NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
23031 | 2jsw | 15411 | cing | 1-original | 2 | STAR | chemical shift |
################################################################### # Chemical Shift Ambiguity Code Definitions # # # # Codes Definition # # # # 1 Unique # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups # # 3 Aromatic atoms on opposite sides of the ring # # (e.g. Tyr HE1 and HE2 protons) # # 4 Intraresidue ambiguities (e.g. Lys HG and # # HD protons) # # 5 Interresidue ambiguities (Lys 12 vs. Lys 27) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### # INSTRUCTIONS # 1) Replace the @-signs with appropriate values. # 2) Text comments concerning the assignments can be # supplied in the full deposition. # 3) Feel free to add or delete rows to the table as needed. # The row numbers (_Atom_shift_assign_ID values) will be # re-assigned to sequential values by BMRB # The atom table chosen for this sequence is: loop_ _Atom_shift_assign_ID _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code # #Atom Residue #shift Seq Residue Atom Atom Shift/ Error/ Ambiguity #assign code Label Name Type ppm ppm Code #--------------------------------------------------------------- # 1 1 GLY CA C 45.422 0.000 1 2 1 GLY HA2 H 4.013 0.000 1 3 1 GLY HA3 H 4.013 0.000 1 4 2 ILE CA C 61.119 0.000 1 5 2 ILE CB C 39.191 0.000 1 6 2 ILE CD1 C 13.215 0.000 1 7 2 ILE CG1 C 27.239 0.000 1 8 2 ILE CG2 C 17.643 0.000 1 9 2 ILE HA H 4.301 0.000 1 10 2 ILE HB H 1.902 0.000 1 11 2 ILE HD11 H 0.926 0.000 1 12 2 ILE HD12 H 0.926 0.000 1 13 2 ILE HD13 H 0.926 0.000 1 14 2 ILE HG12 H 1.504 0.000 1 15 2 ILE HG13 H 1.236 0.000 1 16 2 ILE HG21 H 0.957 0.000 1 17 2 ILE HG22 H 0.957 0.000 1 18 2 ILE HG23 H 0.957 0.000 1 19 3 ASP CA C 52.203 0.000 1 20 3 ASP CB C 41.614 0.000 1 21 3 ASP HA H 4.966 0.000 1 22 3 ASP HB2 H 2.642 0.000 1 23 3 ASP HB3 H 2.820 0.000 1 24 4 PRO C C 176.783 0.000 1 25 4 PRO CA C 63.786 0.000 1 26 4 PRO CB C 32.050 0.002 1 27 4 PRO CD C 50.920 0.002 1 28 4 PRO CG C 26.989 0.003 1 29 4 PRO HA H 4.418 0.000 1 30 4 PRO HB2 H 1.703 0.000 1 31 4 PRO HB3 H 2.230 0.000 1 32 4 PRO HD2 H 3.817 0.000 1 33 4 PRO HD3 H 3.931 0.000 1 34 4 PRO HG2 H 1.985 0.000 1 35 4 PRO HG3 H 1.803 0.000 1 36 5 PHE C C 176.066 0.000 1 37 5 PHE CA C 58.090 0.000 1 38 5 PHE CB C 39.057 0.001 1 39 5 PHE CD1 C 131.806 0.000 3 40 5 PHE CD2 C 131.806 0.000 3 41 5 PHE CE1 C 131.287 0.000 3 42 5 PHE CE2 C 131.287 0.000 3 43 5 PHE CZ C 129.609 0.000 1 44 5 PHE H H 8.194 0.000 1 45 5 PHE HA H 4.688 0.000 1 46 5 PHE HB2 H 3.172 0.000 1 47 5 PHE HB3 H 3.288 0.000 1 48 5 PHE HD1 H 7.406 0.000 3 49 5 PHE HD2 H 7.406 0.000 3 50 5 PHE HE1 H 7.463 0.000 3 51 5 PHE HE2 H 7.463 0.000 3 52 5 PHE HZ H 7.398 0.000 1 53 5 PHE N N 117.557 0.013 1 54 6 THR C C 173.477 0.000 1 55 6 THR CA C 61.998 0.000 1 56 6 THR CB C 70.067 0.000 1 57 6 THR CG2 C 21.774 0.000 1 58 6 THR H H 7.843 0.000 1 59 6 THR HA H 4.362 0.000 1 60 6 THR HB H 4.214 0.000 1 61 6 THR HG21 H 1.263 0.000 1 62 6 THR HG22 H 1.263 0.000 1 63 6 THR HG23 H 1.263 0.000 1 64 6 THR N N 113.995 0.001 1 65 7 ASP C C 175.321 0.000 1 66 7 ASP CA C 52.177 0.000 1 67 7 ASP CB C 42.126 0.000 1 68 7 ASP H H 8.079 0.001 1 69 7 ASP HA H 4.940 0.000 1 70 7 ASP HB2 H 2.768 0.000 1 71 7 ASP HB3 H 2.929 0.000 1 72 7 ASP N N 124.792 0.029 1 73 8 PRO C C 178.213 0.000 1 74 8 PRO CA C 64.873 0.000 1 75 8 PRO CB C 32.449 0.000 1 76 8 PRO CD C 51.388 0.003 1 77 8 PRO CG C 27.496 0.000 1 78 8 PRO HA H 4.402 0.000 1 79 8 PRO HB2 H 2.100 0.000 1 80 8 PRO HB3 H 2.454 0.000 1 81 8 PRO HD2 H 3.883 0.000 1 82 8 PRO HD3 H 4.070 0.000 1 83 8 PRO HG2 H 2.188 0.000 1 84 8 PRO HG3 H 2.073 0.000 1 85 9 THR C C 176.482 0.000 1 86 9 THR CA C 65.023 0.000 1 87 9 THR CB C 68.788 0.000 1 88 9 THR CG2 C 22.614 0.000 1 89 9 THR H H 8.535 0.001 1 90 9 THR HA H 4.211 0.000 1 91 9 THR HB H 4.285 0.000 1 92 9 THR HG21 H 1.338 0.000 1 93 9 THR HG22 H 1.338 0.000 1 94 9 THR HG23 H 1.338 0.000 1 95 9 THR N N 112.411 0.025 1 96 10 VAL C C 177.866 0.000 1 97 10 VAL CA C 64.832 0.000 1 98 10 VAL CB C 32.088 0.000 1 99 10 VAL CG1 C 21.241 0.000 1 100 10 VAL CG2 C 22.095 0.000 1 101 10 VAL H H 7.546 0.000 1 102 10 VAL HA H 3.989 0.000 1 103 10 VAL HB H 2.305 0.000 1 104 10 VAL HG11 H 1.012 0.000 1 105 10 VAL HG12 H 1.012 0.000 1 106 10 VAL HG13 H 1.012 0.000 1 107 10 VAL HG21 H 1.101 0.000 1 108 10 VAL HG22 H 1.101 0.000 1 109 10 VAL HG23 H 1.101 0.000 1 110 10 VAL N N 122.731 0.023 1 111 11 ILE C C 177.935 0.000 1 112 11 ILE CA C 63.540 0.000 1 113 11 ILE CB C 38.022 0.000 1 114 11 ILE CD1 C 12.826 0.000 1 115 11 ILE CG1 C 28.077 0.005 1 116 11 ILE CG2 C 17.768 0.000 1 117 11 ILE H H 7.717 0.002 1 118 11 ILE HA H 4.053 0.000 1 119 11 ILE HB H 2.006 0.000 1 120 11 ILE HD11 H 0.891 0.000 1 121 11 ILE HD12 H 0.891 0.000 1 122 11 ILE HD13 H 0.891 0.000 1 123 11 ILE HG12 H 1.577 0.000 1 124 11 ILE HG13 H 1.288 0.000 1 125 11 ILE HG21 H 1.012 0.000 1 126 11 ILE HG22 H 1.012 0.000 1 127 11 ILE HG23 H 1.012 0.000 1 128 11 ILE N N 119.241 0.002 1 129 12 ALA C C 178.768 0.000 1 130 12 ALA CA C 55.409 0.000 1 131 12 ALA CB C 17.940 0.000 1 132 12 ALA H H 8.028 