data_27750 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; G335A TDP-43_267-414 ; _BMRB_accession_number 27750 _BMRB_flat_file_name bmr27750.str _Entry_type original _Submission_date 2019-01-11 _Accession_date 2019-01-11 _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 Conicella Alexander E. . 2 D'Ordine Alexandra M. . 3 Fawzi Nicolas L. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 142 "13C chemical shifts" 257 "15N chemical shifts" 142 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-04-07 update BMRB 'update entry citation' 2019-10-30 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27751 'G335N TDP-43_267-414 Monomer' stop_ _Original_release_date 2019-01-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; TDP-43 alpha-helical structure tunes liquid-liquid phase separation and function ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 32132204 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Conicella Alexander E. . 2 Dignon Gregory L. . 3 Zerze Gul H. . 4 Schmidt 'Hermann Broder' B. . 5 D'Ordine Alexandra M. . 6 Kim Young C. . 7 Rohatgi Rajat . . 8 Ayala Yuna M. . 9 Mittal Jeetain . . 10 Fawzi Nicolas L. . stop_ _Journal_abbreviation 'Proc. Natl. Acad. Sci. U.S.A.' _Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Journal_volume 117 _Journal_issue 11 _Journal_ISSN 1091-6490 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 5883 _Page_last 5894 _Year 2020 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'G335A TDP-43_267-414 Monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'G335A TDP-43_267-414 Monomer' $G335A_TDP-43_267-414 stop_ _System_molecular_weight . _System_physical_state 'intrinsically disordered' _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_G335A_TDP-43_267-414 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common G335A_TDP-43_267-414 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 151 _Mol_residue_sequence ; GHMNRQLERSGRFGGNPGGF GNQGGFGNSRGGGAGLGNNQ GSNMGGGMNFGAFSINPAMM AAAQAALQSSWAMMGMLASQ QNQSGPSGNNQNQGNMQREP NQAFGSGNNSYSGSNSGAAI GWGSASNAGSGSGFNGGFGS SMDSKSSGWGM ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 264 GLY 2 265 HIS 3 266 MET 4 267 ASN 5 268 ARG 6 269 GLN 7 270 LEU 8 271 GLU 9 272 ARG 10 273 SER 11 274 GLY 12 275 ARG 13 276 PHE 14 277 GLY 15 278 GLY 16 279 ASN 17 280 PRO 18 281 GLY 19 282 GLY 20 283 PHE 21 284 GLY 22 285 ASN 23 286 GLN 24 287 GLY 25 288 GLY 26 289 PHE 27 290 GLY 28 291 ASN 29 292 SER 30 293 ARG 31 294 GLY 32 295 GLY 33 296 GLY 34 297 ALA 35 298 GLY 36 299 LEU 37 300 GLY 38 301 ASN 39 302 ASN 40 303 GLN 41 304 GLY 42 305 SER 43 306 ASN 44 307 MET 45 308 GLY 46 309 GLY 47 310 GLY 48 311 MET 49 312 ASN 50 313 PHE 51 314 GLY 52 315 ALA 53 316 PHE 54 317 SER 55 318 ILE 56 319 ASN 57 320 PRO 58 321 ALA 59 322 MET 60 323 MET 61 324 ALA 62 325 ALA 63 326 ALA 64 327 GLN 65 328 ALA 66 329 ALA 67 330 LEU 68 331 GLN 69 332 SER 70 333 SER 71 334 TRP 72 335 ALA 73 336 MET 74 337 MET 75 338 GLY 76 339 MET 77 340 LEU 78 341 