data_17920 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of filamentous full-length tau ; _BMRB_accession_number 17920 _BMRB_flat_file_name bmr17920.str _Entry_type original _Submission_date 2011-09-06 _Accession_date 2011-09-06 _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 Bibow Stefan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 216 "13C chemical shifts" 237 "15N chemical shifts" 216 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-02-14 update BMRB 'update entry citation' 2011-10-24 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_PHF-tau _Saveframe_category entry_citation _Citation_full . _Citation_title 'The dynamic structure of filamentous tau.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21990182 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bibow Stefan . . 2 Mukrasch Marco D. . 3 Chinnathambi Subashchandrabose . . 4 Biernat Jacek . . 5 Griesinger Christian . . 6 Mandelkow Eckhard . . 7 Zweckstetter Markus . . stop_ _Journal_abbreviation 'Angew. Chem. Int. Ed. Engl.' _Journal_name_full 'Angewandte Chemie (International ed. in English)' _Journal_volume 50 _Journal_issue 48 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11520 _Page_last 11524 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name tau-filaments _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label tau-filaments $tau-filaments 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_tau-filaments _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common tau-filaments _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 441 _Mol_residue_sequence ; MAEPRQEFEVMEDHAGTYGL GDRKDQGGYTMHQDQEGDTD AGLKESPLQTPTEDGSEEPG SETSDAKSTPTAEDVTAPLV DEGAPGKQAAAQPHTEIPEG TTAEEAGIGDTPSLEDEAAG HVTQARMVSKSKDGTGSDDK KAKGADGKTKIATPRGAAPP GQKGQANATRIPAKTPPAPK TPPSSGEPPKSGDRSGYSSP GSPGTPGSRSRTPSLPTPPT REPKKVAVVRTPPKSPSSAK SRLQTAPVPMPDLKNVKSKI GSTENLKHQPGGGKVQIINK KLDLSNVQSKCGSKDNIKHV PGGGSVQIVYKPVDLSKVTS KCGSLGNIHHKPGGGQVEVK SEKLDFKDRVQSKIGSLDNI THVPGGGNKKIETHKLTFRE NAKAKTDHGAEIVYKSPVVS GDTSPRHLSNVSSTGSIDMV DSPQLATLADEVSASLAKQG L ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLU 4 PRO 5 ARG 6 GLN 7 GLU 8 PHE 9 GLU 10 VAL 11 MET 12 GLU 13 ASP 14 HIS 15 ALA 16 GLY 17 THR 18 TYR 19 GLY 20 LEU 21 GLY 22 ASP 23 ARG 24 LYS 25 ASP 26 GLN 27 GLY 28 GLY 29 TYR 30 THR 31 MET 32 HIS 33 GLN 34 ASP 35 GLN 36 GLU 37 GLY 38 ASP 39 THR 40 ASP 41 ALA 42 GLY 43 LEU 44 LYS 45 GLU 46 SER 47 PRO 48 LEU 49 GLN 50 THR 51 PRO 52 THR 53 GLU 54 ASP 55 GLY 56 SER 57 GLU 58 GLU 59 PRO 60 GLY 61 SER 62 GLU 63 THR 64 SER 65 ASP 66 ALA 67 LYS 68 SER 69 THR 70 PRO 71 THR 72 ALA 73 GLU 74 ASP 75 VAL 76 THR 77 ALA 78 PRO 79 LEU 80 VAL 81 ASP 82 GLU 83 GLY 84 ALA 85 PRO 86 GLY 87 LYS 88 GLN 89 ALA 90 ALA 91 ALA 92 GLN 93 PRO 94 HIS 95 THR 96 GLU 97 ILE 98 PRO 99 GLU 100 GLY 101 THR 102 THR 103 ALA 104 GLU 105 GLU 106 ALA 107 GLY 108 ILE 109 GLY 110 ASP 111 THR 112 PRO 113 SER 114 LEU 115 GLU 116 ASP 117 GLU 118 ALA 119 ALA 120 GLY 121 HIS 122 VAL 123 THR 124 GLN 125 ALA 126 ARG 127 MET 128 VAL 129 SER 130 LYS 131 SER 132 LYS 133 ASP 134 GLY 135 THR 136 GLY 137 SER 138 ASP 139 ASP 140 LYS 141 LYS 142 ALA 143 LYS 144 GLY 145 ALA 146 ASP 147 GLY 148 LYS 149 THR 150 LYS 151 ILE 152 ALA 153 THR 154 PRO 155 ARG 156 GLY 157 ALA 158 ALA 159 PRO 160 PRO 161 GLY 162 GLN 163 LYS 164 GLY 165 GLN 166 ALA 167 ASN 168 ALA 169 THR 170 ARG 171 ILE 172 PRO 173 ALA 174 LYS 175 THR 176 PRO 177 PRO 178 ALA 179 PRO 180 LYS 181 THR 182 PRO 183 PRO 184 SER 185 SER 