data_19015 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone resonance assignments for G protein alpha i3 subunit in the GDP-bound state ; _BMRB_accession_number 19015 _BMRB_flat_file_name bmr19015.str _Entry_type original _Submission_date 2013-02-07 _Accession_date 2013-02-07 _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 Mase Yoko . . 2 Yokogawa Mariko . . 3 Osawa Masanori . . 4 Shimada Ichio . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 301 "13C chemical shifts" 925 "15N chemical shifts" 301 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-02-24 update BMRB 'update entry citation' 2013-06-28 original author 'original release' stop_ _Original_release_date 2013-02-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Backbone resonance assignments for G protein alpha i3 subunit in the GDP-bound state ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23771857 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mase Yoko . . 2 Yokogawa Mariko . . 3 Osawa Masanori . . 4 Shimada Ichio . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_volume 8 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 237 _Page_last 241 _Year 2014 _Details . loop_ _Keyword 'G protein alpha subunit' 'heterotrimeric guanine-nucleotide binding protein' 'signal transduction' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Galphai3 bound to GDP' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'G protein alphai3 subunit' $G_protein_alphai3_subunit 'deltaN-G protein alphai3 subunit' $deltaN-G_protein_alphai3_subunit GDP $entity_GDP stop_ _System_molecular_weight 41500 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Galphai3 in complex with GDP' save_ ######################## # Monomeric polymers # ######################## save_G_protein_alphai3_subunit _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common G_protein_alphai3_subunit _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 359 _Mol_residue_sequence ; GPDDHMGCTLSAEDKAAVER SKMIDRNLREDGEKAAKEVK LLLLGAGESGKSTIVKQMKI IHEDGYSEDECKQYKVVVYS NTIQSIIAIIRAMGRLKIDF GEAARADDARQLFVLAGSAE EGVMTPELAGVIKRLWRDGG VQACFSRSREYQLNDSASYY LNDLDRISQSNYIPTQQDVL RTRVKTTGIVETHFTFKDLY FKMFDVGGQRSERKKWIHCF EGVTAIIFCVALSDYDLVLA EDEEMNRMHESMKLFDSICN NKWFTETSIILFLNKKDLFE EKIKRSPLTICYPEYTGSNT YEEAAAYIQCQFEDLNRRKD TKEIYTHFTCATDTKNVQFV FDAVTDVIIKNNLKECGLY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -5 GLY 2 -4 PRO 3 -3 ASP 4 -2 ASP 5 -1 HIS 6 0 MET 7 1 GLY 8 2 CYS 9 3 THR 10 4 LEU 11 5 SER 12 6 ALA 13 7 GLU 14 8 ASP 15 9 LYS 16 10 ALA 17 11 ALA 18 12 VAL 19 13 GLU 20 14 ARG 21 15 SER 22 16 LYS 23 17 MET 24 18 ILE 25 19 ASP 26 20 ARG 27 21 ASN 28 22 LEU 29 23 ARG 30 24 GLU 31 25 ASP 32 26 GLY 33 27 GLU 34 28 LYS 35 29 ALA 36 30 ALA 37 31 LYS 38 32 GLU 39 33 VAL 40 34 LYS 41 35 LEU 42 36 LEU 43 37 LEU 44 38 LEU 45 39 GLY 46 40 ALA 47 41 GLY 48 42 GLU 49 43 SER 50 44 GLY 51 45 LYS 52 46 SER 53 47 THR 54 48 ILE 55 49 VAL 56 50 LYS 57 51 GLN 58 52 MET 59 53 LYS 60 54 ILE 61 55 ILE 62 56 HIS 63 57 GLU 64 58 ASP 65 59 GLY 66 60 TYR 67 61 SER 68 62 GLU 69 63 ASP 70 64 GLU 71 65 CYS 72 66 LYS 73 67 GLN 74 68 TYR 75 69 LYS 76 70 VAL 77 71 VAL 78 72 VAL 79 73 TYR 80 74 SER 81 75 ASN 82 76 THR 83 77 ILE 84 78 GLN 85 79 SER 86 80 ILE 87 81 ILE 88 82 ALA 89 83 ILE 90 84 ILE 91 85 ARG 92 86 ALA 93 87 MET 94 88 GLY 95 89 ARG 96 90 LEU 97 91 LYS 98 92 ILE 99 93 ASP 100 94 PHE 101 95 GLY 102 96 GLU 103 97 ALA 104 98 ALA 105 99 ARG 106 100 ALA 107 101 ASP 108 102 ASP 109 103 ALA 110 104 ARG 111 105 GLN 112 106 LEU 113 107 PHE 114 108 VAL 115 109 LEU 116 110 ALA 117 111 GLY 118 112 SER 119 113 ALA 120 114 GLU 121 115 GLU 122 116 GLY 123 117 VAL 124 118 MET 125 119 THR 126 120 PRO 127 121 GLU 128 122 LEU 129 123 ALA 130 124 GLY 131 125 VAL 132 126 ILE 133 127 LYS 134 128 ARG 135 129 LEU 136 130 TRP 137 131 ARG 138 132 ASP 139 133 GLY 140 134 GLY 141 135 VAL 142 136 GLN 143 137 ALA 144 138 CYS 145 139 PHE 146 140 SER 147 141 ARG 148 142 SER 149 143 ARG 150 144 GLU 151 145 TYR 152 146 GLN 153 147 LEU 154 148 ASN 155 149 ASP 156 150 SER 157 151 ALA 158 152 SER 159 153 TYR 160 154 TYR 161 155 LEU 162 156 ASN 163 157 ASP 164 158 LEU 165 159 ASP 166 160 ARG 167 161 ILE 168 162 SER 169 163 GLN 170 164 SER 171 165 ASN 172 166 TYR 173 167 ILE 174 168 PRO 175 169 THR 176 170 GLN 177 171 GLN 178 172 ASP 179 173 VAL 180 174 LEU 181 175 ARG 182 176 THR 183 177 ARG 184 178 VAL 185 179 LYS 186 180 THR 187 181 THR 188 182 GLY 189 183 ILE 190 184 VAL 191 185 GLU 192 186 THR 193 187 HIS 194 188 PHE 195 189 THR 196 190 PHE 197 191 LYS 198 192 ASP 199 193 LEU 200 194 TYR 201 195 PHE 202 196 LYS 203 197 MET 204 198 PHE 205 199 ASP 206 200 VAL 207 201 GLY 208 202 GLY 209 203 GLN 210 204 ARG 211 205 SER 212 206 GLU 213 207 ARG 214 208 LYS 215 209 LYS 216 210 TRP 217 211 ILE 218 212 HIS 219 213 CYS 220 214 PHE 221 215 GLU 222 216 GLY 223 217 VAL 224 218 THR 225 219 ALA 226 220 ILE 227 221 ILE 228 222 PHE 229 223 CYS 230 224 VAL 231 225 ALA 232 226 LEU 233 227 SER 234 228 ASP 235 229 TYR 236 230 ASP 237 231 LEU 238 232 VAL 239 233 LEU 240 234 ALA 241 235 GLU 242 236 ASP 243 237 GLU 244 238 GLU 245 239 MET 246 240 ASN 247 241 ARG 248 242 MET 249 243 HIS 250 244 GLU 251 245 SER 252 246 MET 253 247 LYS 254 248 LEU 255 249 PHE 256 250 ASP 257 251 SER 258 252 ILE 259 253 CYS 260 254 ASN 261 255 ASN 262 256 LYS 263 257 TRP 264 258 PHE 265 259 THR 266 260 GLU 267 261 THR 268 262 SER 269 263 ILE 270 264 ILE 271 265 LEU 272 266 PHE 273 267 LEU 274 268 ASN 275 269 LYS 276 270 LYS 277 271 ASP 278 272 LEU 279 273 PHE 280 274 GLU 281 275 GLU 282 276 LYS 283 277 ILE 284 278 LYS 285 279 ARG 286 280 SER 287 281 PRO 288 282 LEU 289 283 THR 290 284 ILE 291 285 CYS 292 286 TYR 293 287 PRO 294 288 GLU 295 289 TYR 296 290 THR 297 291 GLY 298 292 SER 299 293 ASN 300 294 THR 301 295 TYR 302 296 GLU 303 297 GLU 304 298 ALA 305 299 ALA 306 300 ALA 307 301 TYR 308 302 ILE 309 303 GLN 310 304 CYS 311 305 GLN 312 306 PHE 313 307 GLU 314 308 ASP 315 309 LEU 316 310 ASN 317 311 ARG 318 312 ARG 319 313 LYS 320 314 ASP 321 315 THR 322 316 LYS 323 317 GLU 324 318 ILE 325 319 TYR 326 320 THR 327 321 HIS 328 322 PHE 329 323 THR 330 324 CYS 331 325 ALA 332 326 THR 333 327 ASP 334 328 THR 335 329 LYS 336 330 ASN 337 331 VAL 338 332 GLN 339 333 PHE 340 334 VAL 341 335 PHE 342 336 ASP 343 337 ALA 344 338 VAL 345 339 THR 346 340 ASP 347 341 VAL 348 342 ILE 349 343 ILE 350 344 LYS 351 345 ASN 352 346 ASN 353 347 LEU 354 348 LYS 355 349 GLU 356 350 CYS 357 351 GLY 358 352 LEU 359 353 TYR 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 UNP P08754 'Guanine nucleotide-binding protein G(k) subunit alpha' . . . . . GB AAM12621.1 'guanine nucleotide binding protein alpha i3 [Homo sapiens]' . . . . . stop_ save_ save_deltaN-G_protein_alphai3_subunit _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common deltaN-G_protein_alphai3_subunit _Molecular_mass . _Mol_thiol_state 'all free' _Details . _Residue_count 329 _Mol_residue_sequence ; GPDDHAKEVKLLLLGAGESG KSTIVKQMKIIHEDGYSEDE CKQYKVVVYSNTIQSIIAII RAMGRLKIDFGEAARADDAR QLFVLAGSAEEGVMTPELAG VIKRLWRDGGVQACFSRSRE YQLNDSASYYLNDLDRISQS NYIPTQQDVLRTRVKTTGIV ETHFTFKDLYFKMFDVGGQR SERKKWIHCFEGVTAIIFCV ALSDYDLVLAEDEEMNRMHE SMKLFDSICNNKWFTETSII LFLNKKDLFEEKIKRSPLTI CYPEYTGSNTYEEAAAYIQC QFEDLNRRKDTKEIYTHFTC ATDTKNVQFVFDAVTDVIIK NNLKECGLY ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 ASP 4 ASP 5 HIS 6 ALA 7 LYS 8 GLU 9 VAL 10 LYS 11 LEU 12 LEU 13 LEU 14 LEU 15 GLY 16 ALA 17 GLY 18 GLU 19 SER 20 GLY 21 LYS 22 SER 23 THR 24 ILE 25 VAL 26 LYS 27 GLN 28 MET 29 LYS 30 ILE 31 ILE 32 HIS 33 GLU 34 ASP 35 GLY 36 TYR 37 SER 38 GLU 39 ASP 40 GLU 41 CYS 42 LYS 43 GLN 44 TYR 45 LYS 46 VAL 47 VAL 48 VAL 49 TYR 50 SER 51 ASN 52 THR 53 ILE 54 GLN 55 SER 56 ILE 57 ILE 58 ALA 59 ILE 60 ILE 61 ARG 62 ALA 63 MET 64 GLY 65 ARG 66 LEU 67 LYS 68 ILE 69 ASP 70 PHE 71 GLY 72 GLU 73 ALA 74 ALA 75 ARG 76 ALA 77 ASP 78 ASP 79 ALA 80 ARG 81 GLN 82 LEU 83 PHE 84 VAL 85 LEU 86 ALA 87 GLY 88 SER 89 ALA 90 GLU 91 GLU 92 GLY 93 VAL 94 MET 95 THR 96 PRO 97 GLU 98 LEU 99 ALA 100 GLY 101 VAL 102 ILE 103 LYS 104 ARG 105 LEU 106 TRP 107 ARG 108 ASP 109 GLY 110 GLY 111 VAL 112 GLN 113 ALA 114 CYS 115 PHE 116 SER 117 ARG 118 SER 119 ARG 120 GLU 121 TYR 122 GLN 123 LEU 124 ASN 125 ASP 126 SER 127 ALA 128 SER 129 TYR 130 TYR 131 LEU 132 ASN 133 ASP 134 LEU 135 ASP 136 ARG 137 ILE 138 SER 139 GLN 140 SER 141 ASN 