data_27380 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of the 1H, 13C, and 15N resonances of ataxin-3 ; _BMRB_accession_number 27380 _BMRB_flat_file_name bmr27380.str _Entry_type original _Submission_date 2018-01-23 _Accession_date 2018-01-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Assignment of backbone 1H, 15N and 13Ca/b of ataxin-3 containing a polyglutamine tract of 13Q' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sicorello Alessandro . . 2 Kelly Geoffry P. . 3 Oregioni Alain . . 4 Novacek Jiri . . 5 Pastore Annalisa . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 316 "13C chemical shifts" 316 "15N chemical shifts" 316 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-08-16 original BMRB . stop_ _Original_release_date 2018-01-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The Structural Properties in Solution of the Intrinsically Mixed Folded Protein Ataxin-3. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 29972812 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sicorello Alessandro . . 2 Kelly Geoff . . 3 Oregioni Alain . . 4 Novacek Jiri . . 5 Sklenar Vladimir . . 6 Pastore Annalisa . . stop_ _Journal_abbreviation 'Biophys. J.' _Journal_name_full 'Biophysical journal' _Journal_volume 115 _Journal_issue 1 _Journal_ISSN 1542-0086 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 59 _Page_last 71 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ataxin-3 _Enzyme_commission_number 3.4.19.12 loop_ _Mol_system_component_name _Mol_label ataxin-3 $ataxin-3 stop_ _System_molecular_weight 41307.09 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'monomeric protein' save_ ######################## # Monomeric polymers # ######################## save_ataxin-3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ataxin-3 _Molecular_mass 41307.09 _Mol_thiol_state 'all free' loop_ _Biological_function 'Ubl conjugation pathway' transcription 'transcription regulation' stop_ _Details 'The first glycine is a residual of the Tobacco Etch virus protease cleavage site.' ############################## # Polymer residue sequence # ############################## _Residue_count 362 _Mol_residue_sequence ; GMESIFHEKQEGSLCAQHCL NNLLQGEYFSPVELSSIAHQ LDEEERMRMAEGGVTSEDYR TFLQQPSGNMDDSGFFSIQV ISNALKVWGLELILFNSPEY QRLRIDPINERSFICNYKEH WFTVRKLGKQWFNLNSLLTG PELISDTYLALFLAQLQQEG YSIFVVKGDLPDCEADQLLQ MIRVQQMHRPKLIGEELAQL KEQRVHKTDLERVLEANDGS GMLDEDEEDLQRALALSRQE IDMEDEEADLRRAIQLSMQG SSRNISQDMTQTSGTNLTSE ELRKRREAYFEKQQQKQQQQ QQQQQQGDLSGQSSHPCERP ATSSGALGSDLGDAMSEEDM LQAAVTMSLETVRNDLKTEG KK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 GLY 2 1 MET 3 2 GLU 4 3 SER 5 4 ILE 6 5 PHE 7 6 HIS 8 7 GLU 9 8 LYS 10 9 GLN 11 10 GLU 12 11 GLY 13 12 SER 14 13 LEU 15 14 CYS 16 15 ALA 17 16 GLN 18 17 HIS 19 18 CYS 20 19 LEU 21 20 ASN 22 21 ASN 23 22 LEU 24 23 LEU 25 24 GLN 26 25 GLY 27 26 GLU 28 27 TYR 29 28 PHE 30 29 SER 31 30 PRO 32 31 VAL 33 32 GLU 34 33 LEU 35 34 SER 36 35 SER 37 36 ILE 38 37 ALA 39 38 HIS 40 39 GLN 41 40 LEU 42 41 ASP 43 42 GLU 44 43 GLU 45 44 GLU 46 45 ARG 47 46 MET 48 47 ARG 49 48 MET 50 49 ALA 51 50 GLU 52 51 GLY 53 52 GLY 54 53 VAL 55 54 THR 56 55 SER 57 56 GLU 58 57 ASP 59 58 TYR 60 59 ARG 61 60 THR 62 61 PHE 63 62 LEU 64 63 GLN 65 64 GLN 66 65 PRO 67 66 SER 68 67 GLY 69 68 ASN 70 69 MET 71 70 ASP 72 71 ASP 73 72 SER 74 73 GLY 75 74 PHE 76 75 PHE 77 76 SER 78 77 ILE 79 78 GLN 80 79 VAL 81 80 ILE 82 81 SER 83 82 ASN 84 83 ALA 85 84 LEU 86 85 LYS 87 86 VAL 88 87 TRP 89 88 GLY 90 89 LEU 91 90 GLU 92 91 LEU 93 92 ILE 94 93 LEU 95 94 PHE 96 95 ASN 97 96 SER 98 97 PRO 99 98 GLU 100 99 TYR 101 100 GLN 102 101 ARG 103 102 LEU 104 103 ARG 105 104 ILE 106 105 ASP 107 106 PRO 108 107 ILE 109 108 ASN 110 109 GLU 111 110 ARG 112 111 SER 113 112 PHE 114 113 ILE 115 114 CYS 116 115 ASN 117 116 TYR 118 117 LYS 119 118 GLU 120 119 HIS 121 120 TRP 122 121 PHE 123 122 THR 124 123 VAL 125 124 ARG 126 125 LYS 127 126 LEU 128 127 GLY 129 128 LYS 130 129 GLN 131 130 TRP 132 131 PHE 133 132 ASN 134 133 LEU 135 134 ASN 136 135 SER 137 136 LEU 138 137 LEU 139 138 THR 140 139 GLY 141 140 PRO 142 141 GLU 143 142 LEU 144 143 ILE 145 144 SER 146 145 ASP 147 146 THR 148 147 TYR 149 148 LEU 150 149 ALA 151 150 LEU 152 151 PHE 153 152 LEU 154 153 ALA 155 154 GLN 156 155 LEU 157 156 GLN 158 157 GLN 159 158 GLU 160 159 GLY 161 160 TYR 162 161 SER 163 162 ILE 164 163 PHE 165 164 VAL 166 165 VAL 167 166 LYS 168 167 GLY 169 168 ASP 170 169 LEU 171 170 PRO 172 171 ASP 173 172 CYS 174 173 GLU 175 174 ALA 176 175 ASP 177 176 GLN 178 177 LEU 179 178 LEU 180 179 GLN 181 180 MET 182 181 ILE 183 182 ARG 184 183 VAL 185 184 GLN 186 185 GLN 187 186 MET 188 187 HIS 189 188 ARG 190 189 PRO 191 190 LYS 192 191 LEU 193 192 ILE 194 193 GLY 195 194 GLU 196 195 GLU 197 196 LEU 198 197 ALA 199 198 GLN 200 199 LEU 201 200 LYS 202 201 GLU 203 202 GLN 204 203 ARG 205 204 VAL 206 205 HIS 207 206 LYS 208 207 THR 209 208 ASP 210 209 LEU 211 210 GLU 212 211 ARG 213 212 VAL 214 213 LEU 215 214 GLU 216 215 ALA 217 216 ASN 218 217 ASP 219 218 GLY 220 219 SER 221 220 GLY 222 221 MET 223 222 LEU 224 223 ASP 225 224 GLU 226 225 ASP 227 226 GLU 228 227 GLU 229 228 ASP 230 229 LEU 231 230 GLN 232 231 ARG 233 232 ALA 234 233 LEU 235 234 ALA 236 