40 THR CB C 67.348 0.3 1 164 202 40 THR N N 122.513 0.3 1 165 203 41 THR H H 8.001 0.020 1 166 203 41 THR C C 174.969 0.3 1 167 203 41 THR CA C 66.369 0.3 1 168 203 41 THR CB C 67.423 0.3 1 169 203 41 THR N N 121.091 0.3 1 170 204 42 LEU H H 7.247 0.020 1 171 204 42 LEU C C 176.999 0.3 1 172 204 42 LEU CA C 57.151 0.3 1 173 204 42 LEU CB C 40.500 0.3 1 174 204 42 LEU N N 122.363 0.3 1 175 205 43 ARG H H 8.341 0.020 1 176 205 43 ARG CA C 59.884 0.3 1 177 205 43 ARG CB C 28.579 0.3 1 178 205 43 ARG N N 120.799 0.3 1 179 206 44 ASN H H 8.243 0.020 1 180 206 44 ASN CA C 55.593 0.3 1 181 206 44 ASN CB C 36.177 0.3 1 182 206 44 ASN N N 118.507 0.3 1 183 207 45 THR H H 8.240 0.020 1 184 207 45 THR CA C 65.069 0.3 1 185 207 45 THR CB C 68.250 0.3 1 186 207 45 THR N N 117.866 0.3 1 187 208 46 LEU H H 7.730 0.020 1 188 208 46 LEU CA C 53.713 0.3 1 189 208 46 LEU CB C 40.768 0.3 1 190 208 46 LEU N N 120.184 0.3 1 191 209 47 ALA H H 7.356 0.020 1 192 209 47 ALA C C 173.783 0.3 1 193 209 47 ALA CA C 50.808 0.3 1 194 209 47 ALA CB C 16.512 0.3 1 195 209 47 ALA N N 130.711 0.3 1 196 210 48 PRO C C 176.729 0.3 1 197 210 48 PRO CA C 61.777 0.3 1 198 210 48 PRO CB C 30.655 0.3 1 199 211 49 ALA H H 9.804 0.020 1 200 211 49 ALA C C 176.175 0.3 1 201 211 49 ALA CA C 49.837 0.3 1 202 211 49 ALA CB C 18.919 0.3 1 203 211 49 ALA N N 130.479 0.3 1 204 212 50 THR H H 8.479 0.020 1 205 212 50 THR C C 173.889 0.3 1 206 212 50 THR CA C 64.194 0.3 1 207 212 50 THR CB C 67.557 0.3 1 208 212 50 THR N N 119.317 0.3 1 209 213 51 ASN H H 9.353 0.020 1 210 213 51 ASN C C 173.153 0.3 1 211 213 51 ASN CA C 53.120 0.3 1 212 213 51 ASN CB C 36.065 0.3 1 213 213 51 ASN N N 125.334 0.3 1 214 214 52 ASP H H 7.120 0.020 1 215 214 52 ASP C C 174.527 0.3 1 216 214 52 ASP CA C 52.023 0.3 1 217 214 52 ASP CB C 42.306 0.3 1 218 214 52 ASP N N 121.518 0.3 1 219 215 53 PRO C C 176.564 0.3 1 220 215 53 PRO CA C 63.422 0.3 1 221 215 53 PRO CB C 31.101 0.3 1 222 216 54 ARG H H 9.071 0.020 1 223 216 54 ARG C C 175.830 0.3 1 224 216 54 ARG CA C 56.202 0.3 1 225 216 54 ARG CB C 29.639 0.3 1 226 216 54 ARG N N 116.080 0.3 1 227 217 55 TYR H H 7.936 0.020 1 228 217 55 TYR C C 173.331 0.3 1 229 217 55 TYR CA C 57.526 0.3 1 230 217 55 TYR CB C 41.456 0.3 1 231 217 55 TYR N N 118.252 0.3 1 232 218 56 LEU H H 9.096 0.020 1 233 218 56 LEU C C 175.354 0.3 1 234 218 56 LEU CA C 55.108 0.3 1 235 218 56 LEU CB C 42.786 0.3 1 236 218 56 LEU N N 123.633 0.3 1 237 219 57 GLN H H 8.454 0.020 1 238 219 57 GLN C C 173.889 0.3 1 239 219 57 GLN CA C 52.549 0.3 1 240 219 57 GLN CB C 28.940 0.3 1 241 219 57 GLN N N 124.306 0.3 1 242 220 58 ALA H H 8.500 0.020 1 243 220 58 ALA C C 176.388 0.3 1 244 220 58 ALA CA C 51.845 0.3 1 245 220 58 ALA CB C 18.333 0.3 1 246 220 58 ALA N N 125.856 0.3 1 247 221 59 CYS H H 8.793 0.020 1 248 221 59 CYS C C 173.995 0.3 1 249 221 59 CYS CA C 57.941 0.3 1 250 221 59 CYS CB C 27.734 0.3 1 251 221 59 CYS N N 122.256 0.3 1 252 222 60 GLY H H 8.678 0.020 1 253 222 60 GLY C C 173.464 0.3 1 254 222 60 GLY CA C 45.645 0.3 1 255 222 60 GLY N N 113.383 0.3 1 256 223 61 GLY H H 8.496 0.020 1 257 223 61 GLY C C 172.719 0.3 1 258 223 61 GLY CA C 44.738 0.3 1 259 223 61 GLY N N 111.273 0.3 1 260 224 62 GLU H H 7.763 0.020 1 261 224 62 GLU C C 174.345 0.3 1 262 224 62 GLU CA C 54.780 0.3 1 263 224 62 GLU CB C 29.321 0.3 1 264 224 62 GLU N N 121.596 0.3 1 265 225 63 LYS H H 8.243 0.020 1 266 225 63 LYS C C 173.145 0.3 1 267 225 63 LYS CA C 56.396 0.3 1 268 225 63 LYS CB C 31.324 0.3 1 269 225 63 LYS N N 124.430 0.3 1 270 226 64 LEU H H 8.039 0.020 1 271 226 64 LEU C C 174.926 0.3 1 272 226 64 LEU CA C 55.101 0.3 1 273 226 64 LEU CB C 43.732 0.3 1 274 226 64 LEU N N 126.097 0.3 1 275 227 65 ASN H H 8.185 0.020 1 276 227 65 ASN C C 173.038 0.3 1 277 227 65 ASN CA C 51.928 0.3 1 278 227 65 ASN CB C 38.029 0.3 1 279 227 65 ASN N N 118.116 0.3 1 280 228 66 ARG H H 9.149 0.020 1 281 228 66 ARG C C 173.730 0.3 1 282 228 66 ARG CA C 58.729 0.3 1 283 228 66 ARG CB C 29.447 0.3 1 284 228 66 ARG N N 127.378 0.3 1 285 229 67 PHE H H 9.230 0.020 1 286 229 67 PHE C C 174.950 0.3 1 287 229 67 PHE CB C 39.524 0.3 1 288 229 67 PHE N N 118.141 0.3 1 289 230 68 ARG H H 8.662 0.020 1 290 230 68 ARG CA C 58.396 0.3 1 291 230 68 ARG CB C 28.620 0.3 1 292 230 68 ARG N N 124.176 0.3 1 293 231 69 ASP H H 8.702 0.020 1 294 231 69 ASP C C 174.155 0.3 1 295 231 69 ASP CA C 52.810 0.3 1 296 231 69 ASP CB C 38.912 0.3 1 297 231 69 ASP N N 113.385 0.3 1 298 232 70 ILE H H 7.549 0.020 1 299 232 70 ILE C C 172.640 0.3 1 300 232 70 ILE CA C 60.380 0.3 1 301 232 70 ILE CB C 34.911 0.3 1 302 232 70 ILE N N 124.300 0.3 1 303 233 71 GLN H H 7.954 0.020 1 304 233 71 GLN C C 172.028 0.3 1 305 233 71 GLN CA C 55.159 0.3 1 306 233 71 GLN CB C 27.641 0.3 1 307 233 71 GLN N N 125.467 0.3 1 308 234 72 CYS H H 9.522 0.020 1 309 234 72 CYS C C 173.337 0.3 1 310 