ALA 79 342 SER 80 343 GLN 81 344 GLN 82 345 ASN 83 346 GLN 84 347 SER 85 348 GLY 86 349 PRO 87 350 SER 88 351 GLY 89 352 ASN 90 353 ASN 91 354 GLN 92 355 ASN 93 356 GLN 94 357 GLY 95 358 ASN 96 359 MET 97 360 GLN 98 361 ARG 99 362 GLU 100 363 PRO 101 364 ASN 102 365 GLN 103 366 ALA 104 367 PHE 105 368 GLY 106 369 SER 107 370 GLY 108 371 ASN 109 372 ASN 110 373 SER 111 374 TYR 112 375 SER 113 376 GLY 114 377 SER 115 378 ASN 116 379 SER 117 380 GLY 118 381 ALA 119 382 ALA 120 383 ILE 121 384 GLY 122 385 TRP 123 386 GLY 124 387 SER 125 388 ALA 126 389 SER 127 390 ASN 128 391 ALA 129 392 GLY 130 393 SER 131 394 GLY 132 395 SER 133 396 GLY 134 397 PHE 135 398 ASN 136 399 GLY 137 400 GLY 138 401 PHE 139 402 GLY 140 403 SER 141 404 SER 142 405 MET 143 406 ASP 144 407 SER 145 408 LYS 146 409 SER 147 410 SER 148 411 GLY 149 412 TRP 150 413 GLY 151 414 MET 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 $G335A_TDP-43_267-414 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 $G335A_TDP-43_267-414 'recombinant technology' . Escherichia coli . pJ411 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_assignment _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $G335A_TDP-43_267-414 50 uM 10 90 '[U-99% 13C; U-99% 15N]' MES 20 mM . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Bruker_Avance_III_850_MHz_1H _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 850 _Details 'TCI cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $assignment save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $assignment save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $assignment save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.1 . pH pressure 1 . atm temperature 298 . 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 water C 13 protons ppm 4.7 . indirect . . . 0.251449530 water H 1 protons ppm 4.7 internal direct . . . 1.000000000 water N 15 protons ppm 4.7 . 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_G335A_TDP-43_267-414_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' stop_ loop_ _Sample_label $assignment stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'G335A TDP-43_267-414 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 1 268 5 ARG CA C 56.469 0.000 . 2 268 5 ARG CB C 30.531 0.000 . 3 269 6 GLN H H 8.404 0.002 . 4 269 6 GLN CA C 56.348 0.099 . 5 269 6 GLN CB C 29.120 0.039 . 6 269 6 GLN N N 121.076 0.004 . 7 270 7 LEU H H 8.199 0.001 . 8 270 7 LEU CA C 55.376 0.066 . 9 270 7 LEU CB C 42.312 0.063 . 10 270 7 LEU N N 122.869 0.032 . 11 271 8 GLU H H 8.324 0.001 . 12 271 8 GLU CA C 56.794 0.043 . 13 271 8 GLU CB C 30.250 0.015 . 14 271 8 GLU N N 121.790 0.058 . 15 272 9 ARG H H 8.366 0.001 . 16 272 9 ARG CA C 56.356 0.095 . 17 272 9 ARG CB C 30.607 0.034 . 18 272 9 ARG N N 121.822 0.013 . 19 273 10 SER H H 8.274 0.003 . 20 273 10 SER CA C 58.532 0.104 . 21 273 10 SER CB C 63.911 0.024 . 22 273 10 SER N N 116.243 0.093 . 23 274 11 GLY H H 8.378 0.002 . 24 274 11 GLY CA C 45.374 0.041 . 