235 LEU 237 236 SER 238 237 ARG 239 238 GLN 240 239 GLU 241 240 ILE 242 241 ASP 243 242 MET 244 243 GLU 245 244 ASP 246 245 GLU 247 246 GLU 248 247 ALA 249 248 ASP 250 249 LEU 251 250 ARG 252 251 ARG 253 252 ALA 254 253 ILE 255 254 GLN 256 255 LEU 257 256 SER 258 257 MET 259 258 GLN 260 259 GLY 261 260 SER 262 261 SER 263 262 ARG 264 263 ASN 265 264 ILE 266 265 SER 267 266 GLN 268 267 ASP 269 268 MET 270 269 THR 271 270 GLN 272 271 THR 273 272 SER 274 273 GLY 275 274 THR 276 275 ASN 277 276 LEU 278 277 THR 279 278 SER 280 279 GLU 281 280 GLU 282 281 LEU 283 282 ARG 284 283 LYS 285 284 ARG 286 285 ARG 287 286 GLU 288 287 ALA 289 288 TYR 290 289 PHE 291 290 GLU 292 291 LYS 293 292 GLN 294 293 GLN 295 294 GLN 296 295 LYS 297 296 GLN 298 297 GLN 299 298 GLN 300 299 GLN 301 300 GLN 302 301 GLN 303 302 GLN 304 303 GLN 305 304 GLN 306 305 GLN 307 306 GLY 308 307 ASP 309 308 LEU 310 309 SER 311 310 GLY 312 311 GLN 313 312 SER 314 313 SER 315 314 HIS 316 315 PRO 317 316 CYS 318 317 GLU 319 318 ARG 320 319 PRO 321 320 ALA 322 321 THR 323 322 SER 324 323 SER 325 324 GLY 326 325 ALA 327 326 LEU 328 327 GLY 329 328 SER 330 329 ASP 331 330 LEU 332 331 GLY 333 332 ASP 334 333 ALA 335 334 MET 336 335 SER 337 336 GLU 338 337 GLU 339 338 ASP 340 339 MET 341 340 LEU 342 341 GLN 343 342 ALA 344 343 ALA 345 344 VAL 346 345 THR 347 346 MET 348 347 SER 349 348 LEU 350 349 GLU 351 350 THR 352 351 VAL 353 352 ARG 354 353 ASN 355 354 ASP 356 355 LEU 357 356 LYS 358 357 THR 359 358 GLU 360 359 GLY 361 360 LYS 362 361 LYS 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 _Strain _Gene_mnemonic $ataxin-3 Human 9606 Eukaryota Metazoa Homo sapiens BL21 ATXN3 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $ataxin-3 'recombinant technology' . Escherichia coli BL21 pMht ; The construct expressed contains from the N- to the C-terminus: maltose binding protein, a hexa-histidine tag, Tobacco Etch virus protease and ataxin-3. ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '20 mM sodium phosphate, 2 mM TCEP, pH 6.5' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ataxin-3 0.250 mM '[U-100% 13C; U-100% 15N]' 'sodium phosphate' 20 mM 'natural abundance' TCEP 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCPNMR _Saveframe_category software _Name CCPNMR _Version 2.4.2 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details 'Software used for assignment' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' processing 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_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_5D_HNCaCONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '5D HNCaCONH' _Sample_label $sample_1 save_ save_5D_HabCabCONH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '5D HabCabCONH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample _Saveframe_category sample_conditions _Details '20 mM sodium phosphate, 2 mM TCEP' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 6.5 . pH pressure 1 . atm temperature 298.2 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details 'H, N, Ca, Cb' 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 0.0 internal indirect . . . 0.251459844 water H 1 protons ppm 4.775 internal direct . . . 1 water N 15 protons ppm 0.0 internal indirect . . . 0.101341406 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_ _Software_label $CCPNMR stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '5D HNCaCONH' '5D HabCabCONH' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ataxin-3 _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 3 4 SER H H 7.918 0.000 1 2 3 4 SER N N 113.364 0.000 1 3 4 5 ILE H H 7.416 0.000 1 4 4 5 ILE N N 122.113 0.000 1 5 5 6 PHE H H 8.816 0.000 1 6 5 6 PHE N N 132.304 0.000 1 7 6 7 HIS H H 8.059 0.000 1 8 6 7 HIS N N 128.621 0.000 1 9 7 8 GLU H H 9.749 0.000 1 10 7 8 GLU N N 129.818 0.000 1 11 8 9 LYS H H 7.747 0.000 1 12 8 9 LYS N N 121.388 0.000 1 13 9 10 GLN H H 7.710 0.000 1 14 9 10 GLN N N 118.281 0.000 1 15 10 11 GLU H H 8.939 0.000 1 16 10 11 GLU N N 124.600 0.000 1 17 11 12 GLY H H 8.511 0.000 1 18 11 12 GLY N N 112.052 0.000 1 19 13 14 LEU H H 8.102 0.000 1 20 13 14 LEU N N 123.193 0.000 1 21 14 15 CYS H H 9.249 0.000 1 22 14 15 CYS N N 118.998 0.000 1 23 15 16 ALA H H 8.865 0.000 1 24 15 16 ALA N N 126.501 0.000 1 25 16 17 GLN H H 8.916 0.000 1 26 16 17 GLN N N 115.939 0.000 1 27 17 18 HIS H H 6.937 0.000 1 28 17 18 HIS N N 118.511 0.000 1 29 18 19 CYS H H 8.297 0.000 1 30 18 19 CYS N N 119.625 0.000 1 31 19 20 LEU H H 7.404 0.000 1 32 19 20 LEU N N 118.238 0.000 1 33 21 22 ASN H H 9.065 0.000 1 34 21 22 ASN N N 119.994 0.000 1 35 23 24 LEU H H 7.897 0.000 1 36 23 24 LEU N N 115.144 0.000 1 37 24 25 GLN H H 8.433 0.000 1 38 24 25 GLN N N 116.513 0.000 1 39 25 26 GLY H H 7.596 0.000 1 40 25 26 GLY N N 106.170 0.000 1 41 26 27 GLU H H 7.782 0.000 1 42 26 27 GLU N N 118.992 0.000 1 43 27 28 TYR H H 7.645 0.000 1 44 27 28 TYR N N 124.229 0.000 1 45 28 29 PHE H H 10.212 0.000 1 46 28 29 PHE N N 118.937 0.000 1 47 29 30 SER H H 8.487 0.000 1 48 29 30 SER N N 119.665 0.000 1 49 31 32 VAL H H 7.703 0.000 1 50 31 32 VAL N N 117.295 0.000 1 51 32 33 GLU H H 7.940 0.000 1 52 32 33 GLU N N 121.037 0.000 1 53 33 34 LEU H H 7.297 0.000 1 54 33 34 LEU