data_27511 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone resonance assignment of a Huwe1 HECT domain C-lobe mutant ; _BMRB_accession_number 27511 _BMRB_flat_file_name bmr27511.str _Entry_type original _Submission_date 2018-06-06 _Accession_date 2018-06-06 _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 Wiesner Silke . . 2 Jaeckl Magnus . . 3 Stollmaier Carsten . . 4 Strohaeker Timo . . 5 Hyz Karolina . . 6 Maspero Elena . . 7 Polo Simona . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 118 "13C chemical shifts" 235 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-12-07 update BMRB 'update entry citation' 2018-07-12 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27508 C-lobe 27512 C-lobe stop_ _Original_release_date 2018-06-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Beta-Sheet Augmentation Is a Conserved Mechanism of Priming HECT E3 Ligases for Ubiquitin Ligation ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29964046 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jaeckl Magnus . . 2 Stollmaier Carsten . . 3 Strohaeker Timo . . 4 Hyz Karolina . . 5 Maspero Elena . . 6 Polo Simona . . 7 Wiesner Silke . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 430 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 3218 _Page_last 3233 _Year 2018 _Details . loop_ _Keyword 'HECT domain' Huwe1 thioester 'ubiquitin ligation' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name clobe _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label clobe $clobe stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'ubiquitin ligation' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_clobe _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common clobe _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'ubiquitin ligation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; GAMGLPTIDIDDLKSNTEYH KYQSNSIQIQWFWRALRSFD QADRAKFLQFVTGTSKVPLQ GFAALEGMNGIQKFQIHRDD RSTDRLPSAHTCFNQLDLPA YESFEKLRHMLLLAIQENSE GFGLA ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 261 GLY 2 262 ALA 3 263 MET 4 264 GLY 5 265 LEU 6 266 PRO 7 267 THR 8 268 ILE 9 269 ASP 10 270 ILE 11 271 ASP 12 272 ASP 13 273 LEU 14 274 LYS 15 275 SER 16 276 ASN 17 277 THR 18 278 GLU 19 279 TYR 20 280 HIS 21 281 LYS 22 282 TYR 23 283 GLN 24 284 SER 25 285 ASN 26 286 SER 27 287 ILE 28 288 GLN 29 289 ILE 30 290 GLN 31 291 TRP 32 292 PHE 33 293 TRP 34 294 ARG 35 295 ALA 36 296 LEU 37 297 ARG 38 298 SER 39 299 PHE 40 300 ASP 41 301 GLN 42 302 ALA 43 303 ASP 44 304 ARG 45 305 ALA 46 306 LYS 47 307 PHE 48 308 LEU 49 309 GLN 50 310 PHE 