234 72 CYS CA C 56.026 0.3 1 311 234 72 CYS CB C 27.416 0.3 1 312 234 72 CYS N N 121.475 0.3 1 313 235 73 ARG H H 8.133 0.020 1 314 235 73 ARG C C 174.633 0.3 1 315 235 73 ARG CA C 55.965 0.3 1 316 235 73 ARG CB C 27.479 0.3 1 317 235 73 ARG N N 132.435 0.3 1 318 236 74 ARG H H 8.898 0.020 1 319 236 74 ARG C C 178.382 0.3 1 320 236 74 ARG CA C 59.300 0.3 1 321 236 74 ARG CB C 28.940 0.3 1 322 236 74 ARG N N 127.990 0.3 1 323 237 75 GLN H H 8.612 0.020 1 324 237 75 GLN C C 174.952 0.3 1 325 237 75 GLN CA C 58.425 0.3 1 326 237 75 GLN CB C 27.670 0.3 1 327 237 75 GLN N N 117.752 0.3 1 328 238 76 THR H H 6.697 0.020 1 329 238 76 THR C C 172.035 0.3 1 330 238 76 THR CA C 58.994 0.3 1 331 238 76 THR CB C 67.084 0.3 1 332 238 76 THR N N 104.772 0.3 1 333 239 77 ALA H H 7.243 0.020 1 334 239 77 ALA C C 176.105 0.3 1 335 239 77 ALA CA C 52.497 0.3 1 336 239 77 ALA CB C 17.698 0.3 1 337 239 77 ALA N N 127.390 0.3 1 338 240 78 VAL H H 7.140 0.020 1 339 240 78 VAL CA C 63.829 0.3 1 340 240 78 VAL CB C 31.477 0.3 1 341 240 78 VAL N N 124.696 0.3 1 342 241 79 ARG H H 9.009 0.020 1 343 241 79 ARG CA C 54.718 0.3 1 344 241 79 ARG CB C 34.530 0.3 1 345 241 79 ARG N N 119.051 0.3 1 346 242 80 ALA H H 8.273 0.020 1 347 242 80 ALA C C 174.740 0.3 1 348 242 80 ALA CA C 53.597 0.3 1 349 242 80 ALA CB C 17.640 0.3 1 350 242 80 ALA N N 120.872 0.3 1 351 243 81 ASP H H 7.854 0.020 1 352 243 81 ASP C C 173.171 0.3 1 353 243 81 ASP CA C 51.213 0.3 1 354 243 81 ASP CB C 39.243 0.3 1 355 243 81 ASP N N 112.876 0.3 1 356 244 82 LEU H H 7.086 0.020 1 357 244 82 LEU C C 172.906 0.3 1 358 244 82 LEU CA C 52.315 0.3 1 359 244 82 LEU CB C 45.117 0.3 1 360 244 82 LEU N N 116.557 0.3 1 361 245 83 ASN H H 8.810 0.020 1 362 245 83 ASN C C 170.752 0.3 1 363 245 83 ASN CA C 51.362 0.3 1 364 245 83 ASN CB C 37.391 0.3 1 365 245 83 ASN N N 120.073 0.3 1 366 246 84 ALA H H 7.120 0.020 1 367 246 84 ALA CA C 51.252 0.3 1 368 246 84 ALA CB C 19.985 0.3 1 369 246 84 ALA N N 125.070 0.3 1 370 247 85 ASN H H 9.299 0.020 1 371 247 85 ASN CA C 54.219 0.3 1 372 247 85 ASN CB C 44.501 0.3 1 373 247 85 ASN N N 121.086 0.3 1 374 248 86 TYR H H 8.936 0.020 1 375 248 86 TYR CA C 58.411 0.3 1 376 248 86 TYR CB C 37.451 0.3 1 377 248 86 TYR N N 123.033 0.3 1 378 249 87 ILE H H 8.365 0.020 1 379 249 87 ILE C C 174.102 0.3 1 380 249 87 ILE CA C 57.758 0.3 1 381 249 87 ILE CB C 37.135 0.3 1 382 249 87 ILE N N 123.396 0.3 1 383 250 88 GLN H H 9.965 0.020 1 384 250 88 GLN C C 173.065 0.3 1 385 250 88 GLN CA C 53.567 0.3 1 386 250 88 GLN CB C 27.868 0.3 1 387 250 88 GLN N N 130.485 0.3 1 388 251 89 VAL H H 8.192 0.020 1 389 251 89 VAL C C 174.547 0.3 1 390 251 89 VAL CA C 59.229 0.3 1 391 251 89 VAL CB C 31.708 0.3 1 392 251 89 VAL N N 128.291 0.3 1 393 252 90 GLY H H 8.971 0.020 1 394 252 90 GLY C C 173.251 0.3 1 395 252 90 GLY CA C 46.196 0.3 1 396 252 90 GLY N N 117.112 0.3 1 397 253 91 ASN H H 9.667 0.020 1 398 253 91 ASN C C 172.894 0.3 1 399 253 91 ASN CA C 53.445 0.3 1 400 253 91 ASN CB C 39.498 0.3 1 401 253 91 ASN N N 127.771 0.3 1 402 254 92 THR H H 8.442 0.020 1 403 254 92 THR CA C 62.886 0.3 1 404 254 92 THR CB C 67.811 0.3 1 405 254 92 THR N N 120.192 0.3 1 406 255 93 ARG H H 8.545 0.020 1 407 255 93 ARG C C 174.254 0.3 1 408 255 93 ARG CA C 54.543 0.3 1 409 255 93 ARG CB C 30.876 0.3 1 410 255 93 ARG N N 130.500 0.3 1 411 256 94 THR H H 9.093 0.020 1 412 256 94 THR C C 173.278 0.3 1 413 256 94 THR CA C 60.525 0.3 1 414 256 94 THR CB C 73.439 0.3 1 415 256 94 THR N N 113.480 0.3 1 416 257 95 ILE H H 9.040 0.020 1 417 257 95 ILE C C 172.268 0.3 1 418 257 95 ILE CA C 61.093 0.3 1 419 257 95 ILE CB C 40.160 0.3 1 420 257 95 ILE N N 124.173 0.3 1 421 258 96 ALA H H 8.296 0.020 1 422 258 96 ALA C C 174.660 0.3 1 423 258 96 ALA CA C 48.615 0.3 1 424 258 96 ALA CB C 21.192 0.3 1 425 258 96 ALA N N 127.775 0.3 1 426 259 97 CYS H H 8.417 0.020 1 427 259 97 CYS C C 169.596 0.3 1 428 259 97 CYS CA C 54.346 0.3 1 429 259 97 CYS CB C 32.561 0.3 1 430 259 97 CYS N N 117.412 0.3 1 431 260 98 GLN H H 7.431 0.020 1 432 260 98 GLN C C 173.278 0.3 1 433 260 98 GLN CA C 51.460 0.3 1 434 260 98 GLN CB C 27.040 0.3 1 435 260 98 GLN N N 112.206 0.3 1 436 261 99 TYR H H 8.053 0.020 1 437 261 99 TYR C C 173.923 0.3 1 438 261 99 TYR CA C 55.101 0.3 1 439 261 99 TYR CB C 34.847 0.3 1 440 261 99 TYR N N 125.189 0.3 1 441 262 100 PRO C C 175.482 0.3 1 442 262 100 PRO CA C 62.427 0.3 1 443 262 100 PRO CB C 28.695 0.3 1 444 263 101 LEU H H 7.613 0.020 1 445 263 101 LEU C C 177.265 0.3 1 446 263 101 LEU CA C 53.327 0.3 1 447 263 101 LEU CB C 40.877 0.3 1 448 263 101 LEU N N 120.184 0.3 1 449 264 102 GLN H H 8.997 0.020 1 450 264 102 GLN C C 176.820 0.3 1 451 264 102 GLN CA C 59.491 0.3 1 452 264 102 GLN CB C 26.439 0.3 1 453 264 102 GLN N N 123.530 0.3 1 454 265 103 SER H H 8.046 0.020 1 455 265 103 SER C C 173.916 0.3 1 456 265 103 SER CA C 