data_16273 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; A PH domain within OCRL bridges clathrin mediated membrane trafficking to phosphoinositide metabolism ; _BMRB_accession_number 16273 _BMRB_flat_file_name bmr16273.str _Entry_type original _Submission_date 2009-05-03 _Accession_date 2009-05-03 _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 Mao Yuxin . . 2 Hodsdon Micheal E. . 3 'De Camilli' Pietro . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 919 "13C chemical shifts" 674 "15N chemical shifts" 163 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-28 update BMRB 'edit entity/assembly name' 2009-07-13 update BMRB 'complete entry citation' 2009-06-25 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'A PH domain within OCRL bridges clathrin-mediated membrane trafficking to phosphoinositide metabolism' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19536138 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mao Yuxin . . 2 Balkin Daniel M. . 3 Zoncu Roberto . . 4 Erdmann Kai S. . 5 Tomasini Livia . . 6 Hu Fenghua . . 7 Jin Moonsoo M. . 8 Hodsdon Michael E. . 9 'De Camilli' Pietro . . stop_ _Journal_abbreviation 'EMBO J.' _Journal_volume 28 _Journal_issue 13 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1831 _Page_last 1842 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'OCRL bridges clathrin-mediated membrane' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PH domain' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PH domain' _Molecular_mass 53980.047 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 483 _Mol_residue_sequence ; GPLGSMDQSVAIQETLVEGE YCVIAVQGVLCKGDSRQSRL LGLVRYRLENDAQEHALFLY THRRMAITGDDVSLDQIVPL SKDFMLEEVSPDGELYILGS DVTVQLNTAELKLVFQLPFG SHTRTFLQEVARACPGFDPE TRDPEFEWLSRHTCAEPDAE SGPLGSMDQSVAIQETLVEG EYCVIAVQGVLCKGDSRQSR LLGLVRYRLENDAQEHALFL YTHRRMAITGDDVSLDQIVP LSKDFMLEEVSPDGELYILG SDVTVQLNTAELKLVFQLPF GSHTRTFLQEVARACPGFDP ETRDPEFEWLSRHTCAEPDA ESGPLGSMDQSVAIQETLVE GEYCVIAVQGVLCKGDSRQS RLLGLVRYRLENDAQEHALF LYTHRRMAITGDDVSLDQIV PLSKDFMLEEVSPDGELYIL GSDVTVQLNTAELKLVFQLP FGSHTRTFLQEVARACPGFD PETRDPEFEWLSRHTCAEPD AES ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 PRO 3 LEU 4 GLY 5 SER 6 MET 7 ASP 8 GLN 9 SER 10 VAL 11 ALA 12 ILE 13 GLN 14 GLU 15 THR 16 LEU 17 VAL 18 GLU 19 GLY 20 GLU 21 TYR 22 CYS 23 VAL 24 ILE 25 ALA 26 VAL 27 GLN 28 GLY 29 VAL 30 LEU 31 CYS 32 LYS 33 GLY 34 ASP 35 SER 36 ARG 37 GLN 38 SER 39 ARG 40 LEU 41 LEU 42 GLY 43 LEU 44 VAL 45 ARG 46 TYR 47 ARG 48 LEU 49 GLU 50 ASN 51 ASP 52 ALA 53 GLN 54 GLU 55 HIS 56 ALA 57 LEU 58 PHE 59 LEU 60 TYR 61 THR 62 HIS 63 ARG 64 ARG 65 MET 66 ALA 67 ILE 68 THR 69 GLY 70 ASP 71 ASP 72 VAL 73 SER 74 LEU 75 ASP 76 GLN 77 ILE 78 VAL 79 PRO 80 LEU 81 SER 82 LYS 83 ASP 84 PHE 85 MET 86 LEU 87 GLU 88 GLU 89 VAL 90 SER 91 PRO 92 ASP 93 GLY 94 GLU 95 LEU 96 TYR 97 ILE 98 LEU 99 GLY 100 SER 101 ASP 102 VAL 103 THR 104 VAL 105 GLN 106 LEU 107 ASN 108 THR 109 ALA 110 GLU 111 LEU 112 LYS 113 LEU 114 VAL 115 PHE 116 GLN 117 LEU 118 PRO 119 PHE 120 GLY 121 SER 122 HIS 123 THR 124 ARG 125 THR 126 PHE 127 LEU 128 GLN 129 GLU 130 VAL 131 ALA 132 ARG 133 ALA 134 CYS 135 PRO 136 GLY 137 PHE 138 ASP 139 PRO 140 GLU 141 THR 142 ARG 143 ASP 144 PRO 145 GLU 146 PHE 147 GLU 148 TRP 149 LEU 150 SER 151 ARG 152 HIS 153 THR 154 CYS 155 ALA 156 GLU 157 PRO 158 ASP 159 ALA 160 GLU 161 SER 162 GLY 163 PRO 164 LEU 165 GLY 166 SER 167 MET 168 ASP 169 GLN 170 SER 171 VAL 172 ALA 173 ILE 174 GLN 175 GLU 176 THR 177 LEU 178 VAL 179 GLU 180 GLY 181 GLU 182 TYR 183 CYS 184 VAL 185 ILE 186 ALA 187 VAL 188 GLN 189 GLY 190 VAL 191 LEU 192 CYS 193 LYS 194 GLY 195 ASP 196 SER 197 ARG 198 GLN 199 SER 200 ARG 201 LEU 202 LEU 203 GLY 204 LEU 205 VAL 206 ARG 207 TYR 208 ARG 209 LEU 210 GLU 211 ASN 212 ASP 213 ALA 214 GLN 215 GLU 216 HIS 217 ALA 218 LEU 219 PHE 220 LEU 221 TYR 222 THR 223 HIS 224 ARG 225 ARG 226 MET 227 ALA 228 ILE 229 THR 230 GLY 231 ASP 232 ASP 233 VAL 234 SER 235 LEU 236 ASP 237 GLN 238 ILE 239 VAL 240 PRO 241 LEU 242 SER 243 LYS 244 ASP 245 PHE 246 MET 247 LEU 248 GLU 249 GLU 250 VAL 251 SER 252 PRO 253 ASP 254 GLY 255 GLU 256 LEU 257 TYR 258 ILE 259 LEU 260 GLY 261 SER 262 ASP 263 VAL 264 THR 265 VAL 266 GLN 267 LEU 268 ASN 269 THR 270 ALA 271 GLU 272 LEU 273 LYS 274 LEU 275 VAL 276 PHE 277 GLN 278 LEU 279 PRO 280 PHE 281 GLY 282 SER 283 HIS 284 THR 285 ARG 286 THR 287 PHE 288 LEU 289 GLN 290 GLU 291 VAL 292 ALA 293 ARG 294 ALA 295 CYS 296 PRO 297 GLY 298 PHE 299 ASP 300 PRO 301 GLU 302 THR 303 ARG 304 ASP 305 PRO 306 GLU 307 PHE 308 GLU 309 TRP 310 LEU 311 SER 312 ARG 313 HIS 314 THR 315 CYS 316 ALA 317 GLU 318 PRO 319 ASP 320 ALA 321 GLU 322 SER 323 GLY 324 PRO 325 LEU 326 GLY 327 SER 328 MET 329 ASP 330 GLN 331 SER 332 VAL 333 ALA 334 ILE 335 GLN 336 GLU 337 THR 338 LEU 339 VAL 340 GLU 341 GLY 342 GLU 343 TYR 344 CYS 345 VAL 346 ILE 347 ALA 348 VAL 349 GLN 350 GLY 351 VAL 352 LEU 353 CYS 354 LYS 355 GLY 356 ASP 357 SER 358 ARG 359 GLN 360 SER 361 ARG 362 LEU 363 LEU 364 GLY 365 LEU 366 VAL 367 ARG 368 TYR 369 ARG 370 LEU 371 GLU 372 ASN 373 ASP 374 ALA 375 GLN 376 GLU 377 HIS 378 ALA 379 LEU 380 PHE 381 LEU 382 TYR 383 THR 384 HIS 385 ARG 386 ARG 387 MET 388 ALA 389 ILE 390 THR 391 GLY 392 ASP 393 ASP 394 VAL 395 SER 396 LEU 397 ASP 398 GLN 399 ILE 400 VAL 401 PRO 402 LEU 403 SER 404 LYS 405 ASP 406 PHE 407 MET 408 LEU 409 GLU 410 GLU 411 VAL 412 SER 413 PRO 414 ASP 415 GLY 416 GLU 417 LEU 418 TYR 419 ILE 420 LEU 421 GLY 422 SER 423 ASP 424 VAL 425 THR 426 VAL 427 GLN 428 LEU 429 ASN 430 THR 431 ALA 432 GLU 433 LEU 434 LYS 435 LEU 436 VAL 437 PHE 438 GLN 439 LEU 440 PRO 441 PHE 442 GLY 443 SER 444 HIS 445 THR 446 ARG 447 THR 448 PHE 449 LEU 450 GLN 451 GLU 452 VAL 453 ALA 454 ARG 455 ALA 456 CYS 457 PRO 458 GLY 459 PHE 460 ASP 461 PRO 462 GLU 463 THR 464 ARG 465 ASP 466 PRO 467 GLU 468 PHE 469 GLU 470 TRP 471 LEU 472 SER 473 ARG 474 HIS 475 THR 476 CYS 477 ALA 478 GLU 479 PRO 480 ASP 481 ALA 482 GLU 483 SER 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 $entity Mouse 10090 Eukaryota Metazoa Mus musculus 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 $entity 'recombinant technology' . Escherichia coli . pGEX6p-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 $entity . mM . 'potassium phosphate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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 pH 6.4 . pH pressure 1.0 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl carbon' ppm 0 internal direct . . . 1.00000000 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 HSQC' '3D HNCO' '3D HNCA' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HN(CO)CA' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY' 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 'PH domain' _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 1 1 GLY HA2 H 3.894 0.005 . 2 1 1 GLY HA3 H 3.528 0.002 . 3 1 1 GLY CA C 43.108 0.002 . 4 2 2 PRO HA H 4.455 0.005 . 5 2 2 PRO HB2 H 1.932 0.007 . 6 2 2 PRO HB3 H 2.286 0.006 . 7 2 2 PRO HD2 H 3.551 0.007 . 8 2 2 PRO HD3 H 3.551 0.007 . 9 2 2 PRO HG2 H 1.995 0.006 . 10 2 2 PRO HG3 H 1.995 0.006 . 11 2 2 PRO C C 177.007 0.007 . 12 2 2 PRO CA C 63.216 0.051 . 13 2 2 PRO CB C 32.333 0.040 . 14 2 2 PRO CD C 49.694 0.005 . 15 2 2 PRO CG C 27.199 0.064 . 16 3 3 LEU H H 8.543 0.006 . 17 3 3 LEU HA H 4.332 0.009 . 18 3 3 LEU HB2 H 1.650 0.009 . 19 3 3 LEU HB3 H 1.577 0.008 . 20 3 3 LEU HD1 H 0.856 0.006 . 21 3 3 LEU HD2 H 0.890 0.005 . 22 3 3 LEU HG H 1.634 0.009 . 23 3 3 LEU C C 177.866 0.024 . 24 3 3 LEU CA C 55.444 0.015 . 25 3 3 LEU CB C 42.328 0.032 . 26 3 3 LEU CD1 C 23.548 0.063 . 27 3 3 LEU CD2 C 25.009 0.002 . 28 3 3 LEU CG C 27.131 0.002 . 29 3 3 LEU N N 122.092 0.023 . 30 4 4 GLY H H 8.396 0.003 . 31 4 4 GLY HA2 H 3.938 0.009 . 32 4 4 GLY HA3 H 3.938 0.009 . 33 4 4 GLY C C 174.180 0.000 . 34 4 4 GLY CA C 45.353 0.026 . 35 4 4 GLY N N 109.601 0.014 . 36 5 5 SER H H 8.146 0.005 . 37 5 5 SER HA H 4.383 0.008 . 38 5 5 SER HB2 H 3.825 0.003 . 39 5 5 SER HB3 H 3.825 0.003 . 40 5 5 SER C C 173.888 0.045 . 41 5 5 SER CA C 58.432 0.036 . 42 5 5 SER CB C 63.839 0.046 . 43 5 5 SER N N 115.404 0.017 . 44 6 6 MET H H 8.317 0.005 . 45 6 6 MET HA H 4.430 0.008 . 46 6 6 MET HB2 H 2.016 0.006 . 47 6 6 MET HB3 H 1.906 0.001 . 48 6 6 MET HG2 H 2.447 0.006 . 49 6 6 MET HG3 H 2.531 0.003 . 50 6 6 MET C C 175.681 0.007 . 51 6 6 MET CA C 55.576 0.041 . 52 6 6 MET CB C 32.777 0.072 . 53 6 6 MET CG C 32.211 0.018 . 54 6 6 MET N N 121.570 0.061 . 55 7 7 ASP H H 8.083 0.007 . 56 7 7 ASP HA H 4.570 0.006 . 