N N 116.822 0.000 1 55 34 35 SER H H 8.373 0.000 1 56 34 35 SER N N 114.929 0.000 1 57 35 36 SER H H 8.021 0.000 1 58 35 36 SER N N 118.068 0.000 1 59 36 37 ILE H H 7.729 0.000 1 60 36 37 ILE N N 122.808 0.000 1 61 37 38 ALA H H 8.268 0.000 1 62 37 38 ALA N N 121.410 0.000 1 63 38 39 HIS H H 8.593 0.000 1 64 38 39 HIS N N 114.955 0.000 1 65 39 40 GLN H H 8.132 0.000 1 66 39 40 GLN N N 120.857 0.000 1 67 40 41 LEU H H 8.196 0.000 1 68 40 41 LEU N N 120.632 0.000 1 69 41 42 ASP H H 8.462 0.000 1 70 41 42 ASP N N 121.331 0.000 1 71 42 43 GLU H H 8.192 0.000 1 72 42 43 GLU N N 121.293 0.000 1 73 43 44 GLU H H 8.226 0.000 1 74 43 44 GLU N N 120.186 0.000 1 75 44 45 GLU H H 8.091 0.000 1 76 44 45 GLU N N 120.254 0.000 1 77 46 47 MET H H 8.218 0.000 1 78 46 47 MET N N 117.907 0.000 1 79 47 48 ARG H H 7.885 0.000 1 80 47 48 ARG N N 119.977 0.000 1 81 48 49 MET H H 8.065 0.000 1 82 48 49 MET N N 118.488 0.000 1 83 49 50 ALA H H 8.022 0.000 1 84 49 50 ALA N N 122.435 0.000 1 85 50 51 GLU H H 7.885 0.000 1 86 50 51 GLU N N 119.017 0.000 1 87 51 52 GLY H H 8.032 0.000 1 88 51 52 GLY N N 107.379 0.000 1 89 52 53 GLY H H 8.017 0.000 1 90 52 53 GLY CA C 45.172 0.000 1 91 52 53 GLY N N 108.717 0.000 1 92 53 54 VAL H H 8.049 0.000 1 93 53 54 VAL CA C 62.350 0.000 1 94 53 54 VAL CB C 32.367 0.000 1 95 53 54 VAL N N 118.729 0.009 1 96 54 55 THR H H 8.273 0.000 1 97 54 55 THR N N 115.030 0.000 1 98 55 56 SER H H 8.228 0.000 1 99 55 56 SER N N 117.910 0.000 1 100 56 57 GLU H H 8.707 0.000 1 101 56 57 GLU N N 122.905 0.000 1 102 57 58 ASP H H 8.246 0.000 1 103 57 58 ASP N N 119.771 0.000 1 104 58 59 TYR H H 8.077 0.000 1 105 58 59 TYR N N 121.585 0.000 1 106 59 60 ARG H H 8.016 0.000 1 107 59 60 ARG N N 119.582 0.000 1 108 60 61 THR H H 8.074 0.000 1 109 60 61 THR N N 114.045 0.000 1 110 61 62 PHE H H 7.944 0.000 1 111 61 62 PHE N N 122.586 0.000 1 112 62 63 LEU H H 7.941 0.002 1 113 62 63 LEU CA C 55.760 0.000 1 114 62 63 LEU CB C 42.269 0.000 1 115 62 63 LEU N N 120.371 0.021 1 116 63 64 GLN H H 7.780 0.000 1 117 63 64 GLN N N 117.692 0.000 1 118 64 65 GLN H H 7.909 0.000 1 119 64 65 GLN N N 121.088 0.000 1 120 66 67 SER H H 8.411 0.000 1 121 66 67 SER N N 115.419 0.000 1 122 67 68 GLY H H 8.708 0.000 1 123 67 68 GLY N N 112.314 0.000 1 124 68 69 ASN H H 9.014 0.000 1 125 68 69 ASN N N 118.481 0.000 1 126 69 70 MET H H 8.060 0.000 1 127 69 70 MET N N 117.237 0.000 1 128 70 71 ASP H H 7.980 0.000 1 129 70 71 ASP N N 119.627 0.000 1 130 71 72 ASP H H 8.311 0.000 1 131 71 72 ASP N N 118.143 0.000 1 132 72 73 SER H H 8.631 0.000 1 133 72 73 SER N N 116.298 0.000 1 134 73 74 GLY H H 7.915 0.000 1 135 73 74 GLY N N 108.542 0.000 1 136 74 75 PHE H H 7.924 0.000 1 137 74 75 PHE N N 121.241 0.000 1 138 75 76 PHE H H 7.624 0.000 1 139 75 76 PHE N N 122.371 0.000 1 140 76 77 SER H H 7.928 0.000 1 141 76 77 SER N N 115.519 0.000 1 142 77 78 ILE H H 8.992 0.000 1 143 77 78 ILE N N 119.288 0.000 1 144 79 80 VAL H H 7.507 0.000 1 145 79 80 VAL N N 121.155 0.000 1 146 80 81 ILE H H 7.074 0.000 1 147 80 81 ILE N N 119.305 0.000 1 148 81 82 SER H H 8.765 0.000 1 149 81 82 SER N N 113.243 0.000 1 150 83 84 ALA H H 8.365 0.000 1 151 83 84 ALA N N 123.842 0.000 1 152 84 85 LEU H H 7.644 0.000 1 153 84 85 LEU N N 113.133 0.000 1 154 85 86 LYS H H 7.969 0.000 1 155 85 86 LYS N N 122.548 0.000 1 156 86 87 VAL H H 7.319 0.000 1 157 86 87 VAL N N 117.852 0.000 1 158 87 88 TRP H H 7.281 0.000 1 159 87 88 TRP N N 119.171 0.000 1 160 88 89 GLY H H 8.075 0.000 1 161 88 89 GLY N N 108.487 0.000 1 162 89 90 LEU H H 7.271 0.000 1 163 89 90 LEU N N 118.852 0.000 1 164 90 91 GLU H H 8.704 0.000 1 165 90 91 GLU N N 121.156 0.000 1 166 91 92 LEU H H 8.616 0.000 1 167 91 92 LEU N N 121.644 0.000 1 168 92 93 ILE H H 8.998 0.000 1 169 92 93 ILE N N 123.543 0.000 1 170 93 94 LEU H H 9.163 0.000 1 171 93 94 LEU N N 129.817 0.000 1 172 94 95 PHE H H 9.040 0.000 1 173 94 95 PHE N N 129.990 0.000 1 174 96 97 SER H H 7.734 0.000 1 175 96 97 SER N N 116.060 0.000 1 176 98 99 GLU H H 8.938 0.000 1 177 98 99 GLU N N 115.921 0.000 1 178 99 100 TYR H H 7.520 0.000 1 179 99 100 TYR N N 119.191 0.000 1 180 100 101 GLN H H 8.646 0.000 1 181 100 101 GLN N N 119.470 0.000 1 182 101 102 ARG H H 7.916 0.000 1 183 101 102 ARG N N 116.958 0.000 1 184 102 103 LEU H H 7.304 0.000 1 185 102 103 LEU N N 117.855 0.000 1 186 103 104 ARG H H 7.480 0.000 1 187 103 104 ARG N N 114.155 0.000 1 188 104 105 ILE H H 8.241 0.000 1 189 104 105 ILE N N 121.499 0.000 1 190 105 106 ASP H H 8.986 0.000 1 191 105 106 ASP N N 132.590 0.000 1 192 107 108 ILE H H 7.703 0.000 1 193 107 108 ILE N N 109.487 0.000 1 194 108 109 ASN H H 8.671 0.000 1 195 108 109 ASN N N 117.248 0.000 1 196 109 110 GLU H H 7.679 0.000 1 197 109 110 GLU N N 120.867 0.000 1 198 110 111 ARG H H 8.729 0.000 1 199 110 111 ARG N N 113.236 0.000 1 200 111 112 SER H H 7.936 0.000 1 201 111 112 SER N N 109.911 0.000 1 202 112 113 PHE H H 9.401 0.000 1 203 112 113 PHE N N 119.306 0.000 1 204 113 114 ILE H H 9.473 0.000 1 205 113 114 ILE N N 119.158 0.000 1 206 114 115 CYS H H 9.012 0.000 1 207 114 115 CYS N N 123.308 0.000 1 208 115 116 ASN H H 9.131 0.000 1 209 115 116 ASN N N 120.444 0.000 1 210 116 117 TYR H H 8.292 0.000 1 211 116 117 TYR N N 128.148 0.000 