25 274 11 GLY N N 110.444 0.041 . 26 275 12 ARG H H 8.068 0.001 . 27 275 12 ARG CA C 56.350 0.042 . 28 275 12 ARG CB C 30.574 0.032 . 29 275 12 ARG N N 120.333 0.016 . 30 276 13 PHE H H 8.312 0.004 . 31 276 13 PHE CA C 57.635 0.046 . 32 276 13 PHE CB C 39.511 0.040 . 33 276 13 PHE N N 120.842 0.046 . 34 277 14 GLY H H 8.263 0.001 . 35 277 14 GLY CA C 45.378 0.071 . 36 277 14 GLY N N 110.647 0.029 . 37 278 15 GLY H H 7.893 0.001 . 38 278 15 GLY CA C 44.981 0.024 . 39 278 15 GLY N N 107.817 0.005 . 40 279 16 ASN H H 8.334 0.004 . 41 279 16 ASN CA C 51.326 0.000 . 42 279 16 ASN CB C 38.790 0.000 . 43 279 16 ASN N N 118.985 0.021 . 44 280 17 PRO CA C 63.809 0.041 . 45 280 17 PRO CB C 31.917 0.000 . 46 281 18 GLY H H 8.383 0.001 . 47 281 18 GLY CA C 45.393 0.058 . 48 281 18 GLY N N 108.594 0.022 . 49 282 19 GLY H H 8.033 0.004 . 50 282 19 GLY CA C 45.158 0.029 . 51 282 19 GLY N N 108.114 0.012 . 52 283 20 PHE H H 8.139 0.004 . 53 283 20 PHE CA C 57.961 0.020 . 54 283 20 PHE CB C 39.485 0.127 . 55 283 20 PHE N N 119.646 0.049 . 56 284 21 GLY H H 8.395 0.002 . 57 284 21 GLY CA C 45.468 0.036 . 58 284 21 GLY N N 110.200 0.056 . 59 285 22 ASN H H 8.270 0.007 . 60 285 22 ASN CA C 53.428 0.099 . 61 285 22 ASN CB C 38.733 0.078 . 62 285 22 ASN N N 118.552 0.073 . 63 286 23 GLN H H 8.451 0.003 . 64 286 23 GLN CA C 56.233 0.024 . 65 286 23 GLN CB C 29.246 0.010 . 66 286 23 GLN N N 120.439 0.023 . 67 287 24 GLY H H 8.383 0.004 . 68 287 24 GLY CA C 45.434 0.063 . 69 287 24 GLY N N 109.395 0.048 . 70 288 25 GLY H H 8.105 0.000 . 71 288 25 GLY CA C 45.157 0.028 . 72 288 25 GLY N N 108.265 0.008 . 73 289 26 PHE H H 8.141 0.001 . 74 289 26 PHE CA C 57.961 0.020 . 75 289 26 PHE CB C 39.485 0.127 . 76 289 26 PHE N N 119.632 0.033 . 77 290 27 GLY H H 8.395 0.002 . 78 290 27 GLY CA C 45.468 0.036 . 79 290 27 GLY N N 110.200 0.056 . 80 291 28 ASN H H 8.273 0.003 . 81 291 28 ASN CA C 53.246 0.133 . 82 291 28 ASN CB C 38.908 0.081 . 83 291 28 ASN N N 118.531 0.032 . 84 292 29 SER H H 8.309 0.001 . 85 292 29 SER CA C 58.730 0.053 . 86 292 29 SER CB C 63.894 0.199 . 87 292 29 SER N N 116.161 0.046 . 88 293 30 ARG H H 8.366 0.004 . 89 293 30 ARG CA C 56.391 0.096 . 90 293 30 ARG CB C 30.569 0.138 . 91 293 30 ARG N N 122.441 0.058 . 92 294 31 GLY H H 8.324 0.003 . 93 294 31 GLY CA C 45.369 0.045 . 94 294 31 GLY N N 109.441 0.034 . 95 295 32 GLY H H 8.256 0.004 . 96 295 32 GLY CA C 45.356 0.053 . 97 295 32 GLY N N 108.596 0.023 . 98 296 33 GLY H H 8.288 0.001 . 99 296 33 GLY CA C 45.273 0.055 . 100 296 33 GLY N N 108.718 0.048 . 101 297 34 ALA H H 8.232 0.002 . 102 297 34 ALA CA C 52.569 0.060 . 103 297 34 ALA CB C 19.287 0.047 . 104 297 34 ALA N N 123.632 0.023 . 105 298 35 GLY H H 8.354 0.002 . 106 298 35 GLY CA C 45.388 0.051 . 107 298 35 GLY N N 107.916 0.027 . 108 299 36 LEU H H 8.096 0.001 . 109 299 36 LEU CA C 55.232 0.024 . 110 299 36 LEU CB C 42.366 0.034 . 111 299 36 LEU N N 121.243 0.019 . 112 300 37 GLY H H 8.413 0.003 . 113 300 37 GLY CA C 45.472 0.040 . 