186 GLY 187 GLU 188 PRO 189 PRO 190 LYS 191 SER 192 GLY 193 ASP 194 ARG 195 SER 196 GLY 197 TYR 198 SER 199 SER 200 PRO 201 GLY 202 SER 203 PRO 204 GLY 205 THR 206 PRO 207 GLY 208 SER 209 ARG 210 SER 211 ARG 212 THR 213 PRO 214 SER 215 LEU 216 PRO 217 THR 218 PRO 219 PRO 220 THR 221 ARG 222 GLU 223 PRO 224 LYS 225 LYS 226 VAL 227 ALA 228 VAL 229 VAL 230 ARG 231 THR 232 PRO 233 PRO 234 LYS 235 SER 236 PRO 237 SER 238 SER 239 ALA 240 LYS 241 SER 242 ARG 243 LEU 244 GLN 245 THR 246 ALA 247 PRO 248 VAL 249 PRO 250 MET 251 PRO 252 ASP 253 LEU 254 LYS 255 ASN 256 VAL 257 LYS 258 SER 259 LYS 260 ILE 261 GLY 262 SER 263 THR 264 GLU 265 ASN 266 LEU 267 LYS 268 HIS 269 GLN 270 PRO 271 GLY 272 GLY 273 GLY 274 LYS 275 VAL 276 GLN 277 ILE 278 ILE 279 ASN 280 LYS 281 LYS 282 LEU 283 ASP 284 LEU 285 SER 286 ASN 287 VAL 288 GLN 289 SER 290 LYS 291 CYS 292 GLY 293 SER 294 LYS 295 ASP 296 ASN 297 ILE 298 LYS 299 HIS 300 VAL 301 PRO 302 GLY 303 GLY 304 GLY 305 SER 306 VAL 307 GLN 308 ILE 309 VAL 310 TYR 311 LYS 312 PRO 313 VAL 314 ASP 315 LEU 316 SER 317 LYS 318 VAL 319 THR 320 SER 321 LYS 322 CYS 323 GLY 324 SER 325 LEU 326 GLY 327 ASN 328 ILE 329 HIS 330 HIS 331 LYS 332 PRO 333 GLY 334 GLY 335 GLY 336 GLN 337 VAL 338 GLU 339 VAL 340 LYS 341 SER 342 GLU 343 LYS 344 LEU 345 ASP 346 PHE 347 LYS 348 ASP 349 ARG 350 VAL 351 GLN 352 SER 353 LYS 354 ILE 355 GLY 356 SER 357 LEU 358 ASP 359 ASN 360 ILE 361 THR 362 HIS 363 VAL 364 PRO 365 GLY 366 GLY 367 GLY 368 ASN 369 LYS 370 LYS 371 ILE 372 GLU 373 THR 374 HIS 375 LYS 376 LEU 377 THR 378 PHE 379 ARG 380 GLU 381 ASN 382 ALA 383 LYS 384 ALA 385 LYS 386 THR 387 ASP 388 HIS 389 GLY 390 ALA 391 GLU 392 ILE 393 VAL 394 TYR 395 LYS 396 SER 397 PRO 398 VAL 399 VAL 400 SER 401 GLY 402 ASP 403 THR 404 SER 405 PRO 406 ARG 407 HIS 408 LEU 409 SER 410 ASN 411 VAL 412 SER 413 SER 414 THR 415 GLY 416 SER 417 ILE 418 ASP 419 MET 420 VAL 421 ASP 422 SER 423 PRO 424 GLN 425 LEU 426 ALA 427 THR 428 LEU 429 ALA 430 ASP 431 GLU 432 VAL 433 SER 434 ALA 435 SER 436 LEU 437 ALA 438 LYS 439 GLN 440 GLY 441 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-22 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 GB AAC04279 "CNS specific microtubule-associated protein tau, adult isoform [Homo sapiens]" 100.00 441 100.00 100.00 0.00e+00 GB AAR11260 "microtubule-associated protein tau [Macaca mulatta]" 63.04 278 99.28 99.28 0.00e+00 GB EAW93567 "microtubule-associated protein tau, isoform CRA_c [Homo sapiens]" 100.00 441 100.00 100.00 0.00e+00 GB EAW93569 "microtubule-associated protein tau, isoform CRA_c [Homo sapiens]" 100.00 441 100.00 100.00 0.00e+00 REF NP_005901 "microtubule-associated protein tau isoform 2 [Homo sapiens]" 100.00 441 100.00 100.00 0.00e+00 REF XP_002827442 "PREDICTED: microtubule-associated protein tau isoform X2 [Pongo abelii]" 100.00 441 97.96 98.64 0.00e+00 REF XP_005257429 "PREDICTED: microtubule-associated protein tau isoform X12 [Homo sapiens]" 69.61 390 98.05 99.02 0.00e+00 REF XP_005275705 "PREDICTED: microtubule-associated protein tau isoform X1 [Homo sapiens]" 69.61 390 98.05 99.02 0.00e+00 REF XP_005584597 "PREDICTED: microtubule-associated protein tau isoform X12 [Macaca fascicularis]" 100.00 441 97.96 98.41 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 $tau-filaments Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $tau-filaments 'recombinant technology' . Escherichia coli . none stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type 'gel