57 7 7 ASP HB2 H 2.538 0.008 . 58 7 7 ASP HB3 H 2.751 0.007 . 59 7 7 ASP C C 172.067 0.000 . 60 7 7 ASP CA C 54.269 0.060 . 61 7 7 ASP CB C 41.484 0.034 . 62 7 7 ASP N N 121.010 0.040 . 63 8 8 GLN H H 8.391 0.006 . 64 8 8 GLN HA H 4.220 0.006 . 65 8 8 GLN HB2 H 1.644 0.006 . 66 8 8 GLN HB3 H 2.030 0.003 . 67 8 8 GLN HE21 H 7.242 0.003 . 68 8 8 GLN HE22 H 6.605 0.002 . 69 8 8 GLN HG2 H 2.224 0.006 . 70 8 8 GLN HG3 H 2.224 0.006 . 71 8 8 GLN C C 176.072 0.012 . 72 8 8 GLN CA C 57.322 0.072 . 73 8 8 GLN CB C 28.237 0.040 . 74 8 8 GLN CG C 34.258 0.029 . 75 8 8 GLN N N 122.791 0.072 . 76 8 8 GLN NE2 N 110.888 0.028 . 77 9 9 SER H H 8.387 0.004 . 78 9 9 SER HA H 3.923 0.004 . 79 9 9 SER HB2 H 3.762 0.003 . 80 9 9 SER HB3 H 3.801 0.005 . 81 9 9 SER C C 175.537 0.014 . 82 9 9 SER CA C 61.709 0.043 . 83 9 9 SER CB C 62.960 0.120 . 84 9 9 SER N N 114.743 0.049 . 85 10 10 VAL H H 7.505 0.004 . 86 10 10 VAL HA H 3.595 0.006 . 87 10 10 VAL HB H 2.022 0.004 . 88 10 10 VAL HG1 H 0.981 0.003 . 89 10 10 VAL HG2 H 0.908 0.003 . 90 10 10 VAL C C 177.565 0.019 . 91 10 10 VAL CA C 66.137 0.029 . 92 10 10 VAL CB C 31.529 0.037 . 93 10 10 VAL CG1 C 22.403 0.025 . 94 10 10 VAL CG2 C 21.091 0.003 . 95 10 10 VAL N N 122.642 0.041 . 96 11 11 ALA H H 7.392 0.006 . 97 11 11 ALA HA H 3.720 0.015 . 98 11 11 ALA HB H 1.005 0.011 . 99 11 11 ALA C C 179.065 0.070 . 100 11 11 ALA CA C 54.823 0.069 . 101 11 11 ALA CB C 17.803 0.041 . 102 11 11 ALA N N 121.184 0.078 . 103 12 12 ILE H H 6.873 0.014 . 104 12 12 ILE HA H 3.033 0.010 . 105 12 12 ILE HB H 1.608 0.007 . 106 12 12 ILE HD1 H 0.408 0.005 . 107 12 12 ILE HG12 H -0.082 0.011 . 108 12 12 ILE HG13 H 1.140 0.005 . 109 12 12 ILE HG2 H 0.657 0.006 . 110 12 12 ILE C C 179.662 0.028 . 111 12 12 ILE CA C 64.707 0.063 . 112 12 12 ILE CB C 37.685 0.090 . 113 12 12 ILE CD1 C 13.732 0.033 . 114 12 12 ILE CG1 C 27.841 0.056 . 115 12 12 ILE CG2 C 15.819 0.056 . 116 12 12 ILE N N 113.141 0.110 . 117 13 13 GLN H H 8.844 0.010 . 118 13 13 GLN HA H 3.585 0.012 . 119 13 13 GLN HB2 H 1.984 0.003 . 120 13 13 GLN HB3 H 1.984 0.003 . 121 13 13 GLN HE21 H 7.131 0.005 . 122 13 13 GLN HE22 H 7.601 0.008 . 123 13 13 GLN HG2 H 2.342 0.010 . 124 13 13 GLN HG3 H 2.125 0.006 . 125 13 13 GLN C C 177.751 0.002 . 126 13 13 GLN CA C 58.680 0.027 . 127 13 13 GLN CB C 28.358 0.065 . 128 13 13 GLN CG C 34.573 0.038 . 129 13 13 GLN N N 122.833 0.034 . 130 13 13 GLN NE2 N 116.287 0.056 . 131 14 14 GLU H H 7.520 0.004 . 132 14 14 GLU HA H 4.143 0.006 . 133 14 14 GLU HB2 H 2.173 0.004 . 134 14 14 GLU HB3 H 2.095 0.002 . 135 14 14 GLU HG2 H 2.637 0.009 . 136 14 14 GLU HG3 H 2.315 0.004 . 137 14 14 GLU C C 177.406 0.020 . 138 14 14 GLU CA C 59.032 0.074 . 139 14 14 GLU CB C 29.962 0.041 . 140 14 14 GLU CG C 36.729 0.052 . 141 14 14 GLU N N 115.595 0.035 . 142 15 15 THR H H 8.024 0.008 . 143 15 15 THR HA H 4.611 0.000 . 144 15 15 THR HB H 4.671 0.001 . 145 15 15 THR HG1 H 5.720 0.001 . 146 15 15 THR HG2 H 1.360 0.004 . 147 15 15 THR C C 174.651 0.017 . 148 15 15 THR CA C 62.089 0.050 . 149 15 15 THR CB C 70.971 0.007 . 150 15 15 THR CG2 C 22.168 0.016 . 151 15 15 THR N N 108.506 0.030 . 152 16 16 LEU H H 7.324 0.003 . 153 16 16 LEU HA H 4.729 0.006 . 154 16 16 LEU HB2 H 2.150 0.005 . 155 16 16 LEU HB3 H 1.873 0.008 . 156 16 16 LEU HD1 H 0.534 0.004 . 157 16 16 LEU HD2 H 0.648 0.003 . 158 16 16 LEU HG H 1.991 0.007 . 159 16 16 LEU C C 177.350 0.002 . 160 16 16 LEU CA C 54.522 0.056 . 161 16 16 LEU CB C 40.305 0.036 . 162 16 16 LEU CD1 C 27.059 0.042 . 163 16 16 LEU CD2 C 21.678 0.047 . 164 16 16 LEU CG C 25.861 0.011 . 165 16 16 LEU N N 122.922 0.041 . 166 17 17 VAL H H 8.418 0.004 . 167 17 17 VAL HA H 4.644 0.007 . 168 17 17 VAL HB H 2.293 0.005 . 169 17 17 VAL HG1 H 0.808 0.005 . 170 17 17 VAL HG2 H 0.916 0.007 . 171 17 17 VAL C C 175.849 0.018 . 172 17 17 VAL CA C 60.141 0.058 . 173 17 17 VAL CB C 33.158 0.026 . 174 17 17 VAL CG1 C 19.009 0.017 . 175 17 17 VAL CG2 C 21.684 0.032 . 176 17 17 VAL N N 114.816 0.033 . 177 18 18 GLU H H 8.259 0.007 . 178 18 18 GLU HA H 4.006 0.006 . 179 18 18 GLU HB2 H 2.052 0.005 . 180 18 18 GLU HB3 H 1.972 0.008 . 181 18 18 GLU HG2 H 2.296 0.007 . 182 18 18 GLU HG3 H 2.296 0.007 . 183 18 18 GLU C C 176.864 0.009 . 184 18 18 GLU CA C 58.930 0.021 . 185 18 18 GLU CB C 29.660 0.023 . 186 18 18 GLU CG C 35.980 0.020 . 187 18 18 GLU N N 120.673 0.042 . 188 19 19 GLY H H 8.638 0.004 . 189 19 19 GLY HA2 H 3.485 0.006 . 190 19 19 GLY HA3 H 4.260 0.006 . 191 19 19 GLY C C 173.709 0.001 . 192 19 19 GLY CA C 45.182 0.026 . 193 19 19 GLY N N 112.940 0.043 . 194 20 20 GLU H H 7.975 0.012 . 195 20 20 GLU HA H 4.865 0.007 . 196 20 20 GLU HB2 H 1.566 0.013 . 197 20 20 GLU HB3 H 2.686 0.014 . 198 20 20 GLU HG2 H 2.178 0.002 . 199 20 20 GLU HG3 H 2.284 0.001 . 200 20 20 GLU C C 176.603 0.012 . 201 20 20 GLU CA C 54.809 0.031 . 202 20 20 GLU CB C 32.325 0.071 . 203 20 20 GLU N N 118.378 0.048 . 204 21 21 TYR H H 8.915 0.005 . 205 21 21 TYR HA H 4.975 0.009 . 206 21 21 TYR HB2 H 2.843 0.009 . 207 21 21 TYR HB3 H 2.666 0.008 . 208 21 21 TYR HD1 H 6.839 0.006 . 209 21 21 TYR HD2 H 6.839 0.006 . 210 21 21 TYR HE1 H 6.699 0.007 . 211 21 21 TYR HE2 H 6.699 0.007 . 212 21 21 TYR C C 173.638 0.003 . 213 21 21 TYR CA C 56.181 0.049 . 214 21 21 TYR CB C 42.592 0.039 . 215 21 21 TYR CD1 C 132.845 0.058 . 216 21 21 TYR CE1 C 118.510 0.033 . 217 21 21 TYR CE2 C 118.639 0.000 . 218 21 21 TYR N N 122.757 0.047 . 219 22 22 CYS H H 8.735 0.005 . 220 22 22 CYS HA H 4.557 0.005 . 221 22 22 CYS HB2 H 2.157 0.006 . 222 22 22 CYS HB3 H 2.828 0.010 . 223 22 22 CYS C C 172.116 0.011 . 224 22 22 CYS CA C 58.224 0.039 . 225 22 22 CYS CB C 25.909 0.290 . 226 22 22 CYS N N 127.323 0.064 . 227 23 23 VAL H H 9.056 0.008 . 228 23 23 VAL HA H 3.377 0.007 . 229 23 23 VAL HB H 1.815 0.009 . 230 23 23 VAL HG1 H 1.131 0.006 . 231 23 23 VAL HG2 H 0.945 0.005 . 232 23 23 VAL C C 175.899 0.011 . 233 23 23 VAL CA C 65.276 0.057 . 234 23 23 VAL CB C 34.222 0.038 . 235 23 23 VAL CG1 C 22.524 0.061 . 236 23 23 VAL CG2 C 20.542 0.047 . 237 23 23 VAL N N 131.481 0.035 . 238 24 24 ILE H H 7.233 0.005 . 239 24 24 ILE HA H 4.421 0.012 . 240 24 24 ILE HB H 2.305 0.005 . 241 24 24 ILE HD1 H 0.711 0.003 . 242 24 24 ILE HG12 H 1.943 0.006 . 243 24 24 ILE HG13 H 0.996 0.008 . 244 24 24 ILE HG2 H 0.805 0.002 . 245 24 24 ILE C C 170.547 0.016 . 246 24 24 ILE CA C 60.575 0.040 . 247 24 24 ILE CB C 38.221 0.034 . 248 24 24 ILE CD1 C 14.472 0.039 . 249 24 24 ILE CG1 C 29.120 0.045 . 250 24 24 ILE CG2 C 15.279 0.033 . 251 24 24 ILE N N 112.718 0.030 . 252 25 25 ALA H H 8.554 0.004 . 253 25 25 ALA HA H 5.682 0.013 . 254 25 25 ALA HB H 0.988 0.006 . 255 25 25 ALA C C 175.269 0.016 . 256 25 25 ALA CA C 50.701 0.040 . 257 25 25 ALA CB C 23.748 0.052 . 258 25 25 ALA N N 128.192 0.037 . 259 26 26 VAL H H 8.415 0.007 . 260 26 26 VAL HA H 4.585 0.006 . 261 26 26 VAL HB H 1.542 0.004 . 262 26 26 VAL HG1 H 0.359 0.008 . 263 26 26 VAL HG2 H 0.086 0.007 . 264 26 26 VAL C C 172.207 0.005 . 265 26 26 VAL CA C 59.397 0.062 . 266 26 26 VAL CB C 36.048 0.067 . 267 26 26 VAL CG1 C 20.334 0.021 . 268 26 26 VAL CG2 C 21.065 0.042 . 269 26 26 VAL N N 115.828 0.039 . 270 27 27 GLN H H 8.385 0.003 . 271 27 27 GLN HA H 4.863 0.002 . 272 27 27 GLN HB2 H 1.790 0.010 . 273 27 27 GLN HB3 H 1.988 0.005 . 274 27 27 GLN HE21 H 7.395 0.002 . 275 27 27 GLN HE22 H 6.712 0.002 . 276 27 27 GLN HG2 H 2.173 0.004 . 277 27 27 GLN HG3 H 2.244 0.003 . 278 27 27 GLN C C 174.460 0.008 . 279 27 27 GLN CA C 54.853 0.049 . 280 27 27 GLN CB C 30.015 0.022 . 281 27 27 GLN CG C 33.840 0.000 . 282 27 27 GLN N N 124.933 0.057 . 283 27 27 GLN NE2 N 111.146 0.063 . 284 28 28 GLY H H 8.641 0.010 . 285 28 28 GLY HA2 H 3.615 0.008 . 286 28 28 GLY HA3 H 4.783 0.002 . 287 28 28 GLY C C 171.730 0.024 . 288 28 28 GLY CA C 44.986 0.027 . 289 28 28 GLY N N 108.781 0.027 . 290 29 29 VAL H H 8.769 0.009 . 291 29 29 VAL HA H 4.717 0.006 . 292 29 29 VAL HB H 1.913 0.006 . 293 29 29 VAL HG1 H 0.803 0.003 . 294 29 29 VAL HG2 H 0.936 0.003 . 295 29 29 VAL C C 175.043 0.014 . 296 29 29 VAL CA C 61.080 0.050 . 297 29 29 VAL CB C 35.039 0.043 . 298 29 29 VAL CG1 C 22.176 0.023 . 299 29 29 VAL CG2 C 21.177 0.019 . 300 29 29 VAL N N 118.186 0.045 . 301 30 30 LEU H H 9.421 0.004 . 302 30 30 LEU HA H 4.207 0.007 . 303 30 30 LEU HB2 H 1.829 0.008 . 304 30 30 LEU HB3 H 1.141 0.010 . 305 30 30 LEU HD1 H 0.442 0.005 . 306 30 30 LEU HD2 H 0.717 0.002 . 307 30 30 LEU HG H 1.135 0.004 . 308 30 30 LEU C C 176.385 0.029 . 309 30 30 LEU CA C 54.344 0.073 . 310 30 30 LEU CB C 43.683 0.055 . 