1 212 117 118 LYS H H 8.878 0.000 1 213 117 118 LYS N N 126.649 0.000 1 214 118 119 GLU H H 9.188 0.000 1 215 118 119 GLU N N 123.654 0.000 1 216 119 120 HIS H H 8.547 0.000 1 217 119 120 HIS N N 121.551 0.000 1 218 120 121 TRP H H 7.590 0.000 1 219 120 121 TRP N N 129.889 0.000 1 220 121 122 PHE H H 9.265 0.000 1 221 121 122 PHE N N 116.289 0.000 1 222 122 123 THR H H 8.817 0.000 1 223 122 123 THR N N 119.349 0.000 1 224 123 124 VAL H H 8.785 0.000 1 225 123 124 VAL N N 128.559 0.000 1 226 125 126 LYS H H 8.058 0.000 1 227 125 126 LYS N N 128.365 0.000 1 228 126 127 LEU H H 9.381 0.000 1 229 126 127 LEU N N 132.780 0.000 1 230 127 128 GLY H H 9.454 0.000 1 231 127 128 GLY N N 114.797 0.000 1 232 128 129 LYS H H 8.826 0.000 1 233 128 129 LYS N N 124.204 0.000 1 234 129 130 GLN H H 7.796 0.000 1 235 129 130 GLN N N 119.674 0.000 1 236 130 131 TRP H H 8.868 0.000 1 237 130 131 TRP N N 122.936 0.000 1 238 131 132 PHE H H 8.986 0.000 1 239 131 132 PHE N N 116.552 0.000 1 240 132 133 ASN H H 9.764 0.000 1 241 132 133 ASN N N 121.031 0.000 1 242 133 134 LEU H H 8.663 0.000 1 243 133 134 LEU N N 123.029 0.000 1 244 134 135 ASN H H 8.841 0.000 1 245 134 135 ASN N N 122.051 0.000 1 246 135 136 SER H H 8.433 0.000 1 247 135 136 SER N N 124.517 0.000 1 248 136 137 LEU H H 7.686 0.000 1 249 136 137 LEU N N 121.462 0.000 1 250 137 138 LEU H H 7.161 0.000 1 251 137 138 LEU N N 117.990 0.000 1 252 138 139 THR H H 8.568 0.000 1 253 138 139 THR N N 110.248 0.000 1 254 139 140 GLY H H 7.321 0.000 1 255 139 140 GLY N N 107.696 0.000 1 256 142 143 LEU H H 8.642 0.000 1 257 142 143 LEU N N 129.626 0.000 1 258 143 144 ILE H H 8.586 0.000 1 259 143 144 ILE N N 128.375 0.000 1 260 144 145 SER H H 8.814 0.000 1 261 144 145 SER N N 122.051 0.000 1 262 145 146 ASP H H 9.093 0.000 1 263 145 146 ASP N N 125.983 0.000 1 264 146 147 THR H H 7.810 0.000 1 265 146 147 THR N N 107.053 0.000 1 266 147 148 TYR H H 7.898 0.000 1 267 147 148 TYR N N 122.043 0.000 1 268 148 149 LEU H H 7.021 0.000 1 269 148 149 LEU N N 120.203 0.000 1 270 149 150 ALA H H 8.860 0.000 1 271 149 150 ALA N N 117.405 0.000 1 272 150 151 LEU H H 7.340 0.000 1 273 150 151 LEU N N 120.397 0.000 1 274 151 152 PHE H H 8.346 0.000 1 275 151 152 PHE N N 122.671 0.000 1 276 152 153 LEU H H 7.918 0.000 1 277 152 153 LEU N N 116.759 0.000 1 278 153 154 ALA H H 7.679 0.000 1 279 153 154 ALA N N 120.768 0.000 1 280 154 155 GLN H H 8.368 0.000 1 281 154 155 GLN N N 120.452 0.000 1 282 155 156 LEU H H 7.660 0.000 1 283 155 156 LEU N N 119.295 0.000 1 284 156 157 GLN H H 7.908 0.000 1 285 156 157 GLN N N 119.307 0.000 1 286 157 158 GLN H H 8.053 0.000 1 287 157 158 GLN N N 121.343 0.000 1 288 158 159 GLU H H 7.659 0.000 1 289 158 159 GLU N N 117.776 0.000 1 290 159 160 GLY H H 7.528 0.000 1 291 159 160 GLY N N 104.019 0.000 1 292 160 161 TYR H H 8.147 0.000 1 293 160 161 TYR N N 119.626 0.000 1 294 161 162 SER H H 9.229 0.000 1 295 161 162 SER N N 117.452 0.000 1 296 162 163 ILE H H 8.311 0.000 1 297 162 163 ILE N N 124.763 0.000 1 298 163 164 PHE H H 9.812 0.000 1 299 163 164 PHE N N 126.059 0.000 1 300 164 165 VAL H H 9.828 0.000 1 301 164 165 VAL N N 124.788 0.000 1 302 165 166 VAL H H 7.924 0.000 1 303 165 166 VAL N N 126.657 0.000 1 304 166 167 LYS H H 9.424 0.000 1 305 166 167 LYS N N 130.330 0.000 1 306 167 168 GLY H H 8.291 0.000 1 307 167 168 GLY N N 111.666 0.000 1 308 168 169 ASP H H 8.384 0.000 1 309 168 169 ASP N N 119.352 0.000 1 310 169 170 LEU H H 7.823 0.000 1 311 169 170 LEU N N 125.719 0.000 1 312 171 172 ASP H H 8.796 0.000 1 313 171 172 ASP N N 123.496 0.000 1 314 173 174 GLU H H 9.021 0.000 1 315 173 174 GLU N N 122.727 0.000 1 316 174 175 ALA H H 8.602 0.000 1 317 174 175 ALA N N 119.721 0.000 1 318 176 177 GLN H H 7.617 0.000 1 319 176 177 GLN N N 116.246 0.000 1 320 180 181 MET H H 7.938 0.000 1 321 180 181 MET N N 119.321 0.000 1 322 182 183 ARG CB C 30.683 0.000 1 323 183 184 VAL H H 8.081 0.001 1 324 183 184 VAL CA C 62.418 0.000 1 325 183 184 VAL CB C 32.701 0.000 1 326 183 184 VAL N N 120.732 0.019 1 327 187 188 HIS H H 8.456 0.001 1 328 187 188 HIS CA C 55.735 0.000 1 329 187 188 HIS CB C 30.382 0.000 1 330 187 188 HIS N N 123.261 0.004 1 331 191 192 LEU H H 8.408 0.000 1 332 191 192 LEU CA C 55.156 0.000 1 333 191 192 LEU CB C 40.794 0.000 1 334 191 192 LEU N N 122.588 0.000 1 335 193 194 GLY H H 8.588 0.000 1 336 193 194 GLY CA C 45.677 0.000 1 337 193 194 GLY N N 111.623 0.019 1 338 194 195 GLU H H 8.213 0.000 1 339 194 195 GLU CA C 56.703 0.000 1 340 194 195 GLU CB C 30.078 0.004 1 341 194 195 GLU N N 120.552 0.000 1 342 195 196 GLU H H 8.511 0.000 1 343 195 196 GLU CA C 57.510 0.001 1 344 195 196 GLU CB C 29.881 0.001 1 345 195 196 GLU N N 121.220 0.025 1 346 196 197 LEU H H 8.123 0.001 1 347 196 197 LEU CA C 55.886 0.001 1 348 196 197 LEU CB C 41.895 0.065 1 349 196 197 LEU N N 121.739 0.024 1 350 197 198 ALA H H 8.074 0.001 1 351 197 198 ALA CA C 53.515 0.009 1 352 197 198 ALA CB C 18.731 0.019 1 353 197 198 ALA N N 123.248 0.040 1 354 198 199 GLN H H 8.122 0.001 1 355 198 199 GLN CA C 56.610 0.010 1 356 198 199 GLN CB C 29.061 0.005 1 357 198 199 GLN N N 117.982 0.002 1 358 199 200 LEU H H 8.026 0.000 1 359 199 200 LEU CA C 55.813 0.001 1 360 199 200 LEU CB C 