data_26976 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; AILV Methyl Resonance Assignments for G protein alpha i3 subunit in the GoLoco14-bound state ; _BMRB_accession_number 26976 _BMRB_flat_file_name bmr26976.str _Entry_type original _Submission_date 2016-12-17 _Accession_date 2016-12-17 _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 Toyama Yuki . . 2 Kano Hanaho . . 3 Mase Yoko . . 4 Yokogawa Mariko . . 5 Osawa Masanori . . 6 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" 93 "13C chemical shifts" 93 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-02-24 update BMRB 'update entry citation' 2017-02-21 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18103 'Backbone resonance assignments for G protein alpha i3 subunit in the GTP-bound state' 19015 'Backbone resonance assignments for G protein alpha i3 subunit in the GDP-bound state' 26975 'G protein alpha i3 subunit in the GDP-bound state' stop_ _Original_release_date 2016-12-19 save_ ############################# # Citation for this entry # ############################# save_citations_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Dynamic regulation of GDP binding to G proteins revealed by magnetic field dependent NMR relaxation analyses ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28223697 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Toyama Yuki . . 2 Kano Hanaho . . 3 Mase Yoko . . 4 Yokogawa Mariko . . 5 Osawa Masanori . . 6 Shimada Ichio . . stop_ _Journal_abbreviation 'Nat. Commun.' _Journal_volume 8 _Journal_issue 14523 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2017 _Details . loop_ _Keyword 'G protein alpha subunit' GoLoco RGS14 'heterotrimeric guanine-nucleotide binding protein' 'signal transduction' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'G alpha i3 bound to GoLoco14' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'G alphai 3' $G_protein_alpha_subunit_i3 GDP $entity_GDP GoLoco14 $GoLoco14_(Regulator_of_G-protein_Signaling_14) stop_ _System_molecular_weight 46000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details 'Galphai3 bound to GoLoco14' save_ ######################## # Monomeric polymers # ######################## save_G_protein_alpha_subunit_i3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common G_protein_alpha_subunit_i3 _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 -4 GLY 2 -3 PRO 3 -2 ASP 4 -1 ASP 5 0 HIS 6 1 MET 7 2 GLY 8 3 CYS 9 4 THR 10 5 LEU 11 6 SER 12 7 ALA 13 8 GLU 14 9 ASP 15 10 LYS 16 11 ALA 17 12 ALA 18 13 VAL 19 14 GLU 20 15 ARG 21 16 SER 22 17 LYS 23 18 MET 24 19 ILE 25 20 ASP 26 21 ARG 27 22 ASN 28 23 LEU 29 24 ARG 30 25 GLU 31 26 ASP 32 27 GLY 33 28 GLU 34 29 LYS 35 30 ALA 36 31 ALA 37 32 LYS 38 33 GLU 39 34 VAL 40 35 LYS 41 36 LEU 42 37 LEU 43 38 LEU 44 39 LEU 45 40 GLY 46 41 ALA 47 42 GLY 48 43 GLU 49 44 SER 50 45 GLY 51 46 LYS 52 47 SER 53 48 THR 54 49 ILE 55 50 VAL 56 51 LYS 57 52 GLN 58 53 MET 59 54 LYS 60 55 ILE 61 56 ILE 62 57 HIS 63 58 GLU 64 59 ASP 65 60 GLY 66 61 TYR 67 62 SER 68 63 GLU 69 64 ASP 70 65 GLU 71 66 CYS 72 67 LYS 