311 30 30 LEU CD1 C 23.428 0.020 . 312 30 30 LEU CD2 C 26.179 0.052 . 313 30 30 LEU CG C 27.390 0.000 . 314 30 30 LEU N N 129.184 0.038 . 315 31 31 CYS H H 8.732 0.005 . 316 31 31 CYS HA H 4.815 0.001 . 317 31 31 CYS HB2 H 2.737 0.004 . 318 31 31 CYS HB3 H 2.664 0.003 . 319 31 31 CYS C C 174.060 0.023 . 320 31 31 CYS CA C 58.203 0.030 . 321 31 31 CYS CB C 28.058 0.037 . 322 31 31 CYS N N 127.798 0.082 . 323 32 32 LYS H H 7.922 0.011 . 324 32 32 LYS HA H 4.482 0.010 . 325 32 32 LYS HB2 H 1.692 0.005 . 326 32 32 LYS HB3 H 1.493 0.006 . 327 32 32 LYS HD2 H 1.586 0.007 . 328 32 32 LYS HD3 H 1.586 0.007 . 329 32 32 LYS HE2 H 2.866 0.006 . 330 32 32 LYS HE3 H 2.866 0.006 . 331 32 32 LYS HG2 H 1.249 0.007 . 332 32 32 LYS HG3 H 1.249 0.007 . 333 32 32 LYS C C 177.572 0.000 . 334 32 32 LYS CA C 55.353 0.080 . 335 32 32 LYS CB C 33.559 0.043 . 336 32 32 LYS CD C 29.430 0.001 . 337 32 32 LYS CE C 42.060 0.035 . 338 32 32 LYS CG C 24.687 0.044 . 339 32 32 LYS N N 126.748 0.072 . 340 33 33 GLY H H 8.541 0.009 . 341 33 33 GLY HA2 H 3.959 0.016 . 342 33 33 GLY HA3 H 3.650 0.014 . 343 33 33 GLY C C 174.927 0.004 . 344 33 33 GLY CA C 47.129 0.030 . 345 33 33 GLY N N 109.962 0.026 . 346 34 34 ASP H H 8.830 0.011 . 347 34 34 ASP HA H 4.592 0.006 . 348 34 34 ASP HB2 H 2.613 0.012 . 349 34 34 ASP HB3 H 2.712 0.007 . 350 34 34 ASP C C 175.949 0.005 . 351 34 34 ASP CA C 54.451 0.022 . 352 34 34 ASP CB C 40.865 0.024 . 353 34 34 ASP N N 126.161 0.075 . 354 35 35 SER H H 8.057 0.004 . 355 35 35 SER HA H 4.556 0.012 . 356 35 35 SER HB2 H 4.013 0.005 . 357 35 35 SER HB3 H 3.908 0.009 . 358 35 35 SER C C 174.345 0.001 . 359 35 35 SER CA C 58.143 0.026 . 360 35 35 SER CB C 64.574 0.072 . 361 35 35 SER N N 115.603 0.071 . 362 36 36 ARG H H 8.609 0.007 . 363 36 36 ARG HA H 4.961 0.012 . 364 36 36 ARG HB2 H 1.718 0.005 . 365 36 36 ARG HB3 H 1.515 0.003 . 366 36 36 ARG HD2 H 3.135 0.003 . 367 36 36 ARG HD3 H 3.135 0.003 . 368 36 36 ARG C C 175.423 0.009 . 369 36 36 ARG CA C 54.724 0.028 . 370 36 36 ARG CB C 32.184 0.064 . 371 36 36 ARG CD C 43.760 0.060 . 372 36 36 ARG N N 126.901 0.056 . 373 37 37 GLN H H 8.522 0.006 . 374 37 37 GLN HA H 4.743 0.009 . 375 37 37 GLN HB2 H 1.820 0.000 . 376 37 37 GLN HB3 H 2.124 0.007 . 377 37 37 GLN HE21 H 6.877 0.005 . 378 37 37 GLN HE22 H 7.420 0.004 . 379 37 37 GLN HG2 H 2.322 0.006 . 380 37 37 GLN HG3 H 2.322 0.006 . 381 37 37 GLN C C 175.033 0.035 . 382 37 37 GLN CA C 54.188 0.033 . 383 37 37 GLN CB C 32.673 0.032 . 384 37 37 GLN CG C 33.450 0.000 . 385 37 37 GLN N N 121.445 0.073 . 386 37 37 GLN NE2 N 111.239 0.060 . 387 38 38 SER H H 9.096 0.004 . 388 38 38 SER HA H 4.847 0.005 . 389 38 38 SER HB2 H 3.862 0.002 . 390 38 38 SER HB3 H 3.862 0.002 . 391 38 38 SER C C 176.714 0.037 . 392 38 38 SER CA C 59.909 0.050 . 393 38 38 SER CB C 62.568 0.057 . 394 38 38 SER N N 119.757 0.076 . 395 39 39 ARG H H 9.359 0.024 . 396 39 39 ARG HA H 5.395 0.009 . 397 39 39 ARG HB3 H 1.820 0.000 . 398 39 39 ARG HG2 H 1.701 0.000 . 399 39 39 ARG HG3 H 1.701 0.000 . 400 39 39 ARG C C 174.758 0.027 . 401 39 39 ARG CA C 53.384 0.070 . 402 39 39 ARG CB C 36.434 0.070 . 403 39 39 ARG N N 127.559 0.123 . 404 40 40 LEU H H 8.937 0.005 . 405 40 40 LEU HA H 4.912 0.015 . 406 40 40 LEU HB2 H 1.504 0.007 . 407 40 40 LEU HB3 H 1.238 0.007 . 408 40 40 LEU HD1 H 0.378 0.003 . 409 40 40 LEU HD2 H 0.487 0.001 . 410 40 40 LEU HG H 1.267 0.002 . 411 40 40 LEU C C 175.454 0.060 . 412 40 40 LEU CA C 53.837 0.039 . 413 40 40 LEU CB C 43.696 0.023 . 414 40 40 LEU CD1 C 23.779 0.034 . 415 40 40 LEU CD2 C 24.736 0.037 . 416 40 40 LEU CG C 27.357 0.034 . 417 40 40 LEU N N 119.417 0.149 . 418 41 41 LEU H H 9.134 0.005 . 419 41 41 LEU HA H 5.037 0.010 . 420 41 41 LEU HB2 H 1.372 0.005 . 421 41 41 LEU HB3 H 1.166 0.007 . 422 41 41 LEU HD1 H -0.123 0.004 . 423 41 41 LEU HD2 H 0.305 0.003 . 424 41 41 LEU HG H 1.182 0.008 . 425 41 41 LEU C C 175.084 0.003 . 426 41 41 LEU CA C 55.204 0.051 . 427 41 41 LEU CB C 43.288 0.054 . 428 41 41 LEU CD1 C 25.535 0.198 . 429 41 41 LEU CD2 C 24.197 0.021 . 430 41 41 LEU CG C 28.791 0.093 . 431 41 41 LEU N N 124.957 0.049 . 432 42 42 GLY H H 9.547 0.006 . 433 42 42 GLY HA2 H 3.259 0.006 . 434 42 42 GLY HA3 H 4.976 0.004 . 435 42 42 GLY C C 171.790 0.019 . 436 42 42 GLY CA C 44.583 0.027 . 437 42 42 GLY N N 107.566 0.031 . 438 43 43 LEU H H 8.633 0.008 . 439 43 43 LEU HA H 4.831 0.012 . 440 43 43 LEU HB2 H 2.012 0.010 . 441 43 43 LEU HB3 H 0.882 0.008 . 442 43 43 LEU HD1 H 0.500 0.006 . 443 43 43 LEU HD2 H 0.715 0.004 . 444 43 43 LEU HG H 1.398 0.008 . 445 43 43 LEU C C 173.252 0.008 . 446 43 43 LEU CA C 54.594 0.022 . 447 43 43 LEU CB C 42.389 0.032 . 448 43 43 LEU CD1 C 25.909 0.030 . 449 43 43 LEU CD2 C 23.393 0.046 . 450 43 43 LEU CG C 27.988 0.022 . 451 43 43 LEU N N 127.345 0.047 . 452 44 44 VAL H H 9.357 0.004 . 453 44 44 VAL HA H 4.609 0.008 . 454 44 44 VAL HB H 1.617 0.006 . 455 44 44 VAL HG1 H 0.077 0.006 . 456 44 44 VAL HG2 H 0.527 0.006 . 457 44 44 VAL C C 173.217 0.002 . 458 44 44 VAL CA C 62.101 0.051 . 459 44 44 VAL CB C 33.825 0.035 . 460 44 44 VAL CG1 C 20.893 0.050 . 461 44 44 VAL CG2 C 21.806 0.041 . 462 44 44 VAL N N 131.117 0.043 . 463 45 45 ARG H H 9.196 0.006 . 464 45 45 ARG HA H 4.565 0.001 . 465 45 45 ARG HB2 H 1.669 0.001 . 466 45 45 ARG HB3 H 1.714 0.006 . 467 45 45 ARG C C 174.025 0.000 . 468 45 45 ARG CA C 53.769 0.034 . 469 45 45 ARG CB C 35.217 0.028 . 470 45 45 ARG N N 127.813 0.034 . 471 46 46 TYR H H 8.722 0.007 . 472 46 46 TYR HA H 4.468 0.006 . 473 46 46 TYR HB2 H 2.904 0.000 . 474 46 46 TYR HB3 H 3.065 0.008 . 475 46 46 TYR HD1 H 6.066 0.010 . 476 46 46 TYR HD2 H 6.066 0.010 . 477 46 46 TYR HE1 H 6.684 0.006 . 478 46 46 TYR HE2 H 6.684 0.006 . 479 46 46 TYR C C 173.444 0.000 . 480 46 46 TYR CA C 56.240 0.106 . 481 46 46 TYR CB C 39.744 0.000 . 482 46 46 TYR CD1 C 132.509 0.043 . 483 46 46 TYR CD2 C 132.522 0.000 . 484 46 46 TYR CE1 C 117.598 0.003 . 485 46 46 TYR CE2 C 117.594 0.000 . 486 46 46 TYR N N 128.775 0.032 . 487 47 47 ARG H H 7.100 0.009 . 488 47 47 ARG HA H 4.364 0.001 . 489 47 47 ARG HB2 H 1.518 0.001 . 490 47 47 ARG HB3 H 1.374 0.002 . 491 47 47 ARG HD2 H 2.961 0.008 . 492 47 47 ARG HD3 H 2.961 0.008 . 493 47 47 ARG HE H 6.960 0.000 . 494 47 47 ARG HG2 H 1.376 0.002 . 495 47 47 ARG HG3 H 1.376 0.002 . 496 47 47 ARG C C 174.388 0.000 . 497 47 47 ARG CA C 55.196 0.000 . 498 47 47 ARG CB C 31.443 0.116 . 499 47 47 ARG CD C 43.360 0.000 . 500 47 47 ARG CG C 27.251 0.009 . 501 47 47 ARG N N 126.449 0.032 . 502 47 47 ARG NE N 119.164 0.000 . 503 48 48 LEU H H 8.246 0.006 . 504 48 48 LEU HA H 4.251 0.013 . 505 48 48 LEU HB2 H 1.713 0.004 . 506 48 48 LEU HB3 H 1.590 0.002 . 507 48 48 LEU HD1 H 0.925 0.004 . 508 48 48 LEU HD2 H 0.853 0.004 . 509 48 48 LEU HG H 1.536 0.006 . 510 48 48 LEU C C 177.525 0.011 . 511 48 48 LEU CA C 54.984 0.031 . 512 48 48 LEU CB C 43.051 0.137 . 513 48 48 LEU CD1 C 25.125 0.039 . 514 48 48 LEU CD2 C 25.508 0.051 . 515 48 48 LEU CG C 28.629 0.046 . 516 48 48 LEU N N 125.618 0.031 . 517 49 49 GLU H H 8.471 0.005 . 518 49 49 GLU HA H 4.011 0.004 . 519 49 49 GLU HB2 H 2.001 0.010 . 520 49 49 GLU HB3 H 1.956 0.003 . 521 49 49 GLU HG2 H 2.258 0.007 . 522 49 49 GLU HG3 H 2.258 0.007 . 523 49 49 GLU C C 176.471 0.025 . 524 49 49 GLU CA C 58.101 0.052 . 525 49 49 GLU CB C 29.629 0.012 . 526 49 49 GLU N N 119.420 0.039 . 527 50 50 ASN H H 8.116 0.006 . 528 50 50 ASN HA H 4.470 0.005 . 529 50 50 ASN HB2 H 2.999 0.012 . 530 50 50 ASN HB3 H 2.766 0.008 . 531 50 50 ASN HD21 H 7.471 0.004 . 532 50 50 ASN HD22 H 6.585 0.006 . 533 50 50 ASN C C 175.270 0.018 . 534 50 50 ASN CA C 53.299 0.084 . 535 50 50 ASN CB C 37.364 0.048 . 536 50 50 ASN N N 116.149 0.042 . 537 50 50 ASN ND2 N 110.288 0.138 . 538 51 51 ASP H H 8.168 0.007 . 539 51 51 ASP HA H 4.247 0.006 . 540 51 51 ASP HB2 H 2.809 0.006 . 541 51 51 ASP HB3 H 2.809 0.006 . 542 51 51 ASP C C 175.221 0.001 . 543 51 51 ASP CA C 56.120 0.026 . 544 51 51 ASP CB C 40.008 0.062 . 545 51 51 ASP N N 114.361 0.042 . 546 52 52 ALA H H 7.482 0.005 . 547 52 52 ALA HA H 4.402 0.007 . 548 52 52 ALA HB H 1.404 0.007 . 549 52 52 ALA C C 176.142 0.011 . 550 52 52 ALA CA C 52.307 0.021 . 551 52 52 ALA CB C 19.502 0.057 . 552 52 52 ALA N N 122.169 0.040 . 553 53 53 GLN H H 8.423 0.007 . 554 53 53 GLN HA H 5.135 0.011 . 555 53 53 GLN HB2 H 1.773 0.006 . 556 53 53 GLN HB3 H 1.773 0.006 . 557 53 53 GLN HE21 H 7.510 0.002 . 558 53 53 GLN HE22 H 6.664 0.006 . 559 53 53 GLN HG2 H 2.038 0.008 . 560 53 53 GLN HG3 H 2.264 0.009 . 561 53 53 GLN C C 175.201 0.024 . 562 53 53 GLN CA C 54.428 0.028 . 