solution' _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $tau-filaments 50 mg '[U-100% 13C; U-100% 15N]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' 'Phosphate buffer' 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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' 50 . mM pH 6.8 . pH pressure 1 . atm temperature 278 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'Referenced to DSS' 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 C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 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 '3D HNCA' 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 tau-filaments _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 ALA CA C 51.62 0 1 2 3 3 GLU H H 8.811 0 1 3 3 3 GLU CA C 54.38 0 1 4 3 3 GLU N N 121.689 0 1 5 4 4 PRO CA C 63.132 0 1 6 5 5 ARG H H 8.579 0 1 7 5 5 ARG CA C 55.997 0 1 8 5 5 ARG N N 122.033 0 1 9 6 6 GLN H H 8.621 0 1 10 6 6 GLN CA C 55.771 0 1 11 6 6 GLN N N 122.599 0 1 12 7 7 GLU H H 8.587 0 1 13 7 7 GLU CA C 56.89 0 1 14 7 7 GLU N N 122.493 0 1 15 8 8 PHE H H 8.221 0 1 16 8 8 PHE CA C 57.365 0 1 17 8 8 PHE N N 119.699 0 1 18 9 9 GLU H H 8.348 0 1 19 9 9 GLU CA C 56.269 0 1 20 9 9 GLU N N 122.427 0 1 21 10 10 VAL H H 8.331 0 1 22 10 10 VAL CA C 62.335 0 1 23 10 10 VAL N N 122.189 0 1 24 11 11 MET H H 8.589 0 1 25 11 11 MET CA C 55.318 0 1 26 11 11 MET N N 125.104 0 1 27 12 12 GLU H H 8.537 0 1 28 12 12 GLU CA C 56.535 0 1 29 12 12 GLU N N 122.82 0 1 30 13 13 ASP H H 8.464 0 1 31 13 13 ASP CA C 54.222 0 1 32 13 13 ASP N N 121.806 0 1 33 14 14 HIS H H 8.49 0 1 34 14 14 HIS CA C 55.697 0 1 35 14 14 HIS N N 120.099 0 1 36 15 15 ALA H H 8.442 0 1 37 15 15 ALA CA C 53.109 0 1 38 15 15 ALA N N 124.554 0 1 39 16 16 GLY H H 8.494 0 1 40 16 16 GLY CA C 45.457 0 1 41 16 16 GLY N N 108.214 0 1 42 17 17 THR H H 8.071 0 1 43 17 17 THR CA C 62.089 0 1 44 17 17 THR N N 113.717 0 1 45 18 18 TYR H H 8.4 0 1 46 18 18 TYR CA C 58.242 0 1 47 18 18 TYR N N 122.845 0 1 48 19 19 GLY H H 8.455 0 1 49 19 19 GLY CA C 45.212 0 1 50 19 19 GLY N N 110.77 0 1 51 20 20 LEU H H 8.201 0 1 52 20 20 LEU CA C 55.393 0 1 53 20 20 LEU N N 121.482 0 1 54 21 21 GLY H H 8.547 0 1 55 21 21 GLY CA C 45.335 0 1 56 21 21 GLY N N 109.471 0 1 57 22 22 ASP H H 8.298 0 1 58 22 22 ASP CA C 54.34 0 1 59 22 22 ASP N N 120.434 0 1 60 23 23 ARG H H 8.361 0 1 61 23 23 ARG CA C 56.3 0 1 62 23 23 ARG N N 121.247 0 1 63 24 24 LYS H H 8.509 0 1 64 24 24 LYS CA C 56.58 0 1 65 24 24 LYS N N 122.214 0 1 66 25 25 ASP H H 8.457 0 1 67 25 25 ASP CA C 54.323 0 1 68 25 25 ASP N N 120.61 0 1 69 26 26 GLN H H 8.405 0 1 70 26 26 GLN CA C 56.055 0 1 71 26 26 GLN N N 120.515 0 1 72 27 27 GLY H H 8.555 0 1 73 27 27 GLY CA C 45.263 0 1 74 27 27 GLY N N 109.351 0 1 75 28 28 GLY H H 8.32 0 1 76 28 28 GLY CA C 45.274 0 1 77 28 28 GLY N N 108.703 0 1 78 29 29 TYR H H 8.177 0 1 79 29 29 TYR CA C 58.048 0 1 80 29 29 TYR N N 120.354 0 1 81 30 30 THR H H 8.19 0 1 82 30 30 THR CA C 61.828 0 1 83 30 30 THR N N 117.045 0 1 84 31 31 MET H H 8.388 0 1 85 31 31 MET CA C 55.537 0 1 86 31 31 MET N N 123.074 0 1 87 32 32 HIS H H 8.569 0 1 88 32 32 HIS CA C 55.934 0 1 89 32 32 HIS N N 120.752 0 1 90 33 33 GLN H H 8.528 0 1 91 33 33 GLN CA C 55.819 0 1 92 33 33 GLN N N 122.626 0 1 93 34 34 ASP H H 8.658 0 1 94 34 34 ASP CA C 54.721 0 1 95 34 34 ASP N N 122.142 0 1 96 35 35 GLN H H 8.47 0 1 97 35 35 GLN CA C 55.689 0 1 98 35 35 GLN N N 120.307 0 1 99 36 36 GLU H H 8.587 0 1 100 36 36 GLU CA C 56.897 0 1 101 36 36 GLU N N 122.337 0 1 