114 300 37 GLY N N 109.104 0.021 . 115 301 38 ASN H H 8.273 0.003 . 116 301 38 ASN CA C 53.253 0.159 . 117 301 38 ASN CB C 38.793 0.013 . 118 301 38 ASN N N 118.531 0.032 . 119 302 39 ASN H H 8.458 0.003 . 120 302 39 ASN CA C 53.515 0.067 . 121 302 39 ASN CB C 38.769 0.114 . 122 302 39 ASN N N 119.005 0.007 . 123 303 40 GLN H H 8.340 0.005 . 124 303 40 GLN CA C 56.226 0.033 . 125 303 40 GLN CB C 29.235 0.023 . 126 303 40 GLN N N 120.436 0.063 . 127 304 41 GLY H H 8.385 0.004 . 128 304 41 GLY CA C 45.402 0.072 . 129 304 41 GLY N N 109.416 0.055 . 130 305 42 SER H H 8.174 0.002 . 131 305 42 SER CA C 58.431 0.096 . 132 305 42 SER CB C 63.930 0.046 . 133 305 42 SER N N 115.446 0.038 . 134 306 43 ASN H H 8.493 0.005 . 135 306 43 ASN CA C 53.374 0.153 . 136 306 43 ASN CB C 38.473 0.080 . 137 306 43 ASN N N 120.417 0.027 . 138 307 44 MET H H 8.300 0.003 . 139 307 44 MET CA C 55.846 0.286 . 140 307 44 MET CB C 32.518 0.040 . 141 307 44 MET N N 120.304 0.067 . 142 308 45 GLY H H 8.374 0.005 . 143 308 45 GLY CA C 45.474 0.024 . 144 308 45 GLY N N 109.466 0.085 . 145 309 46 GLY H H 8.233 0.003 . 146 309 46 GLY CA C 45.428 0.063 . 147 309 46 GLY N N 108.560 0.015 . 148 310 47 GLY H H 8.271 0.001 . 149 310 47 GLY CA C 45.297 0.074 . 150 310 47 GLY N N 108.511 0.002 . 151 311 48 MET H H 8.171 0.003 . 152 311 48 MET CA C 55.407 0.048 . 153 311 48 MET CB C 32.759 0.077 . 154 311 48 MET N N 119.328 0.017 . 155 312 49 ASN H H 8.311 0.003 . 156 312 49 ASN CA C 52.966 0.098 . 157 312 49 ASN CB C 38.775 0.049 . 158 312 49 ASN N N 119.362 0.020 . 159 313 50 PHE H H 8.211 0.001 . 160 313 50 PHE CA C 58.146 0.119 . 161 313 50 PHE CB C 39.325 0.093 . 162 313 50 PHE N N 120.878 0.032 . 163 314 51 GLY H H 8.281 0.002 . 164 314 51 GLY CA C 45.525 0.056 . 165 314 51 GLY N N 109.839 0.028 . 166 315 52 ALA H H 7.993 0.002 . 167 315 52 ALA CA C 52.734 0.083 . 168 315 52 ALA CB C 19.107 0.067 . 169 315 52 ALA N N 123.543 0.018 . 170 316 53 PHE H H 8.020 0.004 . 171 316 53 PHE CA C 57.579 0.049 . 172 316 53 PHE CB C 39.482 0.064 . 173 316 53 PHE N N 118.121 0.028 . 174 317 54 SER H H 8.009 0.003 . 175 317 54 SER CA C 58.088 0.027 . 176 317 54 SER CB C 63.922 0.007 . 177 317 54 SER N N 116.530 0.020 . 178 318 55 ILE H H 7.981 0.001 . 179 318 55 ILE CA C 60.888 0.086 . 180 318 55 ILE CB C 38.954 0.000 . 181 318 55 ILE N N 121.311 0.021 . 182 319 56 ASN H H 8.236 0.002 . 183 319 56 ASN CA C 51.291 0.000 . 184 319 56 ASN CB C 38.900 0.000 . 185 319 56 ASN N N 123.311 0.023 . 186 320 57 PRO CA C 64.587 0.000 . 187 320 57 PRO CB C 32.042 0.000 . 188 321 58 ALA H H 8.118 0.002 . 189 321 58 ALA CA C 53.892 0.025 . 190 321 58 ALA CB C 18.527 0.009 . 191 321 58 ALA N N 121.148 0.006 . 192 322 59 MET H H 7.946 0.004 . 193 322 59 MET CA C 56.462 0.047 . 194 322 59 MET CB C 32.739 0.101 . 195 322 59 MET N N 118.044 0.012 . 196 323 60 MET H H 7.959 0.002 . 197 323 60 MET CA C 56.887 0.077 . 198 323 60 MET CB C 32.735 0.104 . 199 323 60 MET N N 120.240 0.039 . 200 324 61 ALA H H 8.168 0.002 . 