0.001 1 133 12 ALA HA H 4.004 0.000 1 134 12 ALA HB1 H 1.454 0.000 1 135 12 ALA HB2 H 1.454 0.000 1 136 12 ALA HB3 H 1.454 0.000 1 137 12 ALA N N 122.258 0.015 1 138 13 GLU C C 178.353 0.000 1 139 13 GLU CA C 59.931 0.000 1 140 13 GLU CB C 29.558 0.000 1 141 13 GLU CG C 36.259 0.000 1 142 13 GLU H H 8.182 0.003 1 143 13 GLU HA H 4.084 0.000 1 144 13 GLU HB2 H 2.245 0.000 1 145 13 GLU HB3 H 2.245 0.000 1 146 13 GLU HG2 H 2.414 0.000 1 147 13 GLU HG3 H 2.414 0.000 1 148 13 GLU N N 118.071 0.033 1 149 14 ASN C C 179.066 0.000 1 150 14 ASN CA C 56.124 0.000 1 151 14 ASN CB C 38.350 0.001 1 152 14 ASN H H 8.265 0.001 1 153 14 ASN HA H 4.562 0.000 1 154 14 ASN HB2 H 2.901 0.000 1 155 14 ASN HB3 H 3.045 0.000 1 156 14 ASN HD21 H 6.920 0.000 1 157 14 ASN HD22 H 7.633 0.000 1 158 14 ASN N N 117.450 0.026 1 159 14 ASN ND2 N 111.863 0.001 1 160 15 GLU C C 180.051 0.000 1 161 15 GLU CA C 59.038 0.000 1 162 15 GLU CB C 29.763 0.004 1 163 15 GLU CG C 36.720 0.001 1 164 15 GLU H H 8.606 0.000 1 165 15 GLU HA H 4.235 0.000 1 166 15 GLU HB2 H 2.191 0.000 1 167 15 GLU HB3 H 2.075 0.000 1 168 15 GLU HG2 H 2.326 0.000 1 169 15 GLU HG3 H 2.476 0.000 1 170 15 GLU N N 121.382 0.043 1 171 16 LEU C C 179.041 0.000 1 172 16 LEU CA C 58.894 0.000 1 173 16 LEU CB C 41.124 0.006 1 174 16 LEU CD1 C 24.895 0.000 1 175 16 LEU CD2 C 24.205 0.000 1 176 16 LEU CG C 28.318 0.000 1 177 16 LEU H H 8.557 0.002 1 178 16 LEU HA H 4.042 0.000 1 179 16 LEU HB2 H 2.061 0.000 1 180 16 LEU HB3 H 1.560 0.000 1 181 16 LEU HD11 H 0.843 0.000 1 182 16 LEU HD12 H 0.843 0.000 1 183 16 LEU HD13 H 0.843 0.000 1 184 16 LEU HD21 H 0.831 0.000 1 185 16 LEU HD22 H 0.831 0.000 1 186 16 LEU HD23 H 0.831 0.000 1 187 16 LEU HG H 1.770 0.000 1 188 16 LEU N N 122.607 0.032 1 189 17 LEU C C 181.010 0.000 1 190 17 LEU CA C 58.106 0.000 1 191 17 LEU CB C 41.007 0.004 1 192 17 LEU CD1 C 22.754 0.000 1 193 17 LEU CD2 C 25.231 0.000 1 194 17 LEU CG C 26.959 0.000 1 195 17 LEU H H 8.332 0.000 1 196 17 LEU HA H 4.202 0.000 1 197 17 LEU HB2 H 1.637 0.000 1 198 17 LEU HB3 H 2.005 0.000 1 199 17 LEU HD11 H 0.977 0.000 1 200 17 LEU HD12 H 0.977 0.000 1 201 17 LEU HD13 H 0.977 0.000 1 202 17 LEU HD21 H 1.026 0.000 1 203 17 LEU HD22 H 1.026 0.000 1 204 17 LEU HD23 H 1.026 0.000 1 205 17 LEU HG H 1.954 0.000 1 206 17 LEU N N 119.578 0.006 1 207 18 GLY C C 176.864 0.000 1 208 18 GLY CA C 46.977 0.004 1 209 18 GLY H H 8.364 0.002 1 210 18 GLY HA2 H 3.988 0.000 1 211 18 GLY HA3 H 4.057 0.000 1 212 18 GLY N N 109.043 0.027 1 213 19 ALA C C 179.243 0.000 1 214 19 ALA CA C 54.970 0.000 1 215 19 ALA CB C 17.533 0.000 1 216 19 ALA H H 8.124 0.000 1 217 19 ALA HA H 4.343 0.000 1 218 19 ALA HB1 H 1.552 0.000 1 219 19 ALA HB2 H 1.552 0.000 1 220 19 ALA HB3 H 1.552 0.000 1 221 19 ALA N N 126.400 0.031 1 222 20 ALA C C 179.741 0.000 1 223 20 ALA CA C 55.764 0.000 1 224 20 ALA CB C 17.826 0.000 1 225 20 ALA H H 8.155 0.001 1 226 20 ALA HA H 4.072 0.000 1 227 20 ALA HB1 H 1.628 0.000 1 228 20 ALA HB2 H 1.628 0.000 1 229 20 ALA HB3 H 1.628 0.000 1 230 20 ALA N N 119.797 0.015 1 231 21 ALA C C 180.803 0.000 1 232 21 ALA CA C 54.989 0.000 1 233 21 ALA CB C 17.973 0.000 1 234 21 ALA H H 8.231 0.003 1 235 21 ALA HA H 4.272 0.000 1 236 21 ALA HB1 H 1.626 0.000 1 237 21 ALA HB2 H 1.626 0.000 1 238 21 ALA HB3 H 1.626 0.000 1 239 21 ALA N N 120.594 0.022 1 240 22 ALA C C 181.334 0.000 1 241 22 ALA CA C 54.991 0.000 1 242 22 ALA CB C 18.081 0.000 1 243 22 ALA H H 8.087 0.000 1 244 22 ALA HA H 4.278 0.000 1 245 22 ALA HB1 H 1.653 0.000 1 246 22 ALA HB2 H 1.653 0.000 1 247 22 ALA HB3 H 1.653 0.000 1 248 22 ALA N N 122.917 0.052 1 249 23 ILE C C 177.463 0.000 1 250 23 ILE CA C 65.940 0.000 1 251 23 ILE CB C 38.581 0.000 1 252 23 ILE CD1 C 14.420 0.000 1 253 23 ILE CG1 C 29.901 0.006 1 254 23 ILE CG2 C 18.945 0.000 1 255 23 ILE H H 8.169 0.002 1 256 23 ILE HA H 3.733 0.000 1 257 23 ILE HB H 2.050 0.000 1 258 23 ILE HD11 H 0.846 0.000 1 259 23 ILE HD12 H 0.846 0.000 1 260 23 ILE HD13 H 0.846 0.000 1 261 23 ILE HG12 H 2.063 0.000 1 262 23 ILE HG13 H 1.007 0.000 1 263 23 ILE HG21 H 1.105 0.000 1 264 23 ILE HG22 H 1.105 0.000 1 265 23 ILE HG23 H 1.105 0.000 1 266 23 ILE N N 121.645 0.053 1 267 24 GLU C C 179.389 0.000 1 268 24 GLU CA C 59.584 0.000 1 269 24 GLU CB C 29.314 0.000 1 270 24 GLU CG C 36.805 0.001 1 271 24 GLU H H 8.350 0.001 1 272 24 GLU HA H 4.081 0.000 1 273 24 GLU HB2 H 2.184 0.000 1 274 24 GLU HB3 H 2.184 0.000 1 275 24 GLU HG2 H 2.329 0.000 1 276 24 GLU HG3 H 2.563 0.000 1 277 24 GLU N N 119.790 0.002 1 278 25 ALA C C 180.628 0.000 1 279 25 ALA CA C 54.966 0.000 1 280 25 ALA CB C 17.711 0.000 1 281 25 ALA H H 8.146 0.003 1 282 25 ALA HA H 4.210 0.000 1 283 25 ALA HB1 H 1.597 0.000 1 284 25 ALA HB2 H 1.597 0.000 1 285 25 ALA HB3 H 1.597 0.000 1 286 25 ALA N N 120.994 0.000 1 287 26 ALA C C 179.951 0.000 1 288 26 ALA CA C 55.105 0.000 1 289 26 ALA CB C 17.903 0.000 1 290 26 ALA H H 7.828 0.001 1 291 26 ALA HA H 4.221 0.000 1 292 26 ALA HB1 H 1.680 0.000 1 293 26 ALA HB2 H 1.680 0.000 1 294 26 ALA HB3 H 1.680 0.000 1 295 26 ALA N N 122.691 0.028 1 296 27 ALA C C 180.772 0.000 1 297 27 ALA CA C 55.028 0.000 1 298 27 ALA