563 53 53 GLN CB C 31.991 0.036 . 564 53 53 GLN CG C 33.440 0.099 . 565 53 53 GLN N N 116.812 0.060 . 566 53 53 GLN NE2 N 109.592 0.026 . 567 54 54 GLU H H 8.542 0.004 . 568 54 54 GLU HB2 H 1.909 0.018 . 569 54 54 GLU HB3 H 1.996 0.000 . 570 54 54 GLU HG2 H 2.302 0.000 . 571 54 54 GLU HG3 H 2.450 0.002 . 572 54 54 GLU C C 174.095 0.014 . 573 54 54 GLU CA C 54.804 0.034 . 574 54 54 GLU CB C 34.901 0.000 . 575 54 54 GLU N N 120.393 0.030 . 576 55 55 HIS H H 9.753 0.008 . 577 55 55 HIS HA H 6.377 0.015 . 578 55 55 HIS HB2 H 3.054 0.010 . 579 55 55 HIS HB3 H 2.897 0.006 . 580 55 55 HIS HD2 H 6.368 0.004 . 581 55 55 HIS HE1 H 7.739 0.010 . 582 55 55 HIS C C 174.064 0.022 . 583 55 55 HIS CA C 55.720 0.084 . 584 55 55 HIS CB C 35.357 0.064 . 585 55 55 HIS CD2 C 126.628 0.037 . 586 55 55 HIS CE1 C 114.300 0.000 . 587 55 55 HIS N N 116.907 0.048 . 588 56 56 ALA H H 9.523 0.007 . 589 56 56 ALA HA H 4.708 0.004 . 590 56 56 ALA HB H 1.276 0.004 . 591 56 56 ALA C C 174.459 0.014 . 592 56 56 ALA CA C 51.391 0.020 . 593 56 56 ALA CB C 24.638 0.038 . 594 56 56 ALA N N 119.482 0.049 . 595 57 57 LEU H H 8.952 0.005 . 596 57 57 LEU HA H 5.291 0.009 . 597 57 57 LEU HB2 H 1.460 0.005 . 598 57 57 LEU HB3 H 1.542 0.004 . 599 57 57 LEU HD1 H 0.824 0.002 . 600 57 57 LEU HD2 H 0.863 0.001 . 601 57 57 LEU HG H 1.490 0.004 . 602 57 57 LEU C C 174.809 0.013 . 603 57 57 LEU CA C 53.148 0.049 . 604 57 57 LEU CB C 43.632 0.053 . 605 57 57 LEU CD1 C 25.240 0.000 . 606 57 57 LEU CD2 C 25.778 0.110 . 607 57 57 LEU CG C 26.996 0.000 . 608 57 57 LEU N N 121.489 0.041 . 609 58 58 PHE H H 9.804 0.008 . 610 58 58 PHE HA H 4.775 0.003 . 611 58 58 PHE HB2 H 3.159 0.010 . 612 58 58 PHE HB3 H 2.763 0.011 . 613 58 58 PHE HD1 H 7.145 0.006 . 614 58 58 PHE HD2 H 7.145 0.006 . 615 58 58 PHE HE1 H 6.472 0.007 . 616 58 58 PHE HE2 H 6.472 0.007 . 617 58 58 PHE HZ H 6.498 0.008 . 618 58 58 PHE C C 173.830 0.012 . 619 58 58 PHE CA C 55.832 0.065 . 620 58 58 PHE CB C 40.147 0.088 . 621 58 58 PHE CD1 C 130.480 0.068 . 622 58 58 PHE CD2 C 130.445 0.000 . 623 58 58 PHE CE1 C 130.441 0.022 . 624 58 58 PHE CE2 C 130.371 0.000 . 625 58 58 PHE CZ C 128.215 0.023 . 626 58 58 PHE N N 129.519 0.067 . 627 59 59 LEU H H 8.831 0.008 . 628 59 59 LEU HA H 5.448 0.015 . 629 59 59 LEU HB2 H 1.354 0.052 . 630 59 59 LEU HB3 H 2.037 0.019 . 631 59 59 LEU HD1 H 0.850 0.003 . 632 59 59 LEU HD2 H 0.806 0.002 . 633 59 59 LEU HG H 1.628 0.008 . 634 59 59 LEU C C 175.921 0.053 . 635 59 59 LEU CA C 53.836 0.091 . 636 59 59 LEU CB C 43.466 0.080 . 637 59 59 LEU CD1 C 26.351 0.011 . 638 59 59 LEU CD2 C 25.319 0.034 . 639 59 59 LEU CG C 28.710 0.048 . 640 59 59 LEU N N 122.821 0.046 . 641 60 60 TYR H H 9.612 0.009 . 642 60 60 TYR HA H 5.361 0.005 . 643 60 60 TYR HB2 H 3.126 0.010 . 644 60 60 TYR HB3 H 2.716 0.005 . 645 60 60 TYR HD1 H 6.826 0.006 . 646 60 60 TYR HD2 H 6.826 0.006 . 647 60 60 TYR HE1 H 6.664 0.010 . 648 60 60 TYR HE2 H 6.664 0.010 . 649 60 60 TYR C C 178.376 0.144 . 650 60 60 TYR CA C 57.388 0.065 . 651 60 60 TYR CB C 41.341 0.071 . 652 60 60 TYR CD1 C 132.610 0.085 . 653 60 60 TYR CE1 C 119.599 0.012 . 654 60 60 TYR CE2 C 119.600 0.000 . 655 60 60 TYR N N 121.296 0.049 . 656 61 61 THR H H 9.248 0.005 . 657 61 61 THR HA H 4.720 0.004 . 658 61 61 THR HB H 4.332 0.012 . 659 61 61 THR HG2 H 1.179 0.009 . 660 61 61 THR C C 174.072 0.034 . 661 61 61 THR CA C 61.328 0.126 . 662 61 61 THR CB C 70.234 0.035 . 663 61 61 THR CG2 C 21.386 0.078 . 664 61 61 THR N N 112.924 0.056 . 665 62 62 HIS H H 8.503 0.005 . 666 62 62 HIS HA H 5.360 0.014 . 667 62 62 HIS HB2 H 2.971 0.004 . 668 62 62 HIS HB3 H 3.059 0.006 . 669 62 62 HIS HD2 H 6.683 0.007 . 670 62 62 HIS HE1 H 7.643 0.005 . 671 62 62 HIS C C 174.431 0.000 . 672 62 62 HIS CA C 55.004 0.032 . 673 62 62 HIS CB C 31.735 0.094 . 674 62 62 HIS CD2 C 123.974 0.067 . 675 62 62 HIS CE1 C 113.451 0.000 . 676 62 62 HIS N N 116.940 0.107 . 677 63 63 ARG H H 8.527 0.006 . 678 63 63 ARG HA H 4.355 0.000 . 679 63 63 ARG HB2 H 1.903 0.000 . 680 63 63 ARG HB3 H 1.903 0.000 . 681 63 63 ARG HD2 H 3.183 0.005 . 682 63 63 ARG HD3 H 3.183 0.005 . 683 63 63 ARG HG2 H 1.610 0.000 . 684 63 63 ARG HG3 H 1.610 0.000 . 685 63 63 ARG C C 175.690 0.002 . 686 63 63 ARG CA C 55.807 0.000 . 687 63 63 ARG CB C 31.910 0.000 . 688 63 63 ARG CD C 43.330 0.000 . 689 63 63 ARG N N 121.661 0.048 . 690 64 64 ARG H H 8.550 0.007 . 691 64 64 ARG HA H 4.196 0.006 . 692 64 64 ARG HB2 H 1.844 0.002 . 693 64 64 ARG HB3 H 1.844 0.002 . 694 64 64 ARG HD2 H 3.180 0.004 . 695 64 64 ARG HD3 H 3.180 0.004 . 696 64 64 ARG HG2 H 1.562 0.000 . 697 64 64 ARG HG3 H 1.562 0.000 . 698 64 64 ARG C C 176.348 0.000 . 699 64 64 ARG CA C 57.262 0.124 . 700 64 64 ARG CB C 30.262 0.031 . 701 64 64 ARG N N 120.385 0.028 . 702 65 65 MET H H 8.330 0.002 . 703 65 65 MET HA H 4.434 0.006 . 704 65 65 MET HB2 H 2.025 0.005 . 705 65 65 MET HB3 H 1.907 0.002 . 706 65 65 MET HE H 2.030 0.000 . 707 65 65 MET HG2 H 2.522 0.006 . 708 65 65 MET HG3 H 2.425 0.012 . 709 65 65 MET C C 175.226 0.103 . 710 65 65 MET CA C 55.190 0.031 . 711 65 65 MET CB C 32.312 0.051 . 712 65 65 MET CG C 32.007 0.047 . 713 65 65 MET N N 119.655 0.062 . 714 66 66 ALA H H 8.238 0.006 . 715 66 66 ALA HA H 4.246 0.008 . 716 66 66 ALA HB H 1.205 0.008 . 717 66 66 ALA C C 176.400 0.099 . 718 66 66 ALA CA C 52.394 0.065 . 719 66 66 ALA CB C 18.947 0.041 . 720 66 66 ALA N N 124.668 0.108 . 721 67 67 ILE H H 8.673 0.034 . 722 67 67 ILE HA H 4.134 0.008 . 723 67 67 ILE HB H 1.932 0.007 . 724 67 67 ILE HD1 H 0.777 0.004 . 725 67 67 ILE HG12 H 1.407 0.006 . 726 67 67 ILE HG13 H 1.118 0.013 . 727 67 67 ILE HG2 H 0.861 0.004 . 728 67 67 ILE C C 176.236 0.023 . 729 67 67 ILE CA C 62.214 0.015 . 730 67 67 ILE CB C 39.332 0.117 . 731 67 67 ILE CD1 C 12.646 0.057 . 732 67 67 ILE CG1 C 27.460 0.000 . 733 67 67 ILE CG2 C 17.768 0.039 . 734 67 67 ILE N N 119.457 0.168 . 735 68 68 THR H H 8.044 0.015 . 736 68 68 THR HA H 4.547 0.009 . 737 68 68 THR HB H 4.461 0.010 . 738 68 68 THR HG2 H 1.172 0.003 . 739 68 68 THR C C 175.373 0.025 . 740 68 68 THR CA C 60.153 0.056 . 741 68 68 THR CB C 71.538 0.008 . 742 68 68 THR CG2 C 21.641 0.028 . 743 68 68 THR N N 111.870 0.037 . 744 69 69 GLY H H 8.855 0.034 . 745 69 69 GLY HA2 H 3.912 0.008 . 746 69 69 GLY HA3 H 3.840 0.006 . 747 69 69 GLY C C 174.092 0.010 . 748 69 69 GLY CA C 46.663 0.056 . 749 69 69 GLY N N 109.861 0.071 . 750 70 70 ASP H H 7.919 0.008 . 751 70 70 ASP HA H 4.639 0.001 . 752 70 70 ASP HB2 H 2.596 0.009 . 753 70 70 ASP HB3 H 2.431 0.012 . 754 70 70 ASP C C 176.274 0.000 . 755 70 70 ASP CA C 55.076 0.054 . 756 70 70 ASP CB C 41.532 0.077 . 757 70 70 ASP N N 118.090 0.111 . 758 71 71 ASP H H 8.189 0.005 . 759 71 71 ASP HA H 4.662 0.007 . 760 71 71 ASP HB2 H 2.976 0.011 . 761 71 71 ASP HB3 H 2.776 0.017 . 762 71 71 ASP C C 175.224 0.061 . 763 71 71 ASP CA C 54.739 0.035 . 764 71 71 ASP CB C 43.280 0.117 . 765 71 71 ASP N N 118.584 0.102 . 766 72 72 VAL H H 7.623 0.010 . 767 72 72 VAL HA H 5.267 0.014 . 768 72 72 VAL HB H 2.084 0.012 . 769 72 72 VAL HG1 H 0.582 0.007 . 770 72 72 VAL HG2 H 0.546 0.008 . 771 72 72 VAL C C 175.013 0.032 . 772 72 72 VAL CA C 59.149 0.045 . 773 72 72 VAL CB C 34.731 0.035 . 774 72 72 VAL CG1 C 19.319 0.049 . 775 72 72 VAL CG2 C 22.118 0.054 . 776 72 72 VAL N N 112.588 0.136 . 777 73 73 SER H H 8.525 0.006 . 778 73 73 SER HA H 4.859 0.010 . 779 73 73 SER HB2 H 3.724 0.010 . 780 73 73 SER HB3 H 3.585 0.006 . 781 73 73 SER C C 173.425 0.065 . 782 73 73 SER CA C 57.063 0.050 . 783 73 73 SER CB C 64.873 0.051 . 784 73 73 SER N N 115.356 0.113 . 785 74 74 LEU H H 9.004 0.004 . 786 74 74 LEU HA H 3.440 0.010 . 787 74 74 LEU HB2 H 1.819 0.008 . 788 74 74 LEU HB3 H 1.178 0.005 . 789 74 74 LEU HD1 H 0.062 0.007 . 790 74 74 LEU HD2 H 0.449 0.005 . 791 74 74 LEU HG H 1.074 0.013 . 792 74 74 LEU C C 174.624 0.101 . 793 74 74 LEU CA C 56.697 0.136 . 794 74 74 LEU CB C 41.379 0.051 . 795 74 74 LEU CD1 C 22.451 0.030 . 796 74 74 LEU CD2 C 26.178 0.039 . 797 74 74 LEU CG C 26.582 0.026 . 798 74 74 LEU N N 130.251 0.110 . 799 75 75 ASP H H 9.331 0.019 . 800 75 75 ASP HA H 4.784 0.001 . 801 75 75 ASP HB2 H 2.412 0.008 . 802 75 75 ASP HB3 H 2.537 0.008 . 803 75 75 ASP C C 174.886 0.008 . 804 75 75 ASP CA C 55.897 0.038 . 805 75 75 ASP CB C 45.705 0.069 . 806 75 75 ASP N N 129.877 0.058 . 807 76 76 GLN H H 7.607 0.006 . 808 76 76 GLN HA H 4.450 0.009 . 809 76 76 GLN HB2 H 1.805 0.009 . 810 76 76 GLN HB3 H 1.622 0.015 . 811 76 76 GLN HE21 H 7.513 0.006 . 812 76 76 GLN HE22 H 6.064 0.004 . 813 76 76 GLN HG2 H 2.009 0.006 . 