142 TYR 143 ILE 144 PRO 145 THR 146 GLN 147 GLN 148 ASP 149 VAL 150 LEU 151 ARG 152 THR 153 ARG 154 VAL 155 LYS 156 THR 157 THR 158 GLY 159 ILE 160 VAL 161 GLU 162 THR 163 HIS 164 PHE 165 THR 166 PHE 167 LYS 168 ASP 169 LEU 170 TYR 171 PHE 172 LYS 173 MET 174 PHE 175 ASP 176 VAL 177 GLY 178 GLY 179 GLN 180 ARG 181 SER 182 GLU 183 ARG 184 LYS 185 LYS 186 TRP 187 ILE 188 HIS 189 CYS 190 PHE 191 GLU 192 GLY 193 VAL 194 THR 195 ALA 196 ILE 197 ILE 198 PHE 199 CYS 200 VAL 201 ALA 202 LEU 203 SER 204 ASP 205 TYR 206 ASP 207 LEU 208 VAL 209 LEU 210 ALA 211 GLU 212 ASP 213 GLU 214 GLU 215 MET 216 ASN 217 ARG 218 MET 219 HIS 220 GLU 221 SER 222 MET 223 LYS 224 LEU 225 PHE 226 ASP 227 SER 228 ILE 229 CYS 230 ASN 231 ASN 232 LYS 233 TRP 234 PHE 235 THR 236 GLU 237 THR 238 SER 239 ILE 240 ILE 241 LEU 242 PHE 243 LEU 244 ASN 245 LYS 246 LYS 247 ASP 248 LEU 249 PHE 250 GLU 251 GLU 252 LYS 253 ILE 254 LYS 255 ARG 256 SER 257 PRO 258 LEU 259 THR 260 ILE 261 CYS 262 TYR 263 PRO 264 GLU 265 TYR 266 THR 267 GLY 268 SER 269 ASN 270 THR 271 TYR 272 GLU 273 GLU 274 ALA 275 ALA 276 ALA 277 TYR 278 ILE 279 GLN 280 CYS 281 GLN 282 PHE 283 GLU 284 ASP 285 LEU 286 ASN 287 ARG 288 ARG 289 LYS 290 ASP 291 THR 292 LYS 293 GLU 294 ILE 295 TYR 296 THR 297 HIS 298 PHE 299 THR 300 CYS 301 ALA 302 THR 303 ASP 304 THR 305 LYS 306 ASN 307 VAL 308 GLN 309 PHE 310 VAL 311 PHE 312 ASP 313 ALA 314 VAL 315 THR 316 ASP 317 VAL 318 ILE 319 ILE 320 LYS 321 ASN 322 ASN 323 LEU 324 LYS 325 GLU 326 CYS 327 GLY 328 LEU 329 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_GDP _Saveframe_category ligand _Mol_type "non-polymer (RNA LINKING)" _Name_common GUANOSINE-5'-DIPHOSPHATE _BMRB_code GDP _PDB_code GDP _Molecular_mass 443.201 _Mol_charge 0 _Mol_paramagnetic . _Mol_aromatic yes _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons PB PB P . 0 . ? O1B O1B O . 0 . ? O2B O2B O . 0 . ? O3B O3B O . 0 . ? O3A O3A O . 0 . ? PA PA P . 0 . ? O1A O1A O . 0 . ? O2A O2A O . 0 . ? O5' O5' O . 0 . ? C5' C5' C . 0 . ? C4' C4' C . 0 . ? O4' O4' O . 0 . ? C3' C3' C . 0 . ? O3' O3' O . 0 . ? C2' C2' C . 0 . ? O2' O2' O . 0 . ? C1' C1' C . 0 . ? N9 N9 N . 0 . ? C8 C8 C . 0 . ? N7 N7 N . 0 . ? C5 C5 C . 0 . ? C6 C6 C . 0 . ? O6 O6 O . 0 . ? N1 N1 N . 0 . ? C2 C2 C . 0 . ? N2 N2 N . 0 . ? N3 N3 N . 0 . ? C4 C4 C . 0 . ? HOB2 HOB2 H . 0 . ? HOB3 HOB3 H . 0 . ? HOA2 HOA2 H . 0 . ? H5' H5' H . 0 . ? H5'' H5'' H . 0 . ? H4' H4' H . 0 . ? H3' H3' H . 0 . ? HO3' HO3' H . 0 . ? H2' H2' H . 0 . ? HO2' HO2' H . 0 . ? H1' H1' H . 0 . ? H8 H8 H . 0 . ? HN1 HN1 H . 0 . ? HN21 HN21 H . 0 . ? HN22 HN22 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name DOUB PB O1B ? ? SING PB O2B ? ? SING PB O3B ? ? SING PB O3A ? ? SING O2B HOB2 ? ? SING O3B HOB3 ? ? SING O3A PA ? ? DOUB PA O1A ? ? SING PA O2A ? ? SING PA O5' ? ? SING O2A HOA2 ? ? SING O5' C5' ? ? SING C5' C4' ? ? SING C5' H5' ? ? SING C5' H5'' ? ? SING C4' O4' ? ? SING C4' C3' ? ? SING C4' H4' ? ? SING O4' C1' ? ? SING C3' O3' ? ? SING C3' C2' ? ? SING C3' H3' ? ? SING O3' HO3' ? ? SING C2' O2' ? ? SING C2' C1' ? ? SING C2' H2' ? ? SING O2' HO2' ? ? SING C1' N9 ? ? SING C1' H1' ? ? SING N9 C8 ? ? SING N9 C4 ? ? DOUB C8 N7 ? ? SING C8 H8 ? ? SING N7 C5 ? ? SING C5 C6 ? ? DOUB C5 C4 ? ? DOUB C6 O6 ? ? SING C6 N1 ? ? SING N1 C2 ? ? SING N1 HN1 ? ? SING C2 N2 ? ? DOUB C2 N3 ? ? SING N2 HN21 ? ? SING N2 HN22 ? ? SING N3 C4 ? ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $G_protein_alphai3_subunit 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 $G_protein_alphai3_subunit 'recombinant technology' . Escherichia coli 'BL21 codon plus (DE3) RP' pET24d(+) 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 $G_protein_alphai3_subunit 0.3 mM '[U-13C; U-15N; U-2H]' HEPES 10 mM 'natural abundance' MgCl2 10 mM 'natural abundance' GDP 0.8 mM 'natural abundance' DSS 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' DTT 5 mM 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $deltaN-G_protein_alphai3_subunit 0.3 mM '[U-13C; U-15N; U-2H]' HEPES 10 mM 'natural abundance' MgCl2 10 mM 'natural abundance' GDP 0.8 mM 'natural abundance' DSS 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' DTT 5 mM 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $deltaN-G_protein_alphai3_subunit 0.3 mM '[U-13C; U-15N; 50%-2H]' HEPES 10 mM 'natural abundance' MgCl2 10 mM 'natural abundance' GDP 0.8 mM 'natural abundance' DSS 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' DTT 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version v2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version v1.8.4.2 loop_ _Vendor _Address _Electronic_address 'Rochus Keller' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_Rowland_NMR_Toolkit _Saveframe_category software _Name 'Rowland NMR Toolkit' _Version . loop_ _Vendor _Address _Electronic_address 'Jeffrey C. Hoch and Alan S. Stern' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details 'The cryo probe is equipped with this spectrometer' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_TROSY-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY-HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(COCA)CB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_15N-edited_NOESY-TROSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY-TROSY' _Sample_label $sample_1 save_ save_2D_1H-15N_TROSY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY-HSQC' _Sample_label $sample_2 save_ save_3D_HNCA_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_2 save_ save_3D_HN(CO)CA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_2 save_ save_3D_HNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_HN(COCA)CB_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_2 save_ save_3D_HNCO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_2D_1H-15N_TROSY-HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY-HSQC' _Sample_label $sample_3 save_ save_3D_HNCA_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HN(CO)CA_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_3 save_ save_3D_HNCACB_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HN(COCA)CB_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(COCA)CB' _Sample_label $sample_3 save_ save_3D_HNCO_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HN(CA)CO_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.0 . pH temperature 303 . 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 DSS C 13 'methyl protons' ppm -2.681 internal indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm -0.01352 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm -0.03534 internal indirect . . . 0.101329188 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 '2D 1H-15N TROSY-HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D HN(COCA)CB' '3D HNCO' '3D 15N-edited NOESY-TROSY' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'G protein alphai3 subunit' _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 -4 2 PRO C C 176.774 0.3 1 2 -4 2 PRO CA C 63.582 0.3 1 3 -3 3 ASP H H 8.355 0.007 1 4 -3 3 ASP C C 175.923 0.3 1 5 -3 3 ASP CA C 53.78 0.3 1 6 -3 3 ASP CB C 40.152 0.3 1 7 -3 3 ASP N N 119.172 0.23 1 8 -2 4 ASP H H 7.719 0.007 1 9 -2 4 ASP C C 175.971 0.3 1 10 -2 4 ASP CA C 54.144 0.3 1 11 -2 4 ASP CB C 40.289 0.3 1 12 -2 4 ASP N N 120.816 0.23 1 13 -1 5 HIS H H 8.113 0.007 1 14 -1 5 HIS C C 174.536 0.3 1 15 -1 5 HIS CA C 55.034 0.3 1 16 -1 5 HIS CB C 28.981 0.3 1 17 -1 5 HIS N N 119.445 0.23 1 18 1 6 MET H H 8.198 0.007 1 19 1 6 MET C C 176.886 0.3 1 20 1 6 MET N N 121.646 0.23 1 21 2 7 GLY H H 8.335 0.007 1 22 2 7 GLY C C 174.185 0.3 1 23 2 7 GLY CA C 46.345 0.3 1 24 2 7 GLY N N 110.855 0.23 1 25 3 8 CYS H H 8.104 0.007 1 26 3 8 CYS C C 174.949 0.3 1 27 3 8 CYS N N 119.823 0.23 1 28 4 9 THR H H 8.232 0.007 1 29 4 9 THR C C 174.289 0.3 1 30 4 9 THR CA C 61.557 0.3 1 31 4 9 THR CB C 68.462 0.3 1 32 4 9 THR N N 118.491 0.23 1 33 5 10 LEU H H 8.142 0.007 1 34 5 10 LEU C C 177.289 0.3 1 35 5 10 LEU CA C 54.753 0.3 1 36 5 10 LEU CB C 41.413 0.3 1 37 5 10 LEU N N 125.985 0.23 1 38 6 11 SER H H 8.544 0.007 1 39 6 11 SER C C 174.521 0.3 1 40 6 11 SER CA C 57.413 0.3 1 41 6 11 SER CB C 63.496 0.3 1 42 6 11 SER N N 118.875 0.23 1 43 7 12 ALA H H 8.468 0.007 1 44 7 12 ALA C C 179.031 0.3 1 45 7 12 ALA CA C 53.324 0.3 1 46 7 12 ALA CB C 17.769 0.3 1 47 7 12 ALA N N 126.332 0.23 1 48 8 13 GLU H H 8.377 0.007 1 49 8 