42.091 0.014 1 361 199 200 LEU N N 122.077 0.004 1 362 200 201 LYS H H 8.151 0.000 1 363 200 201 LYS CA C 57.082 0.000 1 364 200 201 LYS CB C 32.825 0.000 1 365 200 201 LYS N N 121.017 0.002 1 366 202 203 GLN H H 8.261 0.000 1 367 202 203 GLN CA C 56.034 0.000 1 368 202 203 GLN CB C 29.347 0.001 1 369 202 203 GLN N N 120.671 0.017 1 370 203 204 ARG H H 8.247 0.000 1 371 203 204 ARG CA C 63.524 0.000 1 372 203 204 ARG CB C 30.779 0.000 1 373 203 204 ARG N N 121.866 0.014 1 374 204 205 VAL H H 8.025 0.000 1 375 204 205 VAL CA C 59.250 0.000 1 376 204 205 VAL CB C 32.306 0.000 1 377 204 205 VAL N N 119.034 0.000 1 378 206 207 LYS H H 8.378 0.000 1 379 206 207 LYS CA C 56.620 0.000 1 380 206 207 LYS CB C 33.435 0.002 1 381 206 207 LYS N N 123.714 0.000 1 382 207 208 THR H H 8.342 0.002 1 383 207 208 THR CA C 61.901 0.015 1 384 207 208 THR CB C 69.954 0.001 1 385 207 208 THR N N 114.705 0.030 1 386 208 209 ASP H H 8.417 0.002 1 387 208 209 ASP CA C 55.163 0.009 1 388 208 209 ASP CB C 40.795 0.007 1 389 208 209 ASP N N 122.153 0.046 1 390 209 210 LEU H H 8.104 0.000 1 391 209 210 LEU CA C 56.621 0.000 1 392 209 210 LEU CB C 42.256 0.004 1 393 209 210 LEU N N 121.409 0.001 1 394 210 211 GLU H H 8.171 0.000 1 395 210 211 GLU CA C 57.225 0.000 1 396 210 211 GLU CB C 30.032 0.000 1 397 210 211 GLU N N 120.004 0.004 1 398 211 212 ARG H H 8.051 0.000 1 399 211 212 ARG N N 120.701 0.000 1 400 212 213 VAL H H 8.075 0.000 1 401 212 213 VAL CA C 63.066 0.010 1 402 212 213 VAL CB C 32.223 0.002 1 403 212 213 VAL N N 121.363 0.000 1 404 213 214 LEU H H 8.243 0.002 1 405 213 214 LEU CA C 55.487 0.001 1 406 213 214 LEU CB C 42.131 0.001 1 407 213 214 LEU N N 124.863 0.020 1 408 214 215 GLU H H 8.245 0.001 1 409 214 215 GLU CA C 56.631 0.001 1 410 214 215 GLU CB C 30.238 0.002 1 411 214 215 GLU N N 121.187 0.001 1 412 215 216 ALA H H 8.191 0.001 1 413 215 216 ALA CA C 52.656 0.001 1 414 215 216 ALA CB C 19.212 0.000 1 415 215 216 ALA N N 124.344 0.001 1 416 216 217 ASN H H 8.381 0.000 1 417 216 217 ASN CA C 53.248 0.063 1 418 216 217 ASN CB C 39.014 0.001 1 419 216 217 ASN N N 117.957 0.021 1 420 217 218 ASP H H 8.291 0.003 1 421 217 218 ASP CA C 54.336 0.057 1 422 217 218 ASP CB C 41.034 0.002 1 423 217 218 ASP N N 120.667 0.023 1 424 218 219 GLY H H 8.417 0.001 1 425 218 219 GLY CA C 45.628 0.039 1 426 218 219 GLY N N 109.405 0.074 1 427 219 220 SER H H 8.297 0.001 1 428 219 220 SER CA C 59.135 0.006 1 429 219 220 SER CB C 63.827 0.001 1 430 219 220 SER N N 116.003 0.006 1 431 220 221 GLY H H 8.516 0.001 1 432 220 221 GLY CA C 45.473 0.005 1 433 220 221 GLY N N 110.728 0.006 1 434 221 222 MET H H 8.144 0.001 1 435 221 222 MET CA C 55.693 0.001 1 436 221 222 MET CB C 33.021 0.003 1 437 221 222 MET N N 119.674 0.056 1 438 222 223 LEU H H 8.331 0.001 1 439 222 223 LEU CA C 55.068 0.004 1 440 222 223 LEU CB C 42.553 0.000 1 441 222 223 LEU N N 123.298 0.001 1 442 223 224 ASP H H 8.402 0.000 1 443 223 224 ASP CA C 54.356 0.000 1 444 223 224 ASP CB C 41.211 0.002 1 445 223 224 ASP N N 121.768 0.011 1 446 224 225 GLU H H 8.438 0.000 1 447 224 225 GLU CA C 57.158 0.001 1 448 224 225 GLU CB C 30.346 0.016 1 449 224 225 GLU N N 121.228 0.002 1 450 225 226 ASP H H 8.409 0.000 1 451 225 226 ASP CA C 54.857 0.002 1 452 225 226 ASP CB C 41.229 0.001 1 453 225 226 ASP N N 121.104 0.001 1 454 226 227 GLU H H 8.337 0.001 1 455 226 227 GLU CA C 57.990 0.000 1 456 226 227 GLU CB C 29.933 0.005 1 457 226 227 GLU N N 122.145 0.007 1 458 227 228 GLU H H 8.438 0.001 1 459 227 228 GLU CA C 58.299 0.000 1 460 227 228 GLU CB C 30.137 0.000 1 461 227 228 GLU N N 121.029 0.000 1 462 228 229 ASP CA C 55.986 0.000 1 463 228 229 ASP CB C 40.788 0.000 1 464 229 230 LEU H H 8.111 0.001 1 465 229 230 LEU CA C 57.353 0.000 1 466 229 230 LEU CB C 41.706 0.001 1 467 229 230 LEU N N 122.709 0.002 1 468 230 231 GLN H H 8.221 0.001 1 469 230 231 GLN CA C 58.147 0.000 1 470 230 231 GLN CB C 28.179 0.000 1 471 230 231 GLN N N 117.865 0.008 1 472 231 232 ARG H H 8.034 0.000 1 473 231 232 ARG CA C 58.402 0.027 1 474 231 232 ARG CB C 30.231 0.000 1 475 231 232 ARG N N 120.736 0.002 1 476 232 233 ALA H H 7.973 0.003 1 477 232 233 ALA CA C 54.308 0.048 1 478 232 233 ALA CB C 18.384 0.000 1 479 232 233 ALA N N 122.225 0.050 1 480 233 234 LEU H H 8.104 0.002 1 481 233 234 LEU CA C 56.610 0.030 1 482 233 234 LEU CB C 41.954 0.001 1 483 233 234 LEU N N 119.597 0.060 1 484 234 235 ALA H H 7.906 0.000 1 485 234 235 ALA CA C 53.894 0.004 1 486 234 235 ALA CB C 18.471 0.000 1 487 234 235 ALA N N 122.498 0.004 1 488 235 236 LEU H H 7.909 0.001 1 489 235 236 LEU CA C 56.210 0.050 1 490 235 236 LEU CB C 42.116 0.000 1 491 235 236 LEU N N 119.181 0.020 1 492 236 237 SER H H 8.026 0.001 1 493 236 237 SER CA C 59.413 0.035 1 494 236 237 SER CB C 63.665 0.000 1 495 236 237 SER N N 115.270 0.015 1 496 237 238 ARG H H 8.026 0.000 1 497 237 238 ARG CA C 55.450 0.000 1 498 237 238 ARG CB C 30.661 0.006 1 499 237 238 ARG N N 121.908 0.000 1 500 238 239 GLN H H 8.198 0.000 1 501 238 239 GLN CA C 53.993 0.000 1 502 238 239 GLN CB C 29.360 0.006 1 503 238 239 GLN N N 120.357 0.000 1 504 239 240 GLU H H 8.334 0.000 1 505 239 240 GLU CA C 56.898 0.002 1 506 239 240 GLU CB C 30.084 0.001 1 507 239 240 GLU N N 121.309 