data_26641 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone assignments for E. coli MurD ; _BMRB_accession_number 26641 _BMRB_flat_file_name bmr26641.str _Entry_type original _Submission_date 2015-08-27 _Accession_date 2015-08-27 _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 Ogura Kenji . . 2 Kumeta Hiroyuki . . 3 Yokochi Masashi . . 4 Inagaki Fuyuhiko . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 371 "15N chemical shifts" 371 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-12-17 original BMRB . stop_ _Original_release_date 2015-12-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Ligand-driven conformational changes of MurD visualized by paramagnetic NMR ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 2015 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Saio Tomohide . . 2 Ogura Kenji . . 3 Kumeta Hiroyuki . . 4 Kobashigawa Yoshihiro . . 5 Shimizu Kazumi . . 6 Yokochi Masashi . . 7 Kodama Kota . . 8 Yamaguchi Hiroto . . 9 Tsujishita Hideki . . 10 Inagaki Fuyuhiko . . stop_ _Journal_abbreviation 'Sci. Rep.' _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 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'MurD monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MurD monomer' $MurD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MurD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MurD _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 441 _Mol_residue_sequence ; HMGSADYQGKNVVIIGLGLT GLSCVDFFLARGVTPRVMDT RMTPPGLDKLPEAVERHTGS LNDEWLMAADLIVASPGIAL AHPSLSAAADAGIEIVGDIE LFCREAQAPIVAITGSNGKS TVTTLVGEMAKAAGVNVGVG GNIGLPALMLLDDECELYVL ELSSFQLETTSSLQAVAATI LNVTEDHMDRYPFGLQQYRA AKLRIYENAKVCVVNADDAL TMPIRGADERCVSFGVNMGD YHLNHQQGETWLRVKGEKVL NVKEMKLSGQHNYTNALAAL ALADAAGLPRASSLKALTTF TGLPHRFEVVLEHNGVRWIN DSKATNVGSTEAALNGLHVD GTLHLLLGGDGKSADFSPLA RYLNGDNVRLYCFGRDGAQL AALRPEVAEQTETMEQAMRL LAPRVQPGDMVLLSPACASL DQFKNFEQRGNEFARLAKEL G ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 HIS 2 -2 MET 3 -1 GLY 4 0 SER 5 1 ALA 6 2 ASP 7 3 TYR 8 4 GLN 9 5 GLY 10 6 LYS 11 7 ASN 12 8 VAL 13 9 VAL 14 10 ILE 15 11 ILE 16 12 GLY 17 13 LEU 18 14 GLY 19 15 LEU 20 16 THR 21 17 GLY 22 18 LEU 23 19 SER 24 20 CYS 25 21 VAL 26 22 ASP 27 23 PHE 28 24 PHE 29 25 LEU 30 26 ALA 31 27 ARG 32 28 GLY 33 29 VAL 34 30 THR 35 31 PRO 36 32 ARG 37 33 VAL 38 34 MET 39 35 ASP 40 36 THR 41 37 ARG 42 38 MET 43 39 THR 44 40 PRO 45 41 PRO 46 42 GLY 47 43 LEU 48 44 ASP 49 45 LYS 50 46 LEU 51 47 PRO 52 48 GLU 53 49 ALA 54 50 VAL 55 51 GLU 56 52 ARG 57 53 HIS 58 54 THR 59 55 GLY 60 56 SER 61 57 LEU 62 58 ASN 63 59 ASP 64 60 GLU 65 61 TRP 66 62 LEU 67 63 MET 68 64 ALA 69 65 ALA 70 66 ASP 71 67 LEU 72 68 ILE 73 69 VAL 74 70 ALA 75 71 SER 76 72 PRO 77 73 GLY 78 74 ILE 79 75 ALA 80 76 LEU 81 77 ALA 82 78 HIS 83 79 PRO 84 80 SER 85 81 LEU 86 82 SER 87 83 ALA 88 84 ALA 89 85 ALA 90 86 ASP 91 87 ALA 92 88 GLY 93 89 ILE 94 90 GLU 95 91 ILE 96 92 VAL 97 93 GLY 98 94 ASP 99 95 ILE 100 96 GLU 101 97 LEU 102 98 PHE 103 99 CYS 104 100 ARG 105 101 GLU 106 102 ALA 107 103 GLN 108 104 ALA 109 105 PRO 110 106 ILE 111 107 VAL 112 108 ALA 113 109 ILE 114 110 THR 115 111 GLY 116 112 SER 117 113 ASN 118 114 GLY 119 115 LYS 120 116 SER 121 117 THR 122 118 VAL 123 119 THR 124 120 THR 125 121 LEU 126 122 VAL 127 123 GLY 128 124 GLU 129 125 MET 130 126 ALA 131 127 LYS 132 128 ALA 133 129 ALA 134 130 GLY 135 131 VAL 136 132 ASN 137 133 VAL 138 134 GLY 139 135 VAL 140 136 GLY 141 137 GLY 142 138 ASN 143 139 ILE 144 140 GLY 145 141 LEU 146 142 PRO 147 143 ALA 148 144 LEU 149 145 MET 150 146 LEU 151 147 LEU 152 148 ASP 153 149 ASP 154 150 GLU 155 151 CYS 156 152 GLU 157 153 LEU 158 154 TYR 159 155 VAL 160 156 LEU 161 157 GLU 162 158 LEU 163 159 SER 164 160 SER 165 161 PHE 166 162 GLN 167 163 LEU 168 164 GLU 169 165 THR 170 166 THR 171 167 SER 172 168 SER 173 169 LEU 174 170 GLN 175 171 ALA 176 172 VAL 177 173 ALA 178 174 ALA 179 175 THR 180 176 ILE 181 177 LEU 182 178 ASN 183 179 VAL 184 180 THR 185 181 GLU 186 182 ASP 187 183 HIS 188 184 MET 189 185 ASP 190 186 ARG 191 187 TYR 192 188 PRO 193 189 PHE 194 190 GLY 195 191 LEU 196 192 GLN 197 193 GLN 198 194 TYR 199 195 ARG 200 196 ALA 201 197 ALA 202 198 LYS 203 199 LEU 204 200 ARG 205 201 ILE 206 202 TYR 207 203 GLU 208 204 ASN 209 