102 37 37 GLY H H 8.522 0 1 103 37 37 GLY CA C 45.204 0 1 104 37 37 GLY N N 110.155 0 1 105 38 38 ASP H H 8.362 0 1 106 38 38 ASP CA C 54.352 0 1 107 38 38 ASP N N 120.818 0 1 108 39 39 THR H H 8.305 0 1 109 39 39 THR CA C 62.185 0 1 110 39 39 THR N N 114.912 0 1 111 40 40 ASP H H 8.495 0 1 112 40 40 ASP CA C 54.527 0 1 113 40 40 ASP N N 122.918 0 1 114 41 41 ALA H H 8.357 0 1 115 41 41 ALA CA C 53.213 0 1 116 41 41 ALA N N 125.164 0 1 117 42 42 GLY H H 8.478 0 1 118 42 42 GLY CA C 45.423 0 1 119 42 42 GLY N N 107.476 0 1 120 43 43 LEU H H 8.041 0 1 121 43 43 LEU CA C 55.198 0 1 122 43 43 LEU N N 121.389 0 1 123 44 44 LYS H H 8.343 0 1 124 44 44 LYS CA C 56.038 0 1 125 44 44 LYS N N 122.393 0 1 126 45 45 GLU H H 8.449 0 1 127 45 45 GLU CA C 56.14 0 1 128 45 45 GLU N N 122.132 0 1 129 46 46 SER H H 8.559 0 1 130 46 46 SER CA C 56.404 0 1 131 46 46 SER N N 119.003 0 1 132 47 47 PRO CA C 63.082 0 1 133 48 48 LEU H H 8.4 0 1 134 48 48 LEU CA C 55.231 0 1 135 48 48 LEU N N 122.416 0 1 136 49 49 GLN H H 8.479 0 1 137 49 49 GLN CA C 55.331 0 1 138 49 49 GLN N N 121.909 0 1 139 50 50 THR H H 8.416 0 1 140 50 50 THR CA C 60.015 0 1 141 50 50 THR N N 119.229 0 1 142 51 51 PRO CA C 63.203 0 1 143 52 52 THR H H 8.442 0 1 144 52 52 THR CA C 61.963 0 1 145 52 52 THR N N 115.469 0 1 146 53 53 GLU H H 8.624 0 1 147 53 53 GLU CA C 56.446 0 1 148 53 53 GLU N N 123.563 0 1 149 54 54 ASP H H 8.543 0 1 150 54 54 ASP CA C 54.403 0 1 151 54 54 ASP N N 121.927 0 1 152 55 55 GLY H H 8.56 0 1 153 55 55 GLY CA C 45.46 0 1 154 55 55 GLY N N 110.372 0 1 155 56 56 SER H H 8.256 0 1 156 56 56 SER CA C 58.66 0 1 157 56 56 SER N N 115.86 0 1 158 57 57 GLU H H 8.633 0 1 159 57 57 GLU CA C 56.216 0 1 160 57 57 GLU N N 122.599 0 1 161 58 58 GLU H H 8.556 0 1 162 58 58 GLU CA C 54.278 0 1 163 58 58 GLU N N 123.907 0 1 164 59 59 PRO CA C 63.489 0 1 165 60 60 GLY H H 8.734 0 1 166 60 60 GLY CA C 45.222 0 1 167 60 60 GLY N N 110.253 0 1 168 61 61 SER H H 8.323 0 1 169 61 61 SER CA C 58.529 0 1 170 61 61 SER N N 115.897 0 1 171 62 62 GLU H H 8.814 0 1 172 62 62 GLU CA C 56.858 0 1 173 62 62 GLU N N 123.028 0 1 174 63 63 THR H H 8.332 0 1 175 63 63 THR CA C 61.824 0 1 176 63 63 THR N N 115.024 0 1 177 64 64 SER H H 8.438 0 1 178 64 64 SER CA C 58.499 0 1 179 64 64 SER N N 118.253 0 1 180 65 65 ASP H H 8.48 0 1 181 65 65 ASP CA C 54.373 0 1 182 65 65 ASP N N 122.827 0 1 183 66 66 ALA H H 8.294 0 1 184 66 66 ALA CA C 52.874 0 1 185 66 66 ALA N N 124.537 0 1 186 67 67 LYS H H 8.376 0 1 187 67 67 LYS CA C 56.176 0 1 188 67 67 LYS N N 120.267 0 1 189 68 68 SER H H 8.364 0 1 190 68 68 SER CA C 58.222 0 1 191 68 68 SER N N 117.103 0 1 192 69 69 THR H H 8.323 0 1 193 69 69 THR CA C 59.917 0 1 194 69 69 THR N N 118.926 0 1 195 70 70 PRO CA C 63.203 0 1 196 71 71 THR H H 8.481 0 1 197 71 71 THR CA C 61.833 0 1 198 71 71 THR N N 115.737 0 1 199 72 72 ALA H H 8.533 0 1 200 72 72 ALA CA C 52.641 0 1 201 72 72 ALA N N 126.881 0 1 202 73 73 GLU H H 8.474 0 1 203 73 73 GLU CA C 56.588 0 1 204 73 73 GLU N N 120.246 0 1 205 74 74 ASP H H 8.436 0 1 206 74 74 ASP CA C 54.236 0 1 207 74 74 ASP N N 121.761 0 1 208 75 75 VAL H H 8.221 0 1 209 75 75 VAL CA C 62.219 0 1 210 75 75 VAL N N 120.611 0 1 211 76 76 THR H H 8.376 0 1 212 76 76 THR CA C 62.029 0 1 213 76 76 THR N N 118.703 0 1 214 77 77 ALA H H 8.364 0 1 215 77 77 ALA CA C 50.618 0 1 216 77 77 ALA N N 128.738 0 1 217 78 78 PRO CA C 62.769 0 1 218 79 79 LEU H H 8.476 0 1 219 79 79 LEU CA C 55.119 0 1 220 79 79 LEU N N 122.989 0 