814 76 76 GLN HG3 H 2.203 0.008 . 815 76 76 GLN C C 177.324 0.000 . 816 76 76 GLN CA C 55.316 0.063 . 817 76 76 GLN CB C 32.661 0.045 . 818 76 76 GLN CG C 33.298 0.050 . 819 76 76 GLN N N 114.511 0.037 . 820 76 76 GLN NE2 N 108.179 0.044 . 821 77 77 ILE H H 8.395 0.007 . 822 77 77 ILE HA H 4.440 0.006 . 823 77 77 ILE HB H 1.107 0.006 . 824 77 77 ILE HD1 H 0.006 0.008 . 825 77 77 ILE HG12 H -0.493 0.008 . 826 77 77 ILE HG13 H 0.839 0.011 . 827 77 77 ILE HG2 H 0.219 0.004 . 828 77 77 ILE C C 175.281 0.004 . 829 77 77 ILE CA C 60.363 0.097 . 830 77 77 ILE CB C 40.946 0.061 . 831 77 77 ILE CD1 C 14.008 0.070 . 832 77 77 ILE CG1 C 26.863 0.026 . 833 77 77 ILE CG2 C 19.024 0.047 . 834 77 77 ILE N N 122.648 0.079 . 835 78 78 VAL H H 9.404 0.008 . 836 78 78 VAL HA H 4.488 0.008 . 837 78 78 VAL HB H 2.182 0.006 . 838 78 78 VAL HG1 H 1.032 0.002 . 839 78 78 VAL HG2 H 0.780 0.003 . 840 78 78 VAL CA C 59.001 0.066 . 841 78 78 VAL CB C 33.609 0.073 . 842 78 78 VAL CG1 C 21.753 0.028 . 843 78 78 VAL CG2 C 19.863 0.049 . 844 78 78 VAL N N 128.245 0.041 . 845 79 79 PRO HA H 3.696 0.007 . 846 79 79 PRO HB2 H 0.195 0.004 . 847 79 79 PRO HB3 H 0.951 0.006 . 848 79 79 PRO HD2 H 3.630 0.008 . 849 79 79 PRO HD3 H 3.562 0.002 . 850 79 79 PRO HG2 H 1.706 0.014 . 851 79 79 PRO HG3 H 1.099 0.007 . 852 79 79 PRO C C 176.125 0.000 . 853 79 79 PRO CA C 62.916 0.075 . 854 79 79 PRO CB C 30.794 0.029 . 855 79 79 PRO CD C 51.400 0.000 . 856 79 79 PRO CG C 27.250 0.000 . 857 80 80 LEU H H 8.266 0.005 . 858 80 80 LEU HA H 4.218 0.009 . 859 80 80 LEU HB2 H 1.451 0.008 . 860 80 80 LEU HB3 H 1.654 0.008 . 861 80 80 LEU HD1 H 0.164 0.004 . 862 80 80 LEU HD2 H 0.280 0.006 . 863 80 80 LEU HG H 0.362 0.006 . 864 80 80 LEU C C 175.299 0.010 . 865 80 80 LEU CA C 55.676 0.147 . 866 80 80 LEU CB C 37.718 0.035 . 867 80 80 LEU CD1 C 25.901 0.029 . 868 80 80 LEU CD2 C 25.547 0.064 . 869 80 80 LEU CG C 29.124 0.088 . 870 80 80 LEU N N 125.810 0.052 . 871 81 81 SER H H 7.307 0.007 . 872 81 81 SER HA H 4.700 0.000 . 873 81 81 SER HB2 H 3.917 0.011 . 874 81 81 SER HB3 H 3.917 0.011 . 875 81 81 SER C C 176.099 0.008 . 876 81 81 SER CA C 56.959 0.028 . 877 81 81 SER CB C 65.166 0.089 . 878 81 81 SER N N 115.427 0.040 . 879 82 82 LYS H H 9.660 0.010 . 880 82 82 LYS HA H 4.060 0.006 . 881 82 82 LYS HB2 H 1.887 0.003 . 882 82 82 LYS HB3 H 1.887 0.003 . 883 82 82 LYS HD2 H 1.622 0.001 . 884 82 82 LYS HD3 H 1.622 0.001 . 885 82 82 LYS HG2 H 1.446 0.004 . 886 82 82 LYS HG3 H 1.446 0.004 . 887 82 82 LYS C C 175.855 0.012 . 888 82 82 LYS CA C 60.553 0.042 . 889 82 82 LYS CB C 32.201 0.037 . 890 82 82 LYS N N 119.367 0.045 . 891 83 83 ASP H H 8.738 0.010 . 892 83 83 ASP HA H 4.568 0.006 . 893 83 83 ASP HB2 H 2.748 0.010 . 894 83 83 ASP HB3 H 2.634 0.020 . 895 83 83 ASP C C 174.483 0.007 . 896 83 83 ASP CA C 53.203 0.013 . 897 83 83 ASP CB C 40.647 0.038 . 898 83 83 ASP N N 113.568 0.034 . 899 84 84 PHE H H 7.336 0.005 . 900 84 84 PHE HA H 4.763 0.004 . 901 84 84 PHE HB2 H 3.099 0.007 . 902 84 84 PHE HB3 H 3.431 0.011 . 903 84 84 PHE HD1 H 7.209 0.007 . 904 84 84 PHE HD2 H 7.209 0.007 . 905 84 84 PHE HE1 H 6.874 0.010 . 906 84 84 PHE HE2 H 6.874 0.010 . 907 84 84 PHE HZ H 6.798 0.007 . 908 84 84 PHE C C 174.999 0.002 . 909 84 84 PHE CA C 58.669 0.068 . 910 84 84 PHE CB C 40.279 0.029 . 911 84 84 PHE CD1 C 132.984 0.119 . 912 84 84 PHE CE1 C 130.381 0.063 . 913 84 84 PHE CZ C 128.348 0.000 . 914 84 84 PHE N N 121.989 0.031 . 915 85 85 MET H H 8.373 0.005 . 916 85 85 MET HA H 4.521 0.006 . 917 85 85 MET HB2 H 1.912 0.004 . 918 85 85 MET HB3 H 1.912 0.004 . 919 85 85 MET HE H 2.007 0.000 . 920 85 85 MET HG2 H 2.444 0.007 . 921 85 85 MET HG3 H 2.444 0.007 . 922 85 85 MET C C 172.608 0.013 . 923 85 85 MET CA C 55.068 0.006 . 924 85 85 MET CB C 36.321 0.038 . 925 85 85 MET CE C 17.042 0.035 . 926 85 85 MET CG C 31.847 0.020 . 927 85 85 MET N N 128.282 0.030 . 928 86 86 LEU H H 8.404 0.004 . 929 86 86 LEU HA H 5.056 0.009 . 930 86 86 LEU HB2 H 1.359 0.004 . 931 86 86 LEU HB3 H 1.736 0.002 . 932 86 86 LEU HD1 H 0.793 0.006 . 933 86 86 LEU HD2 H 0.806 0.003 . 934 86 86 LEU HG H 1.406 0.004 . 935 86 86 LEU C C 175.161 0.010 . 936 86 86 LEU CA C 54.001 0.084 . 937 86 86 LEU CB C 44.430 0.059 . 938 86 86 LEU CD1 C 25.644 0.130 . 939 86 86 LEU CD2 C 25.888 0.000 . 940 86 86 LEU CG C 27.479 0.001 . 941 86 86 LEU N N 125.706 0.059 . 942 87 87 GLU H H 8.771 0.007 . 943 87 87 GLU HA H 4.731 0.007 . 944 87 87 GLU HB2 H 1.967 0.009 . 945 87 87 GLU HB3 H 1.840 0.003 . 946 87 87 GLU HG2 H 2.107 0.004 . 947 87 87 GLU HG3 H 2.107 0.004 . 948 87 87 GLU C C 174.782 0.012 . 949 87 87 GLU CA C 54.576 0.019 . 950 87 87 GLU CB C 33.749 0.014 . 951 87 87 GLU CG C 36.056 0.100 . 952 87 87 GLU N N 124.556 0.028 . 953 88 88 GLU H H 8.928 0.004 . 954 88 88 GLU HA H 4.694 0.004 . 955 88 88 GLU HB2 H 1.830 0.005 . 956 88 88 GLU HB3 H 2.002 0.007 . 957 88 88 GLU HG2 H 2.252 0.002 . 958 88 88 GLU HG3 H 2.093 0.005 . 959 88 88 GLU C C 176.040 0.022 . 960 88 88 GLU CA C 56.483 0.028 . 961 88 88 GLU CB C 30.369 0.071 . 962 88 88 GLU N N 125.506 0.060 . 963 89 89 VAL H H 8.415 0.004 . 964 89 89 VAL HA H 4.238 0.007 . 965 89 89 VAL HB H 1.905 0.004 . 966 89 89 VAL HG1 H 0.761 0.003 . 967 89 89 VAL HG2 H 0.838 0.003 . 968 89 89 VAL C C 175.411 0.020 . 969 89 89 VAL CA C 61.440 0.045 . 970 89 89 VAL CB C 33.419 0.029 . 971 89 89 VAL CG1 C 20.408 0.032 . 972 89 89 VAL CG2 C 21.241 0.071 . 973 89 89 VAL N N 124.489 0.038 . 974 90 90 SER H H 8.571 0.004 . 975 90 90 SER HA H 4.800 0.006 . 976 90 90 SER HB2 H 3.874 0.005 . 977 90 90 SER HB3 H 3.802 0.005 . 978 90 90 SER CA C 56.162 0.003 . 979 90 90 SER CB C 63.219 0.003 . 980 90 90 SER N N 121.359 0.048 . 981 91 91 PRO HA H 4.201 0.004 . 982 91 91 PRO HB2 H 2.141 0.003 . 983 91 91 PRO HB3 H 1.824 0.003 . 984 91 91 PRO HD2 H 3.699 0.006 . 985 91 91 PRO HD3 H 3.824 0.004 . 986 91 91 PRO HG2 H 1.878 0.006 . 987 91 91 PRO HG3 H 1.926 0.004 . 988 91 91 PRO C C 176.447 0.002 . 989 91 91 PRO CA C 63.243 0.019 . 990 91 91 PRO CB C 32.088 0.019 . 991 91 91 PRO CD C 50.800 0.042 . 992 91 91 PRO CG C 27.383 0.006 . 993 92 92 ASP H H 8.269 0.003 . 994 92 92 ASP HA H 4.522 0.007 . 995 92 92 ASP HB2 H 2.588 0.007 . 996 92 92 ASP HB3 H 2.664 0.013 . 997 92 92 ASP C C 176.879 0.020 . 998 92 92 ASP CA C 54.355 0.027 . 999 92 92 ASP CB C 41.293 0.127 . 1000 92 92 ASP N N 119.724 0.039 . 1001 93 93 GLY H H 8.321 0.004 . 1002 93 93 GLY HA2 H 3.849 0.006 . 1003 93 93 GLY HA3 H 3.969 0.006 . 1004 93 93 GLY C C 174.528 0.038 . 1005 93 93 GLY CA C 45.761 0.008 . 1006 93 93 GLY N N 109.873 0.014 . 1007 94 94 GLU H H 8.252 0.004 . 1008 94 94 GLU HA H 4.213 0.008 . 1009 94 94 GLU HB2 H 1.895 0.004 . 1010 94 94 GLU HB3 H 2.004 0.004 . 1011 94 94 GLU HG2 H 2.231 0.004 . 1012 94 94 GLU HG3 H 2.157 0.011 . 1013 94 94 GLU C C 176.419 0.032 . 1014 94 94 GLU CA C 56.987 0.011 . 1015 94 94 GLU CB C 30.262 0.040 . 1016 94 94 GLU CG C 36.296 0.000 . 1017 94 94 GLU N N 120.380 0.050 . 1018 95 95 LEU H H 8.099 0.009 . 1019 95 95 LEU HA H 4.255 0.006 . 1020 95 95 LEU HB2 H 1.534 0.005 . 1021 95 95 LEU HB3 H 1.430 0.003 . 1022 95 95 LEU HD1 H 0.795 0.002 . 1023 95 95 LEU HD2 H 0.862 0.004 . 1024 95 95 LEU HG H 1.510 0.000 . 1025 95 95 LEU C C 176.673 0.013 . 1026 95 95 LEU CA C 55.017 0.053 . 1027 95 95 LEU CB C 42.281 0.052 . 1028 95 95 LEU CD1 C 23.509 0.046 . 1029 95 95 LEU CD2 C 24.936 0.000 . 1030 95 95 LEU CG C 27.002 0.000 . 1031 95 95 LEU N N 120.982 0.036 . 1032 96 96 TYR H H 7.986 0.005 . 1033 96 96 TYR HA H 4.345 0.004 . 1034 96 96 TYR HB2 H 2.839 0.009 . 1035 96 96 TYR HB3 H 2.936 0.006 . 1036 96 96 TYR HD1 H 7.022 0.010 . 1037 96 96 TYR HD2 H 7.022 0.010 . 1038 96 96 TYR HE1 H 6.795 0.003 . 1039 96 96 TYR HE2 H 6.795 0.003 . 1040 96 96 TYR C C 175.144 0.018 . 1041 96 96 TYR CA C 58.358 0.021 . 1042 96 96 TYR CB C 38.500 0.021 . 1043 96 96 TYR CD1 C 133.292 0.073 . 1044 96 96 TYR CD2 C 133.283 0.000 . 1045 96 96 TYR CE1 C 118.393 0.039 . 1046 96 96 TYR CE2 C 118.393 0.000 . 1047 96 96 TYR N N 121.326 0.029 . 1048 97 97 ILE H H 7.727 0.004 . 1049 97 97 ILE HA H 3.987 0.007 . 1050 97 97 ILE HB H 1.610 0.009 . 1051 97 97 ILE HD1 H 0.745 0.004 . 1052 97 97 ILE HG12 H 1.355 0.006 . 1053 97 97 ILE HG13 H 1.037 0.004 . 1054 97 97 ILE HG2 H 0.754 0.006 . 1055 97 97 ILE C C 175.529 0.007 . 1056 97 97 ILE CA C 60.035 0.045 . 1057 97 97 ILE CB C 38.740 0.075 . 1058 97 97 ILE CD1 C 12.568 0.042 . 1059 97 97 ILE CG1 C 27.010 0.016 . 1060 97 97 ILE CG2 C 17.115 0.028 . 1061 97 97 ILE N N 125.260 0.017 . 1062 98 98 LEU H H 8.221 0.006 . 1063 98 98 LEU HA H 4.004 0.009 . 