CB C 18.154 0.000 1 299 27 ALA H H 8.566 0.003 1 300 27 ALA HA H 3.998 0.000 1 301 27 ALA HB1 H 1.569 0.000 1 302 27 ALA HB2 H 1.569 0.000 1 303 27 ALA HB3 H 1.569 0.000 1 304 27 ALA N N 120.168 0.025 1 305 28 LYS C C 179.462 0.000 1 306 28 LYS CA C 59.061 0.000 1 307 28 LYS CB C 32.132 0.000 1 308 28 LYS CD C 28.974 0.000 1 309 28 LYS CE C 42.266 0.000 1 310 28 LYS CG C 25.267 0.000 1 311 28 LYS H H 8.131 0.001 1 312 28 LYS HA H 4.132 0.000 1 313 28 LYS HB2 H 1.971 0.000 1 314 28 LYS HB3 H 2.043 0.000 1 315 28 LYS HD2 H 1.762 0.000 1 316 28 LYS HD3 H 1.762 0.000 1 317 28 LYS HE2 H 3.040 0.000 1 318 28 LYS HE3 H 3.040 0.000 1 319 28 LYS HG2 H 1.595 0.000 1 320 28 LYS HG3 H 1.595 0.000 1 321 28 LYS N N 118.714 0.026 1 322 29 LYS C C 179.332 0.000 1 323 29 LYS CA C 59.227 0.000 1 324 29 LYS CB C 32.139 0.000 1 325 29 LYS CD C 29.139 0.000 1 326 29 LYS CE C 42.204 0.000 1 327 29 LYS CG C 25.518 0.000 1 328 29 LYS H H 7.628 0.002 1 329 29 LYS HA H 4.135 0.000 1 330 29 LYS HB2 H 2.028 0.000 1 331 29 LYS HB3 H 2.028 0.000 1 332 29 LYS HD2 H 1.772 0.000 1 333 29 LYS HD3 H 1.772 0.000 1 334 29 LYS HE2 H 3.037 0.000 1 335 29 LYS HE3 H 3.037 0.000 1 336 29 LYS HG2 H 1.522 0.000 1 337 29 LYS HG3 H 1.522 0.000 1 338 29 LYS N N 118.640 0.015 1 339 30 LEU C C 178.817 0.000 1 340 30 LEU CA C 56.783 0.000 1 341 30 LEU CB C 41.988 0.000 1 342 30 LEU CD1 C 23.258 0.000 1 343 30 LEU CD2 C 26.291 0.000 1 344 30 LEU CG C 26.959 0.000 1 345 30 LEU H H 7.699 0.001 1 346 30 LEU HA H 4.214 0.000 1 347 30 LEU HB2 H 2.109 0.000 1 348 30 LEU HB3 H 1.541 0.000 1 349 30 LEU HD11 H 0.921 0.000 1 350 30 LEU HD12 H 0.921 0.000 1 351 30 LEU HD13 H 0.921 0.000 1 352 30 LEU HD21 H 0.958 0.000 1 353 30 LEU HD22 H 0.958 0.000 1 354 30 LEU HD23 H 0.958 0.000 1 355 30 LEU HG H 1.954 0.000 1 356 30 LEU N N 117.325 0.018 1 357 31 GLU C C 177.272 0.000 1 358 31 GLU CA C 58.273 0.000 1 359 31 GLU CB C 29.959 0.000 1 360 31 GLU CG C 36.242 0.000 1 361 31 GLU H H 7.759 0.001 1 362 31 GLU HA H 4.116 0.000 1 363 31 GLU HB2 H 2.241 0.000 1 364 31 GLU HB3 H 2.241 0.000 1 365 31 GLU HG2 H 2.505 0.000 1 366 31 GLU HG3 H 2.394 0.000 1 367 31 GLU N N 117.191 0.017 1 368 32 GLN C C 176.199 0.000 1 369 32 GLN CA C 55.973 0.000 1 370 32 GLN CB C 29.176 0.001 1 371 32 GLN CG C 34.018 0.004 1 372 32 GLN H H 7.587 0.000 1 373 32 GLN HA H 4.344 0.000 1 374 32 GLN HB2 H 2.114 0.000 1 375 32 GLN HB3 H 2.343 0.000 1 376 32 GLN HE21 H 6.883 0.000 1 377 32 GLN HE22 H 7.513 0.000 1 378 32 GLN HG2 H 2.508 0.000 1 379 32 GLN HG3 H 2.574 0.000 1 380 32 GLN N N 115.061 0.012 1 381 32 GLN NE2 N 111.709 0.007 1 382 33 LEU C C 176.262 0.000 1 383 33 LEU CA C 55.304 0.000 1 384 33 LEU CB C 42.914 0.004 1 385 33 LEU CD1 C 25.659 0.000 1 386 33 LEU CD2 C 23.371 0.000 1 387 33 LEU CG C 26.785 0.000 1 388 33 LEU H H 7.419 0.000 1 389 33 LEU HA H 4.356 0.000 1 390 33 LEU HB2 H 1.510 0.000 1 391 33 LEU HB3 H 1.949 0.000 1 392 33 LEU HD11 H 1.013 0.000 1 393 33 LEU HD12 H 1.013 0.000 1 394 33 LEU HD13 H 1.013 0.000 1 395 33 LEU HD21 H 0.946 0.000 1 396 33 LEU HD22 H 0.946 0.000 1 397 33 LEU HD23 H 0.946 0.000 1 398 33 LEU HG H 1.883 0.000 1 399 33 LEU N N 120.253 0.018 1 400 34 LYS C C 173.854 0.000 1 401 34 LYS CA C 53.412 0.000 1 402 34 LYS CB C 33.369 0.020 1 403 34 LYS CD C 29.139 0.000 1 404 34 LYS CE C 42.311 0.000 1 405 34 LYS CG C 24.464 0.000 1 406 34 LYS H H 8.217 0.006 1 407 34 LYS HA H 4.767 0.000 1 408 34 LYS HB2 H 1.769 0.000 1 409 34 LYS HB3 H 1.884 0.000 1 410 34 LYS HD2 H 1.772 0.000 1 411 34 LYS HD3 H 1.772 0.000 1 412 34 LYS HE2 H 3.086 0.000 1 413 34 LYS HE3 H 3.086 0.000 1 414 34 LYS HG2 H 1.492 0.000 1 415 34 LYS HG3 H 1.492 0.000 1 416 34 LYS N N 121.684 0.022 1 417 35 PRO C C 176.580 0.000 1 418 35 PRO CA C 63.028 0.000 1 419 35 PRO CB C 32.291 0.002 1 420 35 PRO CD C 50.670 0.000 1 421 35 PRO CG C 27.597 0.018 1 422 35 PRO HA H 4.507 0.000 1 423 35 PRO HB2 H 2.029 0.000 1 424 35 PRO HB3 H 2.344 0.000 1 425 35 PRO HD2 H 3.753 0.000 1 426 35 PRO HD3 H 3.753 0.000 1 427 35 PRO HG2 H 1.945 0.000 1 428 35 PRO HG3 H 2.136 0.000 1 429 36 ARG C C 176.082 0.000 1 430 36 ARG CA C 56.287 0.000 1 431 36 ARG CB C 31.109 0.000 1 432 36 ARG CD C 43.618 0.000 1 433 36 ARG CG C 27.355 0.000 1 434 36 ARG H H 8.588 0.002 1 435 36 ARG HA H 4.361 0.000 1 436 36 ARG HB2 H 1.916 0.000 1 437 36 ARG HB3 H 1.916 0.000 1 438 36 ARG HD2 H 3.307 0.000 1 439 36 ARG HD3 H 3.307 0.000 1 440 36 ARG HG2 H 1.785 0.000 1 441 36 ARG HG3 H 1.785 0.000 1 442 36 ARG N N 121.503 0.074 1 443 37 ALA C C 177.283 0.000 1 444 37 ALA CA C 52.660 0.000 1 445 37 ALA CB C 19.436 0.000 1 446 37 ALA H H 8.353 0.002 1 447 37 ALA HA H 4.381 0.000 1 448 37 ALA HB1 H 1.454 0.000 1 449 37 ALA HB2 H 1.454 0.000 1 450 37 ALA HB3 H 1.454 0.000 1 451 37 ALA N N 125.415 0.034 1 452 38 LYS C C 174.543 0.000 1 453 38 LYS CA C 54.158 0.000 1 454 38 LYS CB C 32.889 0.001 1 455 38 LYS CD C 29.232 0.000 1 456 38 LYS CE C 42.235 0.000 1 457 38 LYS CG C 24.527 0.000 1 458 38 LYS H H 8.236 0.001 1 459 38 LYS HA H 4.705 0.000 1 460 38 LYS HB2 H 1.792 0.000 1 461 38 LYS HB3 H 1.911 0.000 1 462 38 LYS HD2 H 1.782 0.000 1 463 38 LYS HD3 H 1.782 0.000 