51 311 VAL 52 312 THR 53 313 GLY 54 314 THR 55 315 SER 56 316 LYS 57 317 VAL 58 318 PRO 59 319 LEU 60 320 GLN 61 321 GLY 62 322 PHE 63 323 ALA 64 324 ALA 65 325 LEU 66 326 GLU 67 327 GLY 68 328 MET 69 329 ASN 70 330 GLY 71 331 ILE 72 332 GLN 73 333 LYS 74 334 PHE 75 335 GLN 76 336 ILE 77 337 HIS 78 338 ARG 79 339 ASP 80 340 ASP 81 341 ARG 82 342 SER 83 343 THR 84 344 ASP 85 345 ARG 86 346 LEU 87 347 PRO 88 348 SER 89 349 ALA 90 350 HIS 91 351 THR 92 352 CYS 93 353 PHE 94 354 ASN 95 355 GLN 96 356 LEU 97 357 ASP 98 358 LEU 99 359 PRO 100 360 ALA 101 361 TYR 102 362 GLU 103 363 SER 104 364 PHE 105 365 GLU 106 366 LYS 107 367 LEU 108 368 ARG 109 369 HIS 110 370 MET 111 371 LEU 112 372 LEU 113 373 LEU 114 374 ALA 115 375 ILE 116 376 GLN 117 377 GLU 118 378 ASN 119 379 SER 120 380 GLU 121 381 GLY 122 382 PHE 123 383 GLY 124 384 LEU 125 385 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 NCBI NP_113584.3 . . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $clobe 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 $clobe 'recombinant technology' . Escherichia coli . pET-M11 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 $clobe 1 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' DTT 1 mM 'natural abundance' D2O 10 '% w/v' '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . 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 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _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 6.4 . 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 na indirect . . . 1 water H 1 protons ppm 4.7 internal indirect . . . 1 water N 15 protons ppm 4.7 na indirect . . . 1 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 HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' 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 clobe _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 1 264 4 GLY H H 8.510 0.000 . 2 264 4 GLY CA C 45.042 0.000 . 3 264 4 GLY N N 119.680 0.000 . 4 265 5 LEU H H 8.178 0.000 . 5 265 5 LEU CA C 55.908 0.000 . 6 265 5 LEU N N 110.234 0.000 . 7 266 6 PRO CA C 63.391 0.000 . 8 266 6 PRO CB C 32.805 0.000 . 9 267 7 THR H H 8.257 0.000 . 10 267 7 THR CA C 62.304 0.000 . 11 267 7 THR CB C 70.606 0.000 . 12 267 7 THR N N 115.728 0.000 . 13 268 8 ILE H H 8.720 0.000 . 14 268 8 ILE CA C 61.847 0.000 . 15 268 8 ILE CB C 39.208 0.000 . 16 268 8 ILE N N 124.860 0.000 . 17 269 9 ASP H H 9.474 0.000 . 18 269 9 ASP CA C 53.844 0.000 . 19 269 9 ASP CB C 41.781 0.000 . 20 269 9 ASP N N 129.938 0.000 . 21 270 10 ILE H H 8.314 0.000 . 22 270 10 ILE CA C 62.784 0.000 . 