205 ALA 210 206 LYS 211 207 VAL 212 208 CYS 213 209 VAL 214 210 VAL 215 211 ASN 216 212 ALA 217 213 ASP 218 214 ASP 219 215 ALA 220 216 LEU 221 217 THR 222 218 MET 223 219 PRO 224 220 ILE 225 221 ARG 226 222 GLY 227 223 ALA 228 224 ASP 229 225 GLU 230 226 ARG 231 227 CYS 232 228 VAL 233 229 SER 234 230 PHE 235 231 GLY 236 232 VAL 237 233 ASN 238 234 MET 239 235 GLY 240 236 ASP 241 237 TYR 242 238 HIS 243 239 LEU 244 240 ASN 245 241 HIS 246 242 GLN 247 243 GLN 248 244 GLY 249 245 GLU 250 246 THR 251 247 TRP 252 248 LEU 253 249 ARG 254 250 VAL 255 251 LYS 256 252 GLY 257 253 GLU 258 254 LYS 259 255 VAL 260 256 LEU 261 257 ASN 262 258 VAL 263 259 LYS 264 260 GLU 265 261 MET 266 262 LYS 267 263 LEU 268 264 SER 269 265 GLY 270 266 GLN 271 267 HIS 272 268 ASN 273 269 TYR 274 270 THR 275 271 ASN 276 272 ALA 277 273 LEU 278 274 ALA 279 275 ALA 280 276 LEU 281 277 ALA 282 278 LEU 283 279 ALA 284 280 ASP 285 281 ALA 286 282 ALA 287 283 GLY 288 284 LEU 289 285 PRO 290 286 ARG 291 287 ALA 292 288 SER 293 289 SER 294 290 LEU 295 291 LYS 296 292 ALA 297 293 LEU 298 294 THR 299 295 THR 300 296 PHE 301 297 THR 302 298 GLY 303 299 LEU 304 300 PRO 305 301 HIS 306 302 ARG 307 303 PHE 308 304 GLU 309 305 VAL 310 306 VAL 311 307 LEU 312 308 GLU 313 309 HIS 314 310 ASN 315 311 GLY 316 312 VAL 317 313 ARG 318 314 TRP 319 315 ILE 320 316 ASN 321 317 ASP 322 318 SER 323 319 LYS 324 320 ALA 325 321 THR 326 322 ASN 327 323 VAL 328 324 GLY 329 325 SER 330 326 THR 331 327 GLU 332 328 ALA 333 329 ALA 334 330 LEU 335 331 ASN 336 332 GLY 337 333 LEU 338 334 HIS 339 335 VAL 340 336 ASP 341 337 GLY 342 338 THR 343 339 LEU 344 340 HIS 345 341 LEU 346 342 LEU 347 343 LEU 348 344 GLY 349 345 GLY 350 346 ASP 351 347 GLY 352 348 LYS 353 349 SER 354 350 ALA 355 351 ASP 356 352 PHE 357 353 SER 358 354 PRO 359 355 LEU 360 356 ALA 361 357 ARG 362 358 TYR 363 359 LEU 364 360 ASN 365 361 GLY 366 362 ASP 367 363 ASN 368 364 VAL 369 365 ARG 370 366 LEU 371 367 TYR 372 368 CYS 373 369 PHE 374 370 GLY 375 371 ARG 376 372 ASP 377 373 GLY 378 374 ALA 379 375 GLN 380 376 LEU 381 377 ALA 382 378 ALA 383 379 LEU 384 380 ARG 385 381 PRO 386 382 GLU 387 383 VAL 388 384 ALA 389 385 GLU 390 386 GLN 391 387 THR 392 388 GLU 393 389 THR 394 390 MET 395 391 GLU 396 392 GLN 397 393 ALA 398 394 MET 399 395 ARG 400 396 LEU 401 397 LEU 402 398 ALA 403 399 PRO 404 400 ARG 405 401 VAL 406 402 GLN 407 403 PRO 408 404 GLY 409 405 ASP 410 406 MET 411 407 VAL 412 408 LEU 413 409 LEU 414 410 SER 415 411 PRO 416 412 ALA 417 413 CYS 418 414 ALA 419 415 SER 420 416 LEU 421 417 ASP 422 418 GLN 423 419 PHE 424 420 LYS 425 421 ASN 426 422 PHE 427 423 GLU 428 424 GLN 429 425 ARG 430 426 GLY 431 427 ASN 432 428 GLU 433 429 PHE 434 430 ALA 435 431 ARG 436 432 LEU 437 433 ALA 438 434 LYS 439 435 GLU 440 436 LEU 441 437 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MurD enterobacteria 562 Bacteria . Escherichia coli 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 _Details $MurD 'recombinant technology' . Escherichia coli . pGBHPS 'Original vector' 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 $MurD 0.5 mM '[U-100% 13C; U-100% 15N; U-100% 2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' Tris-HCl 20 mM 'natural abundance' NaCl 200 mM 'natural abundance' DTT 10 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_OLIVIA _Saveframe_category software _Name OLIVIA _Version . loop_ _Vendor _Address _Electronic_address 'Masashi Yokochi' . http://fermi.pharm.hokudai.ac.jp/olivia/ stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model 'Unity Inova' _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY-HSQC' _Sample_label $sample_1 save_ save_TROSY-HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HN(CO)CA _Sample_label $sample_1 save_ save_TROSY-HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HNCA _Sample_label $sample_1 save_ save_TROSY-HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HNCA _Sample_label $sample_1 save_ save_TROSY-HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HNCO _Sample_label $sample_1 save_ save_TROSY-HN(COCA)CB_6 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HN(COCA)CB _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_TROSY-HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HNCACB _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' 0.2 . M pH 7.2 . pH pressure 1 . atm temperature 308 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N TROSY-HSQC' TROSY-HN(CO)CA TROSY-HNCA TROSY-HNCO TROSY-HN(COCA)CB '3D 1H-15N NOESY' TROSY-HNCACB stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'MurD monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 -2 2 MET H H 8.252 0.005 1 2 -2 2 MET N N 123.570 0.05 1 3 -1 3 GLY H H 8.297 0.005 1 4 -1 3 GLY N N 110.824 0.05 1 5 0 4 SER H H 8.258 0.005 1 6 0 4 SER N N 116.130 0.05 1 7 1 5 ALA H H 8.291 0.005 1 8 1 5 ALA N N 126.673 0.05 1 9 2 6 ASP H H 7.774 0.005 1 10 2 6 ASP N N 120.039 0.05 1 11 3 7 TYR H H 8.477 0.005 1 12 3 7 TYR N N 121.586 0.05 1 13 4 8 GLN H H 7.747 0.005 1 14 4 8 GLN N N 118.201 0.05 1 15 5 9 GLY H H 8.745 0.005 1 16 5 9 GLY N N 112.376 0.05 1 17 6 10 LYS H H 7.651 0.005 1 18 6 10 LYS N N 118.969 0.05 1 19 7 11 ASN H H 10.177 0.005 1 20 7 11 ASN N N 123.356 0.05 1 21 8 12 VAL H H 8.657 0.005 1 22 8 12 VAL N N 128.707 0.05 1 23 9 13 VAL H H 8.513 0.005 1 24 9 13 VAL N N 127.705 0.05 1 25 10 14 ILE H H 8.948 0.005 1 26 10 14 ILE N N 128.214 0.05 1 27 11 15 ILE H H 9.193 0.005 1 28 11 15 ILE N N 126.247 0.05 1 29 12 16 GLY H H 9.184 0.005 1 30 12 16 GLY N N 118.132 0.05 1 31 13 17 LEU H H 9.070 0.005 1 32 13 17 LEU N N 126.819 0.05 1 33 14 18 GLY H H 7.998 0.005 1 34 14 18 GLY N N 111.055 0.05 1 35 17 21 GLY H H 7.715 0.005 1 36 17 21 GLY N N 113.793 0.05 1 37 18 22 LEU H H 8.519 0.005 1 38 18 22 LEU N N 122.597 0.05 1 39 19 23 SER H H 8.282 0.005 1 40 19 23 SER N N 116.048 0.05 1 41 20 24 CYS H H 7.401 0.005 1 42 20 24 CYS N N 122.756 0.05 1 43 21 25 VAL H H 8.281 0.005 1 44 21 25 VAL N N 122.750 0.05 1 45 22 26 ASP H H 8.123 0.005 1 46 22 26 ASP N N 118.708 0.05 1 47 23 27 PHE H H 7.555 0.005 1 48 23 27 PHE N N 121.094 0.05 1 49 24 28 PHE H H 7.918 0.005 1 50 24 28 PHE N N 117.934 0.05 1 51 25 29 LEU H H 8.809 0.005 1 52 25 29 LEU N N 122.590 0.05 1 53 26 30 ALA H H 7.778 0.005 1 54 26 30 ALA N N 120.940 0.05 1 55 27 31 ARG H H 7.368 0.005 1 56 27 31 ARG N N 117.687 0.05 1 57 28 32 GLY H H 7.635 0.005 1 58 28 32 GLY N N 106.917 0.05 1 59 29 33 VAL H H 8.078 0.005 1 60 29 33 VAL N N 123.878 0.05 1 61 30 34 THR H H 8.623 0.005 1 62 30 34 THR N N 123.353 0.05 1 63 32 36 ARG H H 7.935 0.005 1 64 32 36 ARG N N 116.741 0.05 1 65 33 37 VAL H H 8.403 0.005 1 66 33 37 VAL N N 118.495 0.05 1 67 34 38 MET H H 9.130 0.005 1 68 34 38 MET N N 121.714 0.05 1 69 35 39 ASP H H 8.273 0.005 1 70 35 39 ASP N N 121.801 0.05 1 71 36 40 THR H H 8.240 0.005 1 72 36 40 THR N N 116.129 0.05 1 73 37 41 ARG H H 9.285 0.005 1 74 37 41 ARG N N 123.779 0.05 1 75 38 42 MET H H 8.343 0.005 1 76 38 42 MET N N 120.468 0.05 1 77 39 43 THR H H 8.229 0.005 1 78 39 43 THR N N 111.243 0.05 1 79 42 46 GLY H H 8.601 0.005 1 80 42 46 GLY N N 109.895 0.05 1 81 43 47 LEU H H 7.339 0.005 1 82 43 47 LEU N N 121.314 0.05 1 83 44 48 ASP H H 8.562 0.005 1 84 44 48 ASP N N 113.643 0.05 1 85 45 49 LYS H H 7.494 0.005 1 86 45 49 LYS N N 118.280 0.05 1 87 46 50 LEU H H 7.190 0.005 1 88 46 50 LEU N N 121.724 0.05 1 89 48 52 GLU H H 8.611 0.005 1 90 48 52 GLU N N 123.253 0.05 1 91 49 53 ALA H H 7.961 0.005 1 92 49 53 ALA N N 116.834 0.05 1 93 50 54 VAL H H 7.287 0.005 1 94 50 54 VAL N N 117.000 0.05 1 95 51 55 GLU H H 9.357 0.005 1 96 51 55 GLU N N 132.983 0.05 1 97 52 56 ARG H H 8.856 0.005 1 98 52 56 ARG N N 120.896 0.05 1 99 53 57 HIS H H 8.559 0.005 1 100 53 57 HIS N N 124.620 0.05 1 101 54 58 THR H H 7.986 0.005 1 102 54 58 THR N N 116.695 0.05 1 103 55 59 GLY H H 7.461 0.005 1 104 55 59 GLY N N 109.909 0.05 1 105 56 60 SER H H 7.636 0.005 1 106 56 60 SER N N 109.270 0.05 1 107 57 61 LEU H H 8.372 0.005 1 108 57 61 LEU N N 114.499 0.05 1 109 58 62 ASN H H 6.680 0.005 1 110 58 62 ASN N N 121.028 0.05 1 111 59 63 ASP H H 8.364 0.005 1 112 59 63 ASP N N 125.994 0.05 1 113 60 64 GLU H H 7.808 0.005 1 114 60 64 GLU N N 119.977 0.05 1 115 61 65 TRP H H 7.562 0.005 1 116 61 65 TRP N N 118.405 0.05 1 117 62 66 LEU H H 7.464 0.005 1 118 62 66 LEU N N 117.616 0.05 1 119 63 67 MET H H 7.613 0.005 1 120 63 67 MET N N 110.601 0.05 1 121 64 68 ALA H H 7.049 0.005 1 122 64 68 ALA N N 120.541 0.05 1 123 65 69 ALA H H 7.039 0.005 1 124 