1064 98 98 LEU HB2 H 1.499 0.004 . 1065 98 98 LEU HB3 H 1.559 0.003 . 1066 98 98 LEU HD1 H 0.953 0.004 . 1067 98 98 LEU HD2 H 0.892 0.005 . 1068 98 98 LEU HG H 1.560 0.000 . 1069 98 98 LEU C C 177.428 0.012 . 1070 98 98 LEU CA C 56.387 0.047 . 1071 98 98 LEU CB C 41.858 0.145 . 1072 98 98 LEU CD1 C 24.709 0.034 . 1073 98 98 LEU CD2 C 24.264 0.053 . 1074 98 98 LEU CG C 27.005 0.006 . 1075 98 98 LEU N N 127.385 0.032 . 1076 99 99 GLY H H 7.841 0.009 . 1077 99 99 GLY HA2 H 2.960 0.009 . 1078 99 99 GLY HA3 H 3.953 0.013 . 1079 99 99 GLY C C 174.123 0.035 . 1080 99 99 GLY CA C 44.807 0.038 . 1081 99 99 GLY N N 111.796 0.034 . 1082 100 100 SER H H 7.883 0.007 . 1083 100 100 SER HA H 4.388 0.012 . 1084 100 100 SER HB2 H 3.850 0.007 . 1085 100 100 SER HB3 H 3.850 0.007 . 1086 100 100 SER C C 174.678 0.005 . 1087 100 100 SER CA C 58.509 0.066 . 1088 100 100 SER CB C 64.134 0.092 . 1089 100 100 SER N N 115.927 0.041 . 1090 101 101 ASP H H 8.321 0.007 . 1091 101 101 ASP HA H 4.834 0.007 . 1092 101 101 ASP HB2 H 2.619 0.009 . 1093 101 101 ASP HB3 H 2.432 0.008 . 1094 101 101 ASP C C 175.786 0.006 . 1095 101 101 ASP CA C 55.342 0.015 . 1096 101 101 ASP CB C 41.640 0.038 . 1097 101 101 ASP N N 121.525 0.022 . 1098 102 102 VAL H H 9.014 0.006 . 1099 102 102 VAL HA H 4.234 0.010 . 1100 102 102 VAL HB H 1.964 0.007 . 1101 102 102 VAL HG1 H 0.988 0.007 . 1102 102 102 VAL HG2 H 0.884 0.003 . 1103 102 102 VAL C C 175.714 0.007 . 1104 102 102 VAL CA C 61.787 0.014 . 1105 102 102 VAL CB C 34.229 0.044 . 1106 102 102 VAL CG1 C 21.010 0.034 . 1107 102 102 VAL CG2 C 20.993 0.034 . 1108 102 102 VAL N N 121.497 0.021 . 1109 103 103 THR H H 8.964 0.004 . 1110 103 103 THR HA H 5.226 0.008 . 1111 103 103 THR HB H 4.055 0.006 . 1112 103 103 THR HG2 H 1.075 0.005 . 1113 103 103 THR C C 174.026 0.008 . 1114 103 103 THR CA C 62.784 0.041 . 1115 103 103 THR CB C 69.118 0.062 . 1116 103 103 THR CG2 C 21.808 0.043 . 1117 103 103 THR N N 124.795 0.035 . 1118 104 104 VAL H H 9.378 0.007 . 1119 104 104 VAL HA H 5.179 0.008 . 1120 104 104 VAL HB H 1.868 0.007 . 1121 104 104 VAL HG1 H 0.859 0.002 . 1122 104 104 VAL HG2 H 0.821 0.003 . 1123 104 104 VAL C C 173.148 0.015 . 1124 104 104 VAL CA C 58.713 0.007 . 1125 104 104 VAL CB C 35.484 0.036 . 1126 104 104 VAL CG1 C 20.527 0.028 . 1127 104 104 VAL CG2 C 21.923 0.038 . 1128 104 104 VAL N N 121.396 0.032 . 1129 105 105 GLN H H 9.174 0.008 . 1130 105 105 GLN HA H 5.294 0.009 . 1131 105 105 GLN HB2 H 1.939 0.004 . 1132 105 105 GLN HB3 H 1.867 0.006 . 1133 105 105 GLN HE21 H 7.622 0.003 . 1134 105 105 GLN HE22 H 6.714 0.005 . 1135 105 105 GLN HG2 H 2.108 0.005 . 1136 105 105 GLN HG3 H 2.061 0.005 . 1137 105 105 GLN C C 173.943 0.013 . 1138 105 105 GLN CA C 53.962 0.043 . 1139 105 105 GLN CB C 32.117 0.026 . 1140 105 105 GLN CG C 34.515 0.014 . 1141 105 105 GLN N N 122.256 0.052 . 1142 105 105 GLN NE2 N 111.691 0.047 . 1143 106 106 LEU H H 9.446 0.004 . 1144 106 106 LEU HA H 4.785 0.008 . 1145 106 106 LEU HB2 H 1.620 0.004 . 1146 106 106 LEU HB3 H 1.620 0.004 . 1147 106 106 LEU HD1 H 0.784 0.002 . 1148 106 106 LEU HD2 H 0.855 0.001 . 1149 106 106 LEU HG H 1.607 0.000 . 1150 106 106 LEU C C 174.456 0.008 . 1151 106 106 LEU CA C 53.655 0.065 . 1152 106 106 LEU CB C 43.808 0.046 . 1153 106 106 LEU CD1 C 24.834 0.023 . 1154 106 106 LEU CD2 C 23.499 0.000 . 1155 106 106 LEU CG C 27.709 0.009 . 1156 106 106 LEU N N 127.720 0.054 . 1157 107 107 ASN H H 8.587 0.007 . 1158 107 107 ASN HA H 5.520 0.010 . 1159 107 107 ASN HB2 H 2.631 0.009 . 1160 107 107 ASN HB3 H 2.565 0.007 . 1161 107 107 ASN HD21 H 7.176 0.002 . 1162 107 107 ASN HD22 H 6.821 0.005 . 1163 107 107 ASN C C 173.836 0.011 . 1164 107 107 ASN CA C 52.547 0.024 . 1165 107 107 ASN CB C 42.664 0.024 . 1166 107 107 ASN N N 122.282 0.032 . 1167 107 107 ASN ND2 N 112.897 0.041 . 1168 108 108 THR H H 8.685 0.005 . 1169 108 108 THR HA H 4.744 0.002 . 1170 108 108 THR HB H 4.666 0.007 . 1171 108 108 THR HG2 H 1.222 0.012 . 1172 108 108 THR C C 174.399 0.013 . 1173 108 108 THR CA C 59.563 0.057 . 1174 108 108 THR CB C 71.190 0.002 . 1175 108 108 THR CG2 C 22.610 0.032 . 1176 108 108 THR N N 112.899 0.036 . 1177 109 109 ALA H H 9.298 0.010 . 1178 109 109 ALA HA H 4.118 0.004 . 1179 109 109 ALA HB H 1.439 0.006 . 1180 109 109 ALA C C 178.935 0.006 . 1181 109 109 ALA CA C 55.296 0.007 . 1182 109 109 ALA CB C 18.230 0.044 . 1183 109 109 ALA N N 121.929 0.036 . 1184 110 110 GLU H H 7.953 0.006 . 1185 110 110 GLU HA H 4.418 0.008 . 1186 110 110 GLU HB2 H 2.064 0.010 . 1187 110 110 GLU HB3 H 1.788 0.010 . 1188 110 110 GLU HG2 H 2.174 0.005 . 1189 110 110 GLU HG3 H 2.174 0.005 . 1190 110 110 GLU C C 175.738 0.006 . 1191 110 110 GLU CA C 56.479 0.025 . 1192 110 110 GLU CB C 32.061 0.033 . 1193 110 110 GLU CG C 36.291 0.049 . 1194 110 110 GLU N N 112.666 0.046 . 1195 111 111 LEU H H 7.702 0.005 . 1196 111 111 LEU HA H 4.603 0.006 . 1197 111 111 LEU HB2 H 1.443 0.008 . 1198 111 111 LEU HB3 H 1.612 0.004 . 1199 111 111 LEU HD1 H 0.836 0.004 . 1200 111 111 LEU HD2 H 0.796 0.003 . 1201 111 111 LEU HG H 1.466 0.007 . 1202 111 111 LEU C C 175.056 0.003 . 1203 111 111 LEU CA C 54.572 0.031 . 1204 111 111 LEU CB C 45.560 0.026 . 1205 111 111 LEU CD1 C 25.277 0.000 . 1206 111 111 LEU CD2 C 24.945 0.000 . 1207 111 111 LEU CG C 26.800 0.000 . 1208 111 111 LEU N N 120.380 0.029 . 1209 112 112 LYS H H 8.048 0.005 . 1210 112 112 LYS HA H 5.151 0.012 . 1211 112 112 LYS HB2 H 1.688 0.003 . 1212 112 112 LYS HB3 H 1.619 0.003 . 1213 112 112 LYS HD2 H 1.576 0.008 . 1214 112 112 LYS HD3 H 1.576 0.008 . 1215 112 112 LYS HE2 H 2.858 0.005 . 1216 112 112 LYS HE3 H 2.858 0.005 . 1217 112 112 LYS HG2 H 1.368 0.004 . 1218 112 112 LYS HG3 H 1.190 0.003 . 1219 112 112 LYS C C 175.465 0.027 . 1220 112 112 LYS CA C 55.779 0.070 . 1221 112 112 LYS CB C 34.650 0.012 . 1222 112 112 LYS CD C 29.399 0.019 . 1223 112 112 LYS CE C 42.079 0.034 . 1224 112 112 LYS CG C 24.636 0.084 . 1225 112 112 LYS N N 122.175 0.039 . 1226 113 113 LEU H H 8.864 0.006 . 1227 113 113 LEU HA H 4.762 0.007 . 1228 113 113 LEU HB2 H 1.684 0.009 . 1229 113 113 LEU HB3 H 1.126 0.004 . 1230 113 113 LEU HD1 H 0.902 0.004 . 1231 113 113 LEU HD2 H 0.869 0.006 . 1232 113 113 LEU HG H 1.556 0.003 . 1233 113 113 LEU C C 175.017 0.010 . 1234 113 113 LEU CA C 53.473 0.029 . 1235 113 113 LEU CB C 46.529 0.045 . 1236 113 113 LEU CD1 C 23.534 0.045 . 1237 113 113 LEU N N 124.697 0.033 . 1238 114 114 VAL H H 8.439 0.004 . 1239 114 114 VAL HA H 4.748 0.005 . 1240 114 114 VAL HB H 1.972 0.008 . 1241 114 114 VAL HG1 H 0.877 0.002 . 1242 114 114 VAL HG2 H 0.843 0.001 . 1243 114 114 VAL C C 174.146 0.007 . 1244 114 114 VAL CA C 61.847 0.012 . 1245 114 114 VAL CB C 33.610 0.114 . 1246 114 114 VAL CG1 C 21.633 0.046 . 1247 114 114 VAL CG2 C 21.410 0.016 . 1248 114 114 VAL N N 123.436 0.046 . 1249 115 115 PHE H H 9.157 0.005 . 1250 115 115 PHE HA H 5.825 0.007 . 1251 115 115 PHE HB2 H 2.575 0.008 . 1252 115 115 PHE HB3 H 2.722 0.005 . 1253 115 115 PHE HD1 H 6.842 0.008 . 1254 115 115 PHE HD2 H 6.842 0.008 . 1255 115 115 PHE HE1 H 6.969 0.008 . 1256 115 115 PHE HE2 H 6.969 0.008 . 1257 115 115 PHE HZ H 6.995 0.006 . 1258 115 115 PHE C C 175.505 0.012 . 1259 115 115 PHE CA C 55.523 0.038 . 1260 115 115 PHE CB C 44.041 0.046 . 1261 115 115 PHE CD1 C 131.435 0.017 . 1262 115 115 PHE CD2 C 131.441 0.000 . 1263 115 115 PHE CE1 C 130.977 0.042 . 1264 115 115 PHE CE2 C 130.901 0.000 . 1265 115 115 PHE CZ C 128.765 0.000 . 1266 115 115 PHE N N 122.652 0.042 . 1267 116 116 GLN H H 9.148 0.005 . 1268 116 116 GLN HA H 5.443 0.010 . 1269 116 116 GLN HB2 H 1.895 0.006 . 1270 116 116 GLN HB3 H 1.825 0.008 . 1271 116 116 GLN HE21 H 7.349 0.001 . 1272 116 116 GLN HE22 H 6.721 0.001 . 1273 116 116 GLN HG2 H 2.305 0.005 . 1274 116 116 GLN HG3 H 2.305 0.005 . 1275 116 116 GLN C C 176.082 0.011 . 1276 116 116 GLN CA C 54.803 0.055 . 1277 116 116 GLN CB C 30.814 0.048 . 1278 116 116 GLN CG C 34.510 0.025 . 1279 116 116 GLN N N 117.893 0.026 . 1280 116 116 GLN NE2 N 111.151 0.056 . 1281 117 117 LEU H H 9.643 0.005 . 1282 117 117 LEU HA H 5.100 0.008 . 1283 117 117 LEU HB2 H 1.567 0.007 . 1284 117 117 LEU HB3 H 1.517 0.009 . 1285 117 117 LEU HD1 H 0.773 0.004 . 1286 117 117 LEU HD2 H 0.681 0.004 . 1287 117 117 LEU HG H 1.599 0.007 . 1288 117 117 LEU CA C 51.472 0.005 . 1289 117 117 LEU CB C 43.693 0.009 . 1290 117 117 LEU CD1 C 26.678 0.035 . 1291 117 117 LEU CD2 C 23.975 0.016 . 1292 117 117 LEU CG C 27.383 0.025 . 1293 117 117 LEU N N 126.616 0.037 . 1294 118 118 PRO HA H 4.596 0.004 . 1295 118 118 PRO HB2 H 2.388 0.004 . 