0.001 1 508 240 241 ILE H H 8.011 0.000 1 509 240 241 ILE CA C 61.219 0.001 1 510 240 241 ILE CB C 39.037 0.000 1 511 240 241 ILE N N 120.441 0.003 1 512 241 242 ASP H H 8.367 0.000 1 513 241 242 ASP CA C 54.417 0.000 1 514 241 242 ASP CB C 41.085 0.001 1 515 241 242 ASP N N 123.767 0.003 1 516 242 243 MET H H 8.257 0.000 1 517 242 243 MET CA C 55.882 0.000 1 518 242 243 MET CB C 33.025 0.001 1 519 242 243 MET N N 120.959 0.001 1 520 243 244 GLU H H 8.468 0.001 1 521 243 244 GLU CA C 57.014 0.002 1 522 243 244 GLU CB C 29.949 0.000 1 523 243 244 GLU N N 121.552 0.006 1 524 244 245 ASP H H 8.272 0.000 1 525 244 245 ASP CA C 54.499 0.003 1 526 244 245 ASP CB C 41.232 0.000 1 527 244 245 ASP N N 121.283 0.000 1 528 245 246 GLU H H 8.553 0.001 1 529 245 246 GLU CA C 58.314 0.001 1 530 245 246 GLU CB C 29.936 0.000 1 531 245 246 GLU N N 121.978 0.004 1 532 246 247 GLU H H 8.317 0.002 1 533 246 247 GLU CA C 57.882 0.040 1 534 246 247 GLU CB C 29.607 0.004 1 535 246 247 GLU N N 119.986 0.013 1 536 247 248 ALA H H 8.040 0.002 1 537 247 248 ALA CA C 54.623 0.052 1 538 247 248 ALA CB C 18.660 0.013 1 539 247 248 ALA N N 123.251 0.024 1 540 248 249 ASP H H 8.275 0.001 1 541 248 249 ASP CA C 56.460 0.017 1 542 248 249 ASP CB C 40.638 0.003 1 543 248 249 ASP N N 118.623 0.007 1 544 249 250 LEU H H 8.002 0.001 1 545 249 250 LEU CA C 57.251 0.056 1 546 249 250 LEU CB C 41.666 0.001 1 547 249 250 LEU N N 122.561 0.005 1 548 250 251 ARG H H 8.112 0.000 1 549 250 251 ARG CA C 58.819 0.001 1 550 250 251 ARG CB C 30.005 0.001 1 551 250 251 ARG N N 118.344 0.000 1 552 251 252 ARG H H 7.963 0.000 1 553 251 252 ARG CA C 58.390 0.003 1 554 251 252 ARG CB C 30.313 0.003 1 555 251 252 ARG N N 119.555 0.000 1 556 252 253 ALA H H 7.977 0.000 1 557 252 253 ALA CA C 54.330 0.060 1 558 252 253 ALA CB C 18.389 0.004 1 559 252 253 ALA N N 122.369 0.001 1 560 253 254 ILE H H 8.106 0.000 1 561 253 254 ILE CA C 63.519 0.003 1 562 253 254 ILE CB C 38.213 0.000 1 563 253 254 ILE N N 119.209 0.007 1 564 254 255 GLN H H 8.116 0.000 1 565 254 255 GLN CA C 57.952 0.002 1 566 254 255 GLN CB C 28.619 0.000 1 567 254 255 GLN N N 121.487 0.029 1 568 255 256 LEU H H 8.221 0.000 1 569 255 256 LEU CA C 56.565 0.000 1 570 255 256 LEU CB C 41.929 0.001 1 571 255 256 LEU N N 120.649 0.001 1 572 256 257 SER H H 8.025 0.001 1 573 256 257 SER CA C 59.703 0.002 1 574 256 257 SER CB C 63.493 0.004 1 575 256 257 SER N N 115.101 0.001 1 576 257 258 MET H H 8.045 0.001 1 577 257 258 MET CA C 56.175 0.000 1 578 257 258 MET CB C 32.645 0.001 1 579 257 258 MET N N 120.698 0.028 1 580 258 259 GLN H H 8.105 0.001 1 581 258 259 GLN CA C 56.597 0.001 1 582 258 259 GLN CB C 29.195 0.001 1 583 258 259 GLN N N 119.785 0.007 1 584 259 260 GLY H H 8.343 0.000 1 585 259 260 GLY CA C 45.595 0.001 1 586 259 260 GLY N N 109.344 0.002 1 587 260 261 SER H H 8.192 0.000 1 588 260 261 SER CA C 58.459 0.000 1 589 260 261 SER CB C 63.942 0.000 1 590 260 261 SER N N 115.445 0.001 1 591 261 262 SER CA C 58.540 0.000 1 592 261 262 SER CB C 63.688 0.000 1 593 262 263 ARG H H 8.257 0.001 1 594 262 263 ARG CA C 56.246 0.004 1 595 262 263 ARG CB C 30.754 0.007 1 596 262 263 ARG N N 122.140 0.000 1 597 263 264 ASN H H 8.394 0.000 1 598 263 264 ASN CA C 53.228 0.035 1 599 263 264 ASN CB C 38.731 0.000 1 600 263 264 ASN N N 119.677 0.005 1 601 264 265 ILE H H 8.089 0.001 1 602 264 265 ILE CA C 61.358 0.058 1 603 264 265 ILE CB C 38.733 0.000 1 604 264 265 ILE N N 120.889 0.016 1 605 265 266 SER H H 8.319 0.001 1 606 265 266 SER CA C 58.475 0.057 1 607 265 266 SER CB C 63.799 0.001 1 608 265 266 SER N N 119.160 0.000 1 609 266 267 GLN H H 8.378 0.000 1 610 266 267 GLN CA C 56.181 0.000 1 611 266 267 GLN CB C 29.429 0.002 1 612 266 267 GLN N N 122.133 0.000 1 613 267 268 ASP H H 8.302 0.000 1 614 267 268 ASP CA C 54.438 0.001 1 615 267 268 ASP CB C 40.992 0.001 1 616 267 268 ASP N N 120.828 0.000 1 617 268 269 MET H H 8.392 0.000 1 618 268 269 MET CA C 55.741 0.002 1 619 268 269 MET CB C 32.348 0.000 1 620 268 269 MET N N 121.309 0.001 1 621 269 270 THR H H 8.245 0.000 1 622 269 270 THR CA C 62.783 0.000 1 623 269 270 THR CB C 69.599 0.000 1 624 269 270 THR N N 114.264 0.000 1 625 270 271 GLN H H 8.268 0.000 1 626 270 271 GLN CA C 55.886 0.000 1 627 270 271 GLN CB C 29.345 0.000 1 628 270 271 GLN N N 121.950 0.000 1 629 271 272 THR H H 8.175 0.000 1 630 271 272 THR CA C 61.908 0.003 1 631 271 272 THR CB C 69.678 0.000 1 632 271 272 THR N N 114.557 0.000 1 633 272 273 SER H H 8.342 0.000 1 634 272 273 SER CA C 58.567 0.056 1 635 272 273 SER CB C 63.814 0.010 1 636 272 273 SER N N 117.909 0.001 1 637 273 274 GLY H H 8.469 0.001 1 638 273 274 GLY CA C 45.515 0.014 1 639 273 274 GLY N N 110.731 0.014 1 640 274 275 THR H H 8.046 0.002 1 641 274 275 THR CA C 61.947 0.014 1 642 274 275 THR CB C 69.740 0.000 1 643 274 275 THR N N 113.388 0.007 1 644 275 276 ASN H H 8.505 0.001 1 645 275 276 ASN CA C 53.272 0.035 1 646 275 276 ASN CB C 38.727 0.003 1 647 275 276 ASN N N 121.138 0.020 1 648 276 277 LEU H H 8.169 0.005 1 649 276 277 LEU CA C 55.198 0.033 1 650 276 277 LEU CB C 42.798 0.004 1 651 276 277 LEU N N 122.537 0.006 1 652 277 278 THR H H 8.384 0.008 1 653 277 278 THR CA C 61.652 0.020 1 654 277 278 THR CB C 70.612 0.002 