13 GLU C C 177.354 0.3 1 50 8 13 GLU CA C 57.395 0.3 1 51 8 13 GLU CB C 28.664 0.3 1 52 8 13 GLU N N 120.054 0.23 1 53 9 14 ASP H H 8.03 0.007 1 54 9 14 ASP C C 177.435 0.3 1 55 9 14 ASP CA C 54.87 0.3 1 56 9 14 ASP CB C 40.067 0.3 1 57 9 14 ASP N N 122.758 0.23 1 58 10 15 LYS H H 8.193 0.007 1 59 10 15 LYS C C 177.728 0.3 1 60 10 15 LYS CA C 57.486 0.3 1 61 10 15 LYS CB C 31.444 0.3 1 62 10 15 LYS N N 122.741 0.23 1 63 11 16 ALA H H 7.975 0.007 1 64 11 16 ALA C C 178.972 0.3 1 65 11 16 ALA CA C 53.229 0.3 1 66 11 16 ALA CB C 17.524 0.3 1 67 11 16 ALA N N 123.347 0.23 1 68 12 17 ALA H H 7.802 0.007 1 69 12 17 ALA C C 179.481 0.3 1 70 12 17 ALA CA C 53.495 0.3 1 71 12 17 ALA CB C 17.545 0.3 1 72 12 17 ALA N N 122.767 0.23 1 73 13 18 VAL H H 7.795 0.007 1 74 13 18 VAL C C 177.866 0.3 1 75 13 18 VAL CA C 63.668 0.3 1 76 13 18 VAL CB C 31.28 0.3 1 77 13 18 VAL N N 120.063 0.23 1 78 14 19 GLU H H 8.089 0.007 1 79 14 19 GLU C C 178.05 0.3 1 80 14 19 GLU CA C 57.414 0.3 1 81 14 19 GLU CB C 28.836 0.3 1 82 14 19 GLU N N 122.999 0.23 1 83 15 20 ARG H H 8.07 0.007 1 84 15 20 ARG C C 177.657 0.3 1 85 15 20 ARG CA C 57.127 0.3 1 86 15 20 ARG CB C 29.081 0.3 1 87 15 20 ARG N N 121.532 0.23 1 88 16 21 SER H H 7.998 0.007 1 89 16 21 SER C C 175.104 0.3 1 90 16 21 SER CA C 59.36 0.3 1 91 16 21 SER CB C 62.51 0.3 1 92 16 21 SER N N 116.368 0.23 1 93 17 22 LYS H H 7.856 0.007 1 94 17 22 LYS C C 177.006 0.3 1 95 17 22 LYS CA C 56.431 0.3 1 96 17 22 LYS CB C 31.412 0.3 1 97 17 22 LYS N N 122.574 0.23 1 98 18 23 MET H H 7.911 0.007 1 99 18 23 MET C C 176.421 0.3 1 100 18 23 MET CA C 55.524 0.3 1 101 18 23 MET CB C 31.572 0.3 1 102 18 23 MET N N 120.968 0.23 1 103 19 24 ILE H H 7.844 0.007 1 104 19 24 ILE C C 176.123 0.3 1 105 19 24 ILE CA C 61.189 0.3 1 106 19 24 ILE CB C 37.563 0.3 1 107 19 24 ILE N N 122.053 0.23 1 108 20 25 ASP H H 8.164 0.007 1 109 20 25 ASP C C 176.613 0.3 1 110 20 25 ASP CA C 54.138 0.3 1 111 20 25 ASP CB C 40.448 0.3 1 112 20 25 ASP N N 124.525 0.23 1 113 21 26 ARG H H 8.128 0.007 1 114 21 26 ARG C C 176.437 0.3 1 115 21 26 ARG CA C 56.096 0.3 1 116 21 26 ARG CB C 29.095 0.3 1 117 21 26 ARG N N 122.575 0.23 1 118 22 27 ASN H H 8.37 0.007 1 119 22 27 ASN C C 175.3 0.3 1 120 22 27 ASN CA C 53.284 0.3 1 121 22 27 ASN CB C 37.876 0.3 1 122 22 27 ASN N N 119.692 0.23 1 123 23 28 LEU H H 7.921 0.007 1 124 23 28 LEU C C 177.51 0.3 1 125 23 28 LEU CA C 55.054 0.3 1 126 23 28 LEU CB C 40.836 0.3 1 127 23 28 LEU N N 122.816 0.23 1 128 24 29 ARG H H 8.084 0.007 1 129 24 29 ARG C C 176.65 0.3 1 130 24 29 ARG CA C 55.757 0.3 1 131 24 29 ARG CB C 29.269 0.3 1 132 24 29 ARG N N 122.042 0.23 1 133 25 30 GLU H H 8.36 0.007 1 134 25 30 GLU C C 176.497 0.3 1 135 25 30 GLU CA C 56.29 0.3 1 136 25 30 GLU CB C 29.006 0.3 1 137 25 30 GLU N N 122.89 0.23 1 138 26 31 ASP H H 8.229 0.007 1 139 26 31 ASP C C 176.871 0.3 1 140 26 31 ASP CA C 54.194 0.3 1 141 26 31 ASP CB C 40.131 0.3 1 142 26 31 ASP N N 121.655 0.23 1 143 27 32 GLY H H 8.143 0.007 1 144 27 32 GLY C C 174.378 0.3 1 145 27 32 GLY CA C 45.039 0.3 1 146 27 32 GLY N N 109.871 0.23 1 147 28 33 GLU H H 8.087 0.007 1 148 28 33 GLU C C 176.628 0.3 1 149 28 33 GLU CA C 56.076 0.3 1 150 28 33 GLU CB C 29.106 0.3 1 151 28 33 GLU N N 121.641 0.23 1 152 29 34 LYS H H 8.115 0.007 1 153 29 34 LYS C C 176.335 0.3 1 154 29 34 LYS CA C 55.91 0.3 1 155 29 34 LYS CB C 31.794 0.3 1 156 29 34 LYS N N 122.779 0.23 1 157 30 35 ALA H H 8.043 0.007 1 158 30 35 ALA C C 177.354 0.3 1 159 30 35 ALA CA C 51.934 0.3 1 160 30 35 ALA CB C 18.331 0.3 1 161 30 35 ALA N N 125.763 0.23 1 162 31 36 ALA H H 8.013 0.007 1 163 31 36 ALA C C 177.61 0.3 1 164 31 36 ALA CA C 52.034 0.3 1 165 31 36 ALA CB C 18.186 0.3 1 166 31 36 ALA N N 124.13 0.23 1 167 32 37 LYS H H 8.045 0.007 1 168 32 37 LYS C C 174.893 0.3 1 169 32 37 LYS CA C 55.432 0.3 1 170 32 37 LYS CB C 31.724 0.3 1 171 32 37 LYS N N 121.367 0.23 1 172 33 38 GLU H H 7.951 0.007 1 173 33 38 GLU C C 175.382 0.3 1 174 33 38 GLU CA C 54.946 0.3 1 175 33 38 GLU CB C 30.789 0.3 1 176 33 38 GLU N N 123.05 0.23 1 177 34 39 VAL H H 8.73 0.007 1 178 34 39 VAL C C 173.713 0.3 1 179 34 39 VAL CA C 60.414 0.3 1 180 34 39 VAL CB C 32.96 0.3 1 181 34 39 VAL N N 124.975 0.23 1 182 35 40 LYS H H 8.5 0.007 1 183 35 40 LYS C C 174.942 0.3 1 184 35 40 LYS CA C 55.273 0.3 1 185 35 40 LYS CB C 33.15 0.3 1 186 35 40 LYS N N 127.096 0.23 1 187 36 41 LEU H H 9.331 0.007 1 188 36 41 LEU C C 174.609 0.3 1 189 36 41 LEU CA C 52.701 0.3 1 190 36 41 LEU CB C 45.428 0.3 1 191 36 41 LEU N N 129.032 0.23 1 192 37 42 LEU H H 8.738 0.007 1 193 37 42 LEU C C 174.453 0.3 1 194 37 42 LEU CA C 53.554 0.3 1 195 37 42 LEU N N 127.628 0.23 1 196 39 44 LEU C C 172.18 0.3 1 197 40 45 GLY H H 7.49 0.007 1 198 40 45 GLY C C 173.505 0.3 1 199 40 45 GLY CA C 43.231 0.3 1 200 40 45 GLY N N 106.458 0.23 1 201 41 46 ALA H H 9.521 0.007 1 202 41 46 ALA C C 178.563 0.3 1 203 41 46 ALA CA C 51.478 0.3 1 204 41 46 ALA CB C 18.285 0.3 1 205 41 46 ALA N N 125.531 0.23 1 206 42 47 GLY H H 8.816 0.007 1 207 42 47 GLY CA C 46.647 0.3 1 208 42 47 GLY N N 111.201 0.23 1 209 43 48 GLU C C 175.086 0.3 1 210 43 48 GLU CA C 57.517 0.3 1 211 43 48 GLU CB C 25.383 0.3 1 212 44 49 SER H H 8.018 0.007 1 213 44 49 SER C C 174.295 0.3 1 214 44 49 SER CA C 60.408 0.3 1 215 44 49 SER CB C 63.192 0.3 1 216 44 49 SER N N 115.781 0.23 1 217 45 50 GLY H H 8.291 0.007 1 218 45 50 GLY C C 173.674 0.3 1 219 45 50 GLY CA C 45.185 0.3 1 220 45 50 GLY N N 109.69 0.23 1 221 46 51 LYS H H 8.486 0.007 1 222 46 51 LYS CA C 58.652 0.3 1 223 46 51 LYS N N 121.422 0.23 1 224 47 52 SER H H 8.726 0.007 1 225 47 52 SER CA C 56.568 0.3 1 226 47 52 SER CB C 60.121 0.3 1 227 47 52 SER N N 121.996 0.23 1 228 51 56 LYS C C 178.732 0.3 1 229 51 56 LYS CA C 58.724 0.3 1 230 52 57 GLN H H 7.556 0.007 1 231 52 57 GLN C C 178.551 0.3 1 232 52 57 GLN CA C 57.775 0.3 1 233 52 57 GLN CB C 26.208 0.3 1 234 52 57 GLN N N 115.954 0.23 1 235 53 58 MET H H 7.692 0.007 1 236 53 58 MET C C 178.439 0.3 1 237 53 58 MET CA C 56.031 0.3 1 238 53 58 MET CB C 31.385 0.3 1 239 53 58 MET N N 118.12 0.23 1 240 54 59 LYS H H 6.973 0.007 1 241 54 59 LYS C C 179.327 0.3 1 242 54 59 LYS CA C 58.403 0.3 1 243 54 59 LYS N N 121.475 0.23 1 244 55 60 ILE C C 176.958 0.3 1 245 55 60 ILE CA C 64.847 0.3 1 246 55 60 ILE CB C 37.429 0.3 1 247 56 61 ILE H H 8.396 0.007 1 248 56 61 ILE C C 177.708 0.3 1 249 56 61 ILE CA C 63.93 0.3 1 250 56 61 ILE CB C 38.509 0.3 1 251 56 61 ILE N N 118.112 0.23 1 252 57 62 HIS H H 7.624 0.007 1 253 57 62 HIS C C 176.626 0.3 1 254 57 62 HIS CA C 55.986 0.3 1 255 57 62 HIS CB C 31.234 0.3 1 256 57 62 HIS N N 114.89 0.23 1 257 58 63 GLU H H 6.926 0.007 1 258 58 63 GLU C C 175.262 0.3 1 259 58 63 GLU CA C 54.644 0.3 1 260 58 63 GLU CB C 29.039 0.3 1 261 58 63 GLU N N 120.12 0.23 1 262 59 64 ASP H H 8.199 0.007 1 263 59 64 ASP C C 176.354 0.3 1 264 59 64 ASP CA C 54.486 0.3 1 265 59 64 ASP CB C 39.505 0.3 1 266 59 64 ASP N N 118.743 0.23 1 267 60 65 GLY H H 7.794 0.007 1 268 60 65 GLY C C 171.696 0.3 1 269 60 65 GLY CA C 44.975 0.3 1 270 60 65 GLY N N 106.83 0.23 1 271 61 66 TYR H H 8.376 0.007 1 272 61 66 TYR C C 176.559 0.3 1 273 61 66 TYR CA C 58.198 0.3 1 274 61 66 TYR CB C 38.659 0.3 1 275 61 66 TYR N N 119.206 0.23 1 276 62 67 SER H H 9.185 0.007 1 277 62 67 SER C C 175.256 0.3 1 278 62 67 SER CA C 56.956 0.3 1 279 62 67 SER CB C 64.63 0.3 1 280 62 67 SER N N 122.237 0.23 1 281 63 68 GLU H H 9.054 0.007 1 282 63 68 GLU C C 178.365 0.3 1 283 63 68 GLU CA C 60.684 0.3 1 284 63 68 GLU CB C 28.922 0.3 1 285 63 68 GLU N N 124.217 0.23 1 286 64 69 ASP H H 8.285 0.007 1 287 64 69 ASP C C 179.239 0.3 1 288 64 69 ASP CA C 57.457 0.3 1 289 64 69 ASP CB C 40.087 0.3 1 290 64 69 ASP N N 117.572 0.23 1 291 65 70 GLU H H 7.671 0.007 1 292 65 70 GLU C C 180.109 0.3 1 293 65 70 GLU CA C 58.894 0.3 1 294 65 70 GLU CB C 29.556 0.3 1 295 65 70 GLU N N 121.119 0.23 1 296 66 71 CYS H H 8.653 0.007 1 297 66 71 CYS C C 178.303 0.3 1 298 66 71 CYS CA C 64.856 0.3 1 299 66 71 CYS CB C 26.287 0.3 1 300 66 71 CYS N N 119.294 0.23 1 301 67 72 LYS H H 8.227 0.007 1 302 67 72 LYS C C 179.57 0.3 1 303 67 72 LYS CA C 60.552 0.3 1 304 67 72 LYS CB C 31.527 0.3 1 305 67 72 LYS N N 119.394 0.23 1 306 68 73 GLN H H 7.45 0.007 1 307 68 73 GLN C C 177.09 0.3 1 308 68 73 GLN CA C 57.281 0.3 1 309 68 73 GLN CB C 27.075 0.3 1 310 68 73 GLN N N 118.229 0.23 1 311 69 74 TYR