data_26732 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Methyl 1H, 13C Chemical Shift Assignments for MAPK p38g ; _BMRB_accession_number 26732 _BMRB_flat_file_name bmr26732.str _Entry_type original _Submission_date 2016-01-15 _Accession_date 2016-01-15 _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 Aoto Phillip C. . 2 Wright Peter E. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 116 "13C chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-01-09 update BMRB 'update entry citation' 2016-07-14 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 26733 'Backbone Assignments for MAPK p38g' stop_ _Original_release_date 2016-07-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR Characterization of Information Flow and Allosteric Communities in the MAP Kinase p38\u03b3 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27353957 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Aoto Phillip C. . 2 Martin Bryan T. . 3 Wright Peter E. . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 6 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 28655 _Page_last 28655 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'p38g monomer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'p38g monomer' $MAPK_p38g stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_MAPK_p38g _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common MAPK_p38g _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 367 _Mol_residue_sequence ; MSSPPPARSGFYRQEVTKTA WEVRAVYRDLQPVGSGAYGA VCSAVDGRTGAKVAIKKLYR PFQSELFAKRAYRELRLLKH MRHENVIGLLDVFTPDETLD DFTDFYLVMPFMGTDLGKLM KHEKLGEDRIQFLVYQMLKG LRYIHAAGIIHRDLKPGNLA VNEDCELKILDFGLARQADS EMTGYVVTRWYRAPEVILNW MRYTQTVDIWSVGCIMAEMI TGKTLFKGSDHLDQLKEIMK VTGTPPAEFVQRLQSDEAKN YMKGLPELEKKDFASILTNA SPLAVNLLEKMLVLDAEQRV TAGEALAHPYFESLHDTEDE PQVQKYDDSFDDVDRTLDEW KRVTYKEVLSFKPPRQLGAR VSKETPL ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 SER 4 PRO 5 PRO 6 PRO 7 ALA 8 ARG 9 SER 10 GLY 11 PHE 12 TYR 13 ARG 14 GLN 15 GLU 16 VAL 17 THR 18 LYS 19 THR 20 ALA 21 TRP 22 GLU 23 VAL 24 ARG 25 ALA 26 VAL 27 TYR 28 ARG 29 ASP 30 LEU 31 GLN 32 PRO 33 VAL 34 GLY 35 SER 36 GLY 37 ALA 38 TYR 39 GLY 40 ALA 41 VAL 42 CYS 43 SER 44 ALA 45 VAL 46 ASP 47 GLY 48 ARG 49 THR 50 GLY 51 ALA 52 LYS 53 VAL 54 ALA 55 ILE 56 LYS 57 LYS 58 LEU 59 TYR 60 ARG 61 PRO 62 PHE 63 GLN 64 SER 65 GLU 66 LEU 67 PHE 68 ALA 69 LYS 70 ARG 71 ALA 72 TYR 73 ARG 74 