1 464 38 LYS HE2 H 3.099 0.000 1 465 38 LYS HE3 H 3.099 0.000 1 466 38 LYS HG2 H 1.546 0.000 1 467 38 LYS HG3 H 1.546 0.000 1 468 38 LYS N N 121.641 0.020 1 469 39 PRO C C 177.002 0.000 1 470 39 PRO CA C 63.390 0.000 1 471 39 PRO CB C 32.203 0.003 1 472 39 PRO CD C 50.737 0.003 1 473 39 PRO CG C 27.579 0.000 1 474 39 PRO HA H 4.501 0.000 1 475 39 PRO HB2 H 2.024 0.000 1 476 39 PRO HB3 H 2.408 0.000 1 477 39 PRO HD2 H 3.721 0.000 1 478 39 PRO HD3 H 3.892 0.000 1 479 39 PRO HG2 H 2.136 0.000 1 480 39 PRO HG3 H 2.136 0.000 1 481 40 LYS C C 176.870 0.000 1 482 40 LYS CA C 57.019 0.000 1 483 40 LYS CB C 32.975 0.000 1 484 40 LYS CD C 29.152 0.000 1 485 40 LYS CE C 42.235 0.000 1 486 40 LYS CG C 24.747 0.000 1 487 40 LYS H H 8.437 0.002 1 488 40 LYS HA H 4.319 0.000 1 489 40 LYS HB2 H 1.909 0.000 1 490 40 LYS HB3 H 1.909 0.000 1 491 40 LYS HD2 H 1.780 0.000 1 492 40 LYS HD3 H 1.780 0.000 1 493 40 LYS HE2 H 3.099 0.000 1 494 40 LYS HE3 H 3.099 0.000 1 495 40 LYS HG2 H 1.541 0.000 1 496 40 LYS HG3 H 1.541 0.000 1 497 40 LYS N N 121.106 0.031 1 498 41 GLU C C 176.436 0.000 1 499 41 GLU CA C 56.735 0.000 1 500 41 GLU CB C 30.149 0.017 1 501 41 GLU CG C 36.313 0.000 1 502 41 GLU H H 8.524 0.005 1 503 41 GLU HA H 4.371 0.000 1 504 41 GLU HB2 H 2.035 0.000 1 505 41 GLU HB3 H 2.198 0.000 1 506 41 GLU HG2 H 2.367 0.000 1 507 41 GLU HG3 H 2.367 0.000 1 508 41 GLU N N 120.712 0.038 1 509 42 ALA C C 177.401 0.000 1 510 42 ALA CA C 53.067 0.000 1 511 42 ALA CB C 19.321 0.000 1 512 42 ALA H H 8.272 0.003 1 513 42 ALA HA H 4.364 0.000 1 514 42 ALA HB1 H 1.496 0.000 1 515 42 ALA HB2 H 1.496 0.000 1 516 42 ALA HB3 H 1.496 0.000 1 517 42 ALA N N 123.534 0.021 1 518 43 ASP C C 176.588 0.000 1 519 43 ASP CA C 54.607 0.000 1 520 43 ASP CB C 41.411 0.000 1 521 43 ASP H H 8.201 0.002 1 522 43 ASP HA H 4.647 0.000 1 523 43 ASP HB2 H 2.788 0.000 1 524 43 ASP HB3 H 2.788 0.000 1 525 43 ASP N N 118.633 0.008 1 526 44 GLU C C 176.977 0.000 1 527 44 GLU CA C 57.370 0.000 1 528 44 GLU CB C 30.135 0.004 1 529 44 GLU CG C 36.313 0.000 1 530 44 GLU H H 8.408 0.001 1 531 44 GLU HA H 4.345 0.000 1 532 44 GLU HB2 H 2.081 0.000 1 533 44 GLU HB3 H 2.198 0.000 1 534 44 GLU HG2 H 2.367 0.000 1 535 44 GLU HG3 H 2.367 0.000 1 536 44 GLU N N 121.153 0.026 1 537 45 SER C C 174.724 0.000 1 538 45 SER CA C 59.425 0.000 1 539 45 SER CB C 63.805 0.000 1 540 45 SER H H 8.389 0.004 1 541 45 SER HA H 4.429 0.000 1 542 45 SER HB2 H 3.976 0.000 1 543 45 SER HB3 H 3.976 0.000 1 544 45 SER N N 116.579 0.032 1 545 46 LEU C C 177.423 0.000 1 546 46 LEU CA C 55.389 0.000 1 547 46 LEU CB C 42.518 0.000 1 548 46 LEU CD1 C 25.194 0.000 1 549 46 LEU CD2 C 23.770 0.000 1 550 46 LEU CG C 27.161 0.000 1 551 46 LEU H H 8.071 0.001 1 552 46 LEU HA H 4.435 0.000 1 553 46 LEU HB2 H 1.700 0.000 1 554 46 LEU HB3 H 1.700 0.000 1 555 46 LEU HD11 H 0.982 0.000 1 556 46 LEU HD12 H 0.982 0.000 1 557 46 LEU HD13 H 0.982 0.000 1 558 46 LEU HD21 H 0.919 0.000 1 559 46 LEU HD22 H 0.919 0.000 1 560 46 LEU HD23 H 0.919 0.000 1 561 46 LEU HG H 1.708 0.000 1 562 46 LEU N N 122.869 0.008 1 563 47 ASN C C 176.093 0.000 1 564 47 ASN CA C 53.346 0.000 1 565 47 ASN CB C 38.514 0.005 1 566 47 ASN H H 8.571 0.007 1 567 47 ASN HA H 4.792 0.000 1 568 47 ASN HB2 H 3.020 0.000 1 569 47 ASN HB3 H 3.050 0.000 1 570 47 ASN HD21 H 6.938 0.000 1 571 47 ASN HD22 H 7.680 0.000 1 572 47 ASN N N 120.584 0.034 1 573 47 ASN ND2 N 111.667 0.002 1 574 48 PHE C C 176.740 0.000 1 575 48 PHE CA C 61.087 0.000 1 576 48 PHE CB C 39.243 0.004 1 577 48 PHE CD1 C 131.935 0.000 3 578 48 PHE CD2 C 131.935 0.000 3 579 48 PHE CE1 C 131.001 0.000 3 580 48 PHE CE2 C 131.001 0.000 3 581 48 PHE CZ C 129.086 0.000 1 582 48 PHE H H 8.389 0.001 1 583 48 PHE HA H 4.400 0.000 1 584 48 PHE HB2 H 3.109 0.000 1 585 48 PHE HB3 H 3.326 0.000 1 586 48 PHE HD1 H 7.321 0.000 3 587 48 PHE HD2 H 7.321 0.000 3 588 48 PHE HE1 H 7.337 0.000 3 589 48 PHE HE2 H 7.337 0.000 3 590 48 PHE HZ H 7.183 0.000 1 591 48 PHE N N 120.940 0.019 1 592 49 GLU C C 178.327 0.000 1 593 49 GLU CA C 61.398 0.000 1 594 49 GLU CB C 28.909 0.000 1 595 49 GLU CG C 37.563 0.007 1 596 49 GLU H H 8.969 0.000 1 597 49 GLU HA H 3.652 0.000 1 598 49 GLU HB2 H 1.958 0.000 1 599 49 GLU HB3 H 1.958 0.000 1 600 49 GLU HG2 H 2.603 0.000 1 601 49 GLU HG3 H 2.384 0.000 1 602 49 GLU N N 119.424 0.023 1 603 50 GLU C C 179.056 0.000 1 604 50 GLU CA C 59.715 0.000 1 605 50 GLU CB C 29.992 0.000 1 606 50 GLU CG C 36.829 0.007 1 607 50 GLU H H 8.265 0.003 1 608 50 GLU HA H 4.019 0.000 1 609 50 GLU HB2 H 2.161 0.000 1 610 50 GLU HB3 H 2.264 0.000 1 611 50 GLU HG2 H 2.344 0.000 1 612 50 GLU HG3 H 2.504 0.000 1 613 50 GLU N N 117.969 0.023 1 614 51 GLN C C 179.948 0.000 1 615 51 GLN CA C 59.487 0.000 1 616 51 GLN CB C 28.819 0.007 1 617 51 GLN CG C 34.625 0.001 1 618 51 GLN H H 8.215 0.005 1 619 51 GLN HA H 4.101 0.000 1 620 51 GLN HB2 H 2.320 0.000 1 621 51 GLN HB3 H 2.143 0.000 1 622 51 GLN HE21 H 7.301 0.000 1 623 51 GLN HE22 H 6.843 0.000 1 624 51 GLN HG2 H 2.603 0.000 1 625 51 GLN HG3 H 2.431 0.000 1 626 51 GLN N N 118.454 0.015 1 627 51 GLN NE2 N 111.659 0.002 1 628 52 ILE C C 177.179 0.000 1 629 52 ILE CA