data_7133 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H and 15N Chemical Shift Assignments for the CheA P4 domain from Thermotoga maritima, in the context of a P3P4 construct ; _BMRB_accession_number 7133 _BMRB_flat_file_name bmr7133.str _Entry_type original _Submission_date 2006-05-25 _Accession_date 2006-05-26 _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 Hamel Damon J. . 2 Zhou Hongjun . . 3 Starich Mary R. . 4 Byrd Andrew R. . 5 Dahlquist Frederick W. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 115 "15N chemical shifts" 115 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2006-10-30 original author . stop_ _Original_release_date 2006-10-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Chemical-shift-perturbation mapping of the phosphotransfer and catalytic domain interaction in the histidine autokinase CheA from Thermotoga maritima' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16878985 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hamel Damon J. . 2 Zhou Hongjun . . 3 Starich Mary R. . 4 Byrd Andrew R. . 5 Dahlquist Frederick W. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 45 _Journal_issue 31 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 9509 _Page_last 9517 _Year 2006 _Details . loop_ _Keyword CheA NMR P3P4 stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'CheA P3P4 domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'CheA P3P4' $CheA_dimerization_and_catalytic_domains stop_ _System_molecular_weight 28327 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'not present' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'CheA P3P4' stop_ _Database_query_date . _Details 'CheA P3 and P4 domains(residues 290-540) from Thermotoga maritima' save_ ######################## # Monomeric polymers # ######################## save_CheA_dimerization_and_catalytic_domains _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common P3P4 _Molecular_mass 28327 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 259 _Mol_residue_sequence ; KVISQTVRVDIEKLDNLMDL MGELVIARSRILETLKKYNI KELDESLSHLSRITLDLQNV VMKIRMVPISFVFNRFPRMV RDLAKKMNKEVNFIMRGEDT ELDRTFVEEIGEPLLHLLRN AIDHGIEPKEERIAKGKPPI GTLILSARHEGNNVVIEVED DGRGIDKEKIIRKAIEKGLI DESKAATLSDQEILNFLFVP GFSTKEKVSEVSGRGVGMDV VKNVVESLNGSISIESEKDK GTKVTIRLPLTLEHHHHHH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 290 LYS 2 291 VAL 3 292 ILE 4 293 SER 5 294 GLN 6 295 THR 7 296 VAL 8 297 ARG 9 298 VAL 10 299 ASP 11 300 ILE 12 301 GLU 13 302 LYS 14 303 LEU 15 304 ASP 16 305 ASN 17 306 LEU 18 307 MET 19 308 ASP 20 309 LEU 21 310 MET 22 311 GLY 23 312 GLU 24 313 LEU 25 314 VAL 26 315 ILE 27 316 ALA 28 317 ARG 29 318 SER 30 319 ARG 31 320 ILE 32 321 LEU 33 322 GLU 34 323 THR 35 324 LEU 36 325 LYS 37 326 LYS 38 327 TYR 39 328 ASN 40 329 