GLU 75 LEU 76 ARG 77 LEU 78 LEU 79 LYS 80 HIS 81 MET 82 ARG 83 HIS 84 GLU 85 ASN 86 VAL 87 ILE 88 GLY 89 LEU 90 LEU 91 ASP 92 VAL 93 PHE 94 THR 95 PRO 96 ASP 97 GLU 98 THR 99 LEU 100 ASP 101 ASP 102 PHE 103 THR 104 ASP 105 PHE 106 TYR 107 LEU 108 VAL 109 MET 110 PRO 111 PHE 112 MET 113 GLY 114 THR 115 ASP 116 LEU 117 GLY 118 LYS 119 LEU 120 MET 121 LYS 122 HIS 123 GLU 124 LYS 125 LEU 126 GLY 127 GLU 128 ASP 129 ARG 130 ILE 131 GLN 132 PHE 133 LEU 134 VAL 135 TYR 136 GLN 137 MET 138 LEU 139 LYS 140 GLY 141 LEU 142 ARG 143 TYR 144 ILE 145 HIS 146 ALA 147 ALA 148 GLY 149 ILE 150 ILE 151 HIS 152 ARG 153 ASP 154 LEU 155 LYS 156 PRO 157 GLY 158 ASN 159 LEU 160 ALA 161 VAL 162 ASN 163 GLU 164 ASP 165 CYS 166 GLU 167 LEU 168 LYS 169 ILE 170 LEU 171 ASP 172 PHE 173 GLY 174 LEU 175 ALA 176 ARG 177 GLN 178 ALA 179 ASP 180 SER 181 GLU 182 MET 183 THR 184 GLY 185 TYR 186 VAL 187 VAL 188 THR 189 ARG 190 TRP 191 TYR 192 ARG 193 ALA 194 PRO 195 GLU 196 VAL 197 ILE 198 LEU 199 ASN 200 TRP 201 MET 202 ARG 203 TYR 204 THR 205 GLN 206 THR 207 VAL 208 ASP 209 ILE 210 TRP 211 SER 212 VAL 213 GLY 214 CYS 215 ILE 216 MET 217 ALA 218 GLU 219 MET 220 ILE 221 THR 222 GLY 223 LYS 224 THR 225 LEU 226 PHE 227 LYS 228 GLY 229 SER 230 ASP 231 HIS 232 LEU 233 ASP 234 GLN 235 LEU 236 LYS 237 GLU 238 ILE 239 MET 240 LYS 241 VAL 242 THR 243 GLY 244 THR 245 PRO 246 PRO 247 ALA 248 GLU 249 PHE 250 VAL 251 GLN 252 ARG 253 LEU 254 GLN 255 SER 256 ASP 257 GLU 258 ALA 259 LYS 260 ASN 261 TYR 262 MET 263 LYS 264 GLY 265 LEU 266 PRO 267 GLU 268 LEU 269 GLU 270 LYS 271 LYS 272 ASP 273 PHE 274 ALA 275 SER 276 ILE 277 LEU 278 THR 279 ASN 280 ALA 281 SER 282 PRO 283 LEU 284 ALA 285 VAL 286 ASN 287 LEU 288 LEU 289 GLU 290 LYS 291 MET 292 LEU 293 VAL 294 LEU 295 ASP 296 ALA 297 GLU 298 GLN 299 ARG 300 VAL 301 THR 302 ALA 303 GLY 304 GLU 305 ALA 306 LEU 307 ALA 308 HIS 309 PRO 310 TYR 311 PHE 312 GLU 313 SER 314 LEU 315 HIS 316 ASP 317 THR 318 GLU 319 ASP 320 GLU 321 PRO 322 GLN 323 VAL 324 GLN 325 LYS 326 TYR 327 ASP 328 ASP 329 SER 330 PHE 331 ASP 332 ASP 333 VAL 334 ASP 335 ARG 336 THR 337 LEU 338 ASP 339 GLU 340 TRP 341 LYS 342 ARG 343 VAL 344 THR 345 TYR 346 LYS 347 GLU 348 VAL 349 LEU 350 SER 351 PHE 352 LYS 353 PRO 354 PRO 355 ARG 356 GLN 357 LEU 358 GLY 359 ALA 360 ARG 361 VAL 362 SER 363 LYS 364 GLU 365 THR 366 PRO 367 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $MAPK_p38g 