65 69 ALA N N 122.018 0.05 1 125 66 70 ASP H H 9.405 0.005 1 126 66 70 ASP N N 115.105 0.05 1 127 67 71 LEU H H 7.637 0.005 1 128 67 71 LEU N N 123.067 0.05 1 129 68 72 ILE H H 9.012 0.005 1 130 68 72 ILE N N 128.271 0.05 1 131 69 73 VAL H H 9.164 0.005 1 132 69 73 VAL N N 128.005 0.05 1 133 70 74 ALA H H 9.199 0.005 1 134 70 74 ALA N N 129.825 0.05 1 135 71 75 SER H H 7.683 0.005 1 136 71 75 SER N N 119.816 0.05 1 137 73 77 GLY H H 8.077 0.005 1 138 73 77 GLY N N 106.048 0.05 1 139 74 78 ILE H H 7.349 0.005 1 140 74 78 ILE N N 121.872 0.05 1 141 75 79 ALA H H 8.043 0.005 1 142 75 79 ALA N N 128.500 0.05 1 143 76 80 LEU H H 8.882 0.005 1 144 76 80 LEU N N 123.963 0.05 1 145 77 81 ALA H H 7.275 0.005 1 146 77 81 ALA N N 115.121 0.05 1 147 78 82 HIS H H 7.992 0.005 1 148 78 82 HIS N N 124.770 0.05 1 149 80 84 SER H H 11.106 0.005 1 150 80 84 SER N N 118.888 0.05 1 151 81 85 LEU H H 7.239 0.005 1 152 81 85 LEU N N 121.868 0.05 1 153 82 86 SER H H 9.004 0.005 1 154 82 86 SER N N 119.090 0.05 1 155 83 87 ALA H H 7.579 0.005 1 156 83 87 ALA N N 122.800 0.05 1 157 84 88 ALA H H 7.096 0.005 1 158 84 88 ALA N N 121.725 0.05 1 159 85 89 ALA H H 8.284 0.005 1 160 85 89 ALA N N 121.904 0.05 1 161 86 90 ASP H H 8.433 0.005 1 162 86 90 ASP N N 121.306 0.05 1 163 87 91 ALA H H 7.389 0.005 1 164 87 91 ALA N N 121.026 0.05 1 165 88 92 GLY H H 7.952 0.005 1 166 88 92 GLY N N 107.724 0.05 1 167 89 93 ILE H H 7.621 0.005 1 168 89 93 ILE N N 124.118 0.05 1 169 90 94 GLU H H 7.647 0.005 1 170 90 94 GLU N N 130.046 0.05 1 171 91 95 ILE H H 7.927 0.005 1 172 91 95 ILE N N 127.580 0.05 1 173 92 96 VAL H H 9.217 0.005 1 174 92 96 VAL N N 119.751 0.05 1 175 93 97 GLY H H 6.572 0.005 1 176 93 97 GLY N N 105.398 0.05 1 177 94 98 ASP H H 9.045 0.005 1 178 94 98 ASP N N 119.845 0.05 1 179 95 99 ILE H H 7.314 0.005 1 180 95 99 ILE N N 118.577 0.05 1 181 96 100 GLU H H 7.514 0.005 1 182 96 100 GLU N N 122.879 0.05 1 183 97 101 LEU H H 7.078 0.005 1 184 97 101 LEU N N 115.264 0.05 1 185 98 102 PHE H H 7.936 0.005 1 186 98 102 PHE N N 118.335 0.05 1 187 99 103 CYS H H 8.780 0.005 1 188 99 103 CYS N N 118.688 0.05 1 189 100 104 ARG H H 7.386 0.005 1 190 100 104 ARG N N 116.819 0.05 1 191 101 105 GLU H H 6.939 0.005 1 192 101 105 GLU N N 114.511 0.05 1 193 102 106 ALA H H 7.446 0.005 1 194 102 106 ALA N N 122.720 0.05 1 195 103 107 GLN H H 8.675 0.005 1 196 103 107 GLN N N 120.796 0.05 1 197 104 108 ALA H H 7.042 0.005 1 198 104 108 ALA N N 121.650 0.05 1 199 106 110 ILE H H 8.514 0.005 1 200 106 110 ILE N N 119.758 0.05 1 201 107 111 VAL H H 9.365 0.005 1 202 107 111 VAL N N 129.679 0.05 1 203 108 112 ALA H H 8.549 0.005 1 204 108 112 ALA N N 130.077 0.05 1 205 109 113 ILE H H 8.635 0.005 1 206 109 113 ILE N N 124.505 0.05 1 207 110 114 THR H H 8.213 0.005 1 208 110 114 THR N N 120.671 0.05 1 209 111 115 GLY H H 7.541 0.005 1 210 111 115 GLY N N 109.023 0.05 1 211 112 116 SER H H 8.188 0.005 1 212 112 116 SER N N 120.760 0.05 1 213 113 117 ASN H H 9.584 0.005 1 214 113 117 ASN N N 119.632 0.05 1 215 118 122 VAL H H 7.462 0.005 1 216 118 122 VAL N N 120.170 0.05 1 217 119 123 THR H H 8.064 0.005 1 218 119 123 THR N N 116.554 0.05 1 219 120 124 THR H H 7.679 0.005 1 220 120 124 THR N N 114.836 0.05 1 221 121 125 LEU H H 8.022 0.005 1 222 121 125 LEU N N 123.359 0.05 1 223 122 126 VAL H H 8.397 0.005 1 224 122 126 VAL N N 119.994 0.05 1 225 123 127 GLY H H 7.998 0.005 1 226 123 127 GLY N N 105.762 0.05 1 227 124 128 GLU H H 8.183 0.005 1 228 124 128 GLU N N 121.220 0.05 1 229 125 129 MET H H 8.621 0.005 1 230 125 129 MET N N 123.253 0.05 1 231 126 130 ALA H H 8.216 0.005 1 232 126 130 ALA N N 123.064 0.05 1 233 127 131 LYS H H 8.447 0.005 1 234 127 131 LYS N N 120.255 0.05 1 235 128 132 ALA H H 8.079 0.005 1 236 128 132 ALA N N 122.654 0.05 1 237 129 133 ALA H H 7.181 0.005 1 238 129 133 ALA N N 118.987 0.05 1 239 130 134 GLY H H 7.983 0.005 1 240 130 134 GLY N N 107.802 0.05 1 241 131 135 VAL H H 7.334 0.005 1 242 131 135 VAL N N 121.148 0.05 1 243 132 136 ASN H H 8.962 0.005 1 244 132 136 ASN N N 126.591 0.05 1 245 133 137 VAL H H 7.694 0.005 1 246 133 137 VAL N N 126.977 0.05 1 247 134 138 GLY H H 8.576 0.005 1 248 134 138 GLY N N 117.165 0.05 1 249 135 139 VAL H H 8.385 0.005 1 250 135 139 VAL N N 127.501 