1296 118 118 PRO HB3 H 1.837 0.007 . 1297 118 118 PRO HD2 H 3.445 0.012 . 1298 118 118 PRO HD3 H 4.085 0.015 . 1299 118 118 PRO HG2 H 2.089 0.007 . 1300 118 118 PRO HG3 H 2.089 0.007 . 1301 118 118 PRO C C 177.466 0.016 . 1302 118 118 PRO CA C 62.465 0.048 . 1303 118 118 PRO CB C 32.311 0.038 . 1304 118 118 PRO CD C 50.933 0.052 . 1305 118 118 PRO CG C 28.184 0.054 . 1306 119 119 PHE H H 8.963 0.004 . 1307 119 119 PHE HA H 4.229 0.006 . 1308 119 119 PHE HB2 H 3.277 0.008 . 1309 119 119 PHE HB3 H 2.830 0.008 . 1310 119 119 PHE HD1 H 7.232 0.003 . 1311 119 119 PHE HD2 H 7.232 0.003 . 1312 119 119 PHE HE1 H 7.405 0.004 . 1313 119 119 PHE HE2 H 7.405 0.004 . 1314 119 119 PHE C C 176.437 0.006 . 1315 119 119 PHE CA C 59.683 0.086 . 1316 119 119 PHE CB C 39.479 0.023 . 1317 119 119 PHE CD1 C 132.204 0.064 . 1318 119 119 PHE CD2 C 132.280 0.000 . 1319 119 119 PHE CE1 C 131.800 0.000 . 1320 119 119 PHE N N 123.184 0.044 . 1321 120 120 GLY H H 7.542 0.003 . 1322 120 120 GLY HA2 H 3.302 0.001 . 1323 120 120 GLY HA3 H 4.561 0.004 . 1324 120 120 GLY CA C 44.553 0.012 . 1325 120 120 GLY N N 113.307 0.027 . 1326 122 122 HIS HA H 4.378 0.013 . 1327 122 122 HIS HB2 H 3.111 0.012 . 1328 122 122 HIS HB3 H 3.194 0.004 . 1329 122 122 HIS HD2 H 7.117 0.005 . 1330 122 122 HIS HE1 H 8.059 0.019 . 1331 122 122 HIS C C 177.141 0.015 . 1332 122 122 HIS CA C 60.688 0.020 . 1333 122 122 HIS CB C 30.311 0.029 . 1334 122 122 HIS CD2 C 118.229 0.038 . 1335 122 122 HIS CE1 C 114.272 0.040 . 1336 123 123 THR H H 7.709 0.005 . 1337 123 123 THR HA H 3.632 0.007 . 1338 123 123 THR HB H 4.221 0.011 . 1339 123 123 THR HG1 H 6.287 0.001 . 1340 123 123 THR HG2 H 1.031 0.006 . 1341 123 123 THR C C 175.799 0.023 . 1342 123 123 THR CA C 66.436 0.044 . 1343 123 123 THR CB C 68.668 0.030 . 1344 123 123 THR CG2 C 23.847 0.027 . 1345 123 123 THR N N 117.875 0.040 . 1346 124 124 ARG H H 7.727 0.005 . 1347 124 124 ARG HA H 3.891 0.009 . 1348 124 124 ARG HB2 H 1.905 0.009 . 1349 124 124 ARG HB3 H 1.905 0.009 . 1350 124 124 ARG HD2 H 3.126 0.019 . 1351 124 124 ARG HD3 H 3.178 0.019 . 1352 124 124 ARG HG2 H 1.694 0.002 . 1353 124 124 ARG HG3 H 1.599 0.004 . 1354 124 124 ARG C C 178.564 0.001 . 1355 124 124 ARG CA C 59.349 0.053 . 1356 124 124 ARG CB C 28.515 0.039 . 1357 124 124 ARG CD C 42.404 0.032 . 1358 124 124 ARG CG C 26.122 0.028 . 1359 124 124 ARG N N 119.925 0.051 . 1360 125 125 THR H H 8.441 0.005 . 1361 125 125 THR HA H 3.867 0.006 . 1362 125 125 THR HB H 4.170 0.010 . 1363 125 125 THR HG2 H 1.186 0.004 . 1364 125 125 THR C C 175.510 0.037 . 1365 125 125 THR CA C 66.939 0.055 . 1366 125 125 THR CB C 68.392 0.044 . 1367 125 125 THR CG2 C 22.086 0.015 . 1368 125 125 THR N N 118.501 0.038 . 1369 126 126 PHE H H 8.393 0.007 . 1370 126 126 PHE HA H 3.801 0.004 . 1371 126 126 PHE HB2 H 2.566 0.009 . 1372 126 126 PHE HB3 H 3.321 0.009 . 1373 126 126 PHE HD1 H 6.836 0.006 . 1374 126 126 PHE HD2 H 6.836 0.006 . 1375 126 126 PHE HE1 H 6.787 0.006 . 1376 126 126 PHE HE2 H 6.787 0.006 . 1377 126 126 PHE HZ H 6.689 0.006 . 1378 126 126 PHE C C 175.651 0.021 . 1379 126 126 PHE CA C 62.542 0.043 . 1380 126 126 PHE CB C 38.766 0.037 . 1381 126 126 PHE CD1 C 132.110 0.027 . 1382 126 126 PHE CE1 C 130.301 0.052 . 1383 126 126 PHE CZ C 129.662 0.018 . 1384 126 126 PHE N N 123.173 0.072 . 1385 127 127 LEU H H 8.356 0.004 . 1386 127 127 LEU HA H 3.641 0.008 . 1387 127 127 LEU HB2 H 1.442 0.009 . 1388 127 127 LEU HB3 H 1.931 0.006 . 1389 127 127 LEU HD1 H 0.771 0.012 . 1390 127 127 LEU HD2 H 0.845 0.008 . 1391 127 127 LEU HG H 2.007 0.018 . 1392 127 127 LEU C C 179.988 0.005 . 1393 127 127 LEU CA C 58.039 0.081 . 1394 127 127 LEU CB C 40.853 0.017 . 1395 127 127 LEU CD1 C 25.729 0.001 . 1396 127 127 LEU CD2 C 22.921 0.033 . 1397 127 127 LEU CG C 26.890 0.000 . 1398 127 127 LEU N N 118.133 0.039 . 1399 128 128 GLN H H 8.120 0.006 . 1400 128 128 GLN HA H 3.993 0.008 . 1401 128 128 GLN HB2 H 2.047 0.006 . 1402 128 128 GLN HB3 H 2.252 0.005 . 1403 128 128 GLN HE21 H 7.427 0.002 . 1404 128 128 GLN HE22 H 6.799 0.002 . 1405 128 128 GLN HG2 H 2.466 0.006 . 1406 128 128 GLN HG3 H 2.269 0.006 . 1407 128 128 GLN C C 178.803 0.014 . 1408 128 128 GLN CA C 58.988 0.114 . 1409 128 128 GLN CB C 28.675 0.050 . 1410 128 128 GLN CG C 34.271 0.003 . 1411 128 128 GLN N N 120.177 0.096 . 1412 128 128 GLN NE2 N 111.091 0.054 . 1413 129 129 GLU H H 8.513 0.005 . 1414 129 129 GLU HA H 3.933 0.007 . 1415 129 129 GLU HB2 H 1.715 0.006 . 1416 129 129 GLU HB3 H 1.715 0.006 . 1417 129 129 GLU HG2 H 1.980 0.006 . 1418 129 129 GLU HG3 H 2.365 0.003 . 1419 129 129 GLU C C 179.727 0.045 . 1420 129 129 GLU CA C 58.398 0.040 . 1421 129 129 GLU CB C 28.758 0.077 . 1422 129 129 GLU CG C 35.362 0.013 . 1423 129 129 GLU N N 119.854 0.050 . 1424 130 130 VAL H H 8.117 0.008 . 1425 130 130 VAL HA H 3.061 0.004 . 1426 130 130 VAL HB H 1.744 0.006 . 1427 130 130 VAL HG1 H 0.783 0.004 . 1428 130 130 VAL HG2 H 0.163 0.004 . 1429 130 130 VAL C C 177.291 0.015 . 1430 130 130 VAL CA C 66.815 0.045 . 1431 130 130 VAL CB C 31.263 0.020 . 1432 130 130 VAL CG1 C 22.696 0.026 . 1433 130 130 VAL CG2 C 23.598 0.039 . 1434 130 130 VAL N N 119.684 0.071 . 1435 131 131 ALA H H 7.674 0.006 . 1436 131 131 ALA HA H 4.131 0.009 . 1437 131 131 ALA HB H 1.473 0.009 . 1438 131 131 ALA C C 181.151 0.007 . 1439 131 131 ALA CA C 55.784 0.029 . 1440 131 131 ALA CB C 17.954 0.045 . 1441 131 131 ALA N N 119.993 0.057 . 1442 132 132 ARG H H 7.757 0.007 . 1443 132 132 ARG HA H 3.838 0.006 . 1444 132 132 ARG HB2 H 1.718 0.007 . 1445 132 132 ARG HB3 H 1.718 0.007 . 1446 132 132 ARG HD2 H 3.033 0.003 . 1447 132 132 ARG HD3 H 3.081 0.008 . 1448 132 132 ARG HG2 H 1.651 0.004 . 1449 132 132 ARG HG3 H 1.555 0.005 . 1450 132 132 ARG C C 176.473 0.018 . 1451 132 132 ARG CA C 57.960 0.042 . 1452 132 132 ARG CB C 30.402 0.045 . 1453 132 132 ARG CD C 43.582 0.066 . 1454 132 132 ARG CG C 27.514 0.124 . 1455 132 132 ARG N N 115.893 0.032 . 1456 133 133 ALA H H 7.237 0.004 . 1457 133 133 ALA HA H 3.797 0.008 . 1458 133 133 ALA HB H 0.458 0.005 . 1459 133 133 ALA C C 176.758 0.017 . 1460 133 133 ALA CA C 52.273 0.056 . 1461 133 133 ALA CB C 18.298 0.032 . 1462 133 133 ALA N N 120.200 0.013 . 1463 134 134 CYS H H 7.118 0.006 . 1464 134 134 CYS HA H 4.340 0.009 . 1465 134 134 CYS HB2 H 3.093 0.009 . 1466 134 134 CYS HB3 H 3.093 0.009 . 1467 134 134 CYS CA C 59.939 0.001 . 1468 134 134 CYS CB C 27.135 0.037 . 1469 134 134 CYS N N 118.768 0.042 . 1470 135 135 PRO HA H 4.489 0.015 . 1471 135 135 PRO HB2 H 2.468 0.006 . 1472 135 135 PRO HB3 H 1.997 0.005 . 1473 135 135 PRO HD2 H 3.679 0.012 . 1474 135 135 PRO HD3 H 4.018 0.008 . 1475 135 135 PRO HG2 H 2.220 0.007 . 1476 135 135 PRO HG3 H 1.945 0.003 . 1477 135 135 PRO C C 177.323 0.008 . 1478 135 135 PRO CA C 64.283 0.027 . 1479 135 135 PRO CB C 32.099 0.041 . 1480 135 135 PRO CD C 51.370 0.072 . 1481 135 135 PRO CG C 27.968 0.028 . 1482 136 136 GLY H H 8.487 0.005 . 1483 136 136 GLY HA2 H 3.984 0.009 . 1484 136 136 GLY HA3 H 3.842 0.008 . 1485 136 136 GLY C C 173.370 0.079 . 1486 136 136 GLY CA C 45.058 0.017 . 1487 136 136 GLY N N 107.203 0.045 . 1488 137 137 PHE H H 7.885 0.003 . 1489 137 137 PHE HA H 4.591 0.009 . 1490 137 137 PHE HB2 H 3.074 0.009 . 1491 137 137 PHE HB3 H 3.231 0.009 . 1492 137 137 PHE HD1 H 7.292 0.002 . 1493 137 137 PHE HD2 H 7.292 0.002 . 1494 137 137 PHE HE1 H 7.393 0.004 . 1495 137 137 PHE HE2 H 7.393 0.004 . 1496 137 137 PHE C C 175.968 0.019 . 1497 137 137 PHE CA C 58.086 0.020 . 1498 137 137 PHE CB C 39.279 0.058 . 1499 137 137 PHE CD1 C 131.800 0.000 . 1500 137 137 PHE CD2 C 131.800 0.000 . 1501 137 137 PHE CE1 C 131.797 0.005 . 1502 137 137 PHE CE2 C 131.800 0.000 . 1503 137 137 PHE N N 116.883 0.045 . 1504 138 138 ASP H H 7.956 0.005 . 1505 138 138 ASP HA H 4.864 0.007 . 1506 138 138 ASP HB2 H 2.603 0.009 . 1507 138 138 ASP HB3 H 2.851 0.010 . 1508 138 138 ASP CA C 52.219 0.012 . 1509 138 138 ASP CB C 41.692 0.127 . 1510 138 138 ASP N N 121.924 0.061 . 1511 139 139 PRO HA H 4.387 0.004 . 1512 139 139 PRO HB2 H 2.372 0.004 . 1513 139 139 PRO HB3 H 1.998 0.007 . 1514 139 139 PRO HD2 H 3.881 0.005 . 1515 139 139 PRO HD3 H 3.814 0.011 . 1516 139 139 PRO HG2 H 2.054 0.006 . 1517 139 139 PRO HG3 H 2.054 0.006 . 1518 139 139 PRO C C 177.510 0.006 . 1519 139 139 PRO CA C 64.429 0.028 . 1520 139 139 PRO CB C 32.350 0.029 . 1521 139 139 PRO CD C 51.044 0.008 . 1522 139 139 PRO CG C 27.337 0.033 . 1523 140 140 GLU H H 8.470 0.004 . 1524 140 140 GLU HA H 4.253 0.001 . 1525 140 140 GLU HB2 H 2.010 0.004 . 