23 270 10 ILE CB C 37.015 0.000 . 24 270 10 ILE N N 124.352 0.000 . 25 271 11 ASP H H 8.112 0.000 . 26 271 11 ASP CA C 58.764 0.000 . 27 271 11 ASP CB C 40.638 0.000 . 28 271 11 ASP N N 120.927 0.000 . 29 272 12 ASP H H 7.853 0.000 . 30 272 12 ASP CA C 57.525 0.000 . 31 272 12 ASP CB C 42.753 0.000 . 32 272 12 ASP N N 122.117 0.000 . 33 273 13 LEU H H 7.737 0.000 . 34 273 13 LEU CA C 58.989 0.000 . 35 273 13 LEU CB C 41.559 0.000 . 36 273 13 LEU N N 121.000 0.000 . 37 274 14 LYS H H 8.573 0.000 . 38 274 14 LYS CA C 60.437 0.000 . 39 274 14 LYS CB C 32.442 0.000 . 40 274 14 LYS N N 122.320 0.000 . 41 275 15 SER H H 7.863 0.000 . 42 275 15 SER CA C 61.218 0.000 . 43 275 15 SER CB C 64.134 0.000 . 44 275 15 SER N N 114.138 0.000 . 45 276 16 ASN H H 7.786 0.000 . 46 276 16 ASN CA C 54.301 0.000 . 47 276 16 ASN CB C 41.381 0.000 . 48 276 16 ASN N N 119.773 0.000 . 49 277 17 THR H H 6.924 0.000 . 50 277 17 THR CA C 63.791 0.000 . 51 277 17 THR CB C 72.080 0.000 . 52 277 17 THR N N 114.906 0.000 . 53 278 18 GLU H H 8.989 0.000 . 54 278 18 GLU CA C 54.587 0.000 . 55 278 18 GLU CB C 33.263 0.000 . 56 278 18 GLU N N 125.774 0.000 . 57 279 19 TYR H H 8.335 0.000 . 58 279 19 TYR CA C 57.388 0.000 . 59 279 19 TYR CB C 42.801 0.000 . 60 279 19 TYR N N 118.562 0.000 . 61 280 20 HIS H H 8.928 0.000 . 62 280 20 HIS CA C 56.302 0.000 . 63 280 20 HIS CB C 31.433 0.000 . 64 280 20 HIS N N 121.508 0.000 . 65 281 21 LYS H H 9.024 0.000 . 66 281 21 LYS CA C 61.047 0.000 . 67 281 21 LYS CB C 31.242 0.000 . 68 281 21 LYS N N 120.594 0.000 . 69 282 22 TYR H H 7.649 0.000 . 70 282 22 TYR CA C 58.131 0.000 . 71 282 22 TYR CB C 43.553 0.000 . 72 282 22 TYR N N 116.576 0.000 . 73 283 23 GLN H H 8.640 0.000 . 74 283 23 GLN CA C 54.472 0.000 . 75 283 23 GLN CB C 31.776 0.000 . 76 283 23 GLN N N 115.820 0.000 . 77 284 24 SER H H 8.872 0.000 . 78 284 24 SER CA C 61.161 0.000 . 79 284 24 SER CB C 63.048 0.000 . 80 284 24 SER N N 115.921 0.000 . 81 285 25 ASN H H 7.491 0.000 . 82 285 25 ASN CA C 52.014 0.000 . 83 285 25 ASN CB C 38.579 0.000 . 84 285 25 ASN N N 112.976 0.000 . 85 286 26 SER H H 7.833 0.000 . 86 286 26 SER CA C 61.218 0.000 . 87 286 26 SER CB C 64.305 0.000 . 88 286 26 SER N N 120.187 0.000 . 89 287 27 ILE H H 9.114 0.000 . 90 287 27 ILE CA C 64.151 0.000 . 91 287 27 ILE CB C 37.836 0.000 . 92 287 27 ILE N N 128.313 0.000 . 93 288 28 GLN H H 7.416 0.000 . 94 288 28 GLN CA C 61.724 0.000 . 95 288 28 GLN CB C 27.139 0.000 . 96 288 28 GLN N N 116.023 0.000 . 97 289 29 ILE H H 6.611 0.000 . 98 289 29 ILE CA C 60.509 0.000 . 99 289 29 ILE CB C 34.694 0.000 . 