H H 7.741 0.007 1 312 69 74 TYR C C 176.576 0.3 1 313 69 74 TYR CA C 59.777 0.3 1 314 69 74 TYR CB C 38.092 0.3 1 315 69 74 TYR N N 115.879 0.23 1 316 70 75 LYS H H 7.607 0.007 1 317 70 75 LYS C C 176.607 0.3 1 318 70 75 LYS CA C 61.333 0.3 1 319 70 75 LYS CB C 30.818 0.3 1 320 70 75 LYS N N 125.704 0.23 1 321 71 76 VAL H H 7.752 0.007 1 322 71 76 VAL C C 177.177 0.3 1 323 71 76 VAL CA C 64.686 0.3 1 324 71 76 VAL CB C 30.523 0.3 1 325 71 76 VAL N N 113.19 0.23 1 326 72 77 VAL H H 6.639 0.007 1 327 72 77 VAL CA C 64.973 0.3 1 328 72 77 VAL CB C 30.811 0.3 1 329 72 77 VAL N N 122.431 0.23 1 330 73 78 VAL C C 180.313 0.3 1 331 73 78 VAL CA C 66.609 0.3 1 332 73 78 VAL CB C 30.489 0.3 1 333 74 79 TYR H H 8.295 0.007 1 334 74 79 TYR C C 177.655 0.3 1 335 74 79 TYR CA C 58.109 0.3 1 336 74 79 TYR CB C 34.279 0.3 1 337 74 79 TYR N N 120.827 0.23 1 338 75 80 SER H H 8.455 0.007 1 339 75 80 SER C C 177.418 0.3 1 340 75 80 SER CA C 61.555 0.3 1 341 75 80 SER CB C 61.937 0.3 1 342 75 80 SER N N 116.775 0.23 1 343 76 81 ASN H H 9.129 0.007 1 344 76 81 ASN C C 178.324 0.3 1 345 76 81 ASN CA C 55.86 0.3 1 346 76 81 ASN CB C 38.253 0.3 1 347 76 81 ASN N N 119.287 0.23 1 348 77 82 THR H H 8.062 0.007 1 349 77 82 THR N N 120.937 0.23 1 350 78 83 ILE C C 177.523 0.3 1 351 78 83 ILE CA C 64.749 0.3 1 352 78 83 ILE CB C 36.937 0.3 1 353 79 84 GLN H H 8.64 0.007 1 354 79 84 GLN C C 179.775 0.3 1 355 79 84 GLN CA C 58.426 0.3 1 356 79 84 GLN CB C 26.945 0.3 1 357 79 84 GLN N N 117.625 0.23 1 358 80 85 SER H H 7.649 0.007 1 359 80 85 SER CA C 62.592 0.3 1 360 80 85 SER CB C 66.224 0.3 1 361 80 85 SER N N 116.435 0.23 1 362 81 86 ILE C C 176.745 0.3 1 363 82 87 ILE H H 8.074 0.007 1 364 82 87 ILE C C 177.076 0.3 1 365 82 87 ILE CA C 66.805 0.3 1 366 82 87 ILE CB C 36.333 0.3 1 367 82 87 ILE N N 125.03 0.23 1 368 83 88 ALA H H 7.903 0.007 1 369 83 88 ALA C C 181.045 0.3 1 370 83 88 ALA CA C 55.03 0.3 1 371 83 88 ALA CB C 17.293 0.3 1 372 83 88 ALA N N 121.936 0.23 1 373 84 89 ILE H H 7.624 0.007 1 374 84 89 ILE CA C 65.191 0.3 1 375 84 89 ILE CB C 38.49 0.3 1 376 84 89 ILE N N 118.978 0.23 1 377 85 90 ILE H H 8.174 0.007 1 378 85 90 ILE C C 180.362 0.3 1 379 85 90 ILE CA C 62.699 0.3 1 380 85 90 ILE N N 119.465 0.23 1 381 86 91 ARG H H 9.067 0.007 1 382 86 91 ARG C C 179.549 0.3 1 383 86 91 ARG CA C 59.241 0.3 1 384 86 91 ARG CB C 28.903 0.3 1 385 86 91 ARG N N 120.986 0.23 1 386 87 92 ALA H H 7.526 0.007 1 387 87 92 ALA C C 178.552 0.3 1 388 87 92 ALA CA C 54.109 0.3 1 389 87 92 ALA CB C 15.656 0.3 1 390 87 92 ALA N N 123.091 0.23 1 391 88 93 MET H H 7.668 0.007 1 392 88 93 MET C C 178.864 0.3 1 393 88 93 MET CA C 59.833 0.3 1 394 88 93 MET N N 119.235 0.23 1 395 89 94 GLY H H 7.341 0.007 1 396 89 94 GLY C C 176.228 0.3 1 397 89 94 GLY CA C 46.076 0.3 1 398 89 94 GLY N N 104.522 0.23 1 399 90 95 ARG H H 7.149 0.007 1 400 90 95 ARG C C 177.979 0.3 1 401 90 95 ARG CA C 58.063 0.3 1 402 90 95 ARG CB C 29.475 0.3 1 403 90 95 ARG N N 122.89 0.23 1 404 91 96 LEU H H 8.293 0.007 1 405 91 96 LEU C C 175.892 0.3 1 406 91 96 LEU CA C 55.076 0.3 1 407 91 96 LEU CB C 40.265 0.3 1 408 91 96 LEU N N 118.466 0.23 1 409 92 97 LYS H H 7.422 0.007 1 410 92 97 LYS C C 175.025 0.3 1 411 92 97 LYS CA C 56.475 0.3 1 412 92 97 LYS CB C 27.041 0.3 1 413 92 97 LYS N N 117.114 0.23 1 414 93 98 ILE H H 8.013 0.007 1 415 93 98 ILE C C 174.861 0.3 1 416 93 98 ILE CA C 60.215 0.3 1 417 93 98 ILE CB C 39.58 0.3 1 418 93 98 ILE N N 122.592 0.23 1 419 94 99 ASP H H 8.139 0.007 1 420 94 99 ASP C C 177.231 0.3 1 421 94 99 ASP CA C 52.779 0.3 1 422 94 99 ASP CB C 41.843 0.3 1 423 94 99 ASP N N 126.949 0.23 1 424 95 100 PHE H H 7.985 0.007 1 425 95 100 PHE C C 177.304 0.3 1 426 95 100 PHE CA C 59.477 0.3 1 427 95 100 PHE CB C 39.402 0.3 1 428 95 100 PHE N N 117.868 0.23 1 429 96 101 GLY H H 11.418 0.007 1 430 96 101 GLY C C 174.91 0.3 1 431 96 101 GLY CA C 45.859 0.3 1 432 96 101 GLY N N 116.958 0.23 1 433 97 102 GLU H H 7.652 0.007 1 434 97 102 GLU C C 176.347 0.3 1 435 97 102 GLU CA C 54.369 0.3 1 436 97 102 GLU CB C 31.664 0.3 1 437 97 102 GLU N N 119.08 0.23 1 438 98 103 ALA H H 8.606 0.007 1 439 98 103 ALA C C 180.476 0.3 1 440 98 103 ALA CA C 54.81 0.3 1 441 98 103 ALA CB C 17.29 0.3 1 442 98 103 ALA N N 128.908 0.23 1 443 99 104 ALA H H 8.584 0.007 1 444 99 104 ALA C C 179.467 0.3 1 445 99 104 ALA CA C 53.802 0.3 1 446 99 104 ALA CB C 17.647 0.3 1 447 99 104 ALA N N 120.769 0.23 1 448 100 105 ARG H H 7.911 0.007 1 449 100 105 ARG C C 177.564 0.3 1 450 100 105 ARG CA C 56.836 0.3 1 451 100 105 ARG CB C 30.764 0.3 1 452 100 105 ARG N N 115.067 0.23 1 453 101 106 ALA H H 7.56 0.007 1 454 101 106 ALA C C 180.768 0.3 1 455 101 106 ALA CA C 54.816 0.3 1 456 101 106 ALA CB C 16.629 0.3 1 457 101 106 ALA N N 122.145 0.23 1 458 102 107 ASP H H 7.266 0.007 1 459 102 107 ASP C C 178.683 0.3 1 460 102 107 ASP CA C 56.764 0.3 1 461 102 107 ASP CB C 39.951 0.3 1 462 102 107 ASP N N 118.634 0.23 1 463 103 108 ASP H H 6.711 0.007 1 464 103 108 ASP C C 177.063 0.3 1 465 103 108 ASP CA C 57.291 0.3 1 466 103 108 ASP CB C 39.644 0.3 1 467 103 108 ASP N N 120.45 0.23 1 468 104 109 ALA H H 8.202 0.007 1 469 104 109 ALA C C 177.7 0.3 1 470 104 109 ALA CA C 54.782 0.3 1 471 104 109 ALA CB C 17.274 0.3 1 472 104 109 ALA N N 123.152 0.23 1 473 105 110 ARG H H 7.315 0.007 1 474 105 110 ARG C C 179.837 0.3 1 475 105 110 ARG CA C 59.358 0.3 1 476 105 110 ARG CB C 29.099 0.3 1 477 105 110 ARG N N 116.61 0.23 1 478 106 111 GLN H H 7.797 0.007 1 479 106 111 GLN C C 177.777 0.3 1 480 106 111 GLN CA C 57.708 0.3 1 481 106 111 GLN CB C 27.994 0.3 1 482 106 111 GLN N N 119.181 0.23 1 483 107 112 LEU H H 8.366 0.007 1 484 107 112 LEU C C 177.14 0.3 1 485 107 112 LEU CA C 57.798 0.3 1 486 107 112 LEU CB C 39.873 0.3 1 487 107 112 LEU N N 121.785 0.23 1 488 108 113 PHE H H 7.081 0.007 1 489 108 113 PHE C C 179.207 0.3 1 490 108 113 PHE CA C 60.81 0.3 1 491 108 113 PHE CB C 37.354 0.3 1 492 108 113 PHE N N 114.061 0.23 1 493 109 114 VAL H H 7.501 0.007 1 494 109 114 VAL C C 178.898 0.3 1 495 109 114 VAL CA C 65.299 0.3 1 496 109 114 VAL CB C 31.096 0.3 1 497 109 114 VAL N N 120.999 0.23 1 498 110 115 LEU H H 8.553 0.007 1 499 110 115 LEU C C 179.735 0.3 1 500 110 115 LEU CA C 56.097 0.3 1 501 110 115 LEU CB C 42.255 0.3 1 502 110 115 LEU N N 120.156 0.23 1 503 111 116 ALA H H 8.248 0.007 1 504 111 116 ALA C C 179.286 0.3 1 505 111 116 ALA CA C 54.471 0.3 1 506 111 116 ALA CB C 17.648 0.3 1 507 111 116 ALA N N 122.108 0.23 1 508 112 117 GLY H H 7.888 0.007 1 509 112 117 GLY C C 175.336 0.3 1 510 112 117 GLY CA C 45.771 0.3 1 511 112 117 GLY N N 105.044 0.23 1 512 113 118 SER H H 7.771 0.007 1 513 113 118 SER C C 174.856 0.3 1 514 113 118 SER CA C 58.724 0.3 1 515 113 118 SER CB C 63.229 0.3 1 516 113 118 SER N N 115.935 0.23 1 517 114 119 ALA H H 7.545 0.007 1 518 114 119 ALA C C 178.381 0.3 1 519 114 119 ALA CA C 52.39 0.3 1 520 114 119 ALA CB C 18.112 0.3 1 521 114 119 ALA N N 125.79 0.23 1 522 115 120 GLU H H 8.032 0.007 1 523 115 120 GLU C C 176.747 0.3 1 524 115 120 GLU CA C 56.797 0.3 1 525 115 120 GLU CB C 28.989 0.3 1 526 115 120 GLU N N 120.34 0.23 1 527 116 121 GLU H H 8.064 0.007 1 528 116 121 GLU C C 177.411 0.3 1 529 116 121 GLU CA C 56.448 0.3 1 530 116 121 GLU CB C 28.93 0.3 1 531 116 121 GLU N N 120.206 0.23 1 532 117 122 GLY H H 8.624 0.007 1 533 117 122 GLY C C 172.454 0.3 1 534 117 122 GLY CA C 45.835 0.3 1 535 117 122 GLY N N 109.58 0.23 1 536 118 123 VAL H H 7.532 0.007 1 537 118 123 VAL C C 174.309 0.3 1 538 118 123 VAL CA C 61.135 0.3 1 539 118 123 VAL CB C 33.386 0.3 1 540 118 123 VAL N N 119.89 0.23 1 541 119 124 MET H H 8.183 0.007 1 542 119 124 MET C C 174.547 0.3 1 543 119 124 MET CA C 52.991 0.3 1 544 119 124 MET CB C 30.966 0.3 1 545 119 124 MET N N 127.164 0.23 1 546 120 125 THR H H 7.757 0.007 1 547 120 125 THR C C 173.136 0.3 1 548 120 125 THR CA C 58.903 0.3 1 549 120 125 THR CB C 68.076 0.3 1 550 120 125 THR N N 119.181 0.23 1 551 121 126 PRO C C 180.128 0.3 1 552 121 126 PRO CA C 64.935 0.3 1 553 121 126 PRO CB C 30.433 0.3 1 554 122 127 GLU H H 8.416 0.007 1 555 122 127 GLU C C 178.988 0.3 1 556 122 127 GLU CA C 59.418 0.3 1 557 122 127 GLU CB C 28.196 0.3 1 558 122 127 GLU N N 118.951 0.23 1 559 123 128 LEU H H 7.616 0.007 1 560 123 128 LEU C C 177.606 0.3 1 561 123 128 LEU CA C 56.949 0.3 1 562 123 128 LEU CB C 39.668 0.3 1 563 123 128 LEU N N 