73 68 GLN 74 69 TYR 75 70 LYS 76 71 VAL 77 72 VAL 78 73 VAL 79 74 TYR 80 75 SER 81 76 ASN 82 77 THR 83 78 ILE 84 79 GLN 85 80 SER 86 81 ILE 87 82 ILE 88 83 ALA 89 84 ILE 90 85 ILE 91 86 ARG 92 87 ALA 93 88 MET 94 89 GLY 95 90 ARG 96 91 LEU 97 92 LYS 98 93 ILE 99 94 ASP 100 95 PHE 101 96 GLY 102 97 GLU 103 98 ALA 104 99 ALA 105 100 ARG 106 101 ALA 107 102 ASP 108 103 ASP 109 104 ALA 110 105 ARG 111 106 GLN 112 107 LEU 113 108 PHE 114 109 VAL 115 110 LEU 116 111 ALA 117 112 GLY 118 113 SER 119 114 ALA 120 115 GLU 121 116 GLU 122 117 GLY 123 118 VAL 124 119 MET 125 120 THR 126 121 PRO 127 122 GLU 128 123 LEU 129 124 ALA 130 125 GLY 131 126 VAL 132 127 ILE 133 128 LYS 134 129 ARG 135 130 LEU 136 131 TRP 137 132 ARG 138 133 ASP 139 134 GLY 140 135 GLY 141 136 VAL 142 137 GLN 143 138 ALA 144 139 CYS 145 140 PHE 146 141 SER 147 142 ARG 148 143 SER 149 144 ARG 150 145 GLU 151 146 TYR 152 147 GLN 153 148 LEU 154 149 ASN 155 150 ASP 156 151 SER 157 152 ALA 158 153 SER 159 154 TYR 160 155 TYR 161 156 LEU 162 157 ASN 163 158 ASP 164 159 LEU 165 160 ASP 166 161 ARG 167 162 ILE 168 163 SER 169 164 GLN 170 165 SER 171 166 ASN 172 167 TYR 173 168 ILE 174 169 PRO 175 170 THR 176 171 GLN 177 172 GLN 178 173 ASP 179 174 VAL 180 175 LEU 181 176 ARG 182 177 THR 183 178 ARG 184 179 VAL 185 180 LYS 186 181 THR 187 182 THR 188 183 GLY 189 184 ILE 190 185 VAL 191 186 GLU 192 187 THR 193 188 HIS 194 189 PHE 195 190 THR 196 191 PHE 197 192 LYS 198 193 ASP 199 194 LEU 200 195 TYR 201 196 PHE 202 197 LYS 203 198 MET 204 199 PHE 205 200 ASP 206 201 VAL 207 202 GLY 208 203 GLY 209 204 GLN 210 205 ARG 211 206 SER 212 207 GLU 213 208 ARG 214 209 LYS 215 210 LYS 216 211 TRP 217 212 ILE 218 213 HIS 219 214 CYS 220 215 PHE 221 216 GLU 222 217 GLY 223 218 VAL 224 219 THR 225 220 ALA 226 221 ILE 227 222 ILE 228 223 PHE 229 224 CYS 230 225 VAL 231 226 ALA 232 227 LEU 233 228 SER 234 229 ASP 235 230 TYR 236 231 ASP 237 232 LEU 238 233 VAL 239 234 LEU 240 235 ALA 241 236 GLU 242 237 ASP 243 238 GLU 244 239 GLU 245 240 MET 246 241 ASN 247 242 ARG 248 243 MET 249 244 HIS 250 245 GLU 251 246 SER 252 247 MET 253 248 LYS 254 249 LEU 255 250 PHE 256 251 ASP 257 252 SER 258 253 ILE 259 254 CYS 260 255 ASN 261 256 ASN 262 257 LYS 263 258 TRP 264 259 PHE 265 260 THR 266 261 GLU 267 262 THR 268 263 SER 269 264 ILE 270 265 ILE 271 266 LEU 272 267 PHE 273 268 LEU 274 269 ASN 275 270 LYS 276 271 LYS 277 272 ASP 278 273 LEU 279 274 PHE 280 275 GLU 281 276 GLU 282 277 LYS 283 278 ILE 284 279 LYS 285 280 ARG 286 281 SER 287 282 PRO 288 283 LEU 289 284 THR 290 285 ILE 291 286 CYS 292 287 TYR 293 288 PRO 294 289 GLU 295 290 TYR 296 291 THR 297 292 GLY 298 293 SER 299 294 ASN 300 295 THR 301 296 TYR 302 297 GLU 303 298 GLU 304 299 ALA 305 300 ALA 306 301 ALA 307 302 TYR 308 303 ILE 309 304 GLN 310 305 CYS 311 306 GLN 312 307 PHE 313 308 GLU 314 309 ASP 315 310 LEU 316 311 ASN 317 312 ARG 318 313 ARG 319 314 LYS 320 315 ASP 321 316 THR 322 317 LYS 323 318 GLU 324 319 ILE 325 320 TYR 326 321 THR 327 322 HIS 328 323 PHE 329 324 THR 330 325 CYS 331 326 ALA 332 327 THR 333 328 ASP 334 