201 324 61 ALA CA C 53.918 0.023 . 202 324 61 ALA CB C 18.517 0.007 . 203 324 61 ALA N N 123.312 0.029 . 204 325 62 ALA H H 8.041 0.002 . 205 325 62 ALA CA C 53.873 0.021 . 206 325 62 ALA CB C 18.506 0.004 . 207 325 62 ALA N N 121.931 0.012 . 208 326 63 ALA H H 8.041 0.002 . 209 326 63 ALA CA C 53.858 0.006 . 210 326 63 ALA CB C 18.553 0.050 . 211 326 63 ALA N N 121.931 0.012 . 212 327 64 GLN H H 8.057 0.001 . 213 327 64 GLN CA C 57.376 0.005 . 214 327 64 GLN CB C 28.716 0.045 . 215 327 64 GLN N N 118.065 0.018 . 216 328 65 ALA H H 8.049 0.002 . 217 328 65 ALA CA C 53.840 0.005 . 218 328 65 ALA CB C 18.610 0.057 . 219 328 65 ALA N N 122.985 0.028 . 220 329 66 ALA H H 7.910 0.004 . 221 329 66 ALA CA C 53.514 0.092 . 222 329 66 ALA CB C 18.587 0.026 . 223 329 66 ALA N N 121.107 0.012 . 224 330 67 LEU H H 7.817 0.001 . 225 330 67 LEU CA C 56.237 0.061 . 226 330 67 LEU CB C 42.126 0.002 . 227 330 67 LEU N N 119.850 0.005 . 228 331 68 GLN H H 8.039 0.003 . 229 331 68 GLN CA C 56.843 0.009 . 230 331 68 GLN CB C 28.846 0.007 . 231 331 68 GLN N N 118.952 0.008 . 232 332 69 SER H H 8.104 0.001 . 233 332 69 SER CA C 59.285 0.000 . 234 332 69 SER CB C 63.396 0.002 . 235 332 69 SER N N 115.364 0.013 . 236 333 70 SER H H 8.129 0.003 . 237 333 70 SER CA C 59.517 0.000 . 238 333 70 SER CB C 63.353 0.008 . 239 333 70 SER N N 117.472 0.022 . 240 334 71 TRP H H 8.024 0.002 . 241 334 71 TRP CA C 58.394 0.071 . 242 334 71 TRP CB C 29.175 0.104 . 243 334 71 TRP N N 122.582 0.013 . 244 335 72 ALA H H 7.974 0.003 . 245 335 72 ALA CA C 53.735 0.037 . 246 335 72 ALA CB C 18.639 0.094 . 247 335 72 ALA N N 123.005 0.019 . 248 336 73 MET H H 7.906 0.003 . 249 336 73 MET CA C 56.329 0.038 . 250 336 73 MET CB C 32.405 0.000 . 251 336 73 MET N N 117.418 0.022 . 252 337 74 MET H H 8.016 0.002 . 253 337 74 MET CA C 56.528 0.052 . 254 337 74 MET CB C 32.664 0.037 . 255 337 74 MET N N 119.068 0.009 . 256 338 75 GLY H H 8.191 0.001 . 257 338 75 GLY CA C 45.882 0.034 . 258 338 75 GLY N N 108.620 0.020 . 259 339 76 MET H H 7.985 0.001 . 260 339 76 MET CA C 56.177 0.031 . 261 339 76 MET CB C 32.877 0.103 . 262 339 76 MET N N 119.627 0.020 . 263 340 77 LEU H H 8.116 0.003 . 264 340 77 LEU CA C 55.615 0.116 . 265 340 77 LEU CB C 42.229 0.019 . 266 340 77 LEU N N 121.863 0.023 . 267 341 78 ALA H H 8.162 0.002 . 268 341 78 ALA CA C 53.181 0.029 . 269 341 78 ALA CB C 18.915 0.009 . 270 341 78 ALA N N 123.780 0.011 . 271 342 79 SER H H 8.053 0.001 . 272 342 79 SER CA C 58.899 0.028 . 273 342 79 SER CB C 63.605 0.016 . 274 342 79 SER N N 113.653 0.020 . 275 343 80 GLN H H 8.166 0.002 . 276 343 80 GLN CA C 56.256 0.093 . 277 343 80 GLN CB C 29.261 0.056 . 278 343 80 GLN N N 121.306 0.015 . 279 344 81 GLN H H 8.209 0.003 . 280 344 81 GLN CA C 56.262 0.080 . 281 344 81 GLN CB C 29.310 0.041 . 282 344 81 GLN N N 120.171 0.012 . 283 345 82 ASN H H 8.383 0.008 . 284 345 82 ASN CA C 53.529 0.059 . 285 345 82 ASN CB C 38.834 0.074 . 286 345 82 ASN N N 119.191 0.022 . 287 346 83 GLN H H 8.347 0.003 . 