C 63.830 0.000 1 630 52 ILE CB C 36.724 0.000 1 631 52 ILE CD1 C 12.269 0.000 1 632 52 ILE CG1 C 28.576 0.011 1 633 52 ILE CG2 C 17.881 0.000 1 634 52 ILE H H 8.314 0.001 1 635 52 ILE HA H 3.678 0.000 1 636 52 ILE HB H 1.931 0.000 1 637 52 ILE HD11 H 0.668 0.000 1 638 52 ILE HD12 H 0.668 0.000 1 639 52 ILE HD13 H 0.668 0.000 1 640 52 ILE HG12 H 0.988 0.000 1 641 52 ILE HG13 H 1.295 0.000 1 642 52 ILE HG21 H 0.826 0.000 1 643 52 ILE HG22 H 0.826 0.000 1 644 52 ILE HG23 H 0.826 0.000 1 645 52 ILE N N 120.333 0.030 1 646 53 LEU C C 178.790 0.000 1 647 53 LEU CA C 58.586 0.000 1 648 53 LEU CB C 41.823 0.000 1 649 53 LEU CD1 C 24.597 0.000 1 650 53 LEU CD2 C 25.023 0.000 1 651 53 LEU CG C 27.355 0.000 1 652 53 LEU H H 8.098 0.001 1 653 53 LEU HA H 4.014 0.000 1 654 53 LEU HB2 H 1.768 0.000 1 655 53 LEU HB3 H 1.908 0.000 1 656 53 LEU HD11 H 1.044 0.000 1 657 53 LEU HD12 H 1.044 0.000 1 658 53 LEU HD13 H 1.044 0.000 1 659 53 LEU HD21 H 1.001 0.000 1 660 53 LEU HD22 H 1.001 0.000 1 661 53 LEU HD23 H 1.001 0.000 1 662 53 LEU HG H 1.785 0.000 1 663 53 LEU N N 120.875 0.019 1 664 54 GLU C C 179.768 0.000 1 665 54 GLU CA C 59.479 0.000 1 666 54 GLU CB C 29.303 0.000 1 667 54 GLU CG C 36.181 0.000 1 668 54 GLU H H 8.422 0.000 1 669 54 GLU HA H 4.072 0.000 1 670 54 GLU HB2 H 2.160 0.000 1 671 54 GLU HB3 H 2.160 0.000 1 672 54 GLU HG2 H 2.453 0.000 1 673 54 GLU HG3 H 2.453 0.000 1 674 54 GLU N N 117.645 0.016 1 675 55 ALA C C 180.355 0.000 1 676 55 ALA CA C 55.067 0.000 1 677 55 ALA CB C 18.052 0.000 1 678 55 ALA H H 8.133 0.001 1 679 55 ALA HA H 4.359 0.000 1 680 55 ALA HB1 H 1.606 0.000 1 681 55 ALA HB2 H 1.606 0.000 1 682 55 ALA HB3 H 1.606 0.000 1 683 55 ALA N N 121.835 0.019 1 684 56 ALA C C 179.081 0.000 1 685 56 ALA CA C 55.375 0.000 1 686 56 ALA CB C 18.025 0.000 1 687 56 ALA H H 8.884 0.003 1 688 56 ALA HA H 4.046 0.000 1 689 56 ALA HB1 H 1.474 0.000 1 690 56 ALA HB2 H 1.474 0.000 1 691 56 ALA HB3 H 1.474 0.000 1 692 56 ALA N N 121.856 0.065 1 693 57 LYS C C 180.038 0.000 1 694 57 LYS CA C 60.760 0.000 1 695 57 LYS CB C 32.232 0.000 1 696 57 LYS CD C 29.980 0.000 1 697 57 LYS CE C 42.084 0.000 1 698 57 LYS CG C 26.589 0.000 1 699 57 LYS H H 8.553 0.002 1 700 57 LYS HA H 3.898 0.000 1 701 57 LYS HB2 H 2.033 0.000 1 702 57 LYS HB3 H 2.033 0.000 1 703 57 LYS HD2 H 1.754 0.000 1 704 57 LYS HD3 H 1.754 0.000 1 705 57 LYS HE2 H 2.876 0.000 1 706 57 LYS HE3 H 2.876 0.000 1 707 57 LYS HG2 H 1.550 0.000 1 708 57 LYS HG3 H 1.550 0.000 1 709 57 LYS N N 117.953 0.015 1 710 58 SER C C 180.061 0.000 1 711 58 SER CA C 62.186 0.000 1 712 58 SER CB C 62.975 0.004 1 713 58 SER H H 8.204 0.001 1 714 58 SER HA H 4.412 0.000 1 715 58 SER HB2 H 4.250 0.000 1 716 58 SER HB3 H 4.091 0.000 1 717 58 SER N N 116.115 0.020 1 718 59 ILE C C 177.505 0.000 1 719 59 ILE CA C 66.090 0.000 1 720 59 ILE CB C 37.970 0.000 1 721 59 ILE CD1 C 15.638 0.000 1 722 59 ILE CG1 C 30.987 0.000 1 723 59 ILE CG2 C 18.813 0.000 1 724 59 ILE H H 8.485 0.001 1 725 59 ILE HA H 3.701 0.000 1 726 59 ILE HB H 2.116 0.000 1 727 59 ILE HD11 H 0.969 0.000 1 728 59 ILE HD12 H 0.969 0.000 1 729 59 ILE HD13 H 0.969 0.000 1 730 59 ILE HG12 H 0.971 0.000 1 731 59 ILE HG13 H 2.066 0.000 1 732 59 ILE HG21 H 1.037 0.000 1 733 59 ILE HG22 H 1.037 0.000 1 734 59 ILE HG23 H 1.037 0.000 1 735 59 ILE N N 123.138 0.028 1 736 60 ALA C C 178.923 0.000 1 737 60 ALA CA C 55.156 0.000 1 738 60 ALA CB C 17.403 0.000 1 739 60 ALA H H 8.357 0.001 1 740 60 ALA HA H 4.132 0.000 1 741 60 ALA HB1 H 1.390 0.000 1 742 60 ALA HB2 H 1.390 0.000 1 743 60 ALA HB3 H 1.390 0.000 1 744 60 ALA N N 123.334 0.011 1 745 61 ALA C C 180.770 0.000 1 746 61 ALA CA C 55.065 0.000 1 747 61 ALA CB C 17.949 0.000 1 748 61 ALA H H 8.154 0.001 1 749 61 ALA HA H 4.204 0.000 1 750 61 ALA HB1 H 1.602 0.000 1 751 61 ALA HB2 H 1.602 0.000 1 752 61 ALA HB3 H 1.602 0.000 1 753 61 ALA N N 119.692 0.004 1 754 62 ALA C C 180.469 0.000 1 755 62 ALA CA C 54.938 0.000 1 756 62 ALA CB C 18.329 0.000 1 757 62 ALA H H 8.098 0.001 1 758 62 ALA HA H 4.400 0.000 1 759 62 ALA HB1 H 1.604 0.000 1 760 62 ALA HB2 H 1.604 0.000 1 761 62 ALA HB3 H 1.604 0.000 1 762 62 ALA N N 121.273 0.017 1 763 63 THR C C 177.552 0.000 1 764 63 THR CA C 65.960 0.000 1 765 63 THR CB C 68.420 0.000 1 766 63 THR CG2 C 24.096 0.000 1 767 63 THR H H 9.273 0.004 1 768 63 THR HA H 4.009 0.000 1 769 63 THR HB H 4.131 0.000 1 770 63 THR HG21 H 1.285 0.000 1 771 63 THR HG22 H 1.285 0.000 1 772 63 THR HG23 H 1.285 0.000 1 773 63 THR N N 113.232 0.015 1 774 64 SER C C 176.596 0.000 1 775 64 SER CA C 62.410 0.000 1 776 64 SER CB C 62.679 0.000 1 777 64 SER H H 8.154 0.000 1 778 64 SER HA H 4.173 0.000 1 779 64 SER HB2 H 4.137 0.000 1 780 64 SER HB3 H 4.137 0.000 1 781 64 SER N N 117.991 0.000 1 782 65 ALA C C 180.775 0.000 1 783 65 ALA CA C 55.221 0.000 1 784 65 ALA CB C 17.683 0.000 1 785 65 ALA H H 7.647 0.000 1 786 65 ALA HA H 4.148 0.000 1 787 65 ALA HB1 H 1.641 0.000 1 788 65 ALA HB2 H 1.641 0.000 1 789 65 ALA HB3 H 1.641 0.000 1 790 65 ALA N N 121.344 0.009 1 791 66 LEU C C 177.867 0.000 1 792 66 LEU CA C 58.608 0.000 1 793 66 LEU CB C 42.587 0.000 1 794 66 LEU CD1 C 25.227 0.000 