100 289 29 ILE N N 116.632 0.000 . 101 290 30 GLN H H 7.594 0.000 . 102 290 30 GLN CA C 60.158 0.000 . 103 290 30 GLN CB C 28.783 0.000 . 104 290 30 GLN N N 119.826 0.000 . 105 291 31 TRP H H 8.587 0.000 . 106 291 31 TRP CA C 57.842 0.000 . 107 291 31 TRP CB C 31.491 0.000 . 108 291 31 TRP N N 119.273 0.000 . 109 292 32 PHE H H 8.691 0.000 . 110 292 32 PHE CA C 63.083 0.000 . 111 292 32 PHE CB C 39.094 0.000 . 112 292 32 PHE N N 122.727 0.000 . 113 293 33 TRP H H 8.171 0.000 . 114 293 33 TRP CA C 60.492 0.000 . 115 293 33 TRP CB C 29.661 0.000 . 116 293 33 TRP N N 118.664 0.000 . 117 294 34 ARG H H 7.811 0.000 . 118 294 34 ARG CA C 60.208 0.000 . 119 294 34 ARG CB C 31.048 0.000 . 120 294 34 ARG N N 119.527 0.000 . 121 295 35 ALA H H 9.003 0.000 . 122 295 35 ALA CA C 55.101 0.000 . 123 295 35 ALA CB C 17.141 0.000 . 124 295 35 ALA N N 122.625 0.000 . 125 296 36 LEU H H 7.990 0.000 . 126 296 36 LEU CA C 58.074 0.000 . 127 296 36 LEU CB C 41.495 0.000 . 128 296 36 LEU N N 119.273 0.000 . 129 297 37 ARG H H 8.014 0.000 . 130 297 37 ARG CA C 59.600 0.000 . 131 297 37 ARG CB C 30.519 0.000 . 132 297 37 ARG N N 115.414 0.000 . 133 298 38 SER H H 7.538 0.000 . 134 298 38 SER CA C 60.246 0.000 . 135 298 38 SER CB C 64.706 0.000 . 136 298 38 SER N N 113.992 0.000 . 137 299 39 PHE H H 7.424 0.000 . 138 299 39 PHE CA C 54.129 0.000 . 139 299 39 PHE CB C 38.579 0.000 . 140 299 39 PHE N N 124.656 0.000 . 141 300 40 ASP H H 9.347 0.000 . 142 300 40 ASP CA C 53.519 0.000 . 143 300 40 ASP CB C 41.438 0.000 . 144 300 40 ASP N N 122.828 0.000 . 145 301 41 GLN H H 8.677 0.000 . 146 301 41 GLN CA C 60.304 0.000 . 147 301 41 GLN CB C 28.060 0.000 . 148 301 41 GLN N N 118.054 0.000 . 149 302 42 ALA H H 8.323 0.000 . 150 302 42 ALA CA C 55.902 0.000 . 151 302 42 ALA CB C 18.399 0.000 . 152 302 42 ALA N N 121.857 0.000 . 153 303 43 ASP H H 8.219 0.000 . 154 303 43 ASP CA C 58.074 0.000 . 155 303 43 ASP CB C 39.952 0.000 . 156 303 43 ASP N N 119.883 0.000 . 157 304 44 ARG H H 8.807 0.000 . 158 304 44 ARG CA C 61.561 0.000 . 159 304 44 ARG CB C 30.933 0.000 . 160 304 44 ARG N N 120.797 0.000 . 161 305 45 ALA H H 8.166 0.000 . 162 305 45 ALA CA C 56.187 0.000 . 163 305 45 ALA CB C 18.285 0.000 . 164 305 45 ALA N N 121.508 0.000 . 165 306 46 LYS H H 8.065 0.000 . 166 306 46 LYS CA C 60.267 0.000 . 167 306 46 LYS CB C 33.303 0.000 . 168 306 46 LYS N N 119.324 0.000 . 169 307 47 PHE H H 8.700 0.000 . 170 307 47 PHE CA C 62.640 0.000 . 171 307 47 PHE CB C 38.651 0.000 . 172 307 47 PHE N N 121.857 0.000 . 173 308 48 LEU H H 8.276 0.000 . 174 308 48 LEU CA C 58.335 0.000 . 