288 346 83 GLN CA C 56.085 0.097 . 289 346 83 GLN CB C 29.365 0.016 . 290 346 83 GLN N N 120.571 0.047 . 291 347 84 SER H H 8.333 0.001 . 292 347 84 SER CA C 58.524 0.163 . 293 347 84 SER CB C 64.012 0.054 . 294 347 84 SER N N 116.595 0.043 . 295 348 85 GLY H H 8.188 0.003 . 296 348 85 GLY CA C 44.706 0.000 . 297 348 85 GLY N N 110.445 0.017 . 298 349 86 PRO CA C 63.380 0.000 . 299 349 86 PRO CB C 32.135 0.084 . 300 350 87 SER H H 8.443 0.003 . 301 350 87 SER CA C 58.597 0.108 . 302 350 87 SER CB C 63.873 0.116 . 303 350 87 SER N N 115.828 0.026 . 304 351 88 GLY H H 8.322 0.002 . 305 351 88 GLY CA C 45.470 0.038 . 306 351 88 GLY N N 110.362 0.037 . 307 352 89 ASN H H 8.276 0.005 . 308 352 89 ASN CA C 53.265 0.147 . 309 352 89 ASN CB C 38.803 0.003 . 310 352 89 ASN N N 118.506 0.023 . 311 353 90 ASN H H 8.429 0.002 . 312 353 90 ASN CA C 53.539 0.054 . 313 353 90 ASN CB C 38.683 0.048 . 314 353 90 ASN N N 119.045 0.023 . 315 354 91 GLN H H 8.361 0.003 . 316 354 91 GLN CA C 56.222 0.114 . 317 354 91 GLN CB C 29.248 0.102 . 318 354 91 GLN N N 119.992 0.032 . 319 355 92 ASN H H 8.424 0.004 . 320 355 92 ASN CA C 53.539 0.054 . 321 355 92 ASN CB C 38.683 0.048 . 322 355 92 ASN N N 119.014 0.028 . 323 356 93 GLN H H 8.361 0.003 . 324 356 93 GLN CA C 56.368 0.078 . 325 356 93 GLN CB C 29.215 0.024 . 326 356 93 GLN N N 119.992 0.032 . 327 357 94 GLY H H 8.407 0.002 . 328 357 94 GLY CA C 45.472 0.040 . 329 357 94 GLY N N 109.208 0.055 . 330 358 95 ASN H H 8.272 0.004 . 331 358 95 ASN CA C 53.287 0.089 . 332 358 95 ASN CB C 38.737 0.060 . 333 358 95 ASN N N 118.501 0.032 . 334 359 96 MET H H 8.284 0.007 . 335 359 96 MET CA C 55.703 0.106 . 336 359 96 MET CB C 32.731 0.059 . 337 359 96 MET N N 120.358 0.046 . 338 360 97 GLN H H 8.328 0.001 . 339 360 97 GLN CA C 55.901 0.046 . 340 360 97 GLN CB C 29.314 0.123 . 341 360 97 GLN N N 121.197 0.012 . 342 361 98 ARG H H 8.286 0.003 . 343 361 98 ARG CA C 55.953 0.102 . 344 361 98 ARG CB C 31.015 0.047 . 345 361 98 ARG N N 122.332 0.042 . 346 362 99 GLU H H 8.417 0.005 . 347 362 99 GLU CA C 54.493 0.000 . 348 362 99 GLU CB C 29.589 0.000 . 349 362 99 GLU N N 123.142 0.036 . 350 363 100 PRO CA C 63.566 0.152 . 351 363 100 PRO CB C 32.049 0.029 . 352 364 101 ASN H H 8.469 0.001 . 353 364 101 ASN CA C 53.488 0.142 . 354 364 101 ASN CB C 38.537 0.147 . 355 364 101 ASN N N 117.811 0.024 . 356 365 102 GLN H H 8.211 0.003 . 357 365 102 GLN CA C 55.901 0.073 . 358 365 102 GLN CB C 29.397 0.057 . 359 365 102 GLN N N 120.616 0.058 . 360 366 103 ALA H H 8.220 0.002 . 361 366 103 ALA CA C 52.685 0.156 . 362 366 103 ALA CB C 19.113 0.006 . 363 366 103 ALA N N 124.709 0.036 . 364 367 104 PHE H H 8.139 0.003 . 365 367 104 PHE CA C 57.772 0.087 . 366 367 104 PHE CB C 39.423 0.153 . 367 367 104 PHE N N 119.262 0.030 . 368 368 105 GLY H H 8.254 0.007 . 369 368 105 GLY CA C 45.398 0.042 . 370 368 105 GLY N N 110.604 0.014 . 371 369 106 SER H H 8.214 0.004 . 372 369 106 SER CA C 58.569 0.085 . 373 369 106 SER CB C 63.981 0.041 . 