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 $MAPK_p38g 'recombinant technology' . Escherichia coli . pet15b 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 $MAPK_p38g 300 uM '[U-95% 13C]' HEPES 25 mM [U-2H] 'sodium chloride' 250 mM 'natural abundance' TCEP 1 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 $MAPK_p38g 400 uM '[U-100% 13C; U-100% 15N; U-80% 2H; 1H,13C methyls]' HEPES 25 mM [U-2H] 'sodium chloride' 250 mM 'natural abundance' TCEP 1 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-13C_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_HMCMCGCB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C HMCMCGCB' _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 'ionic strength' 0.250 . M pH 7.2 . 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 HSQC' '3D 1H-13C HMCMCGCB' stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'p38g monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 16 16 VAL HG1 H 0.6220 0.0000 2 2 16 16 VAL HG2 H 0.3260 0.0000 2 3 16 16 VAL CG1 C 21.6400 0.0000 2 4 16 16 VAL CG2 C 19.8430 0.0000 2 5 23 23 VAL HG1 H 1.0230 0.0000 2 6 23 23 VAL HG2 H 0.6950 0.0000 2 7 23 23 VAL CG1 C 22.7010 0.0000 2 8 23 23 VAL CG2 C 19.1120 0.0000 2 9 26 26 VAL HG1 H 0.4690 0.0000 2 10 26 26 VAL HG2 H 0.0970 0.0000 2 11 26 26 VAL CG1 C 20.4540 0.0000 2 12 26 26 VAL CG2 C 18.4260 0.0000 2 13 30 30 LEU HD1 H 0.6560 0.0000 2 14 30 30 LEU HD2 H 0.5400 0.0000 2 15 30 30 LEU CD1 C 25.1740 0.0000 2 16 30 30 LEU CD2 C 24.3440 0.0000 2 17 33 33 VAL HG1 H 0.9350 0.0000 2 18 33 33 VAL CG1 C 21.1530 0.0000 2 19 41 41 VAL HG1 H 0.6610 0.0000 2 20 41 41 VAL HG2 H 0.8670 0.0000 2 21 41 41 VAL CG1 C 20.5130 0.0000 2 22 41 41 VAL CG2 C 21.9270 0.0000 2 23 45 45 VAL HG1 H 0.9140 0.0000 2 24 45 45 VAL HG2 H 0.8850 0.0000 2 25 45 45 VAL CG1 C 21.9080 0.0000 2 26 45 45 VAL CG2 C 21.6800 0.0000 2 27 53 53 VAL HG1 H 0.8320 0.0000 2 28 53 53 VAL HG2 H 0.4960 0.0000 2 29 53 53 VAL CG1 C 22.3590 0.0000 2 30 53 53 VAL CG2 C 18.4680 0.0000 2 31 55 55 ILE HD1 H 0.3790 0.0000 1 32 55 55 ILE CD1 C 13.3050 0.0000 1 33 58 58 LEU HD1 H 0.4720 0.0000 2 34 58 58 LEU HD2 H 0.3400 0.0000 2 35 58 58 LEU CD1 C 24.1010 0.0000 2 36 58 58 LEU CD2 C 23.6320 0.0000 2 37 66 66 LEU HD2 H 0.8560 0.0000 2 38 66 66 LEU CD2 C 24.3480 0.0000 2 39 75 75 LEU HD1 H 0.3160 0.0000 2 40 75 75 LEU HD2 H 0.5350 0.0000 2 41 75 75 LEU CD1 C 24.2870 0.0000 2 42 75 75 LEU CD2 C 22.2590 0.0000 2 