175 308 48 LEU CB C 42.191 0.000 . 176 308 48 LEU N N 121.045 0.000 . 177 309 49 GLN H H 8.235 0.000 . 178 309 49 GLN CA C 59.491 0.000 . 179 309 49 GLN CB C 28.631 0.000 . 180 309 49 GLN N N 122.117 0.000 . 181 310 50 PHE H H 8.053 0.000 . 182 310 50 PHE CA C 60.082 0.000 . 183 310 50 PHE CB C 39.715 0.000 . 184 310 50 PHE N N 122.670 0.000 . 185 311 51 VAL H H 7.283 0.000 . 186 311 51 VAL CA C 64.134 0.000 . 187 311 51 VAL CB C 33.264 0.000 . 188 311 51 VAL N N 107.390 0.000 . 189 312 52 THR H H 8.011 0.000 . 190 312 52 THR CA C 62.076 0.000 . 191 312 52 THR CB C 72.766 0.000 . 192 312 52 THR N N 130.903 0.000 . 193 313 53 GLY H H 8.046 0.000 . 194 313 53 GLY CA C 45.726 0.000 . 195 313 53 GLY N N 111.452 0.000 . 196 314 54 THR H H 8.062 0.000 . 197 314 54 THR CA C 60.303 0.000 . 198 314 54 THR CB C 70.244 0.000 . 199 314 54 THR N N 114.804 0.000 . 200 315 55 SER H H 8.146 0.000 . 201 315 55 SER CA C 58.303 0.000 . 202 315 55 SER CB C 64.534 0.000 . 203 315 55 SER N N 116.531 0.000 . 204 316 56 LYS H H 7.815 0.000 . 205 316 56 LYS CA C 56.588 0.000 . 206 316 56 LYS CB C 33.777 0.000 . 207 316 56 LYS N N 122.168 0.000 . 208 317 57 VAL H H 8.130 0.000 . 209 317 57 VAL CA C 60.024 0.000 . 210 317 57 VAL CB C 34.048 0.000 . 211 317 57 VAL N N 125.266 0.000 . 212 318 58 PRO CA C 63.214 0.000 . 213 318 58 PRO CB C 32.092 0.000 . 214 319 59 LEU H H 8.585 0.000 . 215 319 59 LEU CA C 58.360 0.000 . 216 319 59 LEU CB C 42.430 0.000 . 217 319 59 LEU N N 126.078 0.000 . 218 320 60 GLN H H 8.305 0.000 . 219 320 60 GLN CA C 56.359 0.000 . 220 320 60 GLN CB C 28.689 0.000 . 221 320 60 GLN N N 114.093 0.000 . 222 321 61 GLY H H 7.610 0.000 . 223 321 61 GLY CA C 44.582 0.000 . 224 321 61 GLY N N 107.187 0.000 . 225 322 62 PHE H H 9.324 0.000 . 226 322 62 PHE CA C 63.677 0.000 . 227 322 62 PHE CB C 38.555 0.000 . 228 322 62 PHE N N 117.293 0.000 . 229 323 63 ALA H H 9.151 0.000 . 230 323 63 ALA CA C 55.101 0.000 . 231 323 63 ALA CB C 19.024 0.000 . 232 323 63 ALA N N 124.453 0.000 . 233 324 64 ALA H H 7.728 0.000 . 234 324 64 ALA CA C 50.471 0.000 . 235 324 64 ALA CB C 19.885 0.000 . 236 324 64 ALA N N 118.359 0.000 . 237 325 65 LEU H H 6.761 0.000 . 238 325 65 LEU CA C 56.645 0.000 . 239 325 65 LEU CB C 43.896 0.000 . 240 325 65 LEU N N 121.101 0.000 . 241 326 66 GLU H H 8.620 0.000 . 242 326 66 GLU CA C 57.216 0.000 . 243 326 66 GLU CB C 32.520 0.000 . 244 326 66 GLU N N 123.742 0.000 . 245 327 67 GLY H H 8.559 0.000 . 246 327 67 GLY CA C 44.525 0.000 . 247 327 67 GLY N N 111.859 0.000 . 248 328 68 MET H H 8.683 0.000 . 249 328 68 MET CA C 58.474 0.000 . 