1 795 66 LEU CD2 C 28.922 0.000 1 796 66 LEU CG C 26.708 0.000 1 797 66 LEU H H 8.395 0.001 1 798 66 LEU HA H 3.992 0.000 1 799 66 LEU HB2 H 2.371 0.000 1 800 66 LEU HB3 H 1.660 0.000 1 801 66 LEU HD11 H 1.015 0.000 1 802 66 LEU HD12 H 1.015 0.000 1 803 66 LEU HD13 H 1.015 0.000 1 804 66 LEU HD21 H 1.142 0.000 1 805 66 LEU HD22 H 1.142 0.000 1 806 66 LEU HD23 H 1.142 0.000 1 807 66 LEU HG H 1.636 0.000 1 808 66 LEU N N 120.493 0.023 1 809 67 VAL C C 178.481 0.000 1 810 67 VAL CA C 67.426 0.000 1 811 67 VAL CB C 31.441 0.000 1 812 67 VAL CG1 C 23.133 0.000 1 813 67 VAL CG2 C 23.439 0.000 1 814 67 VAL H H 8.301 0.001 1 815 67 VAL HA H 3.651 0.000 1 816 67 VAL HB H 2.219 0.000 1 817 67 VAL HG11 H 1.106 0.000 1 818 67 VAL HG12 H 1.106 0.000 1 819 67 VAL HG13 H 1.106 0.000 1 820 67 VAL HG21 H 1.100 0.000 1 821 67 VAL HG22 H 1.100 0.000 1 822 67 VAL HG23 H 1.100 0.000 1 823 67 VAL N N 117.866 0.020 1 824 68 LYS C C 180.053 0.000 1 825 68 LYS CA C 60.686 0.000 1 826 68 LYS CB C 32.281 0.000 1 827 68 LYS CD C 29.560 0.000 1 828 68 LYS CE C 42.180 0.000 1 829 68 LYS CG C 26.458 0.003 1 830 68 LYS H H 8.371 0.001 1 831 68 LYS HA H 4.069 0.000 1 832 68 LYS HB2 H 1.959 0.000 1 833 68 LYS HB3 H 1.959 0.000 1 834 68 LYS HD2 H 1.745 0.000 1 835 68 LYS HD3 H 1.745 0.000 1 836 68 LYS HE2 H 2.970 0.000 1 837 68 LYS HE3 H 2.970 0.000 1 838 68 LYS HG2 H 1.751 0.000 1 839 68 LYS HG3 H 1.412 0.000 1 840 68 LYS N N 120.379 0.001 1 841 69 ALA C C 180.265 0.000 1 842 69 ALA CA C 55.109 0.000 1 843 69 ALA CB C 17.308 0.000 1 844 69 ALA H H 8.464 0.001 1 845 69 ALA HA H 4.342 0.000 1 846 69 ALA HB1 H 1.617 0.000 1 847 69 ALA HB2 H 1.617 0.000 1 848 69 ALA HB3 H 1.617 0.000 1 849 69 ALA N N 123.696 0.024 1 850 70 ALA C C 178.860 0.000 1 851 70 ALA CA C 55.053 0.000 1 852 70 ALA CB C 17.975 0.000 1 853 70 ALA H H 8.700 0.002 1 854 70 ALA HA H 4.248 0.000 1 855 70 ALA HB1 H 1.591 0.000 1 856 70 ALA HB2 H 1.591 0.000 1 857 70 ALA HB3 H 1.591 0.000 1 858 70 ALA N N 123.461 0.030 1 859 71 SER C C 178.880 0.000 1 860 71 SER CA C 61.818 0.000 1 861 71 SER CB C 62.797 0.012 1 862 71 SER H H 8.256 0.001 1 863 71 SER HA H 4.267 0.000 1 864 71 SER HB2 H 4.097 0.000 1 865 71 SER HB3 H 4.154 0.000 1 866 71 SER N N 113.775 0.022 1 867 72 ALA C C 180.226 0.000 1 868 72 ALA CA C 55.050 0.000 1 869 72 ALA CB C 17.998 0.000 1 870 72 ALA H H 7.895 0.000 1 871 72 ALA HA H 4.269 0.000 1 872 72 ALA HB1 H 1.651 0.000 1 873 72 ALA HB2 H 1.651 0.000 1 874 72 ALA HB3 H 1.651 0.000 1 875 72 ALA N N 123.566 0.015 1 876 73 ALA C C 179.339 0.000 1 877 73 ALA CA C 55.002 0.000 1 878 73 ALA CB C 17.780 0.000 1 879 73 ALA H H 8.384 0.004 1 880 73 ALA HA H 4.145 0.000 1 881 73 ALA HB1 H 1.568 0.000 1 882 73 ALA HB2 H 1.568 0.000 1 883 73 ALA HB3 H 1.568 0.000 1 884 73 ALA N N 121.475 0.029 1 885 74 GLN C C 177.450 0.000 1 886 74 GLN CA C 60.225 0.000 1 887 74 GLN CB C 27.176 0.000 1 888 74 GLN CG C 33.827 0.000 1 889 74 GLN H H 8.448 0.002 1 890 74 GLN HA H 4.179 0.000 1 891 74 GLN HB2 H 2.495 0.000 1 892 74 GLN HB3 H 2.129 0.000 1 893 74 GLN HE21 H 7.263 0.000 1 894 74 GLN HE22 H 6.405 0.000 1 895 74 GLN HG2 H 2.458 0.000 1 896 74 GLN HG3 H 2.458 0.000 1 897 74 GLN N N 118.377 0.035 1 898 74 GLN NE2 N 106.335 0.000 1 899 75 ARG C C 179.220 0.000 1 900 75 ARG CA C 59.310 0.000 1 901 75 ARG CB C 30.081 0.003 1 902 75 ARG CD C 43.590 0.000 1 903 75 ARG CG C 27.720 0.003 1 904 75 ARG H H 8.090 0.002 1 905 75 ARG HA H 4.064 0.000 1 906 75 ARG HB2 H 2.020 0.000 1 907 75 ARG HB3 H 2.071 0.000 1 908 75 ARG HD2 H 3.321 0.000 1 909 75 ARG HD3 H 3.321 0.000 1 910 75 ARG HG2 H 1.971 0.000 1 911 75 ARG HG3 H 1.797 0.000 1 912 75 ARG N N 117.867 0.019 1 913 76 GLU C C 178.378 0.000 1 914 76 GLU CA C 59.289 0.000 1 915 76 GLU CB C 29.901 0.000 1 916 76 GLU CG C 36.807 0.003 1 917 76 GLU H H 7.992 0.001 1 918 76 GLU HA H 4.245 0.000 1 919 76 GLU HB2 H 2.240 0.000 1 920 76 GLU HB3 H 2.240 0.000 1 921 76 GLU HG2 H 2.485 0.000 1 922 76 GLU HG3 H 2.329 0.000 1 923 76 GLU N N 119.964 0.031 1 924 77 LEU C C 179.841 0.000 1 925 77 LEU CA C 57.894 0.000 1 926 77 LEU CB C 42.167 0.000 1 927 77 LEU CD1 C 23.724 0.000 1 928 77 LEU CD2 C 26.195 0.000 1 929 77 LEU CG C 27.059 0.000 1 930 77 LEU H H 8.043 0.001 1 931 77 LEU HA H 4.135 0.000 1 932 77 LEU HB2 H 1.346 0.000 1 933 77 LEU HB3 H 1.346 0.000 1 934 77 LEU HD11 H 0.833 0.000 1 935 77 LEU HD12 H 0.833 0.000 1 936 77 LEU HD13 H 0.833 0.000 1 937 77 LEU HD21 H 0.822 0.000 1 938 77 LEU HD22 H 0.822 0.000 1 939 77 LEU HD23 H 0.822 0.000 1 940 77 LEU HG H 1.959 0.000 1 941 77 LEU N N 119.265 0.018 1 942 78 VAL C C 179.580 0.000 1 943 78 VAL CA C 65.531 0.000 1 944 78 VAL CB C 32.172 0.000 1 945 78 VAL CG1 C 22.639 0.000 1 946 78 VAL CG2 C 21.376 0.000 1 947 78 VAL H H 8.123 0.002 1 948 78 VAL HA H 4.027 0.000 1 949 78 VAL HB H 2.265 0.000 1 950 78 VAL HG11 H 1.153 0.000 1 951 78 VAL HG12 H 1.153 0.000 1 952 78 VAL HG13 H 1.153 0.000 1 953 78 VAL HG21 H 1.079 0.000 1 954 78 VAL HG22 H 1.079 0.000 1 955 78 VAL HG23 H 1.079 0.000 1 956 78 VAL N N 119.466 0.047 1 957 79 ALA C C 179.816 0.000 1 958 79 ALA CA C 55.014 0.000 1 959 79 ALA CB C 18.280 0.000 1 960 79 