ILE 41 330 LYS 42 331 GLU 43 332 LEU 44 333 ASP 45 334 GLU 46 335 SER 47 336 LEU 48 337 SER 49 338 HIS 50 339 LEU 51 340 SER 52 341 ARG 53 342 ILE 54 343 THR 55 344 LEU 56 345 ASP 57 346 LEU 58 347 GLN 59 348 ASN 60 349 VAL 61 350 VAL 62 351 MET 63 352 LYS 64 353 ILE 65 354 ARG 66 355 MET 67 356 VAL 68 357 PRO 69 358 ILE 70 359 SER 71 360 PHE 72 361 VAL 73 362 PHE 74 363 ASN 75 364 ARG 76 365 PHE 77 366 PRO 78 367 ARG 79 368 MET 80 369 VAL 81 370 ARG 82 371 ASP 83 372 LEU 84 373 ALA 85 374 LYS 86 375 LYS 87 376 MET 88 377 ASN 89 378 LYS 90 379 GLU 91 380 VAL 92 381 ASN 93 382 PHE 94 383 ILE 95 384 MET 96 385 ARG 97 386 GLY 98 387 GLU 99 388 ASP 100 389 THR 101 390 GLU 102 391 LEU 103 392 ASP 104 393 ARG 105 394 THR 106 395 PHE 107 396 VAL 108 397 GLU 109 398 GLU 110 399 ILE 111 400 GLY 112 401 GLU 113 402 PRO 114 403 LEU 115 404 LEU 116 405 HIS 117 406 LEU 118 407 LEU 119 408 ARG 120 409 ASN 121 410 ALA 122 411 ILE 123 412 ASP 124 413 HIS 125 414 GLY 126 415 ILE 127 416 GLU 128 417 PRO 129 418 LYS 130 419 GLU 131 420 GLU 132 421 ARG 133 422 ILE 134 423 ALA 135 424 LYS 136 425 GLY 137 426 LYS 138 427 PRO 139 428 PRO 140 429 ILE 141 430 GLY 142 431 THR 143 432 LEU 144 433 ILE 145 434 LEU 146 435 SER 147 436 ALA 148 437 ARG 149 438 HIS 150 439 GLU 151 440 GLY 152 441 ASN 153 442 ASN 154 443 VAL 155 444 VAL 156 445 ILE 157 446 GLU 158 447 VAL 159 448 GLU 160 449 ASP 161 450 ASP 162 451 GLY 163 452 ARG 164 453 GLY 165 454 ILE 166 455 ASP 167 456 LYS 168 457 GLU 169 458 LYS 170 459 ILE 171 460 ILE 172 461 ARG 173 462 LYS 174 463 ALA 175 464 ILE 176 465 GLU 177 466 LYS 178 467 GLY 179 468 LEU 180 469 ILE 181 470 ASP 182 471 GLU 183 472 SER 184 473 LYS 185 474 ALA 186 475 ALA 187 476 THR 188 477 LEU 189 478 SER 190 479 ASP 191 480 GLN 192 481 GLU 193 482 ILE 194 483 LEU 195 484 ASN 196 485 PHE 197 486 LEU 198 487 PHE 199 488 VAL 200 489 PRO 201 490 GLY 202 491 PHE 203 492 SER 204 493 THR 205 494 LYS 206 495 GLU 207 496 LYS 208 497 VAL 209 498 SER 210 499 GLU 211 500 VAL 212 501 SER 213 502 GLY 214 503 ARG 215 504 GLY 216 505 VAL 217 506 GLY 218 507 MET 219 508 ASP 220 509 VAL 221 510 VAL 222 511 LYS 223 512 ASN 224 513 VAL 225 514 VAL 226 515 GLU 227 516 SER 228 517 LEU 229 518 ASN 230 519 GLY 231 520 SER 232 521 ILE 233 522 SER 234 523 ILE 235 524 GLU 236 525 SER 237 526 GLU 238 527 LYS 239 528 ASP 240 529 LYS 241 530 GLY 242 531 THR 243 532 LYS 244 533 VAL 245 534 THR 246 535 ILE 247 536 ARG 248 537 LEU 249 538 PRO 250 539 LEU 251 540 THR 252 . LEU 253 . GLU 254 . HIS 255 . HIS 256 . HIS 257 . HIS 258 . HIS 259 . HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1B3Q "Crystal Structure Of Chea-289, A Signal Transducing Histidine Kinase" 96.14 379 99.20 99.60 7.86e-171 PDB 1I58 "Structure Of The Histidine Kinase Chea Atp-Binding Domain In Complex