59.491 0.3 1 457 265 103 SER CB C 61.407 0.3 1 458 265 103 SER N N 111.447 0.3 1 459 266 104 GLN H H 7.457 0.020 1 460 266 104 GLN C C 175.059 0.3 1 461 266 104 GLN CA C 54.246 0.3 1 462 266 104 GLN CB C 27.588 0.3 1 463 266 104 GLN N N 120.232 0.3 1 464 267 105 LEU H H 7.016 0.020 1 465 267 105 LEU C C 175.830 0.3 1 466 267 105 LEU CA C 58.188 0.3 1 467 267 105 LEU CB C 39.738 0.3 1 468 267 105 LEU N N 119.989 0.3 1 469 268 106 GLU H H 8.684 0.020 1 470 268 106 GLU CA C 60.868 0.3 1 471 268 106 GLU CB C 27.812 0.3 1 472 268 106 GLU N N 120.162 0.3 1 473 269 107 SER H H 8.164 0.020 1 474 269 107 SER C C 176.564 0.3 1 475 269 107 SER CA C 61.182 0.3 1 476 269 107 SER CB C 62.159 0.3 1 477 269 107 SER N N 115.694 0.3 1 478 270 108 HIS H H 8.812 0.020 1 479 270 108 HIS CA C 59.808 0.3 1 480 270 108 HIS CB C 30.719 0.3 1 481 270 108 HIS N N 123.664 0.3 1 482 271 109 PHE H H 8.696 0.020 1 483 271 109 PHE C C 176.802 0.3 1 484 271 109 PHE CA C 62.693 0.3 1 485 271 109 PHE CB C 38.020 0.3 1 486 271 109 PHE N N 118.027 0.3 1 487 272 110 ARG H H 8.380 0.020 1 488 272 110 ARG C C 177.150 0.3 1 489 272 110 ARG CA C 59.937 0.3 1 490 272 110 ARG CB C 29.823 0.3 1 491 272 110 ARG N N 121.354 0.3 1 492 273 111 MET H H 8.388 0.020 1 493 273 111 MET CA C 58.100 0.3 1 494 273 111 MET N N 121.725 0.3 1 495 274 112 LEU H H 8.180 0.020 1 496 274 112 LEU C C 179.631 0.3 1 497 274 112 LEU CA C 55.906 0.3 1 498 274 112 LEU CB C 40.754 0.3 1 499 274 112 LEU N N 118.638 0.3 1 500 275 113 ALA H H 8.627 0.020 1 501 275 113 ALA C C 179.919 0.3 1 502 275 113 ALA CA C 54.483 0.3 1 503 275 113 ALA CB C 17.063 0.3 1 504 275 113 ALA N N 123.900 0.3 1 505 276 114 GLU H H 9.198 0.020 1 506 276 114 GLU C C 176.435 0.3 1 507 276 114 GLU CA C 58.983 0.3 1 508 276 114 GLU CB C 27.988 0.3 1 509 276 114 GLU N N 123.932 0.3 1 510 277 115 ASN H H 7.330 0.020 1 511 277 115 ASN C C 172.420 0.3 1 512 277 115 ASN CA C 52.972 0.3 1 513 277 115 ASN CB C 39.223 0.3 1 514 277 115 ASN N N 113.249 0.3 1 515 278 116 ARG H H 8.046 0.020 1 516 278 116 ARG C C 172.746 0.3 1 517 278 116 ARG CA C 56.218 0.3 1 518 278 116 ARG CB C 24.748 0.3 1 519 278 116 ARG N N 118.655 0.3 1 520 279 117 THR H H 6.556 0.020 1 521 279 117 THR C C 173.464 0.3 1 522 279 117 THR CA C 61.099 0.3 1 523 279 117 THR CB C 69.604 0.3 1 524 279 117 THR N N 108.806 0.3 1 525 280 118 PRO C C 172.017 0.3 1 526 280 118 PRO CA C 63.019 0.3 1 527 280 118 PRO CB C 30.500 0.3 1 528 281 119 VAL H H 6.191 0.020 1 529 281 119 VAL C C 168.440 0.3 1 530 281 119 VAL CA C 60.716 0.3 1 531 281 119 VAL CB C 30.430 0.3 1 532 281 119 VAL N N 109.831 0.3 1 533 282 120 LEU H H 8.742 0.020 1 534 282 120 LEU C C 171.980 0.3 1 535 282 120 LEU CA C 51.565 0.3 1 536 282 120 LEU CB C 43.549 0.3 1 537 282 120 LEU N N 132.780 0.3 1 538 283 121 ALA H H 9.542 0.020 1 539 283 121 ALA C C 172.512 0.3 1 540 283 121 ALA CA C 48.757 0.3 1 541 283 121 ALA CB C 18.919 0.3 1 542 283 121 ALA N N 131.547 0.3 1 543 284 122 VAL H H 8.645 0.020 1 544 284 122 VAL C C 174.660 0.3 1 545 284 122 VAL CA C 60.557 0.3 1 546 284 122 VAL CB C 31.346 0.3 1 547 284 122 VAL N N 122.189 0.3 1 548 285 123 LEU H H 8.834 0.020 1 549 285 123 LEU C C 173.969 0.3 1 550 285 123 LEU CA C 52.314 0.3 1 551 285 123 LEU CB C 39.992 0.3 1 552 285 123 LEU N N 126.531 0.3 1 553 286 124 ALA H H 6.443 0.020 1 554 286 124 ALA CA C 50.156 0.3 1 555 286 124 ALA CB C 19.159 0.3 1 556 286 124 ALA N N 119.832 0.3 1 557 287 125 SER H H 9.440 0.020 1 558 287 125 SER C C 174.400 0.3 1 559 287 125 SER CA C 57.388 0.3 1 560 287 125 SER CB C 65.092 0.3 1 561 287 125 SER N N 121.829 0.3 1 562 290 128 GLU H H 7.670 0.020 1 563 290 128 GLU C C 176.142 0.3 1 564 290 128 GLU CA C 59.018 0.3 1 565 290 128 GLU CB C 28.559 0.3 1 566 290 128 GLU N N 124.149 0.3 1 567 291 129 ILE H H 7.968 0.020 1 568 291 129 ILE CA C 64.501 0.3 1 569 291 129 ILE CB C 38.029 0.3 1 570 291 129 ILE N N 118.893 0.3 1 571 292 130 ALA H H 7.682 0.020 1 572 292 130 ALA C C 176.175 0.3 1 573 292 130 ALA CA C 52.320 0.3 1 574 292 130 ALA CB C 17.716 0.3 1 575 292 130 ALA N N 118.247 0.3 1 576 293 131 ASN H H 7.136 0.020 1 577 293 131 ASN C C 176.016 0.3 1 578 293 131 ASN CA C 52.070 0.3 1 579 293 131 ASN CB C 35.863 0.3 1 580 293 131 ASN N N 117.766 0.3 1 581 294 132 GLN H H 9.161 0.020 1 582 294 132 GLN C C 176.710 0.3 1 583 294 132 GLN CA C 57.768 0.3 1 584 294 132 GLN CB C 27.006 0.3 1 585 294 132 GLN N N 130.301 0.3 1 586 295 133 ARG H H 7.956 0.020 1 587 295 133 ARG C C 176.710 0.3 1 588 295 133 ARG CA C 57.292 0.3 1 589 295 133 ARG CB C 28.093 0.3 1 590 295 133 ARG N N 118.778 0.3 1 591 296 134 PHE H H 7.502 0.020 1 592 296 134 PHE CA C 54.367 0.3 1 593 296 134 PHE CB C 36.967 0.3 1 594 296 134 PHE N N 116.464 0.3 1 595 297 135 GLY H H 7.428 0.020 1 596 297 135 GLY C C 173.862 0.3 1 597 297 135 GLY CA C 48.170 0.3 1 598 297 135 GLY N N 108.363 0.3 1 599 298 