1 221 80 80 VAL H H 8.285 0 1 222 80 80 VAL CA C 62.084 0 1 223 80 80 VAL N N 121.98 0 1 224 81 81 ASP H H 8.545 0 1 225 81 81 ASP CA C 53.993 0 1 226 81 81 ASP N N 124.881 0 1 227 82 82 GLU H H 8.654 0 1 228 82 82 GLU CA C 57.042 0 1 229 82 82 GLU N N 123.211 0 1 230 83 83 GLY H H 8.574 0 1 231 83 83 GLY CA C 45.119 0 1 232 83 83 GLY N N 109.407 0 1 233 84 84 ALA H H 8.083 0 1 234 84 84 ALA CA C 50.841 0 1 235 84 84 ALA N N 124.841 0 1 236 85 85 PRO CA C 63.551 0 1 237 86 86 GLY H H 8.582 0 1 238 86 86 GLY CA C 45.193 0 1 239 86 86 GLY N N 109.287 0 1 240 87 87 LYS H H 8.205 0 1 241 87 87 LYS CA C 56.361 0 1 242 87 87 LYS N N 120.977 0 1 243 88 88 GLN H H 8.525 0 1 244 88 88 GLN CA C 55.765 0 1 245 88 88 GLN N N 121.917 0 1 246 89 89 ALA H H 8.484 0 1 247 89 89 ALA CA C 52.536 0 1 248 89 89 ALA N N 126.069 0 1 249 90 90 ALA H H 8.378 0 1 250 90 90 ALA CA C 52.265 0 1 251 90 90 ALA N N 123.585 0 1 252 91 91 ALA H H 8.361 0 1 253 91 91 ALA CA C 52.24 0 1 254 91 91 ALA N N 123.674 0 1 255 92 92 GLN H H 8.461 0 1 256 92 92 GLN CA C 53.479 0 1 257 92 92 GLN N N 121.104 0 1 258 93 93 PRO CA C 63.072 0 1 259 94 94 HIS H H 8.699 0 1 260 94 94 HIS CA C 55.778 0 1 261 94 94 HIS N N 119.809 0 1 262 95 95 THR H H 8.249 0 1 263 95 95 THR CA C 61.798 0 1 264 95 95 THR N N 116.961 0 1 265 96 96 GLU H H 8.65 0 1 266 96 96 GLU CA C 56.217 0 1 267 96 96 GLU N N 124.149 0 1 268 97 97 ILE H H 8.447 0 1 269 97 97 ILE CA C 58.59 0 1 270 97 97 ILE N N 124.58 0 1 271 98 98 PRO CA C 63.118 0 1 272 99 99 GLU H H 8.714 0 1 273 99 99 GLU CA C 56.971 0 1 274 99 99 GLU N N 122.413 0 1 275 100 100 GLY H H 8.656 0 1 276 100 100 GLY CA C 45.29 0 1 277 100 100 GLY N N 110.811 0 1 278 101 101 THR H H 8.158 0 1 279 101 101 THR CA C 61.871 0 1 280 101 101 THR N N 114.185 0 1 281 102 102 THR H H 8.413 0 1 282 102 102 THR CA C 61.773 0 1 283 102 102 THR N N 117.105 0 1 284 103 103 ALA H H 8.576 0 1 285 103 103 ALA CA C 52.826 0 1 286 103 103 ALA N N 126.833 0 1 287 104 104 GLU H H 8.516 0 1 288 104 104 GLU CA C 56.898 0 1 289 104 104 GLU N N 120.425 0 1 290 105 105 GLU H H 8.449 0 1 291 105 105 GLU CA C 56.534 0 1 292 105 105 GLU N N 122.257 0 1 293 106 106 ALA H H 8.424 0 1 294 106 106 ALA CA C 52.774 0 1 295 106 106 ALA N N 125.283 0 1 296 107 107 GLY H H 8.461 0 1 297 107 107 GLY CA C 45.247 0 1 298 107 107 GLY N N 108.356 0 1 299 108 108 ILE H H 8.113 0 1 300 108 108 ILE CA C 61.469 0 1 301 108 108 ILE N N 119.825 0 1 302 109 109 GLY H H 8.594 0 1 303 109 109 GLY CA C 45.112 0 1 304 109 109 GLY N N 112.789 0 1 305 110 110 ASP H H 8.286 0 1 306 110 110 ASP CA C 54.357 0 1 307 110 110 ASP N N 120.512 0 1 308 111 111 THR H H 8.322 0 1 309 111 111 THR CA C 59.99 0 1 310 111 111 THR N N 117.299 0 1 311 112 112 PRO CA C 63.201 0 1 312 113 113 SER H H 8.674 0 1 313 113 113 SER CA C 58.025 0 1 314 113 113 SER N N 117.134 0 1 315 114 114 LEU H H 8.588 0 1 316 114 114 LEU CA C 55.64 0 1 317 114 114 LEU N N 124.877 0 1 318 115 115 GLU H H 8.503 0 1 319 115 115 GLU CA C 57.165 0 1 320 115 115 GLU N N 121.017 0 1 321 116 116 ASP H H 8.323 0 1 322 116 116 ASP CA C 54.776 0 1 323 116 116 ASP N N 121.441 0 1 324 117 117 GLU H H 8.471 0 1 325 117 117 GLU CA C 57.504 0 1 326 117 117 GLU N N 122.214 0 1 327 118 118 ALA H H 8.327 0 1 328 118 118 ALA CA C 53.168 0 1 329 118 118 ALA N N 123.905 0 1 330 119 119 ALA H H 8.106 0 1 331 119 119 ALA CA C 53.088 0 1 332 119 119 ALA N N 122.04 0 1 333 120 120 GLY H H 8.246 0 1 334 120 120 GLY CA C 45.397 0 1 335 120 120 GLY N N 106.879 