With Atp Analog Adpcp And Magnesium" 71.81 189 100.00 100.00 4.25e-126 PDB 1I59 "Structure Of The Histidine Kinase Chea Atp-Binding Domain In Complex With Adpnp And Magensium" 71.81 189 100.00 100.00 4.25e-126 PDB 1I5A "Structure Of Chea Domain P4 In Complex With Adpcp And Manganese" 71.81 189 100.00 100.00 4.25e-126 PDB 1I5B "Structure Of Chea Domain P4 In Complex With Adpnp And Manganese" 71.81 189 100.00 100.00 4.25e-126 PDB 1I5C "Structure Of Chea Domain P4 In Complex With Adp" 71.81 189 100.00 100.00 4.25e-126 PDB 1I5D "Structure Of Chea Domain P4 In Complex With Tnp-Atp" 73.75 191 100.00 100.00 6.21e-130 PDB 2CH4 "Complex Between Bacterial Chemotaxis Histidine Kinase Chea Domains P4 And P5 And Receptor-Adaptor Protein Chew" 72.20 320 100.00 100.00 3.67e-126 PDB 3UR1 "The Structure Of A Ternary Complex Between Chea Domains P4 And P5 With Chew And With A Truncated Fragment Of Tm14, A Chemorecep" 72.20 320 100.00 100.00 3.67e-126 PDB 4JPB "The Structure Of A Ternary Complex Between Chea Domains P4 And P5 With Chew And With An Unzipped Fragment Of Tm14, A Chemorecep" 72.20 319 99.47 99.47 2.70e-123 GB AAA96387 "CheA [Thermotoga maritima]" 97.30 671 99.60 99.60 1.57e-169 GB AAD35784 "chemotaxis sensor histidine kinase CheA [Thermotoga maritima MSB8]" 97.30 671 100.00 100.00 1.07e-170 GB ABQ46257 "CheA signal transduction histidine kinase [Thermotoga petrophila RKU-1]" 97.30 671 99.21 99.60 9.52e-170 GB ACB08586 "CheA signal transduction histidine kinase [Thermotoga sp. RQ2]" 97.30 671 100.00 100.00 1.55e-170 GB ADA66595 "CheA signal transduction histidine kinase [Thermotoga naphthophila RKU-10]" 97.30 671 100.00 100.00 1.17e-170 REF NP_228511 "chemotaxis sensor histidine kinase CheA [Thermotoga maritima MSB8]" 97.30 671 100.00 100.00 1.07e-170 REF WP_004081040 "chemotaxis protein CheA [Thermotoga maritima]" 97.30 671 100.00 100.00 1.07e-170 REF WP_008192691 "chemotaxis protein CheA [Thermotoga sp. EMP]" 97.30 671 100.00 100.00 1.70e-170 REF WP_011942905 "chemotaxis protein CheA [Thermotoga petrophila]" 97.30 671 99.21 99.60 9.52e-170 REF WP_012310403 "chemotaxis protein CheA [Thermotoga sp. RQ2]" 97.30 671 100.00 100.00 1.55e-170 SP Q56310 "RecName: Full=Chemotaxis protein CheA [Thermotoga maritima MSB8]" 97.30 671 100.00 100.00 1.07e-170 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CheA_dimerization_and_catalytic_domains 'Thermotoga maritima' 243274 Eubacteria . Thermotoga maritima 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 $CheA_dimerization_and_catalytic_domains 'recombinant technology' 'E. coli' . . . . 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 $CheA_dimerization_and_catalytic_domains 1.0 mM '[U-2H; U-13C; U-15N]' Na2HPO4 50 mM . NaCl 50 mM . 'sodium azide' 0.04 % . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_800MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_TROSY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_TROSY-HSQC _Sample_label $sample_1 save_ save_TROISY-HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name TROISY-HNCA _Sample_label $sample_1 save_ save_TROSY-HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name TROSY-HN(CO)CA _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details '50mM Na2HPO4, 50mM NaCl, 0.04% sodium azide' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 5 mM pH 7.40 0.10 pH temperature 323 3 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details 'Assignments were first made in a P4 construct, then transfered to P3P4, with the help of the experiments listed.' loop_ _Experiment_label 1H15N_TROSY-HSQC TROISY-HNCA TROSY-HN(CO)CA stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name 'CheA P3P4' _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 1 358 69 ILE H H 8.748 0.02 1 2 358 69 ILE N N 122.81 0.1 1 3 359 70 SER H H 8.127 0.02 1 4 359 70 SER N N 122.04 0.1 1 5 360 71 PHE H H 8.044 0.02 1 6 360 71 PHE N N 122.35 0.1 1 7 361 72 VAL H H 7.700 0.02 1 8 361 72 VAL N N 115.50 0.1 1 9 362 73 PHE H H 8.592 0.02 1 10 362 73 PHE N N 118.57 0.1 1 11 363 74 ASN H H 8.376 0.02 1 12 363 74 ASN N N 114.47 0.1 1 13 364 75 ARG H H 7.191 0.02 1 14 364 75 ARG N N 117.02 0.1 1 15 365 76 PHE H H 7.860 0.02 1 16 365 76 PHE N N 117.97 0.1 1 17 368 79 MET H H 7.039 0.02 1 18 368 79 MET N N 118.12 0.1 1 19 369 80 VAL H H 8.599 0.02 1 20 369 80 VAL N N 119.90 0.1 1 21 370 81 ARG H H 7.504 0.02 1 22 370 81 ARG N N 118.97 0.1 1 23 371 82 ASP H H 7.754 0.02 1 24 371 82 ASP N N 120.08 0.1 1 25 372 83 LEU H H 8.196 0.02 1 26 372 83 LEU N N 121.87 0.1 1 27 373 84 ALA H H 8.439 0.02 1 28 373 84 ALA N N 121.08 0.1 1 29 374 85 LYS H H 7.718 0.02 1 30 374 85 LYS N N 117.75 0.1 1 31 375 86 LYS H H 7.819 0.02 1 32 375 86 LYS N N 120.73 0.1 1 33 376 87 MET H H 7.601 0.02 1 34 376 87 MET N N 115.49 0.1 1 35 377 88 ASN H H 7.867 0.02 1 36 377 88 ASN N N 117.78 0.1 1 37 378 89 LYS H H 8.228 0.02 1 38 378 89 LYS N N 117.14 0.1 1 39 379 90 GLU H H 8.072 0.02 1 40 379 90 GLU N N 121.70 0.1 1 41 380 91 VAL H H 8.285 0.02 1 42 380 91 VAL N N 121.36 0.1 1 43 382 93 PHE H H 8.327 0.02 1 44 382 93 PHE N N 126.44 0.1 1 45 384 95 MET H H 7.858 0.02 1 46 384 95 MET N N 123.14 0.1 1 47 385 96 ARG H H 8.859 0.02 1 48 385 96 ARG N N 122.30 0.1 1 49 387 98 GLU H H 9.599 0.02 1 50 387 98 GLU N N 121.17 0.1 1 51 388 99 ASP H H 8.355 0.02 1 52 388 99 ASP N N 116.23 0.1 1 53 389 100 THR H H 7.662 0.02 1 54 389 100 THR N N 119.53 0.1 1 55 390 101 GLU H H 8.235 0.02 1 56 390 101 GLU N N 127.57 0.1 1 57 391 102 LEU H H 8.675 0.02 1 58 391 102 LEU N N 119.11 0.1 1 59 393 104 ARG H H 8.574 0.02 1 60 393 104 ARG N N 125.56 0.1 