43 77 77 LEU HD1 H 0.0040 0.0000 2 44 77 77 LEU CD1 C 22.8740 0.0000 2 45 78 78 LEU HD2 H 0.5390 0.0000 2 46 78 78 LEU CD2 C 22.5650 0.0000 2 47 81 81 MET HE H 1.8430 0.0000 1 48 81 81 MET CE C 18.7180 0.0000 1 49 86 86 VAL HG2 H 0.8350 0.0000 2 50 86 86 VAL CG2 C 21.2830 0.0000 2 51 87 87 ILE HD1 H 1.0170 0.0000 1 52 87 87 ILE CD1 C 15.0600 0.0000 1 53 89 89 LEU HD2 H 0.7260 0.0000 2 54 89 89 LEU CD2 C 25.2300 0.0000 2 55 90 90 LEU HD1 H 0.9190 0.0000 2 56 90 90 LEU CD1 C 24.4220 0.0000 2 57 92 92 VAL HG1 H 0.9090 0.0000 2 58 92 92 VAL CG1 C 20.3800 0.0000 2 59 107 107 LEU HD1 H 0.6330 0.0000 2 60 107 107 LEU HD2 H 0.8250 0.0000 2 61 107 107 LEU CD1 C 23.1110 0.0000 2 62 107 107 LEU CD2 C 25.8310 0.0000 2 63 109 109 MET HE H 1.9110 0.0000 1 64 109 109 MET CE C 17.1650 0.0000 1 65 112 112 MET HE H 1.7390 0.0000 1 66 112 112 MET CE C 17.7470 0.0000 1 67 116 116 LEU HD1 H 0.9660 0.0000 2 68 116 116 LEU HD2 H 0.7700 0.0000 2 69 116 116 LEU CD1 C 24.9640 0.0000 2 70 116 116 LEU CD2 C 25.2070 0.0000 2 71 119 119 LEU HD1 H 0.6530 0.0000 2 72 119 119 LEU HD2 H 0.5400 0.0000 2 73 119 119 LEU CD1 C 25.0300 0.0000 2 74 119 119 LEU CD2 C 24.4430 0.0000 2 75 120 120 MET HE H 1.9050 0.0000 1 76 120 120 MET CE C 16.1040 0.0000 1 77 125 125 LEU HD1 H 0.8300 0.0000 2 78 125 125 LEU CD1 C 26.2560 0.0000 2 79 130 130 ILE HD1 H 0.7180 0.0000 1 80 130 130 ILE CD1 C 13.8850 0.0000 1 81 134 134 VAL HG2 H 0.9090 0.0000 2 82 134 134 VAL CG2 C 20.2610 0.0000 2 83 137 137 MET HE H 1.7940 0.0000 1 84 137 137 MET CE C 17.5050 0.0000 1 85 141 141 LEU HD1 H 0.5270 0.0000 2 86 141 141 LEU CD1 C 25.7650 0.0000 2 87 144 144 ILE HD1 H 0.6680 0.0000 1 88 144 144 ILE CD1 C 14.5270 0.0000 1 89 149 149 ILE HD1 H 0.5890 0.0000 1 90 149 149 ILE CD1 C 11.6550 0.0000 1 91 150 150 ILE HD1 H 0.8100 0.0000 1 92 150 150 ILE CD1 C 13.7290 0.0000 1 93 154 154 LEU HD2 H 0.8120 0.0000 2 94 154 154 LEU CD2 C 27.0650 0.0000 2 95 159 159 LEU HD1 H 0.8220 0.0000 2 96 159 159 LEU CD1 C 27.9970 0.0000 2 97 161 161 VAL HG1 H 0.8300 0.0000 2 98 161 161 VAL HG2 H 0.6190 0.0000 2 99 161 161 VAL CG1 C 22.4810 0.0000 2 100 161 161 VAL CG2 C 20.8530 0.0000 2 101 167 167 LEU HD1 H 0.8300 0.0000 2 102 167 167 LEU HD2 H 0.5610 0.0000 2 103 167 167 LEU CD1 C 28.0360 0.0000 2 104 167 167 LEU CD2 C 24.3550 0.0000 2 105 169 169 ILE HD1 H 0.8320 0.0000 1 106 169 169 ILE CD1 C 14.0150 0.0000 1 107 170 170 LEU HD1 H 0.8320 0.0000 2 108 