0 1 336 121 121 HIS H H 8.199 0 1 337 121 121 HIS CA C 55.837 0 1 338 121 121 HIS N N 118.776 0 1 339 122 122 VAL H H 8.219 0 1 340 122 122 VAL CA C 62.622 0 1 341 122 122 VAL N N 122.053 0 1 342 123 123 THR H H 8.406 0 1 343 123 123 THR CA C 62.421 0 1 344 123 123 THR N N 119.102 0 1 345 124 124 GLN H H 8.522 0 1 346 124 124 GLN CA C 56.005 0 1 347 124 124 GLN N N 123.434 0 1 348 125 125 ALA H H 8.454 0 1 349 125 125 ALA CA C 52.786 0 1 350 125 125 ALA N N 125.451 0 1 351 126 126 ARG H H 8.373 0 1 352 126 126 ARG CA C 56.323 0 1 353 126 126 ARG N N 120.017 0 1 354 128 128 VAL H H 8.514 0 1 355 128 128 VAL CA C 62.334 0 1 356 128 128 VAL N N 120.133 0 1 357 129 129 SER H H 8.517 0 1 358 129 129 SER CA C 58.325 0 1 359 129 129 SER N N 120.019 0 1 360 130 130 LYS H H 8.552 0 1 361 130 130 LYS CA C 56.313 0 1 362 130 130 LYS N N 123.997 0 1 363 131 131 SER H H 8.456 0 1 364 131 131 SER CA C 58.485 0 1 365 131 131 SER N N 117.349 0 1 366 132 132 LYS H H 8.589 0 1 367 132 132 LYS CA C 56.584 0 1 368 132 132 LYS N N 123.624 0 1 369 133 133 ASP H H 8.376 0 1 370 133 133 ASP CA C 54.346 0 1 371 133 133 ASP N N 120.818 0 1 372 134 134 GLY H H 8.447 0 1 373 134 134 GLY CA C 45.588 0 1 374 134 134 GLY N N 109.559 0 1 375 135 135 THR H H 8.285 0 1 376 135 135 THR CA C 62.285 0 1 377 135 135 THR N N 113.069 0 1 378 136 136 GLY H H 8.678 0 1 379 136 136 GLY CA C 45.447 0 1 380 136 136 GLY N N 111.604 0 1 381 137 137 SER H H 8.354 0 1 382 137 137 SER CA C 58.578 0 1 383 137 137 SER N N 115.887 0 1 384 138 138 ASP H H 8.563 0 1 385 138 138 ASP CA C 54.532 0 1 386 138 138 ASP N N 122.346 0 1 387 139 139 ASP H H 8.302 0 1 388 139 139 ASP CA C 54.476 0 1 389 139 139 ASP N N 120.929 0 1 390 140 140 LYS H H 8.3 0 1 391 140 140 LYS CA C 56.723 0 1 392 140 140 LYS N N 120.869 0 1 393 141 141 LYS H H 8.242 0 1 394 141 141 LYS CA C 56.528 0 1 395 141 141 LYS N N 121.482 0 1 396 142 142 ALA H H 8.293 0 1 397 142 142 ALA CA C 52.645 0 1 398 142 142 ALA N N 125.004 0 1 399 143 143 LYS H H 8.4 0 1 400 143 143 LYS CA C 56.444 0 1 401 143 143 LYS N N 120.9 0 1 402 144 144 GLY H H 8.502 0 1 403 144 144 GLY CA C 45.104 0 1 404 144 144 GLY N N 109.856 0 1 405 145 145 ALA H H 8.38 0 1 406 145 145 ALA CA C 52.88 0 1 407 145 145 ALA N N 124.051 0 1 408 146 146 ASP H H 8.417 0 1 409 146 146 ASP CA C 54.321 0 1 410 146 146 ASP N N 118.805 0 1 411 147 147 GLY H H 8.365 0 1 412 147 147 GLY CA C 45.613 0 1 413 147 147 GLY N N 108.993 0 1 414 148 148 LYS H H 8.205 0 1 415 148 148 LYS CA C 56.357 0 1 416 148 148 LYS N N 120.429 0 1 417 149 149 THR H H 8.325 0 1 418 149 149 THR CA C 62.329 0 1 419 149 149 THR N N 116.406 0 1 420 150 150 LYS H H 8.538 0 1 421 150 150 LYS CA C 56.176 0 1 422 150 150 LYS N N 125.372 0 1 423 151 151 ILE H H 8.33 0 1 424 151 151 ILE CA C 60.805 0 1 425 151 151 ILE N N 123.448 0 1 426 152 152 ALA H H 8.562 0 1 427 152 152 ALA CA C 52.262 0 1 428 152 152 ALA N N 129.338 0 1 429 154 154 PRO CA C 62.812 0 1 430 155 155 ARG H H 8.638 0 1 431 155 155 ARG CA C 56.202 0 1 432 155 155 ARG N N 122.269 0 1 433 156 156 GLY H H 8.545 0 1 434 156 156 GLY CA C 45.398 0 1 435 156 156 GLY N N 110.592 0 1 436 157 157 ALA H H 8.204 0 1 437 157 157 ALA CA C 52.091 0 1 438 157 157 ALA N N 123.754 0 1 439 158 158 ALA H H 8.408 0 1 440 158 158 ALA CA C 50.394 0 1 441 158 158 ALA N N 125.124 0 1 442 160 160 PRO CA C 63.52 0 1 443 161 161 GLY H H 8.58 0 1 444 161 161 GLY CA C 45.338 0 1 445 161 161 GLY N N 109.027 0 1 446 162 162 GLN H H 8.254 0 1 447 162 