250 328 68 MET CB C 33.549 0.000 . 251 328 68 MET N N 121.305 0.000 . 252 329 69 ASN H H 8.825 0.000 . 253 329 69 ASN CA C 53.100 0.000 . 254 329 69 ASN CB C 39.723 0.000 . 255 329 69 ASN N N 116.531 0.000 . 256 330 70 GLY H H 7.806 0.000 . 257 330 70 GLY CA C 44.848 0.000 . 258 330 70 GLY N N 109.218 0.000 . 259 331 71 ILE H H 8.425 0.000 . 260 331 71 ILE CA C 62.648 0.000 . 261 331 71 ILE CB C 38.294 0.000 . 262 331 71 ILE N N 123.234 0.000 . 263 332 72 GLN H H 8.964 0.000 . 264 332 72 GLN CA C 55.330 0.000 . 265 332 72 GLN CB C 31.188 0.000 . 266 332 72 GLN N N 129.329 0.000 . 267 333 73 LYS H H 8.534 0.000 . 268 333 73 LYS CA C 58.474 0.000 . 269 333 73 LYS CB C 33.148 0.000 . 270 333 73 LYS N N 127.196 0.000 . 271 334 74 PHE H H 8.809 0.000 . 272 334 74 PHE CA C 56.986 0.000 . 273 334 74 PHE CB C 40.009 0.000 . 274 334 74 PHE N N 121.711 0.000 . 275 335 75 GLN H H 8.236 0.000 . 276 335 75 GLN CA C 52.283 0.000 . 277 335 75 GLN CB C 33.148 0.000 . 278 335 75 GLN N N 122.596 0.000 . 279 336 76 ILE H H 8.237 0.000 . 280 336 76 ILE CA C 60.761 0.000 . 281 336 76 ILE CB C 40.752 0.000 . 282 336 76 ILE N N 120.543 0.000 . 283 337 77 HIS H H 9.713 0.000 . 284 337 77 HIS CA C 54.072 0.000 . 285 337 77 HIS CB C 34.177 0.000 . 286 337 77 HIS N N 127.805 0.000 . 287 338 78 ARG H H 7.166 0.000 . 288 338 78 ARG CA C 57.926 0.000 . 289 338 78 ARG CB C 31.662 0.000 . 290 338 78 ARG N N 122.016 0.000 . 291 339 79 ASP H H 6.985 0.000 . 292 339 79 ASP CA C 52.414 0.000 . 293 339 79 ASP CB C 42.846 0.000 . 294 339 79 ASP N N 129.125 0.000 . 295 340 80 ASP H H 8.662 0.000 . 296 340 80 ASP CA C 55.616 0.000 . 297 340 80 ASP CB C 41.729 0.000 . 298 340 80 ASP N N 125.571 0.000 . 299 341 81 ARG H H 8.036 0.000 . 300 341 81 ARG CA C 58.154 0.000 . 301 341 81 ARG CB C 31.261 0.000 . 302 341 81 ARG N N 120.137 0.000 . 303 342 82 SER H H 7.593 0.000 . 304 342 82 SER CA C 58.874 0.000 . 305 342 82 SER CB C 64.363 0.000 . 306 342 82 SER N N 109.827 0.000 . 307 343 83 THR H H 8.365 0.000 . 308 343 83 THR CA C 63.048 0.000 . 309 343 83 THR CB C 68.364 0.000 . 310 343 83 THR N N 111.046 0.000 . 311 344 84 ASP H H 8.438 0.000 . 312 344 84 ASP CA C 54.015 0.000 . 313 344 84 ASP CB C 40.981 0.000 . 314 344 84 ASP N N 119.781 0.000 . 315 345 85 ARG H H 7.238 0.000 . 316 345 85 ARG CA C 54.788 0.000 . 317 345 85 ARG CB C 32.291 0.000 . 318 345 85 ARG N N 117.140 0.000 . 319 346 86 LEU H H 8.564 0.000 . 320 346 86 LEU CA C 55.108 0.000 . 321 346 86 LEU CB C 42.111 0.000 . 322 346 86 LEU N N 122.117 0.000 . 323 347 87 PRO CA C 63.883 0.000 . 324 347 87 PRO CB C 33.377 0.000 . 