122.808 0.23 1 564 124 129 ALA H H 8.452 0.007 1 565 124 129 ALA C C 179.542 0.3 1 566 124 129 ALA CA C 55.161 0.3 1 567 124 129 ALA CB C 16.769 0.3 1 568 124 129 ALA N N 121.564 0.23 1 569 125 130 GLY H H 7.898 0.007 1 570 125 130 GLY C C 175.374 0.3 1 571 125 130 GLY CA C 46.904 0.3 1 572 125 130 GLY N N 104.447 0.23 1 573 126 131 VAL H H 7.313 0.007 1 574 126 131 VAL C C 177.351 0.3 1 575 126 131 VAL CA C 66.059 0.3 1 576 126 131 VAL CB C 31.063 0.3 1 577 126 131 VAL N N 122.163 0.23 1 578 127 132 ILE H H 8.017 0.007 1 579 127 132 ILE C C 177.063 0.3 1 580 127 132 ILE CA C 66.429 0.3 1 581 127 132 ILE CB C 36.439 0.3 1 582 127 132 ILE N N 118.679 0.23 1 583 128 133 LYS H H 8.358 0.007 1 584 128 133 LYS C C 179.155 0.3 1 585 128 133 LYS CA C 59.847 0.3 1 586 128 133 LYS CB C 31.727 0.3 1 587 128 133 LYS N N 120.453 0.23 1 588 129 134 ARG H H 7.831 0.007 1 589 129 134 ARG C C 180.271 0.3 1 590 129 134 ARG CA C 60.196 0.3 1 591 129 134 ARG CB C 30.447 0.3 1 592 129 134 ARG N N 116.496 0.23 1 593 130 135 LEU H H 7.955 0.007 1 594 130 135 LEU C C 177.711 0.3 1 595 130 135 LEU CA C 58.101 0.3 1 596 130 135 LEU CB C 41.436 0.3 1 597 130 135 LEU N N 118.679 0.23 1 598 131 136 TRP H H 8.901 0.007 1 599 131 136 TRP C C 175.696 0.3 1 600 131 136 TRP CA C 57.876 0.3 1 601 131 136 TRP CB C 29.889 0.3 1 602 131 136 TRP N N 118.279 0.23 1 603 132 137 ARG H H 7.166 0.007 1 604 132 137 ARG C C 176.332 0.3 1 605 132 137 ARG CA C 54.963 0.3 1 606 132 137 ARG CB C 29.403 0.3 1 607 132 137 ARG N N 113.147 0.23 1 608 133 138 ASP H H 7.643 0.007 1 609 133 138 ASP C C 177.085 0.3 1 610 133 138 ASP CA C 54.954 0.3 1 611 133 138 ASP CB C 43.865 0.3 1 612 133 138 ASP N N 123.59 0.23 1 613 134 139 GLY H H 9.011 0.007 1 614 134 139 GLY C C 177.1 0.3 1 615 134 139 GLY CA C 47.147 0.3 1 616 134 139 GLY N N 112.714 0.23 1 617 135 140 GLY H H 8.61 0.007 1 618 135 140 GLY C C 175.489 0.3 1 619 135 140 GLY CA C 46.155 0.3 1 620 135 140 GLY N N 114.137 0.23 1 621 136 141 VAL H H 7.723 0.007 1 622 136 141 VAL C C 179.701 0.3 1 623 136 141 VAL CA C 65.848 0.3 1 624 136 141 VAL CB C 30.021 0.3 1 625 136 141 VAL N N 126.754 0.23 1 626 137 142 GLN H H 8.372 0.007 1 627 137 142 GLN C C 179.069 0.3 1 628 137 142 GLN CA C 57.961 0.3 1 629 137 142 GLN CB C 27.226 0.3 1 630 137 142 GLN N N 118.052 0.23 1 631 138 143 ALA H H 7.964 0.007 1 632 138 143 ALA C C 180.724 0.3 1 633 138 143 ALA CA C 54.772 0.3 1 634 138 143 ALA CB C 16.419 0.3 1 635 138 143 ALA N N 125.647 0.23 1 636 139 144 CYS H H 8.285 0.007 1 637 139 144 CYS C C 180.278 0.3 1 638 139 144 CYS CA C 60.43 0.3 1 639 139 144 CYS CB C 25.679 0.3 1 640 139 144 CYS N N 120.305 0.23 1 641 140 145 PHE H H 9.425 0.007 1 642 140 145 PHE C C 177.439 0.3 1 643 140 145 PHE CA C 60.997 0.3 1 644 140 145 PHE CB C 38.033 0.3 1 645 140 145 PHE N N 127.226 0.23 1 646 141 146 SER H H 8.132 0.007 1 647 141 146 SER C C 174.89 0.3 1 648 141 146 SER CA C 60.72 0.3 1 649 141 146 SER CB C 62.494 0.3 1 650 141 146 SER N N 115.672 0.23 1 651 142 147 ARG H H 7.247 0.007 1 652 142 147 ARG C C 175.489 0.3 1 653 142 147 ARG CA C 55.472 0.3 1 654 142 147 ARG CB C 28.786 0.3 1 655 142 147 ARG N N 123.036 0.23 1 656 143 148 SER H H 6.975 0.007 1 657 143 148 SER C C 174.641 0.3 1 658 143 148 SER CA C 61.041 0.3 1 659 143 148 SER CB C 62.127 0.3 1 660 143 148 SER N N 114.779 0.23 1 661 144 149 ARG H H 7.994 0.007 1 662 144 149 ARG C C 177.35 0.3 1 663 144 149 ARG CA C 57.464 0.3 1 664 144 149 ARG CB C 27.449 0.3 1 665 144 149 ARG N N 120.704 0.23 1 666 145 150 GLU H H 8.359 0.007 1 667 145 150 GLU C C 175.202 0.3 1 668 145 150 GLU CA C 56.803 0.3 1 669 145 150 GLU CB C 29.195 0.3 1 670 145 150 GLU N N 119.766 0.23 1 671 146 151 TYR H H 7.484 0.007 1 672 146 151 TYR C C 171.93 0.3 1 673 146 151 TYR CA C 55.858 0.3 1 674 146 151 TYR CB C 35.393 0.3 1 675 146 151 TYR N N 119.358 0.23 1 676 147 152 GLN H H 7.844 0.007 1 677 147 152 GLN C C 174.808 0.3 1 678 147 152 GLN CA C 54.597 0.3 1 679 147 152 GLN CB C 27.467 0.3 1 680 147 152 GLN N N 117.012 0.23 1 681 148 153 LEU H H 8.057 0.007 1 682 148 153 LEU C C 175.579 0.3 1 683 148 153 LEU CA C 53.468 0.3 1 684 148 153 LEU CB C 43.722 0.3 1 685 148 153 LEU N N 127.324 0.23 1 686 149 154 ASN H H 8.661 0.007 1 687 149 154 ASN C C 176.24 0.3 1 688 149 154 ASN CA C 53.956 0.3 1 689 149 154 ASN CB C 37.313 0.3 1 690 149 154 ASN N N 126.875 0.23 1 691 150 155 ASP H H 8.454 0.007 1 692 150 155 ASP C C 178.292 0.3 1 693 150 155 ASP CA C 57.39 0.3 1 694 150 155 ASP CB C 40.703 0.3 1 695 150 155 ASP N N 124.158 0.23 1 696 151 156 SER H H 8.61 0.007 1 697 151 156 SER C C 173.209 0.3 1 698 151 156 SER CA C 57.641 0.3 1 699 151 156 SER CB C 62.671 0.3 1 700 151 156 SER N N 114.939 0.23 1 701 152 157 ALA H H 7.646 0.007 1 702 152 157 ALA C C 178.376 0.3 1 703 152 157 ALA CA C 56.086 0.3 1 704 152 157 ALA CB C 17.794 0.3 1 705 152 157 ALA N N 123.434 0.23 1 706 153 158 SER H H 8.689 0.007 1 707 153 158 SER C C 175.024 0.3 1 708 153 158 SER CA C 60.665 0.3 1 709 153 158 SER CB C 61.9 0.3 1 710 153 158 SER N N 110.407 0.23 1 711 154 159 TYR H H 7.287 0.007 1 712 154 159 TYR C C 177.275 0.3 1 713 154 159 TYR CA C 60.833 0.3 1 714 154 159 TYR CB C 36.236 0.3 1 715 154 159 TYR N N 124.45 0.23 1 716 155 160 TYR H H 7.167 0.007 1 717 155 160 TYR C C 178.349 0.3 1 718 155 160 TYR CA C 59.626 0.3 1 719 155 160 TYR CB C 38.006 0.3 1 720 155 160 TYR N N 116.7 0.23 1 721 156 161 LEU H H 7.956 0.007 1 722 156 161 LEU C C 179.371 0.3 1 723 156 161 LEU CA C 57.485 0.3 1 724 156 161 LEU CB C 37.46 0.3 1 725 156 161 LEU N N 117.282 0.23 1 726 157 162 ASN H H 8.077 0.007 1 727 157 162 ASN C C 175.959 0.3 1 728 157 162 ASN CA C 54.171 0.3 1 729 157 162 ASN CB C 36.989 0.3 1 730 157 162 ASN N N 115.36 0.23 1 731 158 163 ASP H H 7.07 0.007 1 732 158 163 ASP C C 176.66 0.3 1 733 158 163 ASP CA C 51.881 0.3 1 734 158 163 ASP CB C 39.652 0.3 1 735 158 163 ASP N N 123.373 0.23 1 736 159 164 LEU H H 6.602 0.007 1 737 159 164 LEU C C 179.069 0.3 1 738 159 164 LEU CA C 57.151 0.3 1 739 159 164 LEU CB C 41.565 0.3 1 740 159 164 LEU N N 120.824 0.23 1 741 160 165 ASP H H 8.594 0.007 1 742 160 165 ASP C C 177.297 0.3 1 743 160 165 ASP CA C 57.613 0.3 1 744 160 165 ASP CB C 39.138 0.3 1 745 160 165 ASP N N 119.65 0.23 1 746 161 166 ARG H H 7.503 0.007 1 747 161 166 ARG C C 178.833 0.3 1 748 161 166 ARG CA C 58.724 0.3 1 749 161 166 ARG CB C 30.23 0.3 1 750 161 166 ARG N N 120.999 0.23 1 751 162 167 ILE H H 7.365 0.007 1 752 162 167 ILE C C 175.374 0.3 1 753 162 167 ILE CA C 62.197 0.3 1 754 162 167 ILE CB C 36.851 0.3 1 755 162 167 ILE N N 113.444 0.23 1 756 163 168 SER H H 7.872 0.007 1 757 163 168 SER C C 174.112 0.3 1 758 163 168 SER CA C 58.474 0.3 1 759 163 168 SER CB C 63.512 0.3 1 760 163 168 SER N N 113.573 0.23 1 761 164 169 GLN H H 6.707 0.007 1 762 164 169 GLN C C 178.205 0.3 1 763 164 169 GLN CA C 55.716 0.3 1 764 164 169 GLN CB C 28.462 0.3 1 765 164 169 GLN N N 121.5 0.23 1 766 165 170 SER C C 175.591 0.3 1 767 165 170 SER CA C 61.919 0.3 1 768 166 171 ASN H H 8.108 0.007 1 769 166 171 ASN C C 174.829 0.3 1 770 166 171 ASN CA C 51.826 0.3 1 771 166 171 ASN CB C 36.816 0.3 1 772 166 171 ASN N N 118.004 0.23 1 773 167 172 TYR H H 7.274 0.007 1 774 167 172 TYR C C 174.862 0.3 1 775 167 172 TYR CA C 58.054 0.3 1 776 167 172 TYR CB C 38.935 0.3 1 777 167 172 TYR N N 121.102 0.23 1 778 168 173 ILE H H 7.444 0.007 1 779 168 173 ILE C C 172.708 0.3 1 780 168 173 ILE CA C 57.203 0.3 1 781 168 173 ILE CB C 40.174 0.3 1 782 168 173 ILE N N 130.662 0.23 1 783 169 174 PRO C C 175.274 0.3 1 784 169 174 PRO CA C 62.263 0.3 1 785 169 174 PRO CB C 31.787 0.3 1 786 170 175 THR H H 7.896 0.007 1 787 170 175 THR C C 175.599 0.3 1 788 170 175 THR CA C 59.591 0.3 1 789 170 175 THR CB C 71.039 0.3 1 790 170 175 THR N N 112.014 0.23 1 791 171 176 GLN H H 8.71 0.007 1 792 171 176 GLN C C 178.127 0.3 1 793 171 176 GLN CA C 59.768 0.3 1 794 171 176 GLN CB C 27.73 0.3 1 795 171 176 GLN N N 119.148 0.23 1 796 172 177 GLN H H 8.139 0.007 1 797 172 177 GLN C C 177.267 0.3 1 798 172 177 GLN CA C 57.969 0.3 1 799 172 177 GLN CB C 26.555 0.3 1 800 172 177 GLN N N 118.021 0.23 1 801 173 178 ASP H H 7.757 0.007 1 802 173 178 ASP C C 180.379 0.3 1 803 173 178 ASP CA C 57.003 0.3 1 804 173 178 ASP CB C 37.907 0.3 1 805 173 178 ASP N N 119.747 0.23 1 806 176 181 ARG C C 178.056 0.3 1 807 176 181 ARG CA C 54.826 0.3 1 808 176 181 ARG