162 GLN CA C 55.788 0 1 448 162 162 GLN N N 119.917 0 1 449 163 163 LYS H H 8.623 0 1 450 163 163 LYS CA C 56.752 0 1 451 163 163 LYS N N 123.347 0 1 452 164 164 GLY H H 8.599 0 1 453 164 164 GLY CA C 45.415 0 1 454 164 164 GLY N N 110.407 0 1 455 165 165 GLN H H 8.306 0 1 456 165 165 GLN CA C 55.681 0 1 457 165 165 GLN N N 119.948 0 1 458 166 166 ALA H H 8.542 0 1 459 166 166 ALA CA C 52.902 0 1 460 166 166 ALA N N 125.393 0 1 461 167 167 ASN H H 8.505 0 1 462 167 167 ASN CA C 53.338 0 1 463 167 167 ASN N N 117.83 0 1 464 168 168 ALA H H 8.32 0 1 465 168 168 ALA CA C 52.962 0 1 466 168 168 ALA N N 124.319 0 1 467 169 169 THR H H 8.21 0 1 468 169 169 THR CA C 61.696 0 1 469 169 169 THR N N 114.06 0 1 470 172 172 PRO CA C 62.985 0 1 471 174 174 LYS H H 8.475 0 1 472 174 174 LYS CA C 56.375 0 1 473 174 174 LYS N N 121.126 0 1 474 175 175 THR H H 8.388 0 1 475 175 175 THR CA C 60.014 0 1 476 175 175 THR N N 119.393 0 1 477 177 177 PRO CA C 62.586 0 1 478 178 178 ALA H H 8.497 0 1 479 178 178 ALA CA C 50.405 0 1 480 178 178 ALA N N 125.886 0 1 481 179 179 PRO CA C 62.847 0 1 482 180 180 LYS H H 8.605 0 1 483 180 180 LYS CA C 56.164 0 1 484 180 180 LYS N N 122.194 0 1 485 183 183 PRO CA C 62.895 0 1 486 184 184 SER H H 8.61 0 1 487 184 184 SER CA C 58.317 0 1 488 184 184 SER N N 116.594 0 1 489 185 185 SER H H 8.542 0 1 490 185 185 SER CA C 58.487 0 1 491 185 185 SER N N 117.985 0 1 492 186 186 GLY H H 8.455 0 1 493 186 186 GLY CA C 45.055 0 1 494 186 186 GLY N N 110.77 0 1 495 187 187 GLU H H 8.295 0 1 496 187 187 GLU CA C 54.222 0 1 497 187 187 GLU N N 121.879 0 1 498 189 189 PRO CA C 62.893 0 1 499 190 190 LYS H H 8.629 0 1 500 190 190 LYS CA C 56.255 0 1 501 190 190 LYS N N 122.23 0 1 502 191 191 SER H H 8.49 0 1 503 191 191 SER CA C 58.535 0 1 504 191 191 SER N N 117.077 0 1 505 192 192 GLY H H 8.575 0 1 506 192 192 GLY CA C 45.304 0 1 507 192 192 GLY N N 111.157 0 1 508 193 193 ASP H H 8.265 0 1 509 193 193 ASP CA C 54.429 0 1 510 193 193 ASP N N 120.354 0 1 511 194 194 ARG H H 8.582 0 1 512 194 194 ARG CA C 55.926 0 1 513 194 194 ARG N N 122.294 0 1 514 195 195 SER H H 8.502 0 1 515 195 195 SER CA C 59.332 0 1 516 195 195 SER N N 117.044 0 1 517 196 196 GLY H H 8.512 0 1 518 196 196 GLY CA C 45.319 0 1 519 196 196 GLY N N 110.706 0 1 520 197 197 TYR H H 8.101 0 1 521 197 197 TYR CA C 58.034 0 1 522 197 197 TYR N N 120.321 0 1 523 198 198 SER H H 8.234 0 1 524 198 198 SER CA C 57.843 0 1 525 198 198 SER N N 118.284 0 1 526 199 199 SER H H 8.41 0 1 527 199 199 SER CA C 56.473 0 1 528 199 199 SER N N 119.088 0 1 529 201 201 GLY H H 8.526 0 1 530 201 201 GLY CA C 45.575 0 1 531 201 201 GLY N N 109.511 0 1 532 202 202 SER H H 8.202 0 1 533 202 202 SER CA C 56.592 0 1 534 202 202 SER N N 116.82 0 1 535 203 203 PRO CA C 63.742 0 1 536 204 204 GLY H H 8.551 0 1 537 204 204 GLY CA C 45.313 0 1 538 204 204 GLY N N 109.385 0 1 539 205 205 THR H H 8.154 0 1 540 205 205 THR CA C 59.87 0 1 541 205 205 THR N N 115.804 0 1 542 209 209 ARG H H 8.566 0 1 543 209 209 ARG CA C 55.963 0 1 544 209 209 ARG N N 123.017 0 1 545 210 210 SER H H 8.405 0 1 546 210 210 SER CA C 59.446 0 1 547 210 210 SER N N 116.884 0 1 548 211 211 ARG H H 8.524 0 1 549 211 211 ARG CA C 55.946 0 1 550 211 211 ARG N N 123.259 0 1 551 398 398 VAL H H 8.326 0 1 552 398 398 VAL CA C 62.399 0 1 553 398 398 VAL N N 121.502 0 1 554 400 400 SER H H 8.57 0 1 555 400 400 SER CA C 58.405 0 1 556 400 400 SER N N 120.435 0 1 557 401 401 GLY H H 8.57 0 1 558 401 401 GLY CA C 