1 655 277 278 THR N N 113.563 0.008 1 656 278 279 SER H H 8.744 0.001 1 657 278 279 SER CA C 61.167 0.004 1 658 278 279 SER CB C 62.647 0.001 1 659 278 279 SER N N 116.832 0.010 1 660 279 280 GLU H H 8.506 0.001 1 661 279 280 GLU CA C 59.137 0.001 1 662 279 280 GLU CB C 29.496 0.008 1 663 279 280 GLU N N 122.475 0.002 1 664 280 281 GLU H H 8.362 0.001 1 665 280 281 GLU CA C 59.069 0.003 1 666 280 281 GLU CB C 29.687 0.002 1 667 280 281 GLU N N 119.432 0.000 1 668 281 282 LEU H H 8.268 0.000 1 669 281 282 LEU CA C 58.097 0.003 1 670 281 282 LEU CB C 41.673 0.001 1 671 281 282 LEU N N 120.481 0.000 1 672 282 283 ARG H H 8.049 0.000 1 673 282 283 ARG CA C 59.603 0.000 1 674 282 283 ARG CB C 29.777 0.000 1 675 282 283 ARG N N 120.215 0.016 1 676 283 284 LYS H H 7.910 0.001 1 677 283 284 LYS CA C 58.338 0.000 1 678 283 284 LYS CB C 32.127 0.000 1 679 283 284 LYS N N 119.945 0.001 1 680 284 285 ARG H H 8.072 0.000 1 681 284 285 ARG CA C 58.821 0.000 1 682 284 285 ARG CB C 30.380 0.000 1 683 284 285 ARG N N 119.779 0.002 1 684 285 286 ARG H H 8.200 0.000 1 685 285 286 ARG CA C 59.020 0.000 1 686 285 286 ARG CB C 29.619 0.000 1 687 285 286 ARG N N 120.892 0.003 1 688 286 287 GLU H H 7.948 0.000 1 689 286 287 GLU CA C 59.137 0.001 1 690 286 287 GLU CB C 29.655 0.000 1 691 286 287 GLU N N 120.476 0.000 1 692 287 288 ALA H H 8.031 0.000 1 693 287 288 ALA CA C 53.091 0.000 1 694 287 288 ALA CB C 18.594 0.001 1 695 287 288 ALA N N 121.841 0.001 1 696 288 289 TYR H H 7.943 0.000 1 697 288 289 TYR CA C 60.766 0.000 1 698 288 289 TYR CB C 38.125 0.000 1 699 288 289 TYR N N 119.514 0.010 1 700 289 290 PHE H H 8.174 0.000 1 701 289 290 PHE CA C 60.530 0.000 1 702 289 290 PHE CB C 38.583 0.000 1 703 289 290 PHE N N 119.592 0.009 1 704 298 299 GLN H H 8.247 0.000 1 705 298 299 GLN CA C 56.947 0.000 1 706 298 299 GLN CB C 29.048 0.000 1 707 298 299 GLN N N 120.315 0.000 1 708 299 300 GLN H H 8.270 0.000 1 709 299 300 GLN CA C 56.859 0.000 1 710 299 300 GLN CB C 29.188 0.000 1 711 299 300 GLN N N 120.453 0.000 1 712 300 301 GLN H H 8.300 0.000 1 713 300 301 GLN CA C 56.681 0.000 1 714 300 301 GLN CB C 29.202 0.000 1 715 300 301 GLN N N 120.570 0.000 1 716 301 302 GLN H H 8.310 0.000 1 717 301 302 GLN CA C 56.543 0.000 1 718 301 302 GLN CB C 29.210 0.000 1 719 301 302 GLN N N 120.404 0.001 1 720 302 303 GLN H H 8.331 0.000 1 721 302 303 GLN CA C 56.350 0.000 1 722 302 303 GLN CB C 29.252 0.000 1 723 302 303 GLN N N 120.828 0.000 1 724 303 304 GLN H H 8.354 0.000 1 725 303 304 GLN CA C 56.289 0.000 1 726 303 304 GLN CB C 29.350 0.000 1 727 303 304 GLN N N 121.064 0.007 1 728 304 305 GLN H H 8.421 0.000 1 729 304 305 GLN CA C 56.001 0.000 1 730 304 305 GLN CB C 29.395 0.000 1 731 304 305 GLN N N 121.346 0.000 1 732 305 306 GLN H H 8.439 0.000 1 733 305 306 GLN CA C 56.123 0.001 1 734 305 306 GLN CB C 29.494 0.001 1 735 305 306 GLN N N 121.399 0.000 1 736 306 307 GLY H H 8.392 0.000 1 737 306 307 GLY CA C 45.296 0.003 1 738 306 307 GLY N N 109.881 0.007 1 739 307 308 ASP H H 8.245 0.000 1 740 307 308 ASP CA C 54.273 0.004 1 741 307 308 ASP CB C 41.201 0.005 1 742 307 308 ASP N N 120.323 0.001 1 743 308 309 LEU H H 8.363 0.000 1 744 308 309 LEU CA C 55.437 0.001 1 745 308 309 LEU CB C 41.806 0.002 1 746 308 309 LEU N N 123.365 0.001 1 747 309 310 SER H H 8.360 0.001 1 748 309 310 SER CA C 59.380 0.023 1 749 309 310 SER CB C 63.724 0.000 1 750 309 310 SER N N 116.192 0.014 1 751 310 311 GLY H H 8.391 0.001 1 752 310 311 GLY CA C 45.458 0.019 1 753 310 311 GLY N N 110.644 0.002 1 754 311 312 GLN H H 8.144 0.001 1 755 311 312 GLN CA C 55.621 0.000 1 756 311 312 GLN CB C 29.430 0.000 1 757 311 312 GLN N N 119.644 0.050 1 758 312 313 SER H H 8.363 0.001 1 759 312 313 SER CA C 58.338 0.028 1 760 312 313 SER CB C 63.695 0.000 1 761 312 313 SER N N 116.567 0.006 1 762 313 314 SER H H 8.261 0.001 1 763 313 314 SER CA C 58.292 0.010 1 764 313 314 SER CB C 63.812 0.002 1 765 313 314 SER N N 117.409 0.005 1 766 314 315 HIS H H 8.334 0.000 1 767 314 315 HIS CA C 53.991 0.009 1 768 314 315 HIS N N 121.660 0.021 1 769 315 316 PRO CA C 63.490 0.000 1 770 315 316 PRO CB C 32.101 0.000 1 771 316 317 CYS H H 8.636 0.001 1 772 316 317 CYS CA C 58.416 0.011 1 773 316 317 CYS CB C 28.023 0.003 1 774 316 317 CYS N N 119.672 0.006 1 775 317 318 GLU H H 8.508 0.001 1 776 317 318 GLU CA C 56.585 0.002 1 777 317 318 GLU CB C 30.438 0.000 1 778 317 318 GLU N N 123.643 0.012 1 779 318 319 ARG H H 8.363 0.000 1 780 318 319 ARG CA C 55.433 0.000 1 781 318 319 ARG CB C 30.340 0.000 1 782 318 319 ARG N N 123.249 0.000 1 783 319 320 PRO CA C 62.948 0.043 1 784 319 320 PRO CB C 32.131 0.000 1 785 320 321 ALA H H 8.528 0.001 1 786 320 321 ALA CA C 52.657 0.007 1 787 320 321 ALA CB C 19.159 0.003 1 788 320 321 ALA N N 124.795 0.009 1 789 321 322 THR H H 8.111 0.002 1 790 321 322 THR CA C 61.608 0.045 1 791 321 322 THR CB C 69.867 0.002 1 792 321 322 THR N N 112.637 0.014 1 793 322 323 SER H H 8.346 0.001 1 794 322 323 SER CA C 58.475 0.072 1 795 322 323 SER CB C 63.805 0.000 1 796 322 323 SER N N 117.860 0.024 1 797 323 324 SER H H 8.419 0.001 1 798 323 324 SER CA C 58.589 0.075 1 799 323 324 SER CB C 63.783 0.003 1 800 323 324 SER N N 117.846 0.023 1 801 324 325 GLY H H 8.387 0.002 1 802 