CB C 28.815 0.3 1 809 177 182 THR H H 7.217 0.007 1 810 177 182 THR C C 174.068 0.3 1 811 177 182 THR CA C 62.397 0.3 1 812 177 182 THR CB C 72.23 0.3 1 813 177 182 THR N N 115.202 0.23 1 814 178 183 ARG H H 9.104 0.007 1 815 178 183 ARG C C 175.336 0.3 1 816 178 183 ARG CA C 53.989 0.3 1 817 178 183 ARG CB C 30.697 0.3 1 818 178 183 ARG N N 121.457 0.23 1 819 179 184 VAL H H 8.658 0.007 1 820 179 184 VAL CA C 60.816 0.3 1 821 179 184 VAL CB C 33.803 0.3 1 822 179 184 VAL N N 128.296 0.23 1 823 182 187 THR C C 173.932 0.3 1 824 182 187 THR CA C 61.076 0.3 1 825 183 188 GLY H H 8.061 0.007 1 826 183 188 GLY C C 171.912 0.3 1 827 183 188 GLY CA C 44.458 0.3 1 828 183 188 GLY N N 112.603 0.23 1 829 184 189 ILE H H 8.059 0.007 1 830 184 189 ILE C C 176.269 0.3 1 831 184 189 ILE CA C 60.75 0.3 1 832 184 189 ILE CB C 38.304 0.3 1 833 184 189 ILE N N 121.793 0.23 1 834 187 192 THR C C 172.063 0.3 1 835 187 192 THR CA C 60.775 0.3 1 836 187 192 THR CB C 70.177 0.3 1 837 188 193 HIS H H 8.36 0.007 1 838 188 193 HIS C C 174.258 0.3 1 839 188 193 HIS CA C 52.425 0.3 1 840 188 193 HIS CB C 32.026 0.3 1 841 188 193 HIS N N 123.615 0.23 1 842 189 194 PHE H H 7.923 0.007 1 843 189 194 PHE C C 172.388 0.3 1 844 189 194 PHE CA C 56.395 0.3 1 845 189 194 PHE CB C 38.298 0.3 1 846 189 194 PHE N N 116.607 0.23 1 847 190 195 THR H H 8.657 0.007 1 848 190 195 THR C C 174.079 0.3 1 849 190 195 THR CA C 60.34 0.3 1 850 190 195 THR CB C 69.957 0.3 1 851 190 195 THR N N 115.915 0.23 1 852 191 196 PHE H H 8.969 0.007 1 853 191 196 PHE C C 173.828 0.3 1 854 191 196 PHE CA C 56.959 0.3 1 855 191 196 PHE CB C 40.5 0.3 1 856 191 196 PHE N N 126.678 0.23 1 857 192 197 LYS H H 8.764 0.007 1 858 192 197 LYS C C 174.682 0.3 1 859 192 197 LYS CA C 57.566 0.3 1 860 192 197 LYS CB C 28.369 0.3 1 861 192 197 LYS N N 126.989 0.23 1 862 193 198 ASP H H 8.31 0.007 1 863 193 198 ASP C C 174.24 0.3 1 864 193 198 ASP CA C 55.56 0.3 1 865 193 198 ASP CB C 38.949 0.3 1 866 193 198 ASP N N 110.63 0.23 1 867 194 199 LEU H H 7.95 0.007 1 868 194 199 LEU C C 175.028 0.3 1 869 194 199 LEU CA C 53.323 0.3 1 870 194 199 LEU CB C 42.73 0.3 1 871 194 199 LEU N N 121.314 0.23 1 872 195 200 TYR H H 8.357 0.007 1 873 195 200 TYR C C 174.081 0.3 1 874 195 200 TYR CA C 56.137 0.3 1 875 195 200 TYR CB C 37.902 0.3 1 876 195 200 TYR N N 124.33 0.23 1 877 196 201 PHE H H 8.866 0.007 1 878 196 201 PHE C C 174.941 0.3 1 879 196 201 PHE CA C 57.132 0.3 1 880 196 201 PHE CB C 39.814 0.3 1 881 196 201 PHE N N 126.264 0.23 1 882 197 202 LYS H H 8.5 0.007 1 883 197 202 LYS C C 173.642 0.3 1 884 197 202 LYS CA C 54.682 0.3 1 885 197 202 LYS CB C 32.682 0.3 1 886 197 202 LYS N N 121.129 0.23 1 887 198 203 MET H H 8.784 0.007 1 888 198 203 MET C C 174.224 0.3 1 889 198 203 MET CA C 53.501 0.3 1 890 198 203 MET CB C 35.437 0.3 1 891 198 203 MET N N 125.144 0.23 1 892 212 217 ILE C C 176.35 0.3 1 893 212 217 ILE CA C 61.177 0.3 1 894 212 217 ILE CB C 37.67 0.3 1 895 213 218 HIS H H 7.539 0.007 1 896 213 218 HIS C C 176.558 0.3 1 897 213 218 HIS CA C 57.277 0.3 1 898 213 218 HIS CB C 28.882 0.3 1 899 213 218 HIS N N 119.217 0.23 1 900 214 219 CYS H H 7.4 0.007 1 901 214 219 CYS C C 174.154 0.3 1 902 214 219 CYS CA C 58.711 0.3 1 903 214 219 CYS N N 117.62 0.23 1 904 215 220 PHE H H 7.263 0.007 1 905 215 220 PHE C C 174.727 0.3 1 906 215 220 PHE CA C 56.455 0.3 1 907 215 220 PHE CB C 36.654 0.3 1 908 215 220 PHE N N 117.755 0.23 1 909 216 221 GLU H H 7.332 0.007 1 910 216 221 GLU C C 177.437 0.3 1 911 216 221 GLU CA C 56.197 0.3 1 912 216 221 GLU CB C 29.324 0.3 1 913 216 221 GLU N N 120.854 0.23 1 914 217 222 GLY H H 8.729 0.007 1 915 217 222 GLY C C 175.131 0.3 1 916 217 222 GLY CA C 46.338 0.3 1 917 217 222 GLY N N 114.372 0.23 1 918 218 223 VAL H H 8.086 0.007 1 919 218 223 VAL C C 176.059 0.3 1 920 218 223 VAL CA C 63.313 0.3 1 921 218 223 VAL CB C 30.971 0.3 1 922 218 223 VAL N N 120.31 0.23 1 923 219 224 THR H H 8.856 0.007 1 924 219 224 THR C C 174.835 0.3 1 925 219 224 THR CA C 65.16 0.3 1 926 219 224 THR CB C 68.323 0.3 1 927 219 224 THR N N 127.944 0.23 1 928 220 225 ALA H H 7.861 0.007 1 929 220 225 ALA C C 173.908 0.3 1 930 220 225 ALA CA C 50.251 0.3 1 931 220 225 ALA CB C 20.683 0.3 1 932 220 225 ALA N N 120.524 0.23 1 933 221 226 ILE H H 8.486 0.007 1 934 221 226 ILE C C 173.292 0.3 1 935 221 226 ILE CA C 63.432 0.3 1 936 221 226 ILE N N 121.794 0.23 1 937 222 227 ILE H H 9.519 0.007 1 938 222 227 ILE C C 175.541 0.3 1 939 222 227 ILE N N 131.274 0.23 1 940 223 228 PHE H H 8.215 0.007 1 941 223 228 PHE C C 174.656 0.3 1 942 223 228 PHE CA C 55.802 0.3 1 943 223 228 PHE CB C 40.363 0.3 1 944 223 228 PHE N N 121.384 0.23 1 945 224 229 CYS H H 8.532 0.007 1 946 224 229 CYS C C 172.836 0.3 1 947 224 229 CYS CA C 58.9 0.3 1 948 224 229 CYS CB C 27.796 0.3 1 949 224 229 CYS N N 127.522 0.23 1 950 225 230 VAL H H 8.749 0.007 1 951 225 230 VAL C C 174.514 0.3 1 952 225 230 VAL CA C 60.089 0.3 1 953 225 230 VAL CB C 35.271 0.3 1 954 225 230 VAL N N 123.852 0.23 1 955 226 231 ALA H H 8.953 0.007 1 956 226 231 ALA C C 176.95 0.3 1 957 226 231 ALA CA C 49.71 0.3 1 958 226 231 ALA CB C 17.554 0.3 1 959 226 231 ALA N N 128.95 0.23 1 960 227 232 LEU C C 176.281 0.3 1 961 227 232 LEU CA C 58.077 0.3 1 962 227 232 LEU CB C 41.067 0.3 1 963 228 233 SER H H 6.902 0.007 1 964 228 233 SER C C 173.315 0.3 1 965 228 233 SER CA C 58.83 0.3 1 966 228 233 SER CB C 61.704 0.3 1 967 228 233 SER N N 101.998 0.23 1 968 229 234 ASP H H 7.445 0.007 1 969 229 234 ASP C C 177.623 0.3 1 970 229 234 ASP CA C 54.633 0.3 1 971 229 234 ASP CB C 39.703 0.3 1 972 229 234 ASP N N 123.108 0.23 1 973 230 235 TYR H H 7.166 0.007 1 974 230 235 TYR C C 173.663 0.3 1 975 230 235 TYR CA C 59.992 0.3 1 976 230 235 TYR CB C 35.709 0.3 1 977 230 235 TYR N N 115.465 0.23 1 978 231 236 ASP H H 6.565 0.007 1 979 231 236 ASP C C 175.221 0.3 1 980 231 236 ASP CA C 50.842 0.3 1 981 231 236 ASP CB C 39.288 0.3 1 982 231 236 ASP N N 119.659 0.23 1 983 232 237 LEU H H 7.13 0.007 1 984 232 237 LEU CA C 53.619 0.3 1 985 232 237 LEU CB C 42.57 0.3 1 986 232 237 LEU N N 119.905 0.23 1 987 233 238 VAL C C 177.694 0.3 1 988 233 238 VAL CA C 59.627 0.3 1 989 233 238 VAL CB C 32.992 0.3 1 990 234 239 LEU H H 8.117 0.007 1 991 234 239 LEU C C 177.29 0.3 1 992 234 239 LEU CA C 55.039 0.3 1 993 234 239 LEU CB C 41.074 0.3 1 994 234 239 LEU N N 125.866 0.23 1 995 235 240 ALA H H 8.496 0.007 1 996 235 240 ALA C C 179.324 0.3 1 997 235 240 ALA CA C 53.059 0.3 1 998 235 240 ALA CB C 17.819 0.3 1 999 235 240 ALA N N 126.328 0.23 1 1000 239 244 GLU C C 176.366 0.3 1 1001 239 244 GLU CA C 56.176 0.3 1 1002 239 244 GLU CB C 28.943 0.3 1 1003 240 245 MET H H 7.934 0.007 1 1004 240 245 MET C C 174.027 0.3 1 1005 240 245 MET CA C 53.381 0.3 1 1006 240 245 MET CB C 32.782 0.3 1 1007 240 245 MET N N 120.809 0.23 1 1008 241 246 ASN H H 8.697 0.007 1 1009 241 246 ASN C C 176.83 0.3 1 1010 241 246 ASN CA C 53.607 0.3 1 1011 241 246 ASN CB C 39.16 0.3 1 1012 241 246 ASN N N 125.111 0.23 1 1013 242 247 ARG H H 9.075 0.007 1 1014 242 247 ARG C C 179.417 0.3 1 1015 242 247 ARG CA C 60.335 0.3 1 1016 242 247 ARG CB C 29.88 0.3 1 1017 242 247 ARG N N 125.883 0.23 1 1018 243 248 MET H H 8.33 0.007 1 1019 243 248 MET C C 178.837 0.3 1 1020 243 248 MET CA C 57.341 0.3 1 1021 243 248 MET N N 121.814 0.23 1 1022 244 249 HIS H H 8.146 0.007 1 1023 244 249 HIS N N 121.384 0.23 1 1024 247 252 MET CB C 32.827 0.3 1 1025 248 253 LYS H H 7.753 0.007 1 1026 248 253 LYS C C 180.271 0.3 1 1027 248 253 LYS CA C 58.896 0.3 1 1028 248 253 LYS CB C 31.045 0.3 1 1029 248 253 LYS N N 120.22 0.23 1 1030 249 254 LEU H H 8.317 0.007 1 1031 249 254 LEU C C 178.714 0.3 1 1032 249 254 LEU CA C 57.29 0.3 1 1033 249 254 LEU CB C 41.101 0.3 1 1034 249 254 LEU N N 122.353 0.23 1 1035 250 255 PHE H H 8.886 0.007 1 1036 250 255 PHE C C 177.033 0.3 1 1037 250 255 PHE CA C 61.838 0.3 1 1038 250 255 PHE CB C 37.413 0.3 1 1039 250 255 PHE N N 122.367 0.23 1 1040 251 256 ASP H H 8.507 0.007 1 1041 251 256 ASP C C 177.748 0.3 1 1042 251 256 ASP CA C 56.841 0.3 1 1043 251 256 ASP CB C 41.334 0.3 1 1044 251 256 ASP N N 119.977 0.23 1 1045 252 257 SER H H 7.459 0.007 1 1046 252 257 SER CA C 60.847 0.3 1 1047 252 257 SER CB C 62.641 0.3 1 1048 252 257 SER N N 112.237 0.23 1 1049 253 258 ILE C C 176.778 0.3 1 1050 253 258 ILE CA C 62.003 0.3 1 1051 253 258 ILE CB C 36.871 0.3 1 1052 254 