374 369 106 SER N N 115.486 0.019 . 375 370 107 GLY H H 8.462 0.003 . 376 370 107 GLY CA C 45.461 0.031 . 377 370 107 GLY N N 110.671 0.047 . 378 371 108 ASN H H 8.272 0.004 . 379 371 108 ASN CA C 53.285 0.127 . 380 371 108 ASN CB C 38.807 0.001 . 381 371 108 ASN N N 118.501 0.032 . 382 372 109 ASN H H 8.402 0.000 . 383 372 109 ASN CA C 53.447 0.099 . 384 372 109 ASN CB C 38.855 0.038 . 385 372 109 ASN N N 119.200 0.010 . 386 373 110 SER H H 8.187 0.007 . 387 373 110 SER CA C 58.615 0.077 . 388 373 110 SER CB C 63.841 0.112 . 389 373 110 SER N N 115.660 0.096 . 390 374 111 TYR H H 8.180 0.002 . 391 374 111 TYR CA C 57.984 0.094 . 392 374 111 TYR CB C 38.635 0.041 . 393 374 111 TYR N N 121.950 0.016 . 394 375 112 SER H H 8.200 0.003 . 395 375 112 SER CA C 58.257 0.048 . 396 375 112 SER CB C 63.975 0.115 . 397 375 112 SER N N 117.821 0.014 . 398 376 113 GLY H H 7.863 0.003 . 399 376 113 GLY CA C 45.385 0.049 . 400 376 113 GLY N N 110.345 0.013 . 401 377 114 SER H H 8.175 0.002 . 402 377 114 SER CA C 58.440 0.087 . 403 377 114 SER CB C 63.914 0.062 . 404 377 114 SER N N 115.397 0.064 . 405 378 115 ASN H H 8.479 0.003 . 406 378 115 ASN CA C 53.300 0.123 . 407 378 115 ASN CB C 38.749 0.021 . 408 378 115 ASN N N 120.730 0.027 . 409 379 116 SER H H 8.261 0.002 . 410 379 116 SER CA C 58.723 0.051 . 411 379 116 SER CB C 63.803 0.063 . 412 379 116 SER N N 116.012 0.025 . 413 380 117 GLY H H 8.364 0.005 . 414 380 117 GLY CA C 45.419 0.055 . 415 380 117 GLY N N 110.691 0.027 . 416 381 118 ALA H H 7.964 0.001 . 417 381 118 ALA CA C 52.441 0.024 . 418 381 118 ALA CB C 19.353 0.014 . 419 381 118 ALA N N 123.467 0.017 . 420 382 119 ALA H H 8.126 0.001 . 421 382 119 ALA CA C 52.435 0.025 . 422 382 119 ALA CB C 19.010 0.107 . 423 382 119 ALA N N 122.987 0.011 . 424 383 120 ILE H H 7.943 0.002 . 425 383 120 ILE CA C 61.309 0.125 . 426 383 120 ILE CB C 38.637 0.017 . 427 383 120 ILE N N 119.430 0.016 . 428 384 121 GLY H H 8.265 0.003 . 429 384 121 GLY CA C 45.258 0.038 . 430 384 121 GLY N N 112.146 0.153 . 431 385 122 TRP H H 8.024 0.001 . 432 385 122 TRP CA C 57.609 0.036 . 433 385 122 TRP CB C 29.560 0.106 . 434 385 122 TRP N N 121.137 0.016 . 435 386 123 GLY H H 8.265 0.004 . 436 386 123 GLY CA C 45.420 0.021 . 437 386 123 GLY N N 110.638 0.019 . 438 387 124 SER H H 8.081 0.001 . 439 387 124 SER CA C 58.340 0.056 . 440 387 124 SER CB C 64.065 0.089 . 441 387 124 SER N N 115.548 0.025 . 442 388 125 ALA H H 8.354 0.003 . 443 388 125 ALA CA C 52.681 0.049 . 444 388 125 ALA CB C 19.136 0.038 . 445 388 125 ALA N N 125.631 0.037 . 446 389 126 SER H H 8.188 0.003 . 447 389 126 SER CA C 58.577 0.128 . 448 389 126 SER CB C 63.695 0.061 . 449 389 126 SER N N 114.413 0.047 . 450 390 127 ASN H H 8.297 0.004 . 451 390 127 ASN CA C 53.154 0.078 . 452 390 127 ASN CB C 38.764 0.013 . 453 390 127 ASN N N 120.454 0.037 . 454 391 128 ALA H H 8.185 0.002 . 455 391 128 ALA CA C 52.986 0.095 . 456 391 128 ALA CB C 19.063 0.038 . 457 391 128 ALA N N 123.993 0.029 . 