324 325 GLY CA C 45.359 0.071 1 803 324 325 GLY N N 110.869 0.061 1 804 325 326 ALA H H 8.127 0.002 1 805 325 326 ALA CA C 52.478 0.003 1 806 325 326 ALA CB C 19.282 0.001 1 807 325 326 ALA N N 123.741 0.011 1 808 326 327 LEU H H 8.297 0.001 1 809 326 327 LEU CA C 55.395 0.050 1 810 326 327 LEU CB C 42.335 0.002 1 811 326 327 LEU N N 121.462 0.013 1 812 327 328 GLY H H 8.410 0.001 1 813 327 328 GLY CA C 45.418 0.027 1 814 327 328 GLY N N 109.839 0.001 1 815 328 329 SER H H 8.175 0.000 1 816 328 329 SER CA C 58.384 0.037 1 817 328 329 SER CB C 63.958 0.000 1 818 328 329 SER N N 115.315 0.004 1 819 329 330 ASP H H 8.477 0.001 1 820 329 330 ASP CA C 54.400 0.047 1 821 329 330 ASP CB C 41.034 0.000 1 822 329 330 ASP N N 122.271 0.018 1 823 330 331 LEU H H 8.197 0.001 1 824 330 331 LEU CA C 55.424 0.032 1 825 330 331 LEU CB C 42.206 0.001 1 826 330 331 LEU N N 122.128 0.015 1 827 331 332 GLY H H 8.322 0.001 1 828 331 332 GLY CA C 45.509 0.046 1 829 331 332 GLY N N 108.965 0.007 1 830 332 333 ASP H H 8.200 0.001 1 831 332 333 ASP CA C 54.278 0.026 1 832 332 333 ASP CB C 41.259 0.002 1 833 332 333 ASP N N 120.548 0.007 1 834 333 334 ALA H H 8.193 0.001 1 835 333 334 ALA CA C 52.633 0.014 1 836 333 334 ALA CB C 19.208 0.007 1 837 333 334 ALA N N 123.918 0.028 1 838 334 335 MET H H 8.288 0.001 1 839 334 335 MET CA C 55.543 0.020 1 840 334 335 MET CB C 33.513 0.000 1 841 334 335 MET N N 119.528 0.016 1 842 335 336 SER H H 8.627 0.002 1 843 335 336 SER CA C 58.000 0.016 1 844 335 336 SER CB C 64.397 0.001 1 845 335 336 SER N N 118.073 0.011 1 846 336 337 GLU H H 8.710 0.000 1 847 336 337 GLU CA C 58.199 0.007 1 848 336 337 GLU CB C 29.852 0.000 1 849 336 337 GLU N N 122.953 0.028 1 850 337 338 GLU H H 8.507 0.000 1 851 337 338 GLU CA C 58.324 0.055 1 852 337 338 GLU CB C 29.755 0.000 1 853 337 338 GLU N N 120.111 0.003 1 854 338 339 ASP H H 8.124 0.001 1 855 338 339 ASP CA C 55.711 0.042 1 856 338 339 ASP CB C 40.779 0.003 1 857 338 339 ASP N N 120.722 0.070 1 858 339 340 MET H H 8.198 0.000 1 859 339 340 MET CA C 56.943 0.001 1 860 339 340 MET CB C 32.533 0.000 1 861 339 340 MET N N 120.539 0.000 1 862 340 341 LEU H H 8.109 0.000 1 863 340 341 LEU CA C 56.492 0.000 1 864 340 341 LEU CB C 41.814 0.001 1 865 340 341 LEU N N 121.667 0.003 1 866 341 342 GLN H H 8.041 0.002 1 867 341 342 GLN CA C 56.701 0.021 1 868 341 342 GLN CB C 28.852 0.004 1 869 341 342 GLN N N 119.213 0.009 1 870 342 343 ALA H H 8.064 0.001 1 871 342 343 ALA CA C 53.245 0.067 1 872 342 343 ALA CB C 18.799 0.000 1 873 342 343 ALA N N 123.562 0.013 1 874 343 344 ALA H H 8.009 0.002 1 875 343 344 ALA CA C 53.155 0.058 1 876 343 344 ALA CB C 18.798 0.001 1 877 343 344 ALA N N 121.964 0.011 1 878 344 345 VAL H H 7.981 0.001 1 879 344 345 VAL CA C 63.290 0.025 1 880 344 345 VAL CB C 32.429 0.002 1 881 344 345 VAL N N 118.732 0.012 1 882 345 346 THR H H 8.151 0.001 1 883 345 346 THR CA C 62.794 0.067 1 884 345 346 THR CB C 69.518 0.003 1 885 345 346 THR N N 117.214 0.015 1 886 346 347 MET H H 8.265 0.001 1 887 346 347 MET CA C 55.954 0.041 1 888 346 347 MET CB C 32.872 0.000 1 889 346 347 MET N N 122.387 0.004 1 890 347 348 SER H H 8.246 0.001 1 891 347 348 SER CA C 58.506 0.065 1 892 347 348 SER CB C 63.642 0.003 1 893 347 348 SER N N 116.780 0.008 1 894 348 349 LEU H H 8.267 0.002 1 895 348 349 LEU CA C 55.614 0.036 1 896 348 349 LEU CB C 42.248 0.005 1 897 348 349 LEU N N 124.073 0.016 1 898 349 350 GLU H H 8.327 0.002 1 899 349 350 GLU CA C 56.929 0.024 1 900 349 350 GLU CB C 30.154 0.003 1 901 349 350 GLU N N 120.675 0.012 1 902 350 351 THR H H 8.079 0.001 1 903 350 351 THR CA C 62.440 0.000 1 904 350 351 THR CB C 69.649 0.000 1 905 350 351 THR N N 115.150 0.010 1 906 351 352 VAL H H 8.042 0.000 1 907 351 352 VAL CA C 62.626 0.055 1 908 351 352 VAL CB C 32.532 0.003 1 909 351 352 VAL N N 122.808 0.009 1 910 352 353 ARG H H 8.363 0.001 1 911 352 353 ARG CA C 56.074 0.044 1 912 352 353 ARG CB C 30.834 0.003 1 913 352 353 ARG N N 124.623 0.004 1 914 353 354 ASN H H 8.491 0.001 1 915 353 354 ASN CA C 53.500 0.066 1 916 353 354 ASN CB C 38.920 0.001 1 917 353 354 ASN N N 120.464 0.010 1 918 354 355 ASP H H 8.432 0.001 1 919 354 355 ASP CA C 54.376 0.070 1 920 354 355 ASP CB C 40.779 0.001 1 921 354 355 ASP N N 120.421 0.010 1 922 355 356 LEU H H 8.032 0.001 1 923 355 356 LEU CA C 55.476 0.028 1 924 355 356 LEU CB C 42.105 0.004 1 925 355 356 LEU N N 121.663 0.008 1 926 356 357 LYS H H 8.243 0.000 1 927 356 357 LYS CA C 56.515 0.036 1 928 356 357 LYS CB C 32.666 0.003 1 929 356 357 LYS N N 121.672 0.003 1 930 357 358 THR H H 8.096 0.001 1 931 357 358 THR CA C 61.895 0.009 1 932 357 358 THR CB C 69.673 0.000 1 933 357 358 THR N N 114.957 0.005 1 934 358 359 GLU H H 8.428 0.001 1 935 358 359 GLU CA C 56.796 0.026 1 936 358 359 GLU CB C 30.361 0.000 1 937 358 359 GLU N N 123.310 0.003 1 938 359 360 GLY H H 8.441 0.001 1 939 359 360 GLY CA C 45.276 0.021 1 940 359 360 GLY N N 110.166 0.007 1 941 360 361 LYS H H 8.091 0.001 1 942 360 361 LYS CA C 56.241 0.013 1 943 360 361 LYS CB C 33.142 0.001 1 944 360 361 LYS N N 121.406 0.010 1 945 361 362 LYS H H 8.026 0.000 1 946 361 362 LYS CA C 57.679 0.000 1 947 361 362 LYS CB C 33.626 0.000 1 948 361 362 LYS N N 128.617 0.003 1 stop_ save_