259 CYS H H 8.669 0.007 1 1053 254 259 CYS C C 175.373 0.3 1 1054 254 259 CYS CA C 61.578 0.3 1 1055 254 259 CYS CB C 25.588 0.3 1 1056 254 259 CYS N N 117.748 0.23 1 1057 255 260 ASN H H 6.966 0.007 1 1058 255 260 ASN C C 173.942 0.3 1 1059 255 260 ASN CA C 52.736 0.3 1 1060 255 260 ASN CB C 38.597 0.3 1 1061 255 260 ASN N N 111.757 0.23 1 1062 256 261 ASN H H 7.211 0.007 1 1063 256 261 ASN C C 177.695 0.3 1 1064 256 261 ASN CA C 53.688 0.3 1 1065 256 261 ASN CB C 39.06 0.3 1 1066 256 261 ASN N N 121.487 0.23 1 1067 257 262 LYS C C 177.943 0.3 1 1068 257 262 LYS CA C 58.303 0.3 1 1069 257 262 LYS CB C 30.557 0.3 1 1070 258 263 TRP H H 8.623 0.007 1 1071 258 263 TRP C C 177.867 0.3 1 1072 258 263 TRP CA C 58.24 0.3 1 1073 258 263 TRP CB C 27.658 0.3 1 1074 258 263 TRP N N 120.755 0.23 1 1075 259 264 PHE H H 7.555 0.007 1 1076 259 264 PHE C C 176.814 0.3 1 1077 259 264 PHE CA C 54.496 0.3 1 1078 259 264 PHE CB C 37.662 0.3 1 1079 259 264 PHE N N 117.052 0.23 1 1080 260 265 THR H H 7.361 0.007 1 1081 260 265 THR C C 176.705 0.3 1 1082 260 265 THR CA C 66.604 0.3 1 1083 260 265 THR CB C 68.098 0.3 1 1084 260 265 THR N N 116.417 0.23 1 1085 261 266 GLU H H 8.769 0.007 1 1086 261 266 GLU C C 175.888 0.3 1 1087 261 266 GLU CA C 55.6 0.3 1 1088 261 266 GLU CB C 28.624 0.3 1 1089 261 266 GLU N N 120.881 0.23 1 1090 262 267 THR H H 7.222 0.007 1 1091 262 267 THR C C 174.683 0.3 1 1092 262 267 THR CA C 62.772 0.3 1 1093 262 267 THR CB C 70.354 0.3 1 1094 262 267 THR N N 120.111 0.23 1 1095 263 268 SER H H 8.223 0.007 1 1096 263 268 SER C C 172.367 0.3 1 1097 263 268 SER CA C 60.314 0.3 1 1098 263 268 SER CB C 62.689 0.3 1 1099 263 268 SER N N 124.596 0.23 1 1100 264 269 ILE H H 9.373 0.007 1 1101 264 269 ILE C C 172.729 0.3 1 1102 264 269 ILE CA C 60.64 0.3 1 1103 264 269 ILE CB C 37.024 0.3 1 1104 264 269 ILE N N 127.669 0.23 1 1105 265 270 ILE H H 8.923 0.007 1 1106 265 270 ILE C C 174.569 0.3 1 1107 265 270 ILE CA C 58.713 0.3 1 1108 265 270 ILE CB C 40.352 0.3 1 1109 265 270 ILE N N 130.311 0.23 1 1110 266 271 LEU H H 8.602 0.007 1 1111 266 271 LEU C C 173.474 0.3 1 1112 266 271 LEU CA C 59.026 0.3 1 1113 266 271 LEU N N 126.149 0.23 1 1114 267 272 PHE H H 9.131 0.007 1 1115 267 272 PHE C C 174.812 0.3 1 1116 267 272 PHE CA C 52.593 0.3 1 1117 267 272 PHE CB C 44.745 0.3 1 1118 267 272 PHE N N 131.594 0.23 1 1119 268 273 LEU H H 9.233 0.007 1 1120 268 273 LEU CA C 52.593 0.3 1 1121 268 273 LEU CB C 43.052 0.3 1 1122 268 273 LEU N N 127.57 0.23 1 1123 269 274 ASN C C 175.195 0.3 1 1124 269 274 ASN CA C 52.022 0.3 1 1125 269 274 ASN CB C 40.92 0.3 1 1126 270 275 LYS H H 7.742 0.007 1 1127 270 275 LYS C C 178.736 0.3 1 1128 270 275 LYS CA C 57.221 0.3 1 1129 270 275 LYS CB C 28.64 0.3 1 1130 270 275 LYS N N 115.239 0.23 1 1131 271 276 LYS H H 8.519 0.007 1 1132 271 276 LYS C C 176.821 0.3 1 1133 271 276 LYS CA C 59.272 0.3 1 1134 271 276 LYS CB C 30.157 0.3 1 1135 271 276 LYS N N 117.708 0.23 1 1136 272 277 ASP H H 9.524 0.007 1 1137 272 277 ASP C C 178.469 0.3 1 1138 272 277 ASP CA C 55.422 0.3 1 1139 272 277 ASP CB C 38.639 0.3 1 1140 272 277 ASP N N 120.12 0.23 1 1141 273 278 LEU H H 7.14 0.007 1 1142 273 278 LEU C C 180.593 0.3 1 1143 273 278 LEU CA C 56.017 0.3 1 1144 273 278 LEU CB C 40.378 0.3 1 1145 273 278 LEU N N 121.67 0.23 1 1146 274 279 PHE H H 8.735 0.007 1 1147 274 279 PHE C C 174.8 0.3 1 1148 274 279 PHE CA C 62.018 0.3 1 1149 274 279 PHE CB C 40.223 0.3 1 1150 274 279 PHE N N 121.794 0.23 1 1151 275 280 GLU H H 8.135 0.007 1 1152 275 280 GLU C C 176.84 0.3 1 1153 275 280 GLU CA C 59.532 0.3 1 1154 275 280 GLU CB C 28.231 0.3 1 1155 275 280 GLU N N 118.049 0.23 1 1156 276 281 GLU H H 6.684 0.007 1 1157 276 281 GLU C C 178.475 0.3 1 1158 276 281 GLU CA C 57.651 0.3 1 1159 276 281 GLU CB C 29.387 0.3 1 1160 276 281 GLU N N 115.22 0.23 1 1161 277 282 LYS H H 8.003 0.007 1 1162 277 282 LYS C C 179.152 0.3 1 1163 277 282 LYS CA C 59.609 0.3 1 1164 277 282 LYS N N 120.37 0.23 1 1165 278 283 ILE C C 174.435 0.3 1 1166 278 283 ILE CA C 58.999 0.3 1 1167 278 283 ILE CB C 36.194 0.3 1 1168 279 284 LYS H H 6.496 0.007 1 1169 279 284 LYS C C 177.671 0.3 1 1170 279 284 LYS CA C 57.337 0.3 1 1171 279 284 LYS CB C 31.875 0.3 1 1172 279 284 LYS N N 116.357 0.23 1 1173 280 285 ARG H H 7.822 0.007 1 1174 280 285 ARG C C 175.546 0.3 1 1175 280 285 ARG CA C 55.416 0.3 1 1176 280 285 ARG CB C 31.941 0.3 1 1177 280 285 ARG N N 115.681 0.23 1 1178 281 286 SER H H 7.998 0.007 1 1179 281 286 SER CA C 53.52 0.3 1 1180 281 286 SER CB C 62.557 0.3 1 1181 281 286 SER N N 118.963 0.23 1 1182 282 287 PRO C C 177.955 0.3 1 1183 282 287 PRO CA C 63.186 0.3 1 1184 282 287 PRO CB C 32.03 0.3 1 1185 283 288 LEU H H 8.25 0.007 1 1186 283 288 LEU C C 178.852 0.3 1 1187 283 288 LEU CA C 56.101 0.3 1 1188 283 288 LEU CB C 40.635 0.3 1 1189 283 288 LEU N N 123.994 0.23 1 1190 284 289 THR H H 7.697 0.007 1 1191 284 289 THR C C 175.973 0.3 1 1192 284 289 THR CA C 62.021 0.3 1 1193 284 289 THR CB C 68.558 0.3 1 1194 284 289 THR N N 109.602 0.23 1 1195 285 290 ILE H H 7.358 0.007 1 1196 285 290 ILE C C 175.125 0.3 1 1197 285 290 ILE CA C 64.226 0.3 1 1198 285 290 ILE CB C 38.034 0.3 1 1199 285 290 ILE N N 122.21 0.23 1 1200 286 291 CYS H H 7.529 0.007 1 1201 286 291 CYS C C 174.574 0.3 1 1202 286 291 CYS CA C 59.772 0.3 1 1203 286 291 CYS CB C 28.958 0.3 1 1204 286 291 CYS N N 119.215 0.23 1 1205 287 292 TYR H H 7.857 0.007 1 1206 287 292 TYR C C 175.637 0.3 1 1207 287 292 TYR CA C 53.913 0.3 1 1208 287 292 TYR N N 117.939 0.23 1 1209 288 293 PRO C C 177.287 0.3 1 1210 288 293 PRO CB C 30.884 0.3 1 1211 289 294 GLU H H 9.162 0.007 1 1212 289 294 GLU C C 176.248 0.3 1 1213 289 294 GLU CA C 55.826 0.3 1 1214 289 294 GLU CB C 27.465 0.3 1 1215 289 294 GLU N N 116.957 0.23 1 1216 290 295 TYR H H 7.917 0.007 1 1217 290 295 TYR C C 177.093 0.3 1 1218 290 295 TYR CA C 58.252 0.3 1 1219 290 295 TYR CB C 37.611 0.3 1 1220 290 295 TYR N N 123.622 0.23 1 1221 291 296 THR H H 8.233 0.007 1 1222 291 296 THR C C 174.771 0.3 1 1223 291 296 THR CA C 58.402 0.3 1 1224 291 296 THR CB C 68.738 0.3 1 1225 291 296 THR N N 120.389 0.23 1 1226 292 297 GLY C C 172.173 0.3 1 1227 292 297 GLY CA C 44.296 0.3 1 1228 293 298 SER H H 8.071 0.007 1 1229 293 298 SER C C 176.272 0.3 1 1230 293 298 SER CA C 57.52 0.3 1 1231 293 298 SER CB C 63.872 0.3 1 1232 293 298 SER N N 113.73 0.23 1 1233 294 299 ASN C C 174.103 0.3 1 1234 294 299 ASN CA C 52.738 0.3 1 1235 294 299 ASN CB C 36.627 0.3 1 1236 295 300 THR H H 7.422 0.007 1 1237 295 300 THR C C 173.972 0.3 1 1238 295 300 THR CA C 58.426 0.3 1 1239 295 300 THR CB C 71.196 0.3 1 1240 295 300 THR N N 109.828 0.23 1 1241 296 301 TYR H H 8.954 0.007 1 1242 296 301 TYR C C 176.029 0.3 1 1243 296 301 TYR CA C 62.159 0.3 1 1244 296 301 TYR CB C 37.812 0.3 1 1245 296 301 TYR N N 123.355 0.23 1 1246 297 302 GLU H H 9.081 0.007 1 1247 297 302 GLU C C 179.583 0.3 1 1248 297 302 GLU CA C 60.34 0.3 1 1249 297 302 GLU CB C 28.029 0.3 1 1250 297 302 GLU N N 116.258 0.23 1 1251 298 303 GLU H H 7.295 0.007 1 1252 298 303 GLU C C 178.976 0.3 1 1253 298 303 GLU CA C 59.329 0.3 1 1254 298 303 GLU CB C 29.031 0.3 1 1255 298 303 GLU N N 118.71 0.23 1 1256 299 304 ALA H H 8.235 0.007 1 1257 299 304 ALA C C 179.185 0.3 1 1258 299 304 ALA CA C 54.64 0.3 1 1259 299 304 ALA CB C 18.8 0.3 1 1260 299 304 ALA N N 123.515 0.23 1 1261 300 305 ALA H H 8.663 0.007 1 1262 300 305 ALA C C 179.423 0.3 1 1263 300 305 ALA CA C 55.148 0.3 1 1264 300 305 ALA CB C 16.354 0.3 1 1265 300 305 ALA N N 120.406 0.23 1 1266 301 306 ALA H H 7.018 0.007 1 1267 301 306 ALA C C 180.167 0.3 1 1268 301 306 ALA CA C 54.242 0.3 1 1269 301 306 ALA CB C 17.256 0.3 1 1270 301 306 ALA N N 118.186 0.23 1 1271 302 307 TYR H H 7.772 0.007 1 1272 302 307 TYR C C 178.411 0.3 1 1273 302 307 TYR CA C 62.11 0.3 1 1274 302 307 TYR CB C 40.468 0.3 1 1275 302 307 TYR N N 121.528 0.23 1 1276 304 309 GLN C C 177.725 0.3 1 1277 304 309 GLN CA C 59.996 0.3 1 1278 304 309 GLN CB C 25.719 0.3 1 1279 305 310 CYS H H 7.847 0.007 1 1280 305 310 CYS C C 176.171 0.3 1 1281 305 310 CYS CA C 62.504 0.3 1 1282 305 310 CYS CB C 25.567 0.3 1 1283 305 310 CYS N N 117.854 0.23 1 1284 306 311 GLN H H 7.745 0.007 1 1285 306 311 GLN C C 180.441 0.3 1 1286 306 311 GLN CA C 57.639 0.3 1 1287 306 311 GLN CB C 28.361 0.3 1 1288 306 311 GLN N N 118.208 0.23 1 1289 307 312 PHE H H 7.559 0.007 1 1290 307 312 