45.342 0 1 559 401 401 GLY N N 111.319 0 1 560 402 402 ASP H H 8.348 0 1 561 402 402 ASP CA C 54.33 0 1 562 402 402 ASP N N 120.332 0 1 563 403 403 THR H H 8.295 0 1 564 403 403 THR CA C 61.59 0 1 565 403 403 THR N N 114.535 0 1 566 404 404 SER H H 8.42 0 1 567 404 404 SER CA C 56.965 0 1 568 404 404 SER N N 120.102 0 1 569 405 405 PRO CA C 63.156 0 1 570 406 406 ARG H H 8.578 0 1 571 406 406 ARG CA C 56.029 0 1 572 406 406 ARG N N 121.872 0 1 573 409 409 SER H H 8.416 0 1 574 409 409 SER CA C 58.289 0 1 575 409 409 SER N N 116.474 0 1 576 410 410 ASN H H 8.571 0 1 577 410 410 ASN CA C 53.325 0 1 578 410 410 ASN N N 120.98 0 1 579 411 411 VAL H H 8.154 0 1 580 411 411 VAL CA C 62.32 0 1 581 411 411 VAL N N 119.989 0 1 582 412 412 SER H H 8.54 0 1 583 412 412 SER CA C 58.256 0 1 584 412 412 SER N N 119.693 0 1 585 413 413 SER H H 8.603 0 1 586 413 413 SER CA C 58.61 0 1 587 413 413 SER N N 118.531 0 1 588 414 414 THR H H 8.305 0 1 589 414 414 THR CA C 62.185 0 1 590 414 414 THR N N 114.912 0 1 591 415 415 GLY H H 8.432 0 1 592 415 415 GLY CA C 45.263 0 1 593 415 415 GLY N N 111.168 0 1 594 416 416 SER H H 8.255 0 1 595 416 416 SER CA C 58.206 0 1 596 416 416 SER N N 115.737 0 1 597 417 417 ILE H H 8.335 0 1 598 417 417 ILE CA C 61.259 0 1 599 417 417 ILE N N 122.294 0 1 600 418 418 ASP H H 8.436 0 1 601 418 418 ASP CA C 54.439 0 1 602 418 418 ASP N N 123.953 0 1 603 419 419 MET H H 8.349 0 1 604 419 419 MET CA C 55.36 0 1 605 419 419 MET N N 121.136 0 1 606 420 420 VAL H H 8.233 0 1 607 420 420 VAL CA C 62.401 0 1 608 420 420 VAL N N 121.561 0 1 609 421 421 ASP H H 8.501 0 1 610 421 421 ASP CA C 54.323 0 1 611 421 421 ASP N N 123.86 0 1 612 422 422 SER H H 8.263 0 1 613 422 422 SER CA C 56.408 0 1 614 422 422 SER N N 117.215 0 1 615 423 423 PRO CA C 63.52 0 1 616 424 424 GLN H H 8.575 0 1 617 424 424 GLN CA C 55.8 0 1 618 424 424 GLN N N 120.664 0 1 619 425 425 LEU H H 8.339 0 1 620 425 425 LEU CA C 55.159 0 1 621 425 425 LEU N N 123.998 0 1 622 426 426 ALA H H 8.408 0 1 623 426 426 ALA CA C 52.687 0 1 624 426 426 ALA N N 125.046 0 1 625 427 427 THR H H 8.215 0 1 626 427 427 THR CA C 61.924 0 1 627 427 427 THR N N 113.949 0 1 628 428 428 LEU H H 8.358 0 1 629 428 428 LEU CA C 55.461 0 1 630 428 428 LEU N N 124.753 0 1 631 429 429 ALA H H 8.367 0 1 632 429 429 ALA CA C 52.944 0 1 633 429 429 ALA N N 124.298 0 1 634 430 430 ASP H H 8.3 0 1 635 430 430 ASP CA C 54.783 0 1 636 430 430 ASP N N 119.52 0 1 637 431 431 GLU H H 8.382 0 1 638 431 431 GLU CA C 57.483 0 1 639 431 431 GLU N N 121.239 0 1 640 432 432 VAL H H 8.265 0 1 641 432 432 VAL CA C 63.729 0 1 642 432 432 VAL N N 121.571 0 1 643 433 433 SER H H 8.419 0 1 644 433 433 SER CA C 59.601 0 1 645 433 433 SER N N 118.443 0 1 646 434 434 ALA H H 8.394 0 1 647 434 434 ALA CA C 53.581 0 1 648 434 434 ALA N N 125.791 0 1 649 435 435 SER H H 8.19 0 1 650 435 435 SER CA C 59.368 0 1 651 435 435 SER N N 114.427 0 1 652 436 436 LEU H H 8.113 0 1 653 436 436 LEU CA C 55.875 0 1 654 436 436 LEU N N 123.641 0 1 655 437 437 ALA H H 8.111 0 1 656 437 437 ALA CA C 53.071 0 1 657 437 437 ALA N N 123.521 0 1 658 438 438 LYS H H 8.137 0 1 659 438 438 LYS CA C 56.577 0 1 660 438 438 LYS N N 119.849 0 1 661 439 439 GLN H H 8.3 0 1 662 439 439 GLN CA C 56.114 0 1 663 439 439 GLN N N 120.845 0 1 664 440 440 GLY H H 8.45 0 1 665 440 440 GLY CA C 45.224 0 1 666 440 440 GLY N N 110.414 0 1 667 441 441 LEU H H 7.857 0 1 668 441 441 LEU CA C 56.466 0 1 669 441 441 LEU N N 127.108 0 1 stop_ save_