1 61 394 105 THR H H 8.984 0.02 1 62 394 105 THR N N 114.53 0.1 1 63 395 106 PHE H H 7.512 0.02 1 64 395 106 PHE N N 118.85 0.1 1 65 396 107 VAL H H 7.475 0.02 1 66 396 107 VAL N N 118.17 0.1 1 67 397 108 GLU H H 7.830 0.02 1 68 397 108 GLU N N 116.77 0.1 1 69 398 109 GLU H H 7.494 0.02 1 70 398 109 GLU N N 116.07 0.1 1 71 399 110 ILE H H 7.683 0.02 1 72 399 110 ILE N N 112.26 0.1 1 73 400 111 GLY H H 7.887 0.02 1 74 400 111 GLY N N 110.57 0.1 1 75 401 112 GLU H H 8.364 0.02 1 76 401 112 GLU N N 120.62 0.1 1 77 403 114 LEU H H 7.535 0.02 1 78 403 114 LEU N N 114.79 0.1 1 79 404 115 LEU H H 8.031 0.02 1 80 404 115 LEU N N 121.15 0.1 1 81 405 116 HIS H H 7.958 0.02 1 82 405 116 HIS N N 118.12 0.1 1 83 407 118 LEU H H 8.103 0.02 1 84 407 118 LEU N N 121.73 0.1 1 85 408 119 ARG H H 8.546 0.02 1 86 408 119 ARG N N 118.84 0.1 1 87 411 122 ILE H H 7.596 0.02 1 88 411 122 ILE N N 117.76 0.1 1 89 412 123 ASP H H 8.162 0.02 1 90 412 123 ASP N N 117.72 0.1 1 91 415 126 ILE H H 8.394 0.02 1 92 415 126 ILE N N 124.32 0.1 1 93 419 130 GLU H H 9.245 0.02 1 94 419 130 GLU N N 116.42 0.1 1 95 420 131 GLU H H 7.026 0.02 1 96 420 131 GLU N N 120.82 0.1 1 97 422 133 ILE H H 8.219 0.02 1 98 422 133 ILE N N 118.67 0.1 1 99 424 135 LYS H H 7.341 0.02 1 100 424 135 LYS N N 115.88 0.1 1 101 426 137 LYS H H 7.908 0.02 1 102 426 137 LYS N N 120.84 0.1 1 103 429 140 ILE H H 6.848 0.02 1 104 429 140 ILE N N 114.52 0.1 1 105 430 141 GLY H H 8.739 0.02 1 106 430 141 GLY N N 115.77 0.1 1 107 436 147 ALA H H 7.790 0.02 1 108 436 147 ALA N N 123.01 0.1 1 109 437 148 ARG H H 8.620 0.02 1 110 437 148 ARG N N 115.44 0.1 1 111 438 149 HIS H H 8.695 0.02 1 112 438 149 HIS N N 119.99 0.1 1 113 439 150 GLU H H 8.661 0.02 1 114 439 150 GLU N N 124.68 0.1 1 115 442 153 ASN H H 7.931 0.02 1 116 442 153 ASN N N 116.48 0.1 1 117 443 154 VAL H H 9.146 0.02 1 118 443 154 VAL N N 121.51 0.1 1 119 444 155 VAL H H 9.121 0.02 1 120 444 155 VAL N N 128.74 0.1 1 121 445 156 ILE H H 9.464 0.02 1 122 445 156 ILE N N 129.39 0.1 1 123 446 157 GLU H H 9.072 0.02 1 124 446 157 GLU N N 125.97 0.1 1 125 447 158 VAL H H 8.763 0.02 1 126 447 158 VAL N N 122.25 0.1 1 127 448 159 GLU H H 9.370 0.02 1 128 448 159 GLU N N 129.69 0.1 1 129 449 160 ASP H H 8.853 0.02 1 130 449 160 ASP N N 122.90 0.1 1 131 450 161 ASP H H 8.083 0.02 1 132 450 161 ASP N N 122.54 0.1 1 133 451 162 GLY H H 9.409 0.02 1 134 451 162 GLY N N 112.67 0.1 1 135 452 163 ARG H H 8.286 0.02 1 136 452 163 ARG N N 117.03 0.1 1 137 453 164 GLY H H 9.024 0.02 1 138 453 164 GLY N N 112.75 0.1 1 139 456 167 LYS H H 7.795 0.02 1 140 456 167 LYS N N 122.00 0.1 1 141 457 168 GLU H H 8.018 0.02 1 142 457 168 GLU N N 119.06 0.1 1 143 458 169 LYS H H 7.276 0.02 1 144 458 169 LYS N N 119.11 0.1 1 145 459 170 ILE H H 7.282 0.02 1 146 459 170 ILE N N 