136 MET H H 9.412 0.020 1 600 298 136 MET C C 169.476 0.3 1 601 298 136 MET CA C 52.646 0.3 1 602 298 136 MET CB C 31.853 0.3 1 603 298 136 MET N N 126.340 0.3 1 604 299 137 PRO C C 177.774 0.3 1 605 299 137 PRO CA C 61.587 0.3 1 606 299 137 PRO CB C 31.452 0.3 1 607 300 138 ASP H H 9.242 0.020 1 608 300 138 ASP C C 175.482 0.3 1 609 300 138 ASP CA C 52.468 0.3 1 610 300 138 ASP CB C 36.967 0.3 1 611 300 138 ASP N N 130.589 0.3 1 612 301 139 TYR H H 7.695 0.020 1 613 301 139 TYR C C 173.373 0.3 1 614 301 139 TYR CA C 57.566 0.3 1 615 301 139 TYR CB C 38.095 0.3 1 616 301 139 TYR N N 117.735 0.3 1 617 302 140 PHE H H 6.830 0.020 1 618 302 140 PHE C C 172.613 0.3 1 619 302 140 PHE CA C 53.861 0.3 1 620 302 140 PHE CB C 38.086 0.3 1 621 302 140 PHE N N 115.022 0.3 1 622 303 141 ARG H H 6.340 0.020 1 623 303 141 ARG C C 172.787 0.3 1 624 303 141 ARG CA C 55.593 0.3 1 625 303 141 ARG CB C 29.447 0.3 1 626 303 141 ARG N N 119.169 0.3 1 627 304 142 GLN H H 6.627 0.020 1 628 304 142 GLN C C 173.080 0.3 1 629 304 142 GLN CA C 52.524 0.3 1 630 304 142 GLN CB C 30.349 0.3 1 631 304 142 GLN N N 114.665 0.3 1 632 305 143 SER H H 8.559 0.020 1 633 305 143 SER C C 172.294 0.3 1 634 305 143 SER CA C 57.585 0.3 1 635 305 143 SER CB C 63.287 0.3 1 636 305 143 SER N N 119.155 0.3 1 637 306 144 GLY H H 8.355 0.020 1 638 306 144 GLY CA C 45.384 0.3 1 639 306 144 GLY N N 109.505 0.3 1 640 307 145 THR H H 7.620 0.020 1 641 307 145 THR CA C 60.885 0.3 1 642 307 145 THR CB C 70.034 0.3 1 643 307 145 THR N N 116.104 0.3 1 644 308 146 TYR H H 9.147 0.020 1 645 308 146 TYR CA C 54.918 0.3 1 646 308 146 TYR CB C 37.197 0.3 1 647 308 146 TYR N N 128.536 0.3 1 648 309 147 GLY H H 8.544 0.020 1 649 309 147 GLY C C 173.995 0.3 1 650 309 147 GLY CA C 46.661 0.3 1 651 309 147 GLY N N 113.894 0.3 1 652 310 148 SER H H 8.642 0.020 1 653 310 148 SER CA C 58.665 0.3 1 654 310 148 SER CB C 62.610 0.3 1 655 310 148 SER N N 124.429 0.3 1 656 311 149 ILE H H 8.072 0.020 1 657 311 149 ILE CA C 60.014 0.3 1 658 311 149 ILE CB C 37.857 0.3 1 659 311 149 ILE N N 126.224 0.3 1 660 312 150 THR H H 8.952 0.020 1 661 312 150 THR C C 171.540 0.3 1 662 312 150 THR CA C 61.142 0.3 1 663 312 150 THR CB C 69.844 0.3 1 664 312 150 THR N N 123.602 0.3 1 665 313 151 VAL H H 8.891 0.020 1 666 313 151 VAL C C 174.368 0.3 1 667 313 151 VAL CA C 59.729 0.3 1 668 313 151 VAL CB C 34.339 0.3 1 669 313 151 VAL N N 125.749 0.3 1 670 314 152 GLU H H 8.505 0.020 1 671 314 152 GLU C C 173.092 0.3 1 672 314 152 GLU CA C 53.567 0.3 1 673 314 152 GLU CB C 32.218 0.3 1 674 314 152 GLU N N 126.083 0.3 1 675 315 153 SER H H 8.143 0.020 1 676 315 153 SER CA C 55.548 0.3 1 677 315 153 SER CB C 63.437 0.3 1 678 315 153 SER N N 116.977 0.3 1 679 316 154 LYS H H 8.014 0.020 1 680 316 154 LYS C C 172.988 0.3 1 681 316 154 LYS CA C 54.463 0.3 1 682 316 154 LYS CB C 34.720 0.3 1 683 316 154 LYS N N 127.395 0.3 1 684 317 155 MET H H 8.976 0.020 1 685 317 155 MET CA C 55.739 0.3 1 686 317 155 MET CB C 31.717 0.3 1 687 317 155 MET N N 128.448 0.3 1 688 318 156 THR H H 9.084 0.020 1 689 318 156 THR C C 173.331 0.3 1 690 318 156 THR CA C 61.714 0.3 1 691 318 156 THR CB C 68.319 0.3 1 692 318 156 THR N N 119.554 0.3 1 693 319 157 GLN H H 7.363 0.020 1 694 319 157 GLN C C 171.018 0.3 1 695 319 157 GLN CA C 55.076 0.3 1 696 319 157 GLN CB C 30.274 0.3 1 697 319 157 GLN N N 119.941 0.3 1 698 320 158 GLN H H 8.362 0.020 1 699 320 158 GLN C C 173.809 0.3 1 700 320 158 GLN CA C 54.720 0.3 1 701 320 158 GLN CB C 31.835 0.3 1 702 320 158 GLN N N 121.101 0.3 1 703 321 159 VAL H H 9.388 0.020 1 704 321 159 VAL CA C 60.352 0.3 1 705 321 159 VAL CB C 34.335 0.3 1 706 321 159 VAL N N 125.646 0.3 1 707 322 160 GLY H H 8.774 0.020 1 708 322 160 GLY C C 172.799 0.3 1 709 322 160 GLY CA C 45.581 0.3 1 710 322 160 GLY N N 115.572 0.3 1 711 324 162 GLY H H 7.727 0.020 1 712 324 162 GLY CA C 42.953 0.3 1 713 324 162 GLY N N 108.937 0.3 1 714 325 163 ASP H H 8.443 0.020 1 715 325 163 ASP C C 173.916 0.3 1 716 325 163 ASP CA C 54.839 0.3 1 717 325 163 ASP CB C 38.213 0.3 1 718 325 163 ASP N N 117.617 0.3 1 719 326 164 GLY H H 7.996 0.020 1 720 326 164 GLY C C 172.826 0.3 1 721 326 164 GLY CA C 44.687 0.3 1 722 326 164 GLY N N 105.549 0.3 1 723 327 165 ILE H H 8.198 0.020 1 724 327 165 ILE C C 173.995 0.3 1 725 327 165 ILE CA C 59.475 0.3 1 726 327 165 ILE CB C 33.259 0.3 1 727 327 165 ILE N N 125.443 0.3 1 728 328 166 MET H H 9.261 0.020 1 729 328 166 MET C C 173.263 0.3 1 730 328 166 MET CA C 52.758 0.3 1 731 328 166 MET CB C 33.450 0.3 1 732 328 166 MET N N 129.635 0.3 1 733 329 167 ALA H H 9.154 0.020 1 734 329 167 ALA C C 173.331 0.3 1 735 329 167 ALA CA C 49.265 0.3 1 736 329 167 ALA CB C 19.159 0.3 1 737 329 167 ALA N N 125.921 0.3 1 738 330 168 ASP H H 9.325 0.020 1 739 330 168 ASP CA C 53.393 0.3 1 740 330 168 ASP CB C 41.930 0.3 1 741 330 168 ASP N N 126.739 