329 THR 335 330 LYS 336 331 ASN 337 332 VAL 338 333 GLN 339 334 PHE 340 335 VAL 341 336 PHE 342 337 ASP 343 338 ALA 344 339 VAL 345 340 THR 346 341 ASP 347 342 VAL 348 343 ILE 349 344 ILE 350 345 LYS 351 346 ASN 352 347 ASN 353 348 LEU 354 349 LYS 355 350 GLU 356 351 CYS 357 352 GLY 358 353 LEU 359 354 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_GoLoco14_(Regulator_of_G-protein_Signaling_14) _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GoLoco14_(Regulator_of_G-protein_Signaling_14) _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 41 _Mol_residue_sequence ; GPLGSDIEGLVELLNRVQSS GAHDQRGLLRKEDLVLPEFL Q ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 ASP 7 ILE 8 GLU 9 GLY 10 LEU 11 VAL 12 GLU 13 LEU 14 LEU 15 ASN 16 ARG 17 VAL 18 GLN 19 SER 20 SER 21 GLY 22 ALA 23 HIS 24 ASP 25 GLN 26 ARG 27 GLY 28 LEU 29 LEU 30 ARG 31 LYS 32 GLU 33 ASP 34 LEU 35 VAL 36 LEU 37 PRO 38 GLU 39 PHE 40 LEU 41 GLN 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 O08773 'Regulator of G-protein signaling 14' . . . . . GB AAH91132.1 'Rgs14 protein [Rattus norvegicus]' . . . . . stop_ save_ ############# # Ligands # ############# save_GDP _Saveframe_category ligand _Mol_type "non-polymer (RNA LINKING)" _Name_common "entity_GDP (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_alpha_subunit_i3 Human 9606 Eukaryota Metazoa Homo sapiens $GoLoco14_(Regulator_of_G-protein_Signaling_14) Rat 10116 Eukaryota Metazoa Rattus norvegicus 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_alpha_subunit_i3 'recombinant technology' . Escherichia coli BL21(DE3) pET24d(+) $GoLoco14_(Regulator_of_G-protein_Signaling_14) 'recombinant technology' . Escherichia coli C41(DE3) pGEX-6P-1 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_alpha_subunit_i3 270 uM '[U-2H, AILVproS 1H,13C]' HEPES 20 mM 'natural abundance' DTT 5 mM 'natural abundance' $entity_GDP 500 uM 'natural abundance' $GoLoco14_(Regulator_of_G-protein_Signaling_14) 290 uM 'natural abundance' DSS 100 uM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version v3.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.114 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HMQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HMQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 20 . mM pH 7 . pH pressure 1 . atm temperature 293 . 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 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 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-13C HMQC' '3D 1H-13C NOESY aliphatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'G alphai 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 5 10 LEU HD2 H 0.839 0.0196 2 2 5 10 LEU CD2 C 23.308 0.133 2 3 7 12 ALA HB H 1.426 0.0196 1 4 7 12 ALA CB C 18.478 0.133 1 5 11 16 ALA HB H 1.444 0.0196 1 6 11 16 ALA CB C 18.198 0.133 1 7 12 17 ALA HB H 1.484 0.0196 1 8 12 17 ALA CB C 18.347 0.133 1 9 13 18 VAL HG2 H 1.007 0.0196 2 10 13 18 VAL CG2 C 21.405 0.133 2 11 19 24 ILE HD1 H 0.831 0.0196 1 12 19 24 ILE CD1 C 12.691 0.133 1 13 23 28 LEU HD2 H 0.822 0.0196 2 14 23 28 LEU