325 348 88 SER H H 8.437 0.000 . 326 348 88 SER CA C 57.793 0.000 . 327 348 88 SER CB C 66.306 0.000 . 328 348 88 SER N N 114.499 0.000 . 329 349 89 ALA H H 8.421 0.000 . 330 349 89 ALA CA C 50.699 0.000 . 331 349 89 ALA CB C 23.887 0.000 . 332 349 89 ALA N N 123.336 0.000 . 333 350 90 HIS H H 8.795 0.000 . 334 350 90 HIS CA C 54.446 0.000 . 335 350 90 HIS CB C 30.347 0.000 . 336 350 90 HIS N N 119.883 0.000 . 337 351 91 THR H H 8.802 0.000 . 338 351 91 THR CA C 65.277 0.000 . 339 351 91 THR CB C 69.037 0.000 . 340 351 91 THR N N 118.359 0.000 . 341 352 92 CYS H H 8.245 0.000 . 342 352 92 CYS CA C 60.589 0.000 . 343 352 92 CYS CB C 27.374 0.000 . 344 352 92 CYS N N 118.258 0.000 . 345 353 93 PHE H H 7.149 0.000 . 346 353 93 PHE CA C 55.673 0.000 . 347 353 93 PHE CB C 41.095 0.000 . 348 353 93 PHE N N 116.531 0.000 . 349 354 94 ASN H H 7.828 0.000 . 350 354 94 ASN CA C 55.048 0.000 . 351 354 94 ASN CB C 38.065 0.000 . 352 354 94 ASN N N 117.750 0.000 . 353 355 95 GLN H H 7.194 0.000 . 354 355 95 GLN CA C 54.358 0.000 . 355 355 95 GLN CB C 33.834 0.000 . 356 355 95 GLN N N 115.007 0.000 . 357 356 96 LEU H H 8.946 0.000 . 358 356 96 LEU CA C 53.542 0.000 . 359 356 96 LEU CB C 47.040 0.000 . 360 356 96 LEU N N 127.602 0.000 . 361 357 97 ASP H H 9.543 0.000 . 362 357 97 ASP CA C 54.178 0.000 . 363 357 97 ASP CB C 40.695 0.000 . 364 357 97 ASP N N 129.633 0.000 . 365 358 98 LEU H H 9.033 0.000 . 366 358 98 LEU CA C 51.500 0.000 . 367 358 98 LEU CB C 47.040 0.000 . 368 358 98 LEU N N 124.961 0.000 . 369 359 99 PRO CA C 63.013 0.000 . 370 359 99 PRO CB C 32.842 0.000 . 371 360 100 ALA H H 8.161 0.000 . 372 360 100 ALA CA C 50.699 0.000 . 373 360 100 ALA CB C 16.570 0.000 . 374 360 100 ALA N N 123.641 0.000 . 375 361 101 TYR H H 7.916 0.000 . 376 361 101 TYR CA C 60.132 0.000 . 377 361 101 TYR CB C 41.495 0.000 . 378 361 101 TYR N N 119.070 0.000 . 379 362 102 GLU H H 10.475 0.000 . 380 362 102 GLU CA C 60.189 0.000 . 381 362 102 GLU CB C 30.404 0.000 . 382 362 102 GLU N N 116.328 0.000 . 383 363 103 SER H H 7.372 0.000 . 384 363 103 SER CA C 57.223 0.000 . 385 363 103 SER CB C 67.022 0.000 . 386 363 103 SER N N 110.538 0.000 . 387 364 104 PHE H H 7.556 0.000 . 388 364 104 PHE CA C 61.618 0.000 . 389 364 104 PHE CB C 38.351 0.000 . 390 364 104 PHE N N 121.812 0.000 . 391 365 105 GLU H H 8.685 0.000 . 392 365 105 GLU CA C 60.674 0.000 . 393 365 105 GLU CB C 28.804 0.000 . 394 365 105 GLU N N 117.242 0.000 . 395 366 106 LYS H H 7.690 0.000 . 396 366 106 LYS CA C 59.789 0.000 . 397 366 106 LYS CB C 34.120 0.000 . 398 366 106 LYS N N 120.289 0.000 . 