0.3 1 742 331 169 MET H H 8.622 0.020 1 743 331 169 MET CA C 53.091 0.3 1 744 331 169 MET CB C 31.735 0.3 1 745 331 169 MET N N 122.389 0.3 1 746 332 170 TYR H H 8.845 0.020 1 747 332 170 TYR C C 175.218 0.3 1 748 332 170 TYR CA C 55.388 0.3 1 749 332 170 TYR CB C 41.028 0.3 1 750 332 170 TYR N N 119.273 0.3 1 751 333 171 THR H H 9.214 0.020 1 752 333 171 THR C C 172.028 0.3 1 753 333 171 THR CA C 61.791 0.3 1 754 333 171 THR CB C 69.228 0.3 1 755 333 171 THR N N 118.404 0.3 1 756 334 172 LEU H H 9.034 0.020 1 757 334 172 LEU C C 174.125 0.3 1 758 334 172 LEU CA C 52.675 0.3 1 759 334 172 LEU CB C 43.676 0.3 1 760 334 172 LEU N N 132.660 0.3 1 761 335 173 THR H H 9.370 0.020 1 762 335 173 THR C C 171.762 0.3 1 763 335 173 THR CA C 62.285 0.3 1 764 335 173 THR CB C 68.446 0.3 1 765 335 173 THR N N 124.321 0.3 1 766 336 174 ILE H H 9.209 0.020 1 767 336 174 ILE C C 173.357 0.3 1 768 336 174 ILE CA C 60.952 0.3 1 769 336 174 ILE CB C 38.722 0.3 1 770 336 174 ILE N N 128.288 0.3 1 771 337 175 ARG H H 9.098 0.020 1 772 337 175 ARG CA C 54.371 0.3 1 773 337 175 ARG CB C 31.477 0.3 1 774 337 175 ARG N N 129.583 0.3 1 775 338 176 GLU H H 8.333 0.020 1 776 338 176 GLU C C 173.171 0.3 1 777 338 176 GLU CA C 55.081 0.3 1 778 338 176 GLU CB C 31.036 0.3 1 779 338 176 GLU N N 124.869 0.3 1 780 339 177 ALA H H 8.599 0.020 1 781 339 177 ALA C C 177.292 0.3 1 782 339 177 ALA CA C 53.630 0.3 1 783 339 177 ALA CB C 16.809 0.3 1 784 339 177 ALA N N 130.481 0.3 1 785 340 178 GLY H H 8.700 0.020 1 786 340 178 GLY C C 172.268 0.3 1 787 340 178 GLY CA C 44.850 0.3 1 788 340 178 GLY N N 111.967 0.3 1 789 341 179 GLN H H 8.205 0.020 1 790 341 179 GLN CA C 52.070 0.3 1 791 341 179 GLN CB C 29.441 0.3 1 792 341 179 GLN N N 118.925 0.3 1 793 342 180 LYS H H 8.516 0.020 1 794 342 180 LYS C C 175.803 0.3 1 795 342 180 LYS CA C 56.070 0.3 1 796 342 180 LYS CB C 31.261 0.3 1 797 342 180 LYS N N 124.234 0.3 1 798 343 181 THR H H 8.696 0.020 1 799 343 181 THR C C 172.188 0.3 1 800 343 181 THR CA C 63.238 0.3 1 801 343 181 THR CB C 67.938 0.3 1 802 343 181 THR N N 124.480 0.3 1 803 344 182 ILE H H 8.086 0.020 1 804 344 182 ILE CA C 57.329 0.3 1 805 344 182 ILE CB C 38.849 0.3 1 806 344 182 ILE N N 128.929 0.3 1 807 345 183 SER H H 8.778 0.020 1 808 345 183 SER CA C 55.707 0.3 1 809 345 183 SER CB C 63.964 0.3 1 810 345 183 SER N N 122.467 0.3 1 811 346 184 VAL H H 9.735 0.020 1 812 346 184 VAL C C 171.789 0.3 1 813 346 184 VAL CA C 58.662 0.3 1 814 346 184 VAL CB C 35.228 0.3 1 815 346 184 VAL N N 129.203 0.3 1 816 347 185 PRO C C 173.969 0.3 1 817 347 185 PRO CA C 61.610 0.3 1 818 347 185 PRO CB C 31.477 0.3 1 819 348 186 VAL H H 9.348 0.020 1 820 348 186 VAL C C 174.602 0.3 1 821 348 186 VAL CA C 59.315 0.3 1 822 348 186 VAL CB C 33.958 0.3 1 823 348 186 VAL N N 125.461 0.3 1 824 349 187 VAL H H 9.232 0.020 1 825 349 187 VAL C C 171.949 0.3 1 826 349 187 VAL CA C 60.480 0.3 1 827 349 187 VAL CB C 32.605 0.3 1 828 349 187 VAL N N 127.643 0.3 1 829 350 188 HIS H H 9.672 0.020 1 830 350 188 HIS C C 174.481 0.3 1 831 350 188 HIS CA C 51.786 0.3 1 832 350 188 HIS CB C 32.981 0.3 1 833 350 188 HIS N N 127.897 0.3 1 834 351 189 VAL H H 8.061 0.020 1 835 351 189 VAL C C 172.879 0.3 1 836 351 189 VAL CA C 60.716 0.3 1 837 351 189 VAL CB C 28.178 0.3 1 838 351 189 VAL N N 129.950 0.3 1 839 352 190 GLY H H 7.431 0.020 1 840 352 190 GLY C C 173.300 0.3 1 841 352 190 GLY CA C 45.998 0.3 1 842 352 190 GLY N N 113.115 0.3 1 843 353 191 ASN H H 7.792 0.020 1 844 353 191 ASN C C 172.028 0.3 1 845 353 191 ASN CA C 50.749 0.3 1 846 353 191 ASN CB C 35.528 0.3 1 847 353 191 ASN N N 117.871 0.3 1 848 358 196 THR H H 7.338 0.020 1 849 358 196 THR C C 171.428 0.3 1 850 358 196 THR CA C 60.316 0.3 1 851 358 196 THR N N 113.159 0.3 1 852 359 197 ALA H H 8.402 0.020 1 853 359 197 ALA C C 176.547 0.3 1 854 359 197 ALA CA C 51.282 0.3 1 855 359 197 ALA CB C 18.693 0.3 1 856 359 197 ALA N N 126.475 0.3 1 857 360 198 VAL H H 7.362 0.020 1 858 360 198 VAL C C 174.345 0.3 1 859 360 198 VAL CA C 60.908 0.3 1 860 360 198 VAL N N 120.314 0.3 1 861 361 199 SER H H 8.620 0.020 1 862 361 199 SER CA C 57.212 0.3 1 863 361 199 SER CB C 64.953 0.3 1 864 361 199 SER N N 119.783 0.3 1 865 364 202 VAL H H 7.653 0.020 1 866 364 202 VAL C C 176.175 0.3 1 867 364 202 VAL CA C 65.124 0.3 1 868 364 202 VAL CB C 29.823 0.3 1 869 364 202 VAL N N 123.781 0.3 1 870 365 203 THR H H 7.946 0.020 1 871 365 203 THR CA C 67.289 0.3 1 872 365 203 THR CB C 66.220 0.3 1 873 365 203 THR N N 116.730 0.3 1 874 366 204 LYS H H 8.203 0.020 1 875 366 204 LYS C C 177.022 0.3 1 876 366 204 LYS CA C 59.504 0.3 1 877 366 204 LYS CB C 31.176 0.3 1 878 366 204 LYS N N 123.007 0.3 1 879 367 205 ALA H H 7.762 0.020 1 880 367 205 ALA C C 179.525 0.3 1 881 367 205 ALA CA C 54.399 0.3 1 882 367 205 ALA CB C 17.114 0.3 1 883 367 205 ALA N N 123.955 0.3 1 884 369 207 ALA