1526 140 140 GLU HB3 H 1.905 0.006 . 1527 140 140 GLU HG2 H 2.173 0.003 . 1528 140 140 GLU HG3 H 2.173 0.003 . 1529 140 140 GLU C C 176.990 0.013 . 1530 140 140 GLU CA C 56.731 0.052 . 1531 140 140 GLU CB C 29.508 0.047 . 1532 140 140 GLU N N 116.150 0.046 . 1533 141 141 THR H H 7.629 0.005 . 1534 141 141 THR HA H 4.218 0.005 . 1535 141 141 THR HB H 4.170 0.007 . 1536 141 141 THR HG2 H 1.334 0.009 . 1537 141 141 THR C C 174.494 0.000 . 1538 141 141 THR CA C 62.479 0.042 . 1539 141 141 THR CB C 69.831 0.002 . 1540 141 141 THR CG2 C 22.021 0.057 . 1541 141 141 THR N N 115.711 0.033 . 1542 142 142 ARG H H 8.585 0.006 . 1543 142 142 ARG HA H 4.202 0.007 . 1544 142 142 ARG HB2 H 1.813 0.004 . 1545 142 142 ARG HB3 H 1.755 0.003 . 1546 142 142 ARG HD2 H 3.146 0.006 . 1547 142 142 ARG HD3 H 3.146 0.006 . 1548 142 142 ARG HG2 H 1.536 0.010 . 1549 142 142 ARG HG3 H 1.536 0.010 . 1550 142 142 ARG C C 175.786 0.006 . 1551 142 142 ARG CA C 56.109 0.037 . 1552 142 142 ARG CB C 30.931 0.031 . 1553 142 142 ARG CG C 27.190 0.000 . 1554 142 142 ARG N N 127.015 0.036 . 1555 143 143 ASP H H 8.624 0.005 . 1556 143 143 ASP HA H 4.830 0.009 . 1557 143 143 ASP HB2 H 2.676 0.008 . 1558 143 143 ASP HB3 H 2.531 0.008 . 1559 143 143 ASP CA C 52.730 0.000 . 1560 143 143 ASP CB C 40.533 0.018 . 1561 143 143 ASP N N 125.690 0.040 . 1562 144 144 PRO HA H 4.314 0.002 . 1563 144 144 PRO HB2 H 1.093 0.003 . 1564 144 144 PRO HB3 H 1.971 0.001 . 1565 144 144 PRO HD2 H 3.971 0.001 . 1566 144 144 PRO HD3 H 4.049 0.002 . 1567 144 144 PRO HG2 H 2.223 0.007 . 1568 144 144 PRO HG3 H 2.223 0.007 . 1569 144 144 PRO C C 176.306 0.013 . 1570 144 144 PRO CA C 62.252 0.011 . 1571 144 144 PRO CB C 31.768 0.002 . 1572 144 144 PRO CD C 50.180 0.000 . 1573 144 144 PRO CG C 28.118 0.027 . 1574 145 145 GLU H H 8.944 0.003 . 1575 145 145 GLU HA H 4.316 0.012 . 1576 145 145 GLU HB2 H 2.029 0.000 . 1577 145 145 GLU HB3 H 2.029 0.000 . 1578 145 145 GLU HG2 H 2.154 0.019 . 1579 145 145 GLU HG3 H 2.154 0.019 . 1580 145 145 GLU C C 177.226 0.000 . 1581 145 145 GLU CA C 57.202 0.003 . 1582 145 145 GLU CB C 31.905 0.000 . 1583 145 145 GLU N N 120.509 0.030 . 1584 146 146 PHE H H 9.324 0.006 . 1585 146 146 PHE HA H 3.963 0.009 . 1586 146 146 PHE HB2 H 2.980 0.006 . 1587 146 146 PHE HB3 H 2.938 0.006 . 1588 146 146 PHE HD1 H 7.560 0.005 . 1589 146 146 PHE HD2 H 7.560 0.005 . 1590 146 146 PHE HE1 H 6.905 0.007 . 1591 146 146 PHE HE2 H 6.905 0.007 . 1592 146 146 PHE HZ H 7.257 0.010 . 1593 146 146 PHE C C 177.149 0.000 . 1594 146 146 PHE CA C 59.322 0.095 . 1595 146 146 PHE CB C 35.660 0.020 . 1596 146 146 PHE CD1 C 131.726 0.022 . 1597 146 146 PHE CD2 C 131.747 0.000 . 1598 146 146 PHE CE1 C 131.729 0.054 . 1599 146 146 PHE CE2 C 131.722 0.000 . 1600 146 146 PHE CZ C 130.000 0.000 . 1601 146 146 PHE N N 115.501 0.009 . 1602 147 147 GLU H H 9.212 0.011 . 1603 147 147 GLU HA H 4.082 0.007 . 1604 147 147 GLU HB2 H 2.080 0.005 . 1605 147 147 GLU HB3 H 2.144 0.011 . 1606 147 147 GLU HG2 H 2.368 0.007 . 1607 147 147 GLU HG3 H 2.286 0.004 . 1608 147 147 GLU C C 177.752 0.000 . 1609 147 147 GLU CA C 59.892 0.125 . 1610 147 147 GLU CB C 29.337 0.007 . 1611 147 147 GLU CG C 36.517 0.060 . 1612 147 147 GLU N N 122.508 0.029 . 1613 148 148 TRP H H 7.341 0.005 . 1614 148 148 TRP HA H 4.181 0.000 . 1615 148 148 TRP HB2 H 2.981 0.013 . 1616 148 148 TRP HB3 H 2.981 0.013 . 1617 148 148 TRP HD1 H 7.224 0.006 . 1618 148 148 TRP HE1 H 11.109 0.011 . 1619 148 148 TRP HE3 H 7.824 0.009 . 1620 148 148 TRP HH2 H 7.002 0.008 . 1621 148 148 TRP HZ2 H 7.105 0.007 . 1622 148 148 TRP HZ3 H 6.881 0.013 . 1623 148 148 TRP C C 177.394 0.000 . 1624 148 148 TRP CA C 55.329 0.000 . 1625 148 148 TRP CD1 C 126.864 0.033 . 1626 148 148 TRP CE3 C 122.735 0.049 . 1627 148 148 TRP CH2 C 124.921 0.024 . 1628 148 148 TRP CZ2 C 112.918 0.026 . 1629 148 148 TRP CZ3 C 122.485 0.023 . 1630 148 148 TRP N N 115.221 0.090 . 1631 148 148 TRP NE1 N 133.081 0.055 . 1632 149 149 LEU H H 6.608 0.005 . 1633 149 149 LEU HA H 3.840 0.011 . 1634 149 149 LEU HB2 H 1.556 0.007 . 1635 149 149 LEU HB3 H 1.099 0.010 . 1636 149 149 LEU HD1 H -0.239 0.008 . 1637 149 149 LEU HD2 H 0.290 0.009 . 1638 149 149 LEU HG H 1.283 0.001 . 1639 149 149 LEU C C 178.884 0.011 . 1640 149 149 LEU CA C 56.658 0.108 . 1641 149 149 LEU CB C 40.250 0.086 . 1642 149 149 LEU CD1 C 21.385 0.047 . 1643 149 149 LEU CD2 C 25.395 0.090 . 1644 149 149 LEU CG C 24.673 0.041 . 1645 149 149 LEU N N 118.616 0.047 . 1646 150 150 SER H H 7.767 0.005 . 1647 150 150 SER HA H 4.167 0.009 . 1648 150 150 SER HB2 H 3.971 0.005 . 1649 150 150 SER HB3 H 3.971 0.005 . 1650 150 150 SER C C 174.862 0.059 . 1651 150 150 SER CA C 60.759 0.044 . 1652 150 150 SER CB C 62.791 0.042 . 1653 150 150 SER N N 114.702 0.080 . 1654 151 151 ARG H H 7.041 0.017 . 1655 151 151 ARG HA H 4.186 0.010 . 1656 151 151 ARG HB2 H 1.608 0.005 . 1657 151 151 ARG HB3 H 1.771 0.003 . 1658 151 151 ARG HD2 H 3.194 0.011 . 1659 151 151 ARG HD3 H 3.194 0.011 . 1660 151 151 ARG HG2 H 1.489 0.005 . 1661 151 151 ARG HG3 H 1.592 0.002 . 1662 151 151 ARG C C 175.346 0.077 . 1663 151 151 ARG CA C 56.518 0.057 . 1664 151 151 ARG CB C 29.650 0.014 . 1665 151 151 ARG CD C 43.279 0.043 . 1666 151 151 ARG CG C 26.678 0.133 . 1667 151 151 ARG N N 117.834 0.053 . 1668 152 152 HIS H H 7.615 0.012 . 1669 152 152 HIS HA H 4.600 0.015 . 1670 152 152 HIS HB2 H 2.824 0.006 . 1671 152 152 HIS HB3 H 2.737 0.006 . 1672 152 152 HIS HD2 H 7.148 0.007 . 1673 152 152 HIS HE1 H 8.701 0.007 . 1674 152 152 HIS C C 173.625 0.098 . 1675 152 152 HIS CA C 54.990 0.045 . 1676 152 152 HIS CB C 30.369 0.050 . 1677 152 152 HIS CD2 C 122.219 0.071 . 1678 152 152 HIS CE1 C 113.345 0.000 . 1679 152 152 HIS N N 117.160 0.091 . 1680 153 153 THR H H 8.222 0.031 . 1681 153 153 THR HA H 4.323 0.011 . 1682 153 153 THR HB H 4.027 0.017 . 1683 153 153 THR HG2 H 1.146 0.006 . 1684 153 153 THR C C 174.067 0.031 . 1685 153 153 THR CA C 61.694 0.050 . 1686 153 153 THR CB C 70.107 0.037 . 1687 153 153 THR CG2 C 21.502 0.064 . 1688 153 153 THR N N 116.387 0.261 . 1689 154 154 CYS H H 8.566 0.019 . 1690 154 154 CYS HA H 4.306 0.020 . 1691 154 154 CYS HB2 H 2.727 0.006 . 1692 154 154 CYS HB3 H 2.790 0.008 . 1693 154 154 CYS C C 173.869 0.001 . 1694 154 154 CYS CA C 58.435 0.058 . 1695 154 154 CYS CB C 28.402 0.039 . 1696 154 154 CYS N N 123.812 0.218 . 1697 155 155 ALA H H 8.348 0.020 . 1698 155 155 ALA HA H 4.258 0.006 . 1699 155 155 ALA HB H 1.355 0.006 . 1700 155 155 ALA C C 177.261 0.000 . 1701 155 155 ALA CA C 52.392 0.096 . 1702 155 155 ALA CB C 19.562 0.023 . 1703 155 155 ALA N N 125.499 0.035 . 1704 156 156 GLU H H 8.421 0.006 . 1705 156 156 GLU HA H 4.504 0.011 . 1706 156 156 GLU HB2 H 1.855 0.007 . 1707 156 156 GLU HB3 H 2.001 0.007 . 1708 156 156 GLU HG2 H 2.276 0.004 . 1709 156 156 GLU HG3 H 2.276 0.004 . 1710 156 156 GLU CA C 54.426 0.047 . 1711 156 156 GLU CB C 29.591 0.071 . 1712 156 156 GLU CG C 36.001 0.000 . 1713 156 156 GLU N N 122.217 0.060 . 1714 157 157 PRO HA H 4.365 0.006 . 1715 157 157 PRO HB2 H 1.853 0.008 . 1716 157 157 PRO HB3 H 2.250 0.004 . 1717 157 157 PRO HD2 H 3.783 0.006 . 1718 157 157 PRO HD3 H 3.655 0.005 . 1719 157 157 PRO HG2 H 1.972 0.001 . 1720 157 157 PRO HG3 H 1.972 0.001 . 1721 157 157 PRO C C 176.736 0.015 . 1722 157 157 PRO CA C 63.193 0.099 . 1723 157 157 PRO CB C 32.128 0.039 . 1724 157 157 PRO CD C 50.603 0.015 . 1725 157 157 PRO CG C 27.344 0.022 . 1726 158 158 ASP H H 8.417 0.007 . 1727 158 158 ASP HA H 4.505 0.003 . 1728 158 158 ASP HB2 H 2.665 0.007 . 1729 158 158 ASP HB3 H 2.575 0.015 . 1730 158 158 ASP C C 176.080 0.000 . 1731 158 158 ASP CA C 54.261 0.044 . 1732 158 158 ASP CB C 41.141 0.027 . 1733 158 158 ASP N N 120.534 0.261 . 1734 159 159 ALA H H 8.204 0.003 . 1735 159 159 ALA HA H 4.256 0.007 . 1736 159 159 ALA HB H 1.370 0.008 . 1737 159 159 ALA C C 177.756 0.000 . 1738 159 159 ALA CA C 52.719 0.121 . 1739 159 159 ALA CB C 19.500 0.000 . 1740 159 159 ALA N N 124.500 0.045 . 1741 160 160 GLU H H 8.402 0.002 . 1742 160 160 GLU HA H 4.246 0.004 . 1743 160 160 GLU HB2 H 2.066 0.024 . 1744 160 160 GLU HB3 H 1.908 0.004 . 1745 160 160 GLU HG2 H 2.220 0.036 . 1746 160 160 GLU HG3 H 2.220 0.036 . 1747 160 160 GLU C C 175.726 0.000 . 1748 160 160 GLU CA C 56.381 0.088 . 1749 160 160 GLU N N 120.305 0.046 . 1750 161 161 SER H H 7.880 0.002 . 1751 161 161 SER HA H 4.682 0.001 . 1752 161 161 SER HB2 H 3.829 0.018 . 1753 161 161 SER HB3 H 3.780 0.000 . 1754 161 161 SER CA C 56.630 0.000 . 1755 161 161 SER CB C 63.200 0.000 . 1756 161 161 SER N N 122.187 0.018 . stop_ save_