0.05 1 251 136 140 GLY H H 8.411 0.005 1 252 136 140 GLY N N 114.635 0.05 1 253 137 141 GLY H H 8.546 0.005 1 254 137 141 GLY N N 109.204 0.05 1 255 139 143 ILE H H 7.164 0.005 1 256 139 143 ILE N N 113.929 0.05 1 257 140 144 GLY H H 7.896 0.005 1 258 140 144 GLY N N 107.386 0.05 1 259 141 145 LEU H H 8.077 0.005 1 260 141 145 LEU N N 126.801 0.05 1 261 143 147 ALA H H 8.928 0.005 1 262 143 147 ALA N N 125.393 0.05 1 263 144 148 LEU H H 9.764 0.005 1 264 144 148 LEU N N 114.277 0.05 1 265 145 149 MET H H 7.936 0.005 1 266 145 149 MET N N 115.315 0.05 1 267 146 150 LEU H H 7.933 0.005 1 268 146 150 LEU N N 117.893 0.05 1 269 147 151 LEU H H 6.675 0.005 1 270 147 151 LEU N N 116.409 0.05 1 271 148 152 ASP H H 7.838 0.005 1 272 148 152 ASP N N 124.140 0.05 1 273 150 154 GLU H H 8.666 0.005 1 274 150 154 GLU N N 117.372 0.05 1 275 151 155 CYS H H 7.645 0.005 1 276 151 155 CYS N N 120.504 0.05 1 277 152 156 GLU H H 8.655 0.005 1 278 152 156 GLU N N 124.896 0.05 1 279 153 157 LEU H H 7.392 0.005 1 280 153 157 LEU N N 122.091 0.05 1 281 154 158 TYR H H 9.121 0.005 1 282 154 158 TYR N N 125.520 0.05 1 283 155 159 VAL H H 9.169 0.005 1 284 155 159 VAL N N 124.260 0.05 1 285 156 160 LEU H H 8.886 0.005 1 286 156 160 LEU N N 123.531 0.05 1 287 157 161 GLU H H 8.224 0.005 1 288 157 161 GLU N N 124.109 0.05 1 289 158 162 LEU H H 8.990 0.005 1 290 158 162 LEU N N 126.878 0.05 1 291 159 163 SER H H 9.680 0.005 1 292 159 163 SER N N 119.117 0.05 1 293 160 164 SER H H 8.357 0.005 1 294 160 164 SER N N 117.829 0.05 1 295 161 165 PHE H H 6.320 0.005 1 296 161 165 PHE N N 120.117 0.05 1 297 162 166 GLN H H 7.782 0.005 1 298 162 166 GLN N N 117.577 0.05 1 299 163 167 LEU H H 8.035 0.005 1 300 163 167 LEU N N 120.657 0.05 1 301 164 168 GLU H H 7.736 0.005 1 302 164 168 GLU N N 117.933 0.05 1 303 165 169 THR H H 7.023 0.005 1 304 165 169 THR N N 102.665 0.05 1 305 166 170 THR H H 7.684 0.005 1 306 166 170 THR N N 120.750 0.05 1 307 167 171 SER H H 9.362 0.005 1 308 167 171 SER N N 124.206 0.05 1 309 168 172 SER H H 10.174 0.005 1 310 168 172 SER N N 121.166 0.05 1 311 169 173 LEU H H 7.220 0.005 1 312 169 173 LEU N N 123.774 0.05 1 313 170 174 GLN H H 8.614 0.005 1 314 170 174 GLN N N 130.120 0.05 1 315 171 175 ALA H H 8.612 0.005 1 316 171 175 ALA N N 126.274 0.05 1 317 172 176 VAL H H 9.053 0.005 1 318 172 176 VAL N N 122.924 0.05 1 319 173 177 ALA H H 6.953 0.005 1 320 173 177 ALA N N 118.999 0.05 1 321 174 178 ALA H H 8.418 0.005 1 322 174 178 ALA N N 124.715 0.05 1 323 175 179 THR H H 7.891 0.005 1 324 175 179 THR N N 113.987 0.05 1 325 176 180 ILE H H 6.863 0.005 1 326 176 180 ILE N N 127.025 0.05 1 327 177 181 LEU H H 8.592 0.005 1 328 177 181 LEU N N 120.939 0.05 1 329 178 182 ASN H H 7.288 0.005 1 330 178 182 ASN N N 107.839 0.05 1 331 179 183 VAL H H 8.904 0.005 1 332 179 183 VAL N N 120.900 0.05 1 333 180 184 THR H H 8.952 0.005 1 334 180 184 THR N N 119.135 0.05 1 335 181 185 GLU H H 8.238 0.005 1 336 181 185 GLU N N 119.340 0.05 1 337 182 186 ASP H H 7.583 0.005 1 338 182 186 ASP N N 123.105 0.05 1 339 183 187 HIS H H 8.540 0.005 1 340 183 187 HIS N N 114.840 0.05 1 341 184 188 MET H H 8.387 0.005 1 342 184 188 MET N N 119.479 0.05 1 343 186 190 ARG H H 7.693 0.005 1 344 186 190 ARG N N 118.421 0.05 1 345 187 191 TYR H H 7.471 0.005 1 346 187 191 TYR N N 118.772 0.05 1 347 189 193 PHE H H 8.556 0.005 1 348 189 193 PHE N N 116.112 0.05 1 349 190 194 GLY H H 8.251 0.005 1 350 190 194 GLY N N 108.928 0.05 1 351 191 195 LEU H H 8.679 0.005 1 352 191 195 LEU N N 123.231 0.05 1 353 192 196 GLN H H 8.881 0.005 1 354 192 196 GLN N N 114.734 0.05 1 355 193 197 GLN H H 7.415 0.005 1 356 193 197 GLN N N 123.296 0.05 1 357 194 198 TYR H H 7.466 0.005 1 358 194 198 TYR N N 123.528 0.05 1 359 195 199 ARG H H 8.624 0.005 1 360 195 199 ARG N N 116.820 0.05 1 361 196 200 ALA H H 7.610 0.005 1 362 196 200 ALA N N 118.498 0.05 1 363 197 201 ALA H H 7.115 0.005 1 364 197 201 ALA N N 120.104 0.05 1 365 198 202 LYS H H 6.685 0.005 1 366 198 202 LYS N N 113.503 0.05 1 367 199 203 LEU H H 8.386 0.005 1 368 199 203 LEU N N 116.896 0.05 1 369 200 204 ARG H H 7.103 0.005 1 370 200 204 ARG N N 120.120 0.05 1 371 201 205 ILE H H 7.959 0.005 1 372 201 205 ILE N N 120.193 0.05 1 373 202 206 TYR H H 6.853 0.005 