H H 8.568 0.020 1 885 369 207 ALA C C 177.664 0.3 1 886 369 207 ALA CA C 54.974 0.3 1 887 369 207 ALA CB C 16.809 0.3 1 888 369 207 ALA N N 122.644 0.3 1 889 370 208 SER H H 8.135 0.020 1 890 370 208 SER CA C 61.569 0.3 1 891 370 208 SER CB C 62.309 0.3 1 892 370 208 SER N N 114.287 0.3 1 893 371 209 LEU H H 7.874 0.020 1 894 371 209 LEU C C 179.076 0.3 1 895 371 209 LEU CA C 57.462 0.3 1 896 371 209 LEU CB C 40.426 0.3 1 897 371 209 LEU N N 124.424 0.3 1 898 372 210 VAL H H 8.830 0.020 1 899 372 210 VAL C C 175.574 0.3 1 900 372 210 VAL CA C 67.430 0.3 1 901 372 210 VAL CB C 30.349 0.3 1 902 372 210 VAL N N 124.641 0.3 1 903 373 211 ASP H H 8.314 0.020 1 904 373 211 ASP C C 177.637 0.3 1 905 373 211 ASP CA C 57.299 0.3 1 906 373 211 ASP CB C 40.119 0.3 1 907 373 211 ASP N N 120.856 0.3 1 908 374 212 GLN H H 8.598 0.020 1 909 374 212 GLN CA C 58.396 0.3 1 910 374 212 GLN CB C 27.588 0.3 1 911 374 212 GLN N N 120.439 0.3 1 912 375 213 THR H H 8.168 0.020 1 913 375 213 THR CA C 66.427 0.3 1 914 375 213 THR CB C 67.799 0.3 1 915 375 213 THR N N 119.023 0.3 1 916 376 214 ALA H H 8.209 0.020 1 917 376 214 ALA C C 177.717 0.3 1 918 376 214 ALA CA C 53.793 0.3 1 919 376 214 ALA CB C 16.893 0.3 1 920 376 214 ALA N N 123.416 0.3 1 921 377 215 GLU H H 8.381 0.020 1 922 377 215 GLU C C 177.077 0.3 1 923 377 215 GLU CA C 58.596 0.3 1 924 377 215 GLU CB C 28.176 0.3 1 925 377 215 GLU N N 120.179 0.3 1 926 378 216 THR H H 7.952 0.020 1 927 378 216 THR C C 175.378 0.3 1 928 378 216 THR CA C 65.746 0.3 1 929 378 216 THR CB C 67.874 0.3 1 930 378 216 THR N N 116.125 0.3 1 931 379 217 LYS H H 7.560 0.020 1 932 379 217 LYS CA C 56.706 0.3 1 933 379 217 LYS CB C 30.422 0.3 1 934 379 217 LYS N N 122.909 0.3 1 935 380 218 ARG H H 9.120 0.020 1 936 380 218 ARG CA C 60.212 0.3 1 937 380 218 ARG CB C 28.877 0.3 1 938 380 218 ARG N N 121.477 0.3 1 939 381 219 ASN H H 8.272 0.020 1 940 381 219 ASN C C 176.042 0.3 1 941 381 219 ASN CA C 55.112 0.3 1 942 381 219 ASN CB C 37.388 0.3 1 943 381 219 ASN N N 117.225 0.3 1 944 382 220 MET H H 7.608 0.020 1 945 382 220 MET C C 177.106 0.3 1 946 382 220 MET CA C 57.813 0.3 1 947 382 220 MET CB C 30.294 0.3 1 948 382 220 MET N N 121.483 0.3 1 949 383 221 TYR H H 7.801 0.020 1 950 383 221 TYR C C 176.438 0.3 1 951 383 221 TYR CA C 60.767 0.3 1 952 383 221 TYR CB C 37.197 0.3 1 953 383 221 TYR N N 119.936 0.3 1 954 384 222 GLU H H 8.444 0.020 1 955 384 222 GLU C C 177.265 0.3 1 956 384 222 GLU CA C 57.909 0.3 1 957 384 222 GLU CB C 28.559 0.3 1 958 384 222 GLU N N 121.087 0.3 1 959 385 223 SER H H 8.253 0.020 1 960 385 223 SER CA C 59.636 0.3 1 961 385 223 SER CB C 62.610 0.3 1 962 385 223 SER N N 117.650 0.3 1 963 386 224 LYS H H 7.791 0.020 1 964 386 224 LYS C C 175.867 0.3 1 965 386 224 LYS CA C 55.452 0.3 1 966 386 224 LYS CB C 31.063 0.3 1 967 386 224 LYS N N 121.484 0.3 1 968 387 225 GLY H H 8.055 0.020 1 969 387 225 GLY C C 173.171 0.3 1 970 387 225 GLY CA C 45.267 0.3 1 971 387 225 GLY N N 110.563 0.3 1 972 388 226 SER H H 7.909 0.020 1 973 388 226 SER C C 174.565 0.3 1 974 388 226 SER CA C 58.010 0.3 1 975 388 226 SER CB C 63.362 0.3 1 976 388 226 SER N N 115.183 0.3 1 977 390 228 ALA H H 8.184 0.020 1 978 390 228 ALA C C 176.282 0.3 1 979 390 228 ALA CA C 52.823 0.3 1 980 390 228 ALA CB C 17.716 0.3 1 981 390 228 ALA N N 126.404 0.3 1 982 391 229 VAL H H 7.366 0.020 1 983 391 229 VAL C C 174.529 0.3 1 984 391 229 VAL CA C 62.367 0.3 1 985 391 229 VAL CB C 30.817 0.3 1 986 391 229 VAL N N 115.924 0.3 1 987 392 230 ALA H H 7.741 0.020 1 988 392 230 ALA C C 175.006 0.3 1 989 392 230 ALA CA C 51.638 0.3 1 990 392 230 ALA CB C 17.762 0.3 1 991 392 230 ALA N N 125.358 0.3 1 992 393 231 ASP H H 7.589 0.020 1 993 393 231 ASP C C 174.932 0.3 1 994 393 231 ASP CA C 52.568 0.3 1 995 393 231 ASP CB C 40.690 0.3 1 996 393 231 ASP N N 120.572 0.3 1 997 394 232 ASP H H 8.542 0.020 1 998 394 232 ASP C C 176.032 0.3 1 999 394 232 ASP CA C 54.957 0.3 1 1000 394 232 ASP CB C 39.801 0.3 1 1001 394 232 ASP N N 124.955 0.3 1 1002 395 233 SER H H 8.598 0.020 1 1003 395 233 SER CA C 59.427 0.3 1 1004 395 233 SER CB C 62.986 0.3 1 1005 395 233 SER N N 118.279 0.3 1 1006 396 234 LYS H H 7.520 0.020 1 1007 396 234 LYS CA C 54.246 0.3 1 1008 396 234 LYS N N 120.491 0.3 1 1009 397 235 LEU H H 8.763 0.020 1 1010 397 235 LEU C C 175.032 0.3 1 1011 397 235 LEU CA C 55.106 0.3 1 1012 397 235 LEU CB C 37.515 0.3 1 1013 397 235 LEU N N 116.086 0.3 1 1014 398 236 ARG H H 8.272 0.020 1 1015 398 236 ARG C C 173.593 0.3 1 1016 398 236 ARG CA C 53.358 0.3 1 1017 398 236 ARG CB C 30.199 0.3 1 1018 398 236 ARG N N 118.265 0.3 1 1019 399 237 PRO C C 172.457 0.3 1 1020 399 237 PRO CA C 62.990 0.3 1 1021 399 237 PRO CB C 31.481 0.3 1 1022 400 238 VAL H H 8.316 0.020 1 1023 400 238 VAL C C 172.347 0.3 1 1024 400 238 VAL CA C 60.380 0.3 1 1025 400 238 VAL CB C 31.798 0.3 1 1026 400 