399 367 107 LEU H H 7.576 0.000 . 400 367 107 LEU CA C 60.779 0.000 . 401 367 107 LEU CB C 42.417 0.000 . 402 367 107 LEU N N 119.578 0.000 . 403 368 108 ARG H H 8.568 0.000 . 404 368 108 ARG CA C 60.761 0.000 . 405 368 108 ARG CB C 30.004 0.000 . 406 368 108 ARG N N 118.461 0.000 . 407 369 109 HIS H H 7.646 0.000 . 408 369 109 HIS CA C 59.846 0.000 . 409 369 109 HIS CB C 31.262 0.000 . 410 369 109 HIS N N 116.366 0.000 . 411 370 110 MET H H 8.362 0.000 . 412 370 110 MET CA C 57.960 0.000 . 413 370 110 MET CB C 33.034 0.000 . 414 370 110 MET N N 115.921 0.000 . 415 371 111 LEU H H 8.394 0.000 . 416 371 111 LEU CA C 59.015 0.000 . 417 371 111 LEU CB C 43.270 0.000 . 418 371 111 LEU N N 118.664 0.000 . 419 372 112 LEU H H 7.994 0.000 . 420 372 112 LEU CA C 58.550 0.000 . 421 372 112 LEU CB C 42.238 0.000 . 422 372 112 LEU N N 118.129 0.000 . 423 373 113 LEU H H 8.044 0.000 . 424 373 113 LEU CA C 58.006 0.000 . 425 373 113 LEU CB C 42.653 0.000 . 426 373 113 LEU N N 118.504 0.000 . 427 374 114 ALA H H 7.849 0.000 . 428 374 114 ALA CA C 55.362 0.000 . 429 374 114 ALA CB C 19.256 0.000 . 430 374 114 ALA N N 119.997 0.000 . 431 375 115 ILE H H 7.482 0.000 . 432 375 115 ILE CA C 63.845 0.000 . 433 375 115 ILE CB C 38.184 0.000 . 434 375 115 ILE N N 109.523 0.000 . 435 376 116 GLN H H 7.601 0.000 . 436 376 116 GLN CA C 57.526 0.000 . 437 376 116 GLN CB C 28.860 0.000 . 438 376 116 GLN N N 119.527 0.000 . 439 377 117 GLU H H 8.140 0.000 . 440 377 117 GLU CA C 58.374 0.000 . 441 377 117 GLU CB C 30.170 0.000 . 442 377 117 GLU N N 120.232 0.000 . 443 378 118 ASN H H 8.123 0.000 . 444 378 118 ASN CA C 54.714 0.000 . 445 378 118 ASN CB C 39.918 0.000 . 446 378 118 ASN N N 118.201 0.000 . 447 379 119 SER H H 8.163 0.000 . 448 379 119 SER CA C 59.753 0.000 . 449 379 119 SER CB C 64.346 0.000 . 450 379 119 SER N N 115.763 0.000 . 451 380 120 GLU H H 8.318 0.000 . 452 380 120 GLU CA C 57.866 0.000 . 453 380 120 GLU CB C 30.576 0.000 . 454 380 120 GLU N N 122.263 0.000 . 455 381 121 GLY H H 8.220 0.000 . 456 381 121 GLY CA C 46.001 0.000 . 457 381 121 GLY N N 109.218 0.000 . 458 382 122 PHE H H 8.008 0.000 . 459 382 122 PHE CA C 58.528 0.000 . 460 382 122 PHE CB C 40.033 0.000 . 461 382 122 PHE N N 120.086 0.000 . 462 383 123 GLY H H 8.343 0.000 . 463 383 123 GLY CA C 46.011 0.000 . 464 383 123 GLY N N 110.741 0.000 . 465 384 124 LEU H H 7.949 0.000 . 466 384 124 LEU CA C 55.479 0.000 . 467 384 124 LEU CB C 42.924 0.000 . 468 384 124 LEU N N 121.711 0.000 . 469 385 125 ALA H H 7.862 0.000 . 470 385 125 ALA CA C 54.297 0.000 . 471 385 125 ALA N N 130.040 0.000 . stop_ save_