1 374 202 206 TYR N N 115.761 0.05 1 375 203 207 GLU H H 7.444 0.005 1 376 203 207 GLU N N 122.927 0.05 1 377 204 208 ASN H H 8.927 0.005 1 378 204 208 ASN N N 116.947 0.05 1 379 205 209 ALA H H 7.379 0.005 1 380 205 209 ALA N N 122.083 0.05 1 381 206 210 LYS H H 8.490 0.005 1 382 206 210 LYS N N 123.143 0.05 1 383 207 211 VAL H H 6.822 0.005 1 384 207 211 VAL N N 116.546 0.05 1 385 208 212 CYS H H 7.964 0.005 1 386 208 212 CYS N N 124.551 0.05 1 387 209 213 VAL H H 9.516 0.005 1 388 209 213 VAL N N 127.860 0.05 1 389 210 214 VAL H H 8.842 0.005 1 390 210 214 VAL N N 121.843 0.05 1 391 211 215 ASN H H 7.986 0.005 1 392 211 215 ASN N N 119.067 0.05 1 393 212 216 ALA H H 9.761 0.005 1 394 212 216 ALA N N 128.133 0.05 1 395 213 217 ASP H H 8.248 0.005 1 396 213 217 ASP N N 113.365 0.05 1 397 214 218 ASP H H 7.451 0.005 1 398 214 218 ASP N N 120.153 0.05 1 399 215 219 ALA H H 8.914 0.005 1 400 215 219 ALA N N 129.198 0.05 1 401 216 220 LEU H H 8.292 0.005 1 402 216 220 LEU N N 116.543 0.05 1 403 217 221 THR H H 7.950 0.005 1 404 217 221 THR N N 108.194 0.05 1 405 218 222 MET H H 6.962 0.005 1 406 218 222 MET N N 120.175 0.05 1 407 220 224 ILE H H 8.331 0.005 1 408 220 224 ILE N N 123.436 0.05 1 409 221 225 ARG H H 8.124 0.005 1 410 221 225 ARG N N 118.423 0.05 1 411 222 226 GLY H H 7.816 0.005 1 412 222 226 GLY N N 108.714 0.05 1 413 223 227 ALA H H 8.284 0.005 1 414 223 227 ALA N N 121.671 0.05 1 415 224 228 ASP H H 7.521 0.005 1 416 224 228 ASP N N 121.388 0.05 1 417 225 229 GLU H H 9.078 0.005 1 418 225 229 GLU N N 118.714 0.05 1 419 226 230 ARG H H 8.488 0.005 1 420 226 230 ARG N N 119.289 0.05 1 421 227 231 CYS H H 7.618 0.005 1 422 227 231 CYS N N 115.420 0.05 1 423 228 232 VAL H H 9.174 0.005 1 424 228 232 VAL N N 126.527 0.05 1 425 229 233 SER H H 9.502 0.005 1 426 229 233 SER N N 120.588 0.05 1 427 230 234 PHE H H 8.815 0.005 1 428 230 234 PHE N N 118.010 0.05 1 429 231 235 GLY H H 8.770 0.005 1 430 231 235 GLY N N 108.369 0.05 1 431 232 236 VAL H H 8.954 0.005 1 432 232 236 VAL N N 118.034 0.05 1 433 233 237 ASN H H 9.221 0.005 1 434 233 237 ASN N N 113.988 0.05 1 435 234 238 MET H H 7.514 0.005 1 436 234 238 MET N N 117.380 0.05 1 437 235 239 GLY H H 7.495 0.005 1 438 235 239 GLY N N 104.210 0.05 1 439 236 240 ASP H H 8.292 0.005 1 440 236 240 ASP N N 123.606 0.05 1 441 237 241 TYR H H 8.755 0.005 1 442 237 241 TYR N N 121.378 0.05 1 443 238 242 HIS H H 8.897 0.005 1 444 238 242 HIS N N 119.792 0.05 1 445 240 244 ASN H H 8.999 0.005 1 446 240 244 ASN N N 121.297 0.05 1 447 242 246 GLN H H 8.842 0.005 1 448 242 246 GLN N N 124.338 0.05 1 449 244 248 GLY H H 8.271 0.005 1 450 244 248 GLY N N 105.754 0.05 1 451 245 249 GLU H H 7.642 0.005 1 452 245 249 GLU N N 120.057 0.05 1 453 246 250 THR H H 8.973 0.005 1 454 246 250 THR N N 119.664 0.05 1 455 247 251 TRP H H 9.035 0.005 1 456 247 251 TRP N N 125.544 0.05 1 457 248 252 LEU H H 9.045 0.005 1 458 248 252 LEU N N 119.619 0.05 1 459 249 253 ARG H H 9.239 0.005 1 460 249 253 ARG N N 127.753 0.05 1 461 250 254 VAL H H 8.448 0.005 1 462 250 254 VAL N N 122.903 0.05 1 463 251 255 LYS H H 9.515 0.005 1 464 251 255 LYS N N 128.699 0.05 1 465 252 256 GLY H H 8.247 0.005 1 466 252 256 GLY N N 104.173 0.05 1 467 253 257 GLU H H 7.745 0.005 1 468 253 257 GLU N N 121.738 0.05 1 469 254 258 LYS H H 8.604 0.005 1 470 254 258 LYS N N 126.290 0.05 1 471 255 259 VAL H H 8.577 0.005 1 472 255 259 VAL N N 118.293 0.05 1 473 256 260 LEU H H 7.101 0.005 1 474 256 260 LEU N N 118.722 0.05 1 475 257 261 ASN H H 8.946 0.005 1 476 257 261 ASN N N 130.459 0.05 1 477 258 262 VAL H H 8.150 0.005 1 478 258 262 VAL N N 121.656 0.05 1 479 259 263 LYS H H 8.680 0.005 1 480 259 263 LYS N N 122.649 0.05 1 481 260 264 GLU H H 7.918 0.005 1 482 260 264 GLU N N 116.775 0.05 1 483 261 265 MET H H 7.435 0.005 1 484 261 265 MET N N 115.472 0.05 1 485 262 266 LYS H H 8.873 0.005 1 486 262 266 LYS N N 119.891 0.05 1 487 263 267 LEU H H 7.162 0.005 1 488 263 267 LEU N N 118.231 0.05 1 489 264 268 SER H H 8.071 0.005 1 490 264 268 SER N N 114.234 0.05 1 491 265 269 GLY H H 7.207 0.005 1 492 265 269 GLY N N 109.296 0.05 1 493 269 273 TYR H H 7.857 0.005 1 494 269 273 TYR N N 121.396 0.05 1 495 270 274 THR H H 8.498 0.005 1 496 270 274 THR N N 111.739 0.05 1 