CD2 C 23.082 0.133 2 15 30 35 ALA HB H 1.311 0.0196 1 16 30 35 ALA CB C 19.163 0.133 1 17 31 36 ALA HB H 1.287 0.0196 1 18 31 36 ALA CB C 19.281 0.133 1 19 34 39 VAL HG2 H 0.344 0.0196 2 20 34 39 VAL CG2 C 20.624 0.133 2 21 36 41 LEU HD2 H 0.954 0.0196 2 22 36 41 LEU CD2 C 25.41 0.133 2 23 37 42 LEU HD2 H 0.939 0.0196 2 24 37 42 LEU CD2 C 26.445 0.133 2 25 38 43 LEU HD2 H 0.836 0.0196 2 26 38 43 LEU CD2 C 25.141 0.133 2 27 39 44 LEU HD2 H 1.412 0.0196 2 28 39 44 LEU CD2 C 23.674 0.133 2 29 41 46 ALA HB H 1.405 0.0196 1 30 41 46 ALA CB C 19.355 0.133 1 31 49 54 ILE HD1 H 0.889 0.0196 1 32 49 54 ILE CD1 C 11.968 0.133 1 33 50 55 VAL HG2 H 0.881 0.0196 2 34 50 55 VAL CG2 C 22.879 0.133 2 35 55 60 ILE HD1 H 0.79 0.0196 1 36 55 60 ILE CD1 C 13.529 0.133 1 37 56 61 ILE HD1 H 0.359 0.0196 1 38 56 61 ILE CD1 C 13.683 0.133 1 39 71 76 VAL HG2 H 1.036 0.0196 2 40 71 76 VAL CG2 C 20.99 0.133 2 41 72 77 VAL HG2 H 0.946 0.0196 2 42 72 77 VAL CG2 C 22.354 0.133 2 43 73 78 VAL HG2 H 0.968 0.0196 2 44 73 78 VAL CG2 C 21.191 0.133 2 45 78 83 ILE HD1 H 0.716 0.0196 1 46 78 83 ILE CD1 C 14.09 0.133 1 47 81 86 ILE HD1 H 1.176 0.0196 1 48 81 86 ILE CD1 C 14.357 0.133 1 49 82 87 ILE HD1 H 0.443 0.0196 1 50 82 87 ILE CD1 C 14.264 0.133 1 51 83 88 ALA HB H 1.68 0.0196 1 52 83 88 ALA CB C 18.26 0.133 1 53 84 89 ILE HD1 H 1.19 0.0196 1 54 84 89 ILE CD1 C 14.911 0.133 1 55 85 90 ILE HD1 H 1.131 0.0196 1 56 85 90 ILE CD1 C 12.699 0.133 1 57 87 92 ALA HB H 0.314 0.0196 1 58 87 92 ALA CB C 15.608 0.133 1 59 91 96 LEU HD2 H 0.846 0.0196 2 60 91 96 LEU CD2 C 22.424 0.133 2 61 93 98 ILE HD1 H 0.668 0.0196 1 62 93 98 ILE CD1 C 14.327 0.133 1 63 98 103 ALA HB H 1.488 0.0196 1 64 98 103 ALA CB C 18.01 0.133 1 65 101 106 ALA HB H 1.425 0.0196 1 66 101 106 ALA CB C 17.376 0.133 1 67 104 109 ALA HB H 1.62 0.0196 1 68 104 109 ALA CB C 19.179 0.133 1 69 107 112 LEU HD2 H 0.532 0.0196 2 70 107 112 LEU CD2 C 26.821 0.133 2 71 109 114 VAL HG2 H 1.098 0.0196 2 72 109 114 VAL CG2 C 21.694 0.133 2 73 110 115 LEU HD2 H 0.819 0.0196 2 74 110 115 LEU CD2 C 21.291 0.133 2 75 114 119 ALA HB H 1.367 0.0196 1 76 114 119 ALA CB C 18.617 0.133 1 77 118 123 VAL HG2 H 0.861 0.0196 2 78 118 123 VAL CG2 C 20.675 0.133 2 79 123 128 LEU HD2 H 0.861 0.0196 2 80 123 128 LEU CD2 C 26.575 0.133 2 81 124 129 ALA HB H 1.241 0.0196 1 82 124 129 ALA CB C 17.701 0.133 1 83 126 131 VAL HG2 H 0.99 0.0196 2 84 126 131 VAL CG2 C 23.251 0.133 2 85 127 132 ILE HD1 H 0.548 0.0196 1 86 127 132 ILE CD1 C 13.366 0.133 1 87 130 135 LEU HD2 H 1.02 0.0196 2 88 130 135 LEU CD2 C 23.766 0.133 2 89 136 141 VAL HG2 H 1.407 0.0196 2 90 136 141 VAL CG2 C 22.842 0.133 2 91 138 143 ALA HB H 1.587 0.0196 1 92 138 143 ALA CB C 17.169 0.133 1 93 148 153 LEU HD2 H 1.308 0.0196 2 94 148 153 LEU CD2 C 26.939 0.133 2 95 152 157 ALA HB H 1.574 0.0196 1 96 152 157 ALA CB C 19.028 0.133 1 97 156 161 LEU HD2 H 0.369 0.0196 2 98 156 161 LEU CD2 C 23.791 0.133 2 99 159 164 LEU HD2 H 0.762 0.0196 2 100 159 164 LEU CD2 C 24.728 0.133 2 101 168 173 ILE HD1 H 0.802 0.0196 1 102 168 173 ILE CD1 C 13.136 0.133 1 103 174 179 VAL HG2 