ALA H H 8.347 0.005 1 961 79 ALA HA H 4.267 0.000 1 962 79 ALA HB1 H 1.644 0.000 1 963 79 ALA HB2 H 1.644 0.000 1 964 79 ALA HB3 H 1.644 0.000 1 965 79 ALA N N 124.456 0.028 1 966 80 GLN C C 177.150 0.000 1 967 80 GLN CA C 56.627 0.000 1 968 80 GLN CB C 29.397 0.000 1 969 80 GLN CG C 34.282 0.002 1 970 80 GLN H H 8.112 0.000 1 971 80 GLN HA H 4.379 0.000 1 972 80 GLN HB2 H 2.162 0.000 1 973 80 GLN HB3 H 2.329 0.000 1 974 80 GLN HE21 H 6.842 0.000 1 975 80 GLN HE22 H 7.441 0.000 1 976 80 GLN HG2 H 2.726 0.000 1 977 80 GLN HG3 H 2.550 0.000 1 978 80 GLN N N 114.864 0.001 1 979 80 GLN NE2 N 110.397 0.000 1 980 81 GLY C C 175.184 0.000 1 981 81 GLY CA C 46.165 0.000 1 982 81 GLY H H 8.159 0.001 1 983 81 GLY HA2 H 4.022 0.000 1 984 81 GLY HA3 H 4.109 0.000 1 985 81 GLY N N 108.032 0.016 1 986 82 LYS C C 176.669 0.000 1 987 82 LYS CA C 57.095 0.000 1 988 82 LYS CB C 32.975 0.000 1 989 82 LYS CD C 29.152 0.000 1 990 82 LYS CE C 42.311 0.000 1 991 82 LYS CG C 24.747 0.000 1 992 82 LYS H H 8.230 0.002 1 993 82 LYS HA H 4.323 0.000 1 994 82 LYS HB2 H 1.909 0.000 1 995 82 LYS HB3 H 1.909 0.000 1 996 82 LYS HD2 H 1.780 0.000 1 997 82 LYS HD3 H 1.780 0.000 1 998 82 LYS HE2 H 3.086 0.000 1 999 82 LYS HE3 H 3.086 0.000 1 1000 82 LYS HG2 H 1.541 0.000 1 1001 82 LYS HG3 H 1.541 0.000 1 1002 82 LYS N N 119.057 0.010 1 1003 83 VAL C C 176.037 0.000 1 1004 83 VAL CA C 61.567 0.000 1 1005 83 VAL CB C 34.303 0.000 1 1006 83 VAL CG1 C 21.425 0.000 1 1007 83 VAL CG2 C 20.979 0.000 1 1008 83 VAL H H 7.440 0.004 1 1009 83 VAL HA H 4.282 0.000 1 1010 83 VAL HB H 1.933 0.000 1 1011 83 VAL HG11 H 0.886 0.000 1 1012 83 VAL HG12 H 0.886 0.000 1 1013 83 VAL HG13 H 0.886 0.000 1 1014 83 VAL HG21 H 0.816 0.000 1 1015 83 VAL HG22 H 0.816 0.000 1 1016 83 VAL HG23 H 0.816 0.000 1 1017 83 VAL N N 115.853 0.006 1 1018 84 GLY C C 173.772 0.000 1 1019 84 GLY CA C 45.808 0.011 1 1020 84 GLY H H 8.723 0.006 1 1021 84 GLY HA2 H 4.106 0.000 1 1022 84 GLY HA3 H 3.959 0.000 1 1023 84 GLY N N 111.791 0.023 1 1024 85 ALA C C 177.402 0.000 1 1025 85 ALA CA C 52.715 0.000 1 1026 85 ALA CB C 20.283 0.000 1 1027 85 ALA H H 8.311 0.006 1 1028 85 ALA HA H 4.529 0.000 1 1029 85 ALA HB1 H 1.472 0.000 1 1030 85 ALA HB2 H 1.472 0.000 1 1031 85 ALA HB3 H 1.472 0.000 1 1032 85 ALA N N 122.533 0.032 1 1033 86 ILE C C 175.557 0.000 1 1034 86 ILE CA C 58.338 0.000 1 1035 86 ILE CB C 39.335 0.000 1 1036 86 ILE CD1 C 12.756 0.000 1 1037 86 ILE CG1 C 26.968 0.000 1 1038 86 ILE CG2 C 17.518 0.000 1 1039 86 ILE H H 7.935 0.001 1 1040 86 ILE HA H 4.626 0.000 1 1041 86 ILE HB H 1.965 0.000 1 1042 86 ILE HD11 H 0.940 0.000 1 1043 86 ILE HD12 H 0.940 0.000 1 1044 86 ILE HD13 H 0.940 0.000 1 1045 86 ILE HG12 H 1.212 0.000 1 1046 86 ILE HG13 H 1.586 0.000 1 1047 86 ILE HG21 H 0.999 0.000 1 1048 86 ILE HG22 H 0.999 0.000 1 1049 86 ILE HG23 H 0.999 0.000 1 1050 86 ILE N N 119.563 0.032 1 1051 87 PRO C C 178.077 0.000 1 1052 87 PRO CA C 64.873 0.000 1 1053 87 PRO CB C 32.162 0.000 1 1054 87 PRO CD C 51.242 0.001 1 1055 87 PRO CG C 27.496 0.000 1 1056 87 PRO HA H 4.402 0.000 1 1057 87 PRO HB2 H 2.065 0.000 1 1058 87 PRO HB3 H 2.452 0.000 1 1059 87 PRO HD2 H 4.036 0.000 1 1060 87 PRO HD3 H 4.116 0.000 1 1061 87 PRO HG2 H 2.188 0.000 1 1062 87 PRO HG3 H 2.073 0.000 1 1063 88 ALA C C 178.107 0.000 1 1064 88 ALA CA C 53.988 0.000 1 1065 88 ALA CB C 18.826 0.000 1 1066 88 ALA H H 8.339 0.003 1 1067 88 ALA HA H 4.306 0.000 1 1068 88 ALA HB1 H 1.490 0.000 1 1069 88 ALA HB2 H 1.490 0.000 1 1070 88 ALA HB3 H 1.490 0.000 1 1071 88 ALA N N 120.828 0.011 1 1072 89 ASN C C 175.279 0.000 1 1073 89 ASN CA C 52.788 0.000 1 1074 89 ASN CB C 38.715 0.004 1 1075 89 ASN H H 8.112 0.001 1 1076 89 ASN HA H 4.980 0.000 1 1077 89 ASN HB2 H 2.827 0.000 1 1078 89 ASN HB3 H 3.163 0.000 1 1079 89 ASN HD21 H 7.707 0.000 1 1080 89 ASN HD22 H 6.929 0.000 1 1081 89 ASN N N 115.600 0.024 1 1082 89 ASN ND2 N 111.281 0.000 1 1083 90 ALA C C 179.352 0.000 1 1084 90 ALA CA C 54.993 0.000 1 1085 90 ALA CB C 19.244 0.000 1 1086 90 ALA H H 7.942 0.002 1 1087 90 ALA HA H 4.316 0.000 1 1088 90 ALA HB1 H 1.570 0.000 1 1089 90 ALA HB2 H 1.570 0.000 1 1090 90 ALA HB3 H 1.570 0.000 1 1091 90 ALA N N 123.421 0.026 1 1092 91 LEU C C 178.549 0.000 1 1093 91 LEU CA C 56.982 0.000 1 1094 91 LEU CB C 41.756 0.004 1 1095 91 LEU CD1 C 24.891 0.000 1 1096 91 LEU CD2 C 24.003 0.000 1 1097 91 LEU CG C 27.248 0.000 1 1098 91 LEU H H 8.337 0.009 1 1099 91 LEU HA H 4.372 0.000 1 1100 91 LEU HB2 H 1.748 0.000 1 1101 91 LEU HB3 H 1.802 0.000 1 1102 91 LEU HD11 H 1.018 0.000 1 1103 91 LEU HD12 H 1.018 0.000 1 1104 91 LEU HD13 H 1.018 0.000 1 1105 91 LEU HD21 H 0.957 0.000 1 1106 91 LEU HD22 H 0.957 0.000 1 1107 91 LEU HD23 H 0.957 0.000 1 1108 91 LEU HG H 1.743 0.000 1 1109 91 LEU N N 119.697 0.029 1 1110 92 ASP C C 177.995 0.000 1 1111 92 ASP CA C 56.165 0.000 1 1112 92 ASP CB C 41.323 0.000 1 1113 92 ASP H H 8.146 0.003 1 1114 92 ASP HA H 4.630 0.000 1 1115 92 ASP HB2 H 2.810 0.000 1 1116 92 ASP HB3 H 2.810 0.000 1 1117 92 ASP N N 121.181 0.019 1 1118 93 ASP C C 178.889 0.000 1 1119 93 ASP CA C 56.783 0.000 1 1120 93 ASP CB C 40.709 0.002 1 1121 93 ASP H H 8.817 