170 170 LEU HD2 H 0.8720 0.0000 2 109 170 170 LEU CD1 C 24.1270 0.0000 2 110 170 170 LEU CD2 C 25.7690 0.0000 2 111 174 174 LEU HD1 H 0.5170 0.0000 2 112 174 174 LEU CD1 C 26.7120 0.0000 2 113 182 182 MET HE H 1.9510 0.0000 1 114 182 182 MET CE C 17.1240 0.0000 1 115 186 186 VAL HG1 H 0.8000 0.0000 2 116 186 186 VAL HG2 H 0.9170 0.0000 2 117 186 186 VAL CG1 C 21.0080 0.0000 2 118 186 186 VAL CG2 C 21.0450 0.0000 2 119 187 187 VAL HG1 H 0.8120 0.0000 2 120 187 187 VAL HG2 H 0.8940 0.0000 2 121 187 187 VAL CG1 C 20.9720 0.0000 2 122 187 187 VAL CG2 C 20.6930 0.0000 2 123 197 197 ILE HD1 H 0.6740 0.0000 1 124 197 197 ILE CD1 C 13.8130 0.0000 1 125 198 198 LEU HD1 H 0.7610 0.0000 2 126 198 198 LEU CD1 C 24.6720 0.0000 2 127 209 209 ILE HD1 H 0.6670 0.0000 1 128 209 209 ILE CD1 C 8.5200 0.0000 1 129 212 212 VAL HG1 H 1.1930 0.0000 2 130 212 212 VAL HG2 H 1.1460 0.0000 2 131 212 212 VAL CG1 C 21.8880 0.0000 2 132 212 212 VAL CG2 C 23.1100 0.0000 2 133 215 215 ILE HD1 H 0.2760 0.0000 1 134 215 215 ILE CD1 C 13.1160 0.0000 1 135 216 216 MET HE H 1.5320 0.0000 1 136 216 216 MET CE C 18.3460 0.0000 1 137 219 219 MET HE H 2.0140 0.0000 1 138 219 219 MET CE C 19.0890 0.0000 1 139 220 220 ILE HD1 H 0.7270 0.0000 1 140 220 220 ILE CD1 C 14.8300 0.0000 1 141 225 225 LEU HD1 H 0.3620 0.0000 2 142 225 225 LEU HD2 H 0.1910 0.0000 2 143 225 225 LEU CD1 C 22.4290 0.0000 2 144 225 225 LEU CD2 C 27.5510 0.0000 2 145 238 238 ILE HD1 H 0.5880 0.0000 1 146 238 238 ILE CD1 C 13.7490 0.0000 1 147 239 239 MET HE H 2.0130 0.0000 1 148 239 239 MET CE C 17.5200 0.0000 1 149 241 241 VAL HG1 H 0.7660 0.0000 2 150 241 241 VAL HG2 H 1.0620 0.0000 2 151 241 241 VAL CG1 C 21.8520 0.0000 2 152 241 241 VAL CG2 C 23.1000 0.0000 2 153 250 250 VAL HG1 H 0.9410 0.0000 2 154 250 250 VAL HG2 H 1.0370 0.0000 2 155 250 250 VAL CG1 C 21.9050 0.0000 2 156 250 250 VAL CG2 C 23.3480 0.0000 2 157 253 253 LEU HD1 H 0.6910 0.0000 2 158 253 253 LEU CD1 C 23.2500 0.0000 2 159 262 262 MET HE H 2.0740 0.0000 1 160 262 262 MET CE C 17.5970 0.0000 1 161 265 265 LEU HD2 H 0.7000 0.0000 2 162 268 268 LEU HD2 H 0.7800 0.0000 2 163 268 268 LEU CD2 C 25.8670 0.0000 2 164 276 276 ILE HD1 H 0.5820 0.0000 1 165 276 276 ILE CD1 C 13.7540 0.0000 1 166 277 277 LEU HD1 H 0.7560 0.0000 2 167 277 277 LEU HD2 H 0.6640 0.0000 2 168 277 277 LEU CD1 C 27.4010 0.0000 2 169 277 277 LEU CD2 C 24.0280 0.0000 2 170 283 283 LEU HD2 H 0.3740 