238 VAL N N 126.126 0.3 1 1027 401 239 ILE H H 8.740 0.020 1 1028 401 239 ILE CA C 58.781 0.3 1 1029 401 239 ILE CB C 40.501 0.3 1 1030 401 239 ILE N N 128.025 0.3 1 1031 402 240 HIS H H 8.325 0.020 1 1032 402 240 HIS C C 171.284 0.3 1 1033 402 240 HIS CA C 55.580 0.3 1 1034 402 240 HIS CB C 33.808 0.3 1 1035 402 240 HIS N N 117.396 0.3 1 1036 403 241 CYS H H 6.643 0.020 1 1037 403 241 CYS C C 173.643 0.3 1 1038 403 241 CYS CA C 54.910 0.3 1 1039 403 241 CYS CB C 27.988 0.3 1 1040 403 241 CYS N N 122.317 0.3 1 1041 404 242 ARG H H 8.717 0.020 1 1042 404 242 ARG C C 174.687 0.3 1 1043 404 242 ARG CA C 58.898 0.3 1 1044 404 242 ARG CB C 29.221 0.3 1 1045 404 242 ARG N N 127.354 0.3 1 1046 406 244 GLY H H 8.946 0.020 1 1047 406 244 GLY C C 173.703 0.3 1 1048 406 244 GLY CA C 47.044 0.3 1 1049 406 244 GLY N N 111.962 0.3 1 1050 407 245 VAL H H 7.545 0.020 1 1051 407 245 VAL C C 173.538 0.3 1 1052 407 245 VAL CA C 59.313 0.3 1 1053 407 245 VAL CB C 33.132 0.3 1 1054 407 245 VAL N N 106.810 0.3 1 1055 409 247 ARG H H 9.178 0.020 1 1056 409 247 ARG C C 175.885 0.3 1 1057 409 247 ARG CA C 59.048 0.3 1 1058 409 247 ARG CB C 28.695 0.3 1 1059 409 247 ARG N N 133.178 0.3 1 1060 410 248 THR H H 8.204 0.020 1 1061 410 248 THR C C 173.337 0.3 1 1062 410 248 THR CA C 66.665 0.3 1 1063 410 248 THR CB C 68.250 0.3 1 1064 410 248 THR N N 114.464 0.3 1 1065 411 249 ALA H H 6.297 0.020 1 1066 411 249 ALA C C 177.077 0.3 1 1067 411 249 ALA CA C 53.861 0.3 1 1068 411 249 ALA CB C 20.348 0.3 1 1069 411 249 ALA N N 121.476 0.3 1 1070 412 250 GLN H H 7.839 0.020 1 1071 412 250 GLN C C 175.372 0.3 1 1072 412 250 GLN CA C 58.662 0.3 1 1073 412 250 GLN CB C 27.792 0.3 1 1074 412 250 GLN N N 119.763 0.3 1 1075 413 251 LEU H H 7.865 0.020 1 1076 413 251 LEU CA C 57.262 0.3 1 1077 413 251 LEU CB C 39.562 0.3 1 1078 413 251 LEU N N 117.755 0.3 1 1079 414 252 ILE H H 8.329 0.020 1 1080 414 252 ILE C C 177.260 0.3 1 1081 414 252 ILE CA C 65.693 0.3 1 1082 414 252 ILE CB C 36.689 0.3 1 1083 414 252 ILE N N 120.059 0.3 1 1084 415 253 GLY H H 8.491 0.020 1 1085 415 253 GLY C C 172.480 0.3 1 1086 415 253 GLY CA C 46.597 0.3 1 1087 415 253 GLY N N 106.840 0.3 1 1088 416 254 ALA H H 7.536 0.020 1 1089 416 254 ALA CA C 54.878 0.3 1 1090 416 254 ALA CB C 18.167 0.3 1 1091 416 254 ALA N N 124.286 0.3 1 1092 417 255 MET H H 8.684 0.020 1 1093 417 255 MET C C 178.305 0.3 1 1094 417 255 MET CA C 59.285 0.3 1 1095 417 255 MET CB C 32.530 0.3 1 1096 417 255 MET N N 120.064 0.3 1 1097 418 256 CYS H H 8.530 0.020 1 1098 418 256 CYS C C 176.680 0.3 1 1099 418 256 CYS CA C 61.018 0.3 1 1100 418 256 CYS CB C 25.988 0.3 1 1101 418 256 CYS N N 120.686 0.3 1 1102 419 257 MET H H 7.502 0.020 1 1103 419 257 MET CA C 57.590 0.3 1 1104 419 257 MET CB C 31.293 0.3 1 1105 419 257 MET N N 116.320 0.3 1 1106 420 258 ASN H H 7.369 0.020 1 1107 420 258 ASN C C 172.932 0.3 1 1108 420 258 ASN CA C 52.438 0.3 1 1109 420 258 ASN CB C 37.982 0.3 1 1110 420 258 ASN N N 118.905 0.3 1 1111 421 259 ASP H H 6.784 0.020 1 1112 421 259 ASP C C 176.802 0.3 1 1113 421 259 ASP CA C 52.260 0.3 1 1114 421 259 ASP CB C 40.501 0.3 1 1115 421 259 ASP N N 120.051 0.3 1 1116 423 261 ARG H H 8.676 0.020 1 1117 423 261 ARG C C 176.095 0.3 1 1118 423 261 ARG CA C 57.079 0.3 1 1119 423 261 ARG CB C 28.319 0.3 1 1120 423 261 ARG N N 122.256 0.3 1 1121 424 262 ASN H H 7.942 0.020 1 1122 424 262 ASN C C 176.813 0.3 1 1123 424 262 ASN CA C 51.553 0.3 1 1124 424 262 ASN CB C 36.967 0.3 1 1125 424 262 ASN N N 117.098 0.3 1 1126 425 263 SER H H 7.347 0.020 1 1127 425 263 SER C C 172.932 0.3 1 1128 425 263 SER CA C 62.041 0.3 1 1129 425 263 SER CB C 62.685 0.3 1 1130 425 263 SER N N 118.905 0.3 1 1131 426 264 GLN H H 8.632 0.020 1 1132 426 264 GLN C C 174.421 0.3 1 1133 426 264 GLN CA C 55.343 0.3 1 1134 426 264 GLN CB C 27.536 0.3 1 1135 426 264 GLN N N 119.038 0.3 1 1136 427 265 LEU H H 7.039 0.020 1 1137 427 265 LEU CA C 54.602 0.3 1 1138 427 265 LEU CB C 41.615 0.3 1 1139 427 265 LEU N N 120.032 0.3 1 1140 428 266 SER H H 8.982 0.020 1 1141 428 266 SER CA C 56.124 0.3 1 1142 428 266 SER CB C 64.762 0.3 1 1143 428 266 SER N N 120.382 0.3 1 1144 429 267 VAL H H 8.218 0.020 1 1145 429 267 VAL C C 175.904 0.3 1 1146 429 267 VAL CA C 66.874 0.3 1 1147 429 267 VAL CB C 29.388 0.3 1 1148 429 267 VAL N N 120.953 0.3 1 1149 436 274 MET H H 7.401 0.020 1 1150 436 274 MET C C 175.883 0.3 1 1151 436 274 MET CA C 60.174 0.3 1 1152 436 274 MET CB C 33.102 0.3 1 1153 436 274 MET N N 115.942 0.3 1 1154 437 275 ARG H H 7.840 0.020 1 1155 437 275 ARG C C 177.159 0.3 1 1156 437 275 ARG CA C 56.765 0.3 1 1157 437 275 ARG CB C 27.988 0.3 1 1158 437 275 ARG N N 116.363 0.3 1 1159 438 276 VAL H H 8.107 0.020 1 1160 438 276 VAL C C 174.819 0.3 1 1161 438 276 VAL CA C 64.062 0.3 1 1162 438 276 VAL CB C 30.349 0.3 1 1163 438 276 VAL N N 117.074 0.3 1 1164 439 277 GLN H H 7.043 