458 392 129 GLY H H 8.290 0.001 . 459 392 129 GLY CA C 45.369 0.032 . 460 392 129 GLY N N 107.803 0.052 . 461 393 130 SER H H 8.175 0.001 . 462 393 130 SER CA C 58.533 0.072 . 463 393 130 SER CB C 63.983 0.040 . 464 393 130 SER N N 115.410 0.039 . 465 394 131 GLY H H 8.462 0.002 . 466 394 131 GLY CA C 45.409 0.057 . 467 394 131 GLY N N 110.719 0.082 . 468 395 132 SER H H 8.212 0.004 . 469 395 132 SER CA C 58.462 0.036 . 470 395 132 SER CB C 63.928 0.001 . 471 395 132 SER N N 115.489 0.023 . 472 396 133 GLY H H 8.376 0.004 . 473 396 133 GLY CA C 45.249 0.141 . 474 396 133 GLY N N 110.474 0.084 . 475 397 134 PHE H H 8.112 0.003 . 476 397 134 PHE CA C 58.022 0.094 . 477 397 134 PHE CB C 39.518 0.011 . 478 397 134 PHE N N 120.076 0.118 . 479 398 135 ASN H H 8.416 0.003 . 480 398 135 ASN CA C 52.993 0.053 . 481 398 135 ASN CB C 38.732 0.042 . 482 398 135 ASN N N 121.468 0.016 . 483 399 136 GLY H H 7.788 0.003 . 484 399 136 GLY CA C 45.558 0.107 . 485 399 136 GLY N N 108.440 0.045 . 486 400 137 GLY H H 8.030 0.002 . 487 400 137 GLY CA C 45.091 0.066 . 488 400 137 GLY N N 108.099 0.009 . 489 401 138 PHE H H 8.114 0.001 . 490 401 138 PHE CA C 58.198 0.308 . 491 401 138 PHE CB C 39.518 0.025 . 492 401 138 PHE N N 119.950 0.058 . 493 402 139 GLY H H 8.368 0.001 . 494 402 139 GLY CA C 45.376 0.039 . 495 402 139 GLY N N 110.700 0.019 . 496 403 140 SER H H 8.174 0.002 . 497 403 140 SER CA C 58.344 0.183 . 498 403 140 SER CB C 64.041 0.065 . 499 403 140 SER N N 115.446 0.038 . 500 404 141 SER H H 8.397 0.001 . 501 404 141 SER CA C 58.650 0.079 . 502 404 141 SER CB C 63.787 0.063 . 503 404 141 SER N N 117.539 0.038 . 504 405 142 MET H H 8.351 0.002 . 505 405 142 MET CA C 55.774 0.097 . 506 405 142 MET CB C 32.661 0.075 . 507 405 142 MET N N 121.697 0.010 . 508 406 143 ASP H H 8.199 0.001 . 509 406 143 ASP CA C 54.293 0.084 . 510 406 143 ASP CB C 41.204 0.031 . 511 406 143 ASP N N 120.949 0.008 . 512 407 144 SER H H 8.209 0.002 . 513 407 144 SER CA C 58.968 0.078 . 514 407 144 SER CB C 63.617 0.061 . 515 407 144 SER N N 116.557 0.034 . 516 408 145 LYS H H 8.277 0.002 . 517 408 145 LYS CA C 56.535 0.087 . 518 408 145 LYS CB C 32.630 0.017 . 519 408 145 LYS N N 122.456 0.066 . 520 409 146 SER H H 8.169 0.002 . 521 409 146 SER CA C 58.564 0.112 . 522 409 146 SER CB C 63.818 0.031 . 523 409 146 SER N N 116.041 0.035 . 524 410 147 SER H H 8.253 0.001 . 525 410 147 SER CA C 58.793 0.126 . 526 410 147 SER CB C 63.781 0.005 . 527 410 147 SER N N 117.417 0.008 . 528 411 148 GLY H H 8.268 0.002 . 529 411 148 GLY CA C 45.368 0.052 . 530 411 148 GLY N N 110.218 0.033 . 531 412 149 TRP H H 8.000 0.001 . 532 412 149 TRP CA C 57.627 0.035 . 533 412 149 TRP CB C 29.559 0.014 . 534 412 149 TRP N N 120.848 0.008 . 535 413 150 GLY H H 8.225 0.004 . 536 413 150 GLY CA C 45.514 0.030 . 537 413 150 GLY N N 111.398 0.035 . 538 414 151 MET H H 7.636 0.002 . 539 414 151 MET CA C 56.922 0.000 . 540 414 151 MET CB C 33.742 0.000 . 541 414 151 MET N N 124.544 0.012 . stop_ save_