H 0.475 0.0196 2 104 174 179 VAL CG2 C 23.105 0.133 2 105 175 180 LEU HD2 H 0.646 0.0196 2 106 175 180 LEU CD2 C 24.699 0.133 2 107 179 184 VAL HG2 H 0.94 0.0196 2 108 179 184 VAL CG2 C 19.153 0.133 2 109 185 190 VAL HG2 H 1.029 0.0196 2 110 185 190 VAL CG2 C 21.715 0.133 2 111 194 199 LEU HD2 H 0.665 0.0196 2 112 194 199 LEU CD2 C 23.341 0.133 2 113 201 206 VAL HG2 H 0.554 0.0196 2 114 201 206 VAL CG2 C 22.538 0.133 2 115 218 223 VAL HG2 H 1.099 0.0196 2 116 218 223 VAL CG2 C 24.797 0.133 2 117 220 225 ALA HB H 1.136 0.0196 1 118 220 225 ALA CB C 21.703 0.133 1 119 221 226 ILE HD1 H -0.036 0.0196 1 120 221 226 ILE CD1 C 12.254 0.133 1 121 222 227 ILE HD1 H 0.604 0.0196 1 122 222 227 ILE CD1 C 13.561 0.133 1 123 225 230 VAL HG2 H 0.515 0.0196 2 124 225 230 VAL CG2 C 22.032 0.133 2 125 226 231 ALA HB H 1.253 0.0196 1 126 226 231 ALA CB C 18.596 0.133 1 127 227 232 LEU HD2 H 0.452 0.0196 2 128 227 232 LEU CD2 C 23.931 0.133 2 129 232 237 LEU HD2 H 0.892 0.0196 2 130 232 237 LEU CD2 C 22.506 0.133 2 131 233 238 VAL HG2 H 0.924 0.0196 2 132 233 238 VAL CG2 C 20.675 0.133 2 133 234 239 LEU HD2 H 0.703 0.0196 2 134 234 239 LEU CD2 C 24.063 0.133 2 135 235 240 ALA HB H 1.387 0.0196 1 136 235 240 ALA CB C 18.569 0.133 1 137 249 254 LEU HD2 H 1.149 0.0196 2 138 249 254 LEU CD2 C 25.369 0.133 2 139 264 269 ILE HD1 H 0.585 0.0196 1 140 264 269 ILE CD1 C 11.354 0.133 1 141 265 270 ILE HD1 H 0.725 0.0196 1 142 265 270 ILE CD1 C 13.887 0.133 1 143 266 271 LEU HD2 H 0.308 0.0196 2 144 266 271 LEU CD2 C 25.219 0.133 2 145 268 273 LEU HD2 H 0.073 0.0196 2 146 268 273 LEU CD2 C 22.088 0.133 2 147 273 278 LEU HD2 H 0.89 0.0196 2 148 273 278 LEU CD2 C 21.343 0.133 2 149 278 283 ILE HD1 H 0.598 0.0196 1 150 278 283 ILE CD1 C 13.722 0.133 1 151 283 288 LEU HD2 H 0.025 0.0196 2 152 283 288 LEU CD2 C 24.061 0.133 2 153 285 290 ILE HD1 H 0.971 0.0196 1 154 285 290 ILE CD1 C 13.825 0.133 1 155 299 304 ALA HB H 1.522 0.0196 1 156 299 304 ALA CB C 19.668 0.133 1 157 300 305 ALA HB H 0.788 0.0196 1 158 300 305 ALA CB C 17.034 0.133 1 159 301 306 ALA HB H 1.544 0.0196 1 160 301 306 ALA CB C 17.928 0.133 1 161 303 308 ILE HD1 H 0.736 0.0196 1 162 303 308 ILE CD1 C 14.786 0.133 1 163 310 315 LEU HD2 H 0.757 0.0196 2 164 310 315 LEU CD2 C 21.749 0.133 2 165 319 324 ILE HD1 H 0.91 0.0196 1 166 319 324 ILE CD1 C 12.65 0.133 1 167 326 331 ALA HB H 1.733 0.0196 1 168 326 331 ALA CB C 17.742 0.133 1 169 332 337 VAL HG2 H 0.988 0.0196 2 170 332 337 VAL CG2 C 24.791 0.133 2 171 335 340 VAL HG2 H 0.868 0.0196 2 172 335 340 VAL CG2 C 22.337 0.133 2 173 338 343 ALA HB H 1.431 0.0196 1 174 338 343 ALA CB C 17.641 0.133 1 175 339 344 VAL HG2 H 0.856 0.0196 2 176 339 344 VAL CG2 C 23.111 0.133 2 177 342 347 VAL HG2 H 0.646 0.0196 2 178 342 347 VAL CG2 C 22.331 0.133 2 179 343 348 ILE HD1 H 0.707 0.0196 1 180 343 348 ILE CD1 C 14.256 0.133 1 181 344 349 ILE HD1 H 0.885 0.0196 1 182 344 349 ILE CD1 C 14.032 0.133 1 183 348 353 LEU HD2 H 0.822 0.0196 2 184 348 353 LEU CD2 C 23.082 0.133 2 185 353 358 LEU HD2 H 0.765 0.0196 2 186 353 358 LEU CD2 C 23.021 0.133 2 stop_ save_