497 271 275 ASN H H 7.699 0.005 1 498 271 275 ASN N N 121.324 0.05 1 499 272 276 ALA H H 7.781 0.005 1 500 272 276 ALA N N 122.009 0.05 1 501 273 277 LEU H H 7.544 0.005 1 502 273 277 LEU N N 117.561 0.05 1 503 274 278 ALA H H 7.472 0.005 1 504 274 278 ALA N N 120.203 0.05 1 505 275 279 ALA H H 7.717 0.005 1 506 275 279 ALA N N 116.577 0.05 1 507 276 280 LEU H H 8.080 0.005 1 508 276 280 LEU N N 118.406 0.05 1 509 277 281 ALA H H 7.879 0.005 1 510 277 281 ALA N N 121.446 0.05 1 511 278 282 LEU H H 7.869 0.005 1 512 278 282 LEU N N 120.182 0.05 1 513 280 284 ASP H H 9.041 0.005 1 514 280 284 ASP N N 118.313 0.05 1 515 281 285 ALA H H 7.839 0.005 1 516 281 285 ALA N N 124.018 0.05 1 517 282 286 ALA H H 8.050 0.005 1 518 282 286 ALA N N 119.340 0.05 1 519 283 287 GLY H H 7.636 0.005 1 520 283 287 GLY N N 105.783 0.05 1 521 284 288 LEU H H 7.971 0.005 1 522 284 288 LEU N N 122.010 0.05 1 523 286 290 ARG H H 8.379 0.005 1 524 286 290 ARG N N 125.827 0.05 1 525 287 291 ALA H H 8.797 0.005 1 526 287 291 ALA N N 118.366 0.05 1 527 288 292 SER H H 7.151 0.005 1 528 288 292 SER N N 109.828 0.05 1 529 289 293 SER H H 7.924 0.005 1 530 289 293 SER N N 123.624 0.05 1 531 290 294 LEU H H 8.441 0.005 1 532 290 294 LEU N N 119.421 0.05 1 533 291 295 LYS H H 7.378 0.005 1 534 291 295 LYS N N 119.697 0.05 1 535 292 296 ALA H H 7.816 0.005 1 536 292 296 ALA N N 122.228 0.05 1 537 293 297 LEU H H 7.538 0.005 1 538 293 297 LEU N N 116.151 0.05 1 539 294 298 THR H H 7.847 0.005 1 540 294 298 THR N N 108.712 0.05 1 541 295 299 THR H H 7.359 0.005 1 542 295 299 THR N N 110.013 0.05 1 543 296 300 PHE H H 7.608 0.005 1 544 296 300 PHE N N 123.785 0.05 1 545 305 309 VAL H H 9.101 0.005 1 546 305 309 VAL N N 130.641 0.05 1 547 307 311 LEU H H 7.398 0.005 1 548 307 311 LEU N N 119.847 0.05 1 549 308 312 GLU H H 8.605 0.005 1 550 308 312 GLU N N 128.207 0.05 1 551 309 313 HIS H H 8.555 0.005 1 552 309 313 HIS N N 123.000 0.05 1 553 311 315 GLY H H 8.594 0.005 1 554 311 315 GLY N N 101.800 0.05 1 555 312 316 VAL H H 7.730 0.005 1 556 312 316 VAL N N 125.328 0.05 1 557 313 317 ARG H H 7.241 0.005 1 558 313 317 ARG N N 124.667 0.05 1 559 314 318 TRP H H 9.146 0.005 1 560 314 318 TRP N N 126.317 0.05 1 561 315 319 ILE H H 9.718 0.005 1 562 315 319 ILE N N 124.940 0.05 1 563 323 327 VAL H H 8.723 0.005 1 564 323 327 VAL N N 121.025 0.05 1 565 324 328 GLY H H 8.721 0.005 1 566 324 328 GLY N N 107.011 0.05 1 567 325 329 SER H H 8.103 0.005 1 568 325 329 SER N N 118.101 0.05 1 569 331 335 ASN H H 7.594 0.005 1 570 331 335 ASN N N 119.475 0.05 1 571 333 337 LEU H H 7.237 0.005 1 572 333 337 LEU N N 123.034 0.05 1 573 335 339 VAL H H 8.143 0.005 1 574 335 339 VAL N N 126.328 0.05 1 575 336 340 ASP H H 8.907 0.005 1 576 336 340 ASP N N 127.714 0.05 1 577 337 341 GLY H H 7.186 0.005 1 578 337 341 GLY N N 108.080 0.05 1 579 338 342 THR H H 9.100 0.005 1 580 338 342 THR N N 125.388 0.05 1 581 339 343 LEU H H 8.443 0.005 1 582 339 343 LEU N N 128.420 0.05 1 583 340 344 HIS H H 9.206 0.005 1 584 340 344 HIS N N 129.053 0.05 1 585 341 345 LEU H H 9.067 0.005 1 586 341 345 LEU N N 127.293 0.05 1 587 342 346 LEU H H 8.755 0.005 1 588 342 346 LEU N N 129.138 0.05 1 589 344 348 GLY H H 7.733 0.005 1 590 344 348 GLY N N 107.050 0.05 1 591 345 349 GLY H H 6.329 0.005 1 592 345 349 GLY N N 103.006 0.05 1 593 346 350 ASP H H 7.966 0.005 1 594 346 350 ASP N N 121.031 0.05 1 595 347 351 GLY H H 10.293 0.005 1 596 347 351 GLY N N 116.778 0.05 1 597 348 352 LYS H H 8.773 0.005 1 598 348 352 LYS N N 117.156 0.05 1 599 349 353 SER H H 8.946 0.005 1 600 349 353 SER N N 110.861 0.05 1 601 350 354 ALA H H 7.305 0.005 1 602 350 354 ALA N N 122.442 0.05 1 603 351 355 ASP H H 7.882 0.005 1 604 351 355 ASP N N 117.540 0.05 1 605 352 356 PHE H H 8.338 0.005 1 606 352 356 PHE N N 123.519 0.05 1 607 353 357 SER H H 8.454 0.005 1 608 353 357 SER N N 117.406 0.05 1 609 356 360 ALA H H 7.751 0.005 1 610 356 360 ALA N N 119.001 0.05 1 611 357 361 ARG H H 7.373 0.005 1 612 357 361 ARG N N 114.468 0.05 1 613 358 362 TYR H H 7.346 0.005 1 614 358 362 TYR N N 116.814 0.05 1 615 359 363 LEU H H 7.295 0.005 1 616 359 363 LEU N N 118.331 0.05 1 617 360 364 ASN H H 7.725 0.005 1 618 360 364 ASN N N 115.888 0.05 1 619 361 365 GLY H H 8.307 0.005 1 620 361 