119.22 0.1 1 147 460 171 ILE H H 7.827 0.02 1 148 460 171 ILE N N 119.30 0.1 1 149 462 173 LYS H H 7.679 0.02 1 150 462 173 LYS N N 120.08 0.1 1 151 463 174 ALA H H 8.497 0.02 1 152 463 174 ALA N N 122.66 0.1 1 153 464 175 ILE H H 8.080 0.02 1 154 464 175 ILE N N 119.94 0.1 1 155 465 176 GLU H H 8.200 0.02 1 156 465 176 GLU N N 123.77 0.1 1 157 468 179 LEU H H 8.197 0.02 1 158 468 179 LEU N N 118.87 0.1 1 159 469 180 ILE H H 7.054 0.02 1 160 469 180 ILE N N 112.11 0.1 1 161 471 182 GLU H H 8.917 0.02 1 162 471 182 GLU N N 121.40 0.1 1 163 473 184 LYS H H 7.940 0.02 1 164 473 184 LYS N N 122.44 0.1 1 165 474 185 ALA H H 7.945 0.02 1 166 474 185 ALA N N 121.95 0.1 1 167 475 186 ALA H H 7.332 0.02 1 168 475 186 ALA N N 116.39 0.1 1 169 478 189 SER H H 8.869 0.02 1 170 478 189 SER N N 119.27 0.1 1 171 480 191 GLN H H 8.186 0.02 1 172 480 191 GLN N N 116.91 0.1 1 173 481 192 GLU H H 7.387 0.02 1 174 481 192 GLU N N 118.69 0.1 1 175 482 193 ILE H H 7.804 0.02 1 176 482 193 ILE N N 119.35 0.1 1 177 483 194 LEU H H 7.831 0.02 1 178 483 194 LEU N N 117.46 0.1 1 179 484 195 ASN H H 7.457 0.02 1 180 484 195 ASN N N 115.21 0.1 1 181 485 196 PHE H H 7.608 0.02 1 182 485 196 PHE N N 120.44 0.1 1 183 486 197 LEU H H 7.370 0.02 1 184 486 197 LEU N N 114.14 0.1 1 185 487 198 PHE H H 7.064 0.02 1 186 487 198 PHE N N 113.75 0.1 1 187 488 199 VAL H H 7.480 0.02 1 188 488 199 VAL N N 124.07 0.1 1 189 512 223 ASN H H 7.952 0.02 1 190 512 223 ASN N N 117.29 0.1 1 191 513 224 VAL H H 8.099 0.02 1 192 513 224 VAL N N 120.74 0.1 1 193 514 225 VAL H H 7.937 0.02 1 194 514 225 VAL N N 119.70 0.1 1 195 515 226 GLU H H 8.669 0.02 1 196 515 226 GLU N N 119.26 0.1 1 197 516 227 SER H H 7.916 0.02 1 198 516 227 SER N N 119.51 0.1 1 199 517 228 LEU H H 7.030 0.02 1 200 517 228 LEU N N 122.31 0.1 1 201 518 229 ASN H H 7.809 0.02 1 202 518 229 ASN N N 111.96 0.1 1 203 520 231 SER H H 8.553 0.02 1 204 520 231 SER N N 112.03 0.1 1 205 521 232 ILE H H 8.534 0.02 1 206 521 232 ILE N N 120.67 0.1 1 207 522 233 SER H H 8.770 0.02 1 208 522 233 SER N N 121.14 0.1 1 209 523 234 ILE H H 8.599 0.02 1 210 523 234 ILE N N 121.92 0.1 1 211 524 235 GLU H H 8.629 0.02 1 212 524 235 GLU N N 125.13 0.1 1 213 526 237 GLU H H 7.990 0.02 1 214 526 237 GLU N N 126.08 0.1 1 215 528 239 ASP H H 8.604 0.02 1 216 528 239 ASP N N 121.08 0.1 1 217 529 240 LYS H H 8.050 0.02 1 218 529 240 LYS N N 123.70 0.1 1 219 531 242 THR H H 7.472 0.02 1 220 531 242 THR N N 116.88 0.1 1 221 534 245 THR H H 8.870 0.02 1 222 534 245 THR N N 123.86 0.1 1 223 536 247 ARG H H 8.680 0.02 1 224 536 247 ARG N N 126.43 0.1 1 225 537 248 LEU H H 8.979 0.02 1 226 537 248 LEU N N 122.53 0.1 1 227 539 250 LEU H H 7.947 0.02 1 228 539 250 LEU N N 121.83 0.1 1 229 540 251 THR H H 7.361 0.02 1 230 540 251 THR N N 117.61 0.1 1 stop_ save_