0.020 1 1165 439 277 GLN C C 173.464 0.3 1 1166 439 277 GLN CA C 55.504 0.3 1 1167 439 277 GLN CB C 29.447 0.3 1 1168 439 277 GLN N N 114.808 0.3 1 1169 440 278 ARG H H 7.135 0.020 1 1170 440 278 ARG C C 170.495 0.3 1 1171 440 278 ARG CA C 58.751 0.3 1 1172 440 278 ARG CB C 27.416 0.3 1 1173 440 278 ARG N N 120.459 0.3 1 1174 441 279 ASN H H 6.979 0.020 1 1175 441 279 ASN C C 173.676 0.3 1 1176 441 279 ASN CA C 53.835 0.3 1 1177 441 279 ASN CB C 37.008 0.3 1 1178 441 279 ASN N N 109.775 0.3 1 1179 442 280 GLY H H 9.017 0.020 1 1180 442 280 GLY C C 169.131 0.3 1 1181 442 280 GLY CA C 46.217 0.3 1 1182 442 280 GLY N N 103.855 0.3 1 1183 443 281 ILE H H 8.370 0.020 1 1184 443 281 ILE C C 173.730 0.3 1 1185 443 281 ILE CA C 58.010 0.3 1 1186 443 281 ILE CB C 35.165 0.3 1 1187 443 281 ILE N N 118.394 0.3 1 1188 444 282 MET H H 6.611 0.020 1 1189 444 282 MET C C 177.557 0.3 1 1190 444 282 MET CA C 55.772 0.3 1 1191 444 282 MET CB C 30.719 0.3 1 1192 444 282 MET N N 114.921 0.3 1 1193 445 283 VAL H H 8.664 0.020 1 1194 445 283 VAL C C 170.274 0.3 1 1195 445 283 VAL CA C 66.310 0.3 1 1196 445 283 VAL CB C 26.589 0.3 1 1197 445 283 VAL N N 120.839 0.3 1 1198 446 284 GLN H H 7.043 0.020 1 1199 446 284 GLN C C 174.785 0.3 1 1200 446 284 GLN CA C 57.981 0.3 1 1201 446 284 GLN CB C 29.067 0.3 1 1202 446 284 GLN N N 128.360 0.3 1 1203 447 285 LYS H H 7.887 0.020 1 1204 447 285 LYS C C 176.308 0.3 1 1205 447 285 LYS CA C 52.912 0.3 1 1206 447 285 LYS CB C 33.959 0.3 1 1207 447 285 LYS N N 116.150 0.3 1 1208 448 286 ASP H H 9.024 0.020 1 1209 448 286 ASP C C 176.564 0.3 1 1210 448 286 ASP CA C 57.121 0.3 1 1211 448 286 ASP N N 126.162 0.3 1 1212 449 287 GLU H H 9.241 0.020 1 1213 449 287 GLU C C 177.572 0.3 1 1214 449 287 GLU CA C 58.643 0.3 1 1215 449 287 GLU CB C 27.492 0.3 1 1216 449 287 GLU N N 117.866 0.3 1 1217 450 288 GLN H H 6.977 0.020 1 1218 450 288 GLN C C 176.361 0.3 1 1219 450 288 GLN CA C 57.092 0.3 1 1220 450 288 GLN CB C 25.683 0.3 1 1221 450 288 GLN N N 118.654 0.3 1 1222 451 289 LEU H H 6.997 0.020 1 1223 451 289 LEU C C 177.185 0.3 1 1224 451 289 LEU CA C 56.950 0.3 1 1225 451 289 LEU CB C 39.073 0.3 1 1226 451 289 LEU N N 121.653 0.3 1 1227 452 290 ASP H H 8.552 0.020 1 1228 452 290 ASP C C 177.531 0.3 1 1229 452 290 ASP CA C 57.111 0.3 1 1230 452 290 ASP CB C 39.293 0.3 1 1231 452 290 ASP N N 118.518 0.3 1 1232 453 291 VAL H H 7.079 0.020 1 1233 453 291 VAL C C 175.830 0.3 1 1234 453 291 VAL CA C 66.339 0.3 1 1235 453 291 VAL CB C 30.182 0.3 1 1236 453 291 VAL N N 120.741 0.3 1 1237 454 292 LEU H H 7.104 0.020 1 1238 454 292 LEU C C 177.425 0.3 1 1239 454 292 LEU CA C 57.329 0.3 1 1240 454 292 LEU CB C 39.127 0.3 1 1241 454 292 LEU N N 118.467 0.3 1 1242 455 293 ILE H H 8.551 0.020 1 1243 455 293 ILE C C 175.325 0.3 1 1244 455 293 ILE CA C 65.606 0.3 1 1245 455 293 ILE CB C 36.624 0.3 1 1246 455 293 ILE N N 120.450 0.3 1 1247 456 294 LYS H H 8.029 0.020 1 1248 456 294 LYS CA C 58.260 0.3 1 1249 456 294 LYS CB C 30.782 0.3 1 1250 456 294 LYS N N 121.716 0.3 1 1251 457 295 LEU H H 8.236 0.020 1 1252 457 295 LEU C C 178.302 0.3 1 1253 457 295 LEU CA C 56.920 0.3 1 1254 457 295 LEU CB C 40.426 0.3 1 1255 457 295 LEU N N 121.753 0.3 1 1256 458 296 ALA H H 8.151 0.020 1 1257 458 296 ALA CA C 54.699 0.3 1 1258 458 296 ALA CB C 17.565 0.3 1 1259 458 296 ALA N N 123.911 0.3 1 1260 459 297 GLU H H 8.734 0.020 1 1261 459 297 GLU CA C 58.417 0.3 1 1262 459 297 GLU CB C 27.732 0.3 1 1263 459 297 GLU N N 122.504 0.3 1 1264 460 298 GLY H H 7.539 0.020 1 1265 460 298 GLY C C 173.198 0.3 1 1266 460 298 GLY CA C 45.998 0.3 1 1267 460 298 GLY N N 105.914 0.3 1 1268 461 299 GLN H H 7.266 0.020 1 1269 461 299 GLN CA C 54.691 0.3 1 1270 461 299 GLN CB C 28.813 0.3 1 1271 461 299 GLN N N 116.654 0.3 1 1272 462 300 GLY H H 7.782 0.020 1 1273 462 300 GLY C C 172.933 0.3 1 1274 462 300 GLY CA C 46.089 0.3 1 1275 462 300 GLY N N 111.706 0.3 1 1276 463 301 ARG H H 7.939 0.020 1 1277 463 301 ARG C C 173.650 0.3 1 1278 463 301 ARG CA C 52.705 0.3 1 1279 463 301 ARG CB C 31.402 0.3 1 1280 463 301 ARG N N 123.015 0.3 1 1281 464 302 PRO C C 175.482 0.3 1 1282 464 302 PRO CA C 62.476 0.3 1 1283 464 302 PRO CB C 30.876 0.3 1 1284 465 303 LEU H H 8.711 0.020 1 1285 465 303 LEU CA C 56.439 0.3 1 1286 465 303 LEU CB C 41.199 0.3 1 1287 465 303 LEU N N 119.151 0.3 1 1288 466 304 LEU H H 7.504 0.020 1 1289 466 304 LEU C C 175.936 0.3 1 1290 466 304 LEU CA C 52.883 0.3 1 1291 466 304 LEU CB C 43.803 0.3 1 1292 466 304 LEU N N 116.751 0.3 1 1293 467 305 ASN H H 8.661 0.020 1 1294 467 305 ASN C C 173.960 0.3 1 1295 467 305 ASN CA C 52.494 0.3 1 1296 467 305 ASN CB C 37.008 0.3 1 1297 467 305 ASN N N 121.215 0.3 1 1298 468 306 SER H H 8.092 0.020 1 1299 468 306 SER C C 176.999 0.3 1 1300 468 306 SER CA C 59.663 0.3 1 1301 468 306 SER CB C 64.039 0.3 1 1302 468 306 SER N N 124.175 0.3 1 stop_ save_