PHE C C 178.414 0.3 1 1291 307 312 PHE CA C 61.908 0.3 1 1292 307 312 PHE CB C 38.727 0.3 1 1293 307 312 PHE N N 115.873 0.23 1 1294 308 313 GLU H H 8.541 0.007 1 1295 308 313 GLU C C 180.252 0.3 1 1296 308 313 GLU CA C 59.76 0.3 1 1297 308 313 GLU CB C 28.051 0.3 1 1298 308 313 GLU N N 118.484 0.23 1 1299 309 314 ASP H H 8.103 0.007 1 1300 309 314 ASP C C 177.198 0.3 1 1301 309 314 ASP CA C 55.516 0.3 1 1302 309 314 ASP CB C 39.659 0.3 1 1303 309 314 ASP N N 117.978 0.23 1 1304 310 315 LEU H H 7.424 0.007 1 1305 310 315 LEU C C 177.002 0.3 1 1306 310 315 LEU CA C 55.279 0.3 1 1307 310 315 LEU CB C 40.315 0.3 1 1308 310 315 LEU N N 118.846 0.23 1 1309 311 316 ASN H H 7.143 0.007 1 1310 311 316 ASN C C 175.2 0.3 1 1311 311 316 ASN CA C 52.37 0.3 1 1312 311 316 ASN CB C 37.57 0.3 1 1313 311 316 ASN N N 116.72 0.23 1 1314 312 317 ARG H H 8.824 0.007 1 1315 312 317 ARG C C 176.664 0.3 1 1316 312 317 ARG CA C 56.247 0.3 1 1317 312 317 ARG CB C 28.391 0.3 1 1318 312 317 ARG N N 128.584 0.23 1 1319 313 318 ARG H H 7.638 0.007 1 1320 313 318 ARG C C 176.231 0.3 1 1321 313 318 ARG CA C 54.587 0.3 1 1322 313 318 ARG CB C 28.508 0.3 1 1323 313 318 ARG N N 121.126 0.23 1 1324 314 319 LYS H H 7.623 0.007 1 1325 314 319 LYS C C 177.093 0.3 1 1326 314 319 LYS CA C 58.375 0.3 1 1327 314 319 LYS CB C 31.652 0.3 1 1328 314 319 LYS N N 121.052 0.23 1 1329 315 320 ASP H H 8.519 0.007 1 1330 315 320 ASP C C 176.883 0.3 1 1331 315 320 ASP CA C 55.016 0.3 1 1332 315 320 ASP CB C 39.567 0.3 1 1333 315 320 ASP N N 116.147 0.23 1 1334 316 321 THR H H 7.499 0.007 1 1335 316 321 THR C C 174.086 0.3 1 1336 316 321 THR CA C 61.435 0.3 1 1337 316 321 THR CB C 69.702 0.3 1 1338 316 321 THR N N 110.737 0.23 1 1339 317 322 LYS H H 8.253 0.007 1 1340 317 322 LYS C C 174.512 0.3 1 1341 317 322 LYS CA C 55.499 0.3 1 1342 317 322 LYS CB C 32.639 0.3 1 1343 317 322 LYS N N 125.957 0.23 1 1344 318 323 GLU H H 8.223 0.007 1 1345 318 323 GLU C C 174.529 0.3 1 1346 318 323 GLU CA C 55.021 0.3 1 1347 318 323 GLU CB C 29.912 0.3 1 1348 318 323 GLU N N 125.998 0.23 1 1349 319 324 ILE H H 7.782 0.007 1 1350 319 324 ILE C C 175.458 0.3 1 1351 319 324 ILE CA C 58.741 0.3 1 1352 319 324 ILE CB C 38.019 0.3 1 1353 319 324 ILE N N 120.22 0.23 1 1354 320 325 TYR H H 8.104 0.007 1 1355 320 325 TYR C C 174.665 0.3 1 1356 320 325 TYR CA C 56.769 0.3 1 1357 320 325 TYR CB C 37.65 0.3 1 1358 320 325 TYR N N 128.118 0.23 1 1359 321 326 THR H H 7.964 0.007 1 1360 321 326 THR C C 174.603 0.3 1 1361 321 326 THR CA C 62.454 0.3 1 1362 321 326 THR CB C 68.372 0.3 1 1363 321 326 THR N N 123.28 0.23 1 1364 322 327 HIS H H 9.127 0.007 1 1365 322 327 HIS C C 173.346 0.3 1 1366 322 327 HIS CA C 54.97 0.3 1 1367 322 327 HIS CB C 35.286 0.3 1 1368 322 327 HIS N N 126.101 0.23 1 1369 323 328 PHE H H 8.95 0.007 1 1370 323 328 PHE C C 176.767 0.3 1 1371 323 328 PHE CA C 56.752 0.3 1 1372 323 328 PHE CB C 38.537 0.3 1 1373 323 328 PHE N N 124.192 0.23 1 1374 324 329 THR H H 9.1 0.007 1 1375 324 329 THR C C 174.162 0.3 1 1376 324 329 THR CA C 60.296 0.3 1 1377 324 329 THR CB C 72.311 0.3 1 1378 324 329 THR N N 116.393 0.23 1 1379 325 330 CYS H H 8.114 0.007 1 1380 325 330 CYS C C 175.411 0.3 1 1381 325 330 CYS CA C 56.734 0.3 1 1382 325 330 CYS CB C 27.159 0.3 1 1383 325 330 CYS N N 122.607 0.23 1 1384 326 331 ALA H H 9.223 0.007 1 1385 326 331 ALA C C 176.933 0.3 1 1386 326 331 ALA CA C 54.239 0.3 1 1387 326 331 ALA CB C 17.053 0.3 1 1388 326 331 ALA N N 130.152 0.23 1 1389 327 332 THR H H 6.865 0.007 1 1390 327 332 THR C C 172.768 0.3 1 1391 327 332 THR CA C 61.571 0.3 1 1392 327 332 THR CB C 65.754 0.3 1 1393 327 332 THR N N 103.537 0.23 1 1394 328 333 ASP H H 7.797 0.007 1 1395 328 333 ASP C C 174.899 0.3 1 1396 328 333 ASP CA C 52.045 0.3 1 1397 328 333 ASP CB C 40.637 0.3 1 1398 328 333 ASP N N 125.09 0.23 1 1399 329 334 THR H H 8.492 0.007 1 1400 329 334 THR C C 175.117 0.3 1 1401 329 334 THR CA C 66.91 0.3 1 1402 329 334 THR CB C 68.891 0.3 1 1403 329 334 THR N N 125.371 0.23 1 1404 330 335 LYS H H 7.757 0.007 1 1405 330 335 LYS C C 179.395 0.3 1 1406 330 335 LYS CA C 58.893 0.3 1 1407 330 335 LYS CB C 30.388 0.3 1 1408 330 335 LYS N N 119.469 0.23 1 1409 331 336 ASN H H 7.575 0.007 1 1410 331 336 ASN C C 176.832 0.3 1 1411 331 336 ASN CA C 56.814 0.3 1 1412 331 336 ASN CB C 39.682 0.3 1 1413 331 336 ASN N N 120.569 0.23 1 1414 332 337 VAL H H 8.082 0.007 1 1415 332 337 VAL C C 177.009 0.3 1 1416 332 337 VAL CA C 66.58 0.3 1 1417 332 337 VAL CB C 29.241 0.3 1 1418 332 337 VAL N N 119.28 0.23 1 1419 333 338 GLN H H 8.632 0.007 1 1420 333 338 GLN C C 177.902 0.3 1 1421 333 338 GLN CA C 59.574 0.3 1 1422 333 338 GLN CB C 30.359 0.3 1 1423 333 338 GLN N N 121.251 0.23 1 1424 334 339 PHE H H 7.581 0.007 1 1425 334 339 PHE C C 178.807 0.3 1 1426 334 339 PHE CA C 60.764 0.3 1 1427 334 339 PHE CB C 38.265 0.3 1 1428 334 339 PHE N N 120.659 0.23 1 1429 335 340 VAL H H 8.509 0.007 1 1430 335 340 VAL C C 177.842 0.3 1 1431 335 340 VAL CA C 65.43 0.3 1 1432 335 340 VAL CB C 30.183 0.3 1 1433 335 340 VAL N N 120.89 0.23 1 1434 336 341 PHE H H 9.117 0.007 1 1435 336 341 PHE C C 178.447 0.3 1 1436 336 341 PHE CA C 62.497 0.3 1 1437 336 341 PHE CB C 37.177 0.3 1 1438 336 341 PHE N N 121.659 0.23 1 1439 337 342 ASP H H 7.767 0.007 1 1440 337 342 ASP C C 177.397 0.3 1 1441 337 342 ASP CA C 57.908 0.3 1 1442 337 342 ASP CB C 40.358 0.3 1 1443 337 342 ASP N N 123.123 0.23 1 1444 338 343 ALA H H 6.961 0.007 1 1445 338 343 ALA C C 181.552 0.3 1 1446 338 343 ALA CA C 54.347 0.3 1 1447 338 343 ALA CB C 16.912 0.3 1 1448 338 343 ALA N N 122.711 0.23 1 1449 339 344 VAL H H 8.441 0.007 1 1450 339 344 VAL C C 177.395 0.3 1 1451 339 344 VAL CA C 65.54 0.3 1 1452 339 344 VAL CB C 30.237 0.3 1 1453 339 344 VAL N N 120.504 0.23 1 1454 340 345 THR H H 7.935 0.007 1 1455 340 345 THR C C 175.515 0.3 1 1456 340 345 THR CA C 67.841 0.3 1 1457 340 345 THR CB C 68.607 0.3 1 1458 340 345 THR N N 116.545 0.23 1 1459 341 346 ASP H H 7.437 0.007 1 1460 341 346 ASP C C 178.682 0.3 1 1461 341 346 ASP CA C 57.618 0.3 1 1462 341 346 ASP CB C 39.581 0.3 1 1463 341 346 ASP N N 121.847 0.23 1 1464 342 347 VAL H H 7.236 0.007 1 1465 342 347 VAL C C 177.869 0.3 1 1466 342 347 VAL CA C 65.824 0.3 1 1467 342 347 VAL CB C 30.232 0.3 1 1468 342 347 VAL N N 120.556 0.23 1 1469 343 348 ILE H H 7.667 0.007 1 1470 343 348 ILE C C 178.762 0.3 1 1471 343 348 ILE CA C 64.305 0.3 1 1472 343 348 ILE CB C 37.226 0.3 1 1473 343 348 ILE N N 121.976 0.23 1 1474 344 349 ILE H H 8.378 0.007 1 1475 344 349 ILE C C 178.295 0.3 1 1476 344 349 ILE CA C 65.222 0.3 1 1477 344 349 ILE CB C 37.236 0.3 1 1478 344 349 ILE N N 121.564 0.23 1 1479 345 350 LYS H H 7.78 0.007 1 1480 345 350 LYS C C 178.514 0.3 1 1481 345 350 LYS CA C 58.765 0.3 1 1482 345 350 LYS CB C 31.521 0.3 1 1483 345 350 LYS N N 119.181 0.23 1 1484 346 351 ASN H H 8.113 0.007 1 1485 346 351 ASN C C 176.53 0.3 1 1486 346 351 ASN CA C 54.315 0.3 1 1487 346 351 ASN CB C 38.286 0.3 1 1488 346 351 ASN N N 116.557 0.23 1 1489 347 352 ASN H H 8.149 0.007 1 1490 347 352 ASN C C 175.545 0.3 1 1491 347 352 ASN CA C 54.538 0.3 1 1492 347 352 ASN CB C 39.642 0.3 1 1493 347 352 ASN N N 118.645 0.23 1 1494 348 353 LEU H H 7.724 0.007 1 1495 348 353 LEU C C 177.55 0.3 1 1496 348 353 LEU CA C 55.175 0.3 1 1497 348 353 LEU CB C 40.48 0.3 1 1498 348 353 LEU N N 121.407 0.23 1 1499 349 354 LYS H H 7.801 0.007 1 1500 349 354 LYS C C 177.263 0.3 1 1501 349 354 LYS CA C 56.781 0.3 1 1502 349 354 LYS CB C 31.65 0.3 1 1503 349 354 LYS N N 120.962 0.23 1 1504 350 355 GLU H H 8.248 0.007 1 1505 350 355 GLU C C 176.777 0.3 1 1506 350 355 GLU CA C 56.454 0.3 1 1507 350 355 GLU CB C 28.925 0.3 1 1508 350 355 GLU N N 121.411 0.23 1 1509 351 356 CYS H H 8.129 0.007 1 1510 351 356 CYS C C 175.031 0.3 1 1511 351 356 CYS CA C 58.488 0.3 1 1512 351 356 CYS CB C 27.506 0.3 1 1513 351 356 CYS N N 119.641 0.23 1 1514 352 357 GLY H H 8.254 0.007 1 1515 352 357 GLY C C 173.736 0.3 1 1516 352 357 GLY CA C 45.068 0.3 1 1517 352 357 GLY N N 111.561 0.23 1 1518 353 358 LEU H H 7.801 0.007 1 1519 353 358 LEU C C 175.889 0.3 1 1520 353 358 LEU CA C 54.767 0.3 1 1521 353 358 LEU CB C 41.41 0.3 1 1522 353 358 LEU N N 122.461 0.23 1 1523 354 359 TYR H H 7.456 0.007 1 1524 354 359 TYR C C 180.358 0.3 1 1525 354 359 TYR CA C 58.492 0.3 1 1526 354 359 TYR CB C 38.758 0.3 1 1527 354 359 TYR N N 125.439 0.23 1 stop_ save_