0.0000 2 171 283 283 LEU CD2 C 24.8380 0.0000 2 172 285 285 VAL HG1 H 0.9170 0.0000 2 173 285 285 VAL HG2 H 0.9740 0.0000 2 174 285 285 VAL CG1 C 22.4260 0.0000 2 175 285 285 VAL CG2 C 24.0000 0.0000 2 176 287 287 LEU HD1 H 0.7430 0.0000 2 177 287 287 LEU HD2 H 0.4960 0.0000 2 178 287 287 LEU CD1 C 22.0750 0.0000 2 179 287 287 LEU CD2 C 27.5310 0.0000 2 180 288 288 LEU HD1 H 0.3940 0.0000 2 181 288 288 LEU HD2 H -0.1970 0.0000 2 182 288 288 LEU CD1 C 26.1580 0.0000 2 183 288 288 LEU CD2 C 23.1450 0.0000 2 184 291 291 MET HE H 1.9120 0.0000 1 185 291 291 MET CE C 18.3040 0.0000 1 186 292 292 LEU HD1 H 0.6680 0.0000 2 187 292 292 LEU HD2 H 0.7730 0.0000 2 188 292 292 LEU CD1 C 26.9040 0.0000 2 189 292 292 LEU CD2 C 22.4890 0.0000 2 190 293 293 VAL HG1 H 1.0810 0.0000 2 191 293 293 VAL HG2 H 0.9030 0.0000 2 192 293 293 VAL CG1 C 22.5180 0.0000 2 193 293 293 VAL CG2 C 19.9450 0.0000 2 194 294 294 LEU HD1 H 0.6020 0.0000 2 195 294 294 LEU HD2 H 0.3640 0.0000 2 196 294 294 LEU CD1 C 24.5410 0.0000 2 197 294 294 LEU CD2 C 21.6570 0.0000 2 198 300 300 VAL HG1 H 0.8610 0.0000 2 199 300 300 VAL HG2 H 0.7870 0.0000 2 200 300 300 VAL CG1 C 20.5150 0.0000 2 201 300 300 VAL CG2 C 21.0230 0.0000 2 202 314 314 LEU CD2 C 22.8950 0.0000 2 203 323 323 VAL HG1 H 0.4600 0.0000 2 204 323 323 VAL HG2 H 1.0580 0.0000 2 205 323 323 VAL CG1 C 19.3950 0.0000 2 206 323 323 VAL CG2 C 23.1870 0.0000 2 207 333 333 VAL HG1 H 0.8390 0.0000 2 208 333 333 VAL HG2 H 0.8920 0.0000 2 209 333 333 VAL CG1 C 21.1510 0.0000 2 210 333 333 VAL CG2 C 20.9630 0.0000 2 211 337 337 LEU HD1 H 0.9910 0.0000 2 212 337 337 LEU HD2 H 0.9200 0.0000 2 213 337 337 LEU CD1 C 23.9840 0.0000 2 214 337 337 LEU CD2 C 23.4430 0.0000 2 215 343 343 VAL HG1 H 0.9030 0.0000 2 216 343 343 VAL HG2 H 0.8720 0.0000 2 217 343 343 VAL CG1 C 22.0320 0.0000 2 218 343 343 VAL CG2 C 19.8070 0.0000 2 219 348 348 VAL HG2 H 0.5480 0.0000 2 220 348 348 VAL CG2 C 22.7430 0.0000 2 221 357 357 LEU HD1 H 0.8850 0.0000 2 222 357 357 LEU HD2 H 0.8320 0.0000 2 223 357 357 LEU CD1 C 24.8440 0.0000 2 224 357 357 LEU CD2 C 23.4130 0.0000 2 225 361 361 VAL HG1 H 0.9760 0.0000 2 226 361 361 VAL HG2 H 0.9380 0.0000 2 227 361 361 VAL CG1 C 21.1250 0.0000 2 228 361 361 VAL CG2 C 20.5280 0.0000 2 229 367 367 LEU HD1 H 0.9170 0.0000 2 230 367 367 LEU HD2 H 0.8820 0.0000 2 231 367 367 LEU CD1 C 25.1380 0.0000 2 232 367 367 LEU CD2 C 23.5640 0.0000 2 stop_ save_