365 GLY N N 108.395 0.05 1 621 363 367 ASN H H 8.434 0.005 1 622 363 367 ASN N N 118.005 0.05 1 623 364 368 VAL H H 7.235 0.005 1 624 364 368 VAL N N 118.666 0.05 1 625 365 369 ARG H H 8.865 0.005 1 626 365 369 ARG N N 125.959 0.05 1 627 366 370 LEU H H 8.034 0.005 1 628 366 370 LEU N N 120.363 0.05 1 629 367 371 TYR H H 9.183 0.005 1 630 367 371 TYR N N 125.741 0.05 1 631 368 372 CYS H H 8.736 0.005 1 632 368 372 CYS N N 122.590 0.05 1 633 369 373 PHE H H 8.402 0.005 1 634 369 373 PHE N N 120.355 0.05 1 635 370 374 GLY H H 7.475 0.005 1 636 370 374 GLY N N 102.467 0.05 1 637 371 375 ARG H H 8.812 0.005 1 638 371 375 ARG N N 122.869 0.05 1 639 372 376 ASP H H 8.603 0.005 1 640 372 376 ASP N N 115.667 0.05 1 641 373 377 GLY H H 7.574 0.005 1 642 373 377 GLY N N 107.734 0.05 1 643 374 378 ALA H H 8.764 0.005 1 644 374 378 ALA N N 121.968 0.05 1 645 375 379 GLN H H 7.513 0.005 1 646 375 379 GLN N N 117.606 0.05 1 647 376 380 LEU H H 7.128 0.005 1 648 376 380 LEU N N 121.410 0.05 1 649 377 381 ALA H H 7.878 0.005 1 650 377 381 ALA N N 121.941 0.05 1 651 378 382 ALA H H 6.819 0.005 1 652 378 382 ALA N N 114.716 0.05 1 653 379 383 LEU H H 7.433 0.005 1 654 379 383 LEU N N 118.631 0.05 1 655 380 384 ARG H H 6.727 0.005 1 656 380 384 ARG N N 112.859 0.05 1 657 382 386 GLU H H 9.401 0.005 1 658 382 386 GLU N N 116.527 0.05 1 659 383 387 VAL H H 7.268 0.005 1 660 383 387 VAL N N 110.127 0.05 1 661 384 388 ALA H H 7.284 0.005 1 662 384 388 ALA N N 124.949 0.05 1 663 385 389 GLU H H 8.105 0.005 1 664 385 389 GLU N N 121.251 0.05 1 665 386 390 GLN H H 8.679 0.005 1 666 386 390 GLN N N 123.148 0.05 1 667 387 391 THR H H 9.093 0.005 1 668 387 391 THR N N 116.995 0.05 1 669 388 392 GLU H H 8.414 0.005 1 670 388 392 GLU N N 120.451 0.05 1 671 389 393 THR H H 8.197 0.005 1 672 389 393 THR N N 107.725 0.05 1 673 390 394 MET H H 9.956 0.005 1 674 390 394 MET N N 127.266 0.05 1 675 391 395 GLU H H 8.645 0.005 1 676 391 395 GLU N N 119.908 0.05 1 677 392 396 GLN H H 7.646 0.005 1 678 392 396 GLN N N 116.889 0.05 1 679 393 397 ALA H H 7.337 0.005 1 680 393 397 ALA N N 122.817 0.05 1 681 394 398 MET H H 8.313 0.005 1 682 394 398 MET N N 116.393 0.05 1 683 395 399 ARG H H 8.155 0.005 1 684 395 399 ARG N N 116.953 0.05 1 685 396 400 LEU H H 7.477 0.005 1 686 396 400 LEU N N 120.632 0.05 1 687 397 401 LEU H H 7.653 0.005 1 688 397 401 LEU N N 116.661 0.05 1 689 398 402 ALA H H 7.842 0.005 1 690 398 402 ALA N N 124.101 0.05 1 691 400 404 ARG H H 8.015 0.005 1 692 400 404 ARG N N 115.308 0.05 1 693 401 405 VAL H H 6.813 0.005 1 694 401 405 VAL N N 114.157 0.05 1 695 402 406 GLN H H 8.452 0.005 1 696 402 406 GLN N N 123.837 0.05 1 697 404 408 GLY H H 8.678 0.005 1 698 404 408 GLY N N 115.116 0.05 1 699 405 409 ASP H H 8.303 0.005 1 700 405 409 ASP N N 122.427 0.05 1 701 406 410 MET H H 8.299 0.005 1 702 406 410 MET N N 119.241 0.05 1 703 407 411 VAL H H 8.805 0.005 1 704 407 411 VAL N N 127.998 0.05 1 705 408 412 LEU H H 8.919 0.005 1 706 408 412 LEU N N 129.398 0.05 1 707 409 413 LEU H H 8.194 0.005 1 708 409 413 LEU N N 128.486 0.05 1 709 410 414 SER H H 6.497 0.005 1 710 410 414 SER N N 120.200 0.05 1 711 412 416 ALA H H 7.395 0.005 1 712 412 416 ALA N N 114.071 0.05 1 713 413 417 CYS H H 6.441 0.005 1 714 413 417 CYS N N 109.081 0.05 1 715 414 418 ALA H H 8.438 0.005 1 716 414 418 ALA N N 126.031 0.05 1 717 417 421 ASP H H 9.747 0.005 1 718 417 421 ASP N N 118.507 0.05 1 719 419 423 PHE H H 8.660 0.005 1 720 419 423 PHE N N 118.412 0.05 1 721 421 425 ASN H H 7.185 0.005 1 722 421 425 ASN N N 106.404 0.05 1 723 426 430 GLY H H 7.679 0.005 1 724 426 430 GLY N N 106.857 0.05 1 725 428 432 GLU H H 8.417 0.005 1 726 428 432 GLU N N 123.489 0.05 1 727 429 433 PHE H H 7.978 0.005 1 728 429 433 PHE N N 121.419 0.05 1 729 431 435 ARG H H 7.877 0.005 1 730 431 435 ARG N N 118.632 0.05 1 731 432 436 LEU H H 7.999 0.005 1 732 432 436 LEU N N 120.680 0.05 1 733 433 437 ALA H H 8.375 0.005 1 734 433 437 ALA N N 123.226 0.05 1 735 434 438 LYS H H 6.875 0.005 1 736 434 438 LYS N N 112.986 0.05 1 737 435 439 GLU H H 7.187 0.005 1 738 435 439 GLU N N 118.352 0.05 1 739 436 440 LEU H H 7.753 0.005 1 740 436 440 LEU N N 117.601 0.05 1 741 437 441 GLY H H 7.674 0.005 1 742 437 441 GLY N N 115.025 0.05 1 stop_ save_