0.007 1 1122 93 ASP HA H 4.700 0.000 1 1123 93 ASP HB2 H 2.792 0.000 1 1124 93 ASP HB3 H 2.924 0.000 1 1125 93 ASP N N 121.662 0.028 1 1126 94 GLY C C 176.024 0.000 1 1127 94 GLY CA C 47.127 0.001 1 1128 94 GLY H H 8.677 0.000 1 1129 94 GLY HA2 H 4.038 0.000 1 1130 94 GLY HA3 H 4.203 0.000 1 1131 94 GLY N N 110.300 0.029 1 1132 95 GLN C C 179.026 0.000 1 1133 95 GLN CA C 58.755 0.000 1 1134 95 GLN CB C 28.644 0.000 1 1135 95 GLN CG C 34.292 0.001 1 1136 95 GLN H H 8.385 0.001 1 1137 95 GLN HA H 4.249 0.000 1 1138 95 GLN HB2 H 2.326 0.000 1 1139 95 GLN HB3 H 2.326 0.000 1 1140 95 GLN HE21 H 7.576 0.000 1 1141 95 GLN HE22 H 6.883 0.000 1 1142 95 GLN HG2 H 2.632 0.000 1 1143 95 GLN HG3 H 2.514 0.000 1 1144 95 GLN N N 121.740 0.034 1 1145 95 GLN NE2 N 111.692 0.010 1 1146 96 TRP C C 178.752 0.000 1 1147 96 TRP CA C 61.448 0.000 1 1148 96 TRP CB C 27.935 0.004 1 1149 96 TRP CD1 C 127.244 0.000 1 1150 96 TRP CE3 C 120.621 0.000 1 1151 96 TRP CH2 C 124.036 0.000 1 1152 96 TRP CZ2 C 113.929 0.000 1 1153 96 TRP CZ3 C 121.560 0.000 1 1154 96 TRP H H 8.674 0.002 1 1155 96 TRP HA H 4.441 0.000 1 1156 96 TRP HB2 H 3.516 0.000 1 1157 96 TRP HB3 H 3.615 0.000 1 1158 96 TRP HD1 H 7.467 0.000 1 1159 96 TRP HE1 H 10.364 0.000 1 1160 96 TRP HE3 H 7.723 0.000 1 1161 96 TRP HH2 H 7.067 0.000 1 1162 96 TRP HZ2 H 7.468 0.000 1 1163 96 TRP HZ3 H 7.141 0.000 1 1164 96 TRP N N 122.549 0.000 1 1165 96 TRP NE1 N 129.738 0.000 1 1166 97 SER C C 175.955 0.000 1 1167 97 SER CA C 62.808 0.000 1 1168 97 SER CB C 62.288 0.000 1 1169 97 SER H H 8.525 0.000 1 1170 97 SER HA H 3.803 0.000 1 1171 97 SER HB2 H 3.606 0.000 1 1172 97 SER HB3 H 3.606 0.000 1 1173 97 SER N N 115.972 0.000 1 1174 98 GLN C C 178.936 0.000 1 1175 98 GLN CA C 58.993 0.000 1 1176 98 GLN CB C 28.228 0.000 1 1177 98 GLN CG C 34.179 0.000 1 1178 98 GLN H H 8.246 0.004 1 1179 98 GLN HA H 4.036 0.000 1 1180 98 GLN HB2 H 2.223 0.000 1 1181 98 GLN HB3 H 2.223 0.000 1 1182 98 GLN HE21 H 6.778 0.000 1 1183 98 GLN HE22 H 7.416 0.000 1 1184 98 GLN HG2 H 2.499 0.000 1 1185 98 GLN HG3 H 2.499 0.000 1 1186 98 GLN N N 120.192 0.019 1 1187 98 GLN NE2 N 110.524 0.001 1 1188 99 GLY C C 176.470 0.000 1 1189 99 GLY CA C 46.965 0.000 1 1190 99 GLY H H 8.135 0.001 1 1191 99 GLY HA2 H 3.934 0.000 1 1192 99 GLY HA3 H 4.038 0.000 1 1193 99 GLY N N 108.331 0.028 1 1194 100 LEU C C 178.021 0.000 1 1195 100 LEU CA C 58.329 0.000 1 1196 100 LEU CB C 42.034 0.000 1 1197 100 LEU CD1 C 24.782 0.000 1 1198 100 LEU CD2 C 25.338 0.000 1 1199 100 LEU CG C 27.094 0.000 1 1200 100 LEU H H 7.626 0.002 1 1201 100 LEU HA H 3.826 0.000 1 1202 100 LEU HB2 H 1.129 0.000 1 1203 100 LEU HB3 H 1.493 0.000 1 1204 100 LEU HD11 H 0.582 0.000 1 1205 100 LEU HD12 H 0.582 0.000 1 1206 100 LEU HD13 H 0.582 0.000 1 1207 100 LEU HD21 H 0.652 0.000 1 1208 100 LEU HD22 H 0.652 0.000 1 1209 100 LEU HD23 H 0.652 0.000 1 1210 100 LEU HG H 1.332 0.000 1 1211 100 LEU N N 124.213 0.030 1 1212 101 ILE C C 178.082 0.000 1 1213 101 ILE CA C 65.947 0.000 1 1214 101 ILE CB C 38.357 0.000 1 1215 101 ILE CD1 C 14.013 0.000 1 1216 101 ILE CG1 C 29.341 0.000 1 1217 101 ILE CG2 C 17.018 0.000 1 1218 101 ILE H H 8.112 0.000 1 1219 101 ILE HA H 3.428 0.000 1 1220 101 ILE HB H 1.901 0.000 1 1221 101 ILE HD11 H 0.850 0.000 1 1222 101 ILE HD12 H 0.850 0.000 1 1223 101 ILE HD13 H 0.850 0.000 1 1224 101 ILE HG12 H 0.898 0.000 1 1225 101 ILE HG13 H 0.857 0.000 1 1226 101 ILE HG21 H 0.877 0.000 1 1227 101 ILE HG22 H 0.877 0.000 1 1228 101 ILE HG23 H 0.877 0.000 1 1229 101 ILE N N 118.615 0.046 1 1230 102 SER C C 177.210 0.000 1 1231 102 SER CA C 61.956 0.000 1 1232 102 SER CB C 62.781 0.000 1 1233 102 SER H H 8.378 0.000 1 1234 102 SER HA H 4.149 0.000 1 1235 102 SER HB2 H 4.025 0.000 1 1236 102 SER HB3 H 4.025 0.000 1 1237 102 SER N N 113.963 0.000 1 1238 103 ALA C C 179.663 0.000 1 1239 103 ALA CA C 55.050 0.000 1 1240 103 ALA CB C 17.837 0.000 1 1241 103 ALA H H 7.960 0.002 1 1242 103 ALA HA H 4.269 0.000 1 1243 103 ALA HB1 H 1.486 0.000 1 1244 103 ALA HB2 H 1.486 0.000 1 1245 103 ALA HB3 H 1.486 0.000 1 1246 103 ALA N N 122.458 0.017 1 1247 104 ALA C C 179.420 0.000 1 1248 104 ALA CA C 55.849 0.000 1 1249 104 ALA CB C 18.229 0.000 1 1250 104 ALA H H 8.664 0.000 1 1251 104 ALA HA H 3.914 0.000 1 1252 104 ALA HB1 H 1.476 0.000 1 1253 104 ALA HB2 H 1.476 0.000 1 1254 104 ALA HB3 H 1.476 0.000 1 1255 104 ALA N N 121.342 0.023 1 1256 105 ARG C C 180.120 0.000 1 1257 105 ARG CA C 60.004 0.000 1 1258 105 ARG CB C 30.149 0.000 1 1259 105 ARG CD C 44.032 0.002 1 1260 105 ARG CG C 27.969 0.000 1 1261 105 ARG H H 8.509 0.003 1 1262 105 ARG HA H 4.068 0.000 1 1263 105 ARG HB2 H 2.055 0.000 1 1264 105 ARG HB3 H 2.055 0.000 1 1265 105 ARG HD2 H 3.202 0.000 1 1266 105 ARG HD3 H 3.160 0.000 1 1267 105 ARG HG2 H 1.719 0.000 1 1268 105 ARG HG3 H 1.719 0.000 1 1269 105 ARG N N 116.842 0.023 1 1270 106 MET C C 179.240 0.000 1 1271 106 MET CA C 58.760 0.000 1 1272 106 MET CB C 32.234 0.006 1 1273 106 MET CE C 17.144 0.000 1 1274 106 MET CG C 32.527 0.001 1 1275 106 MET H H 8.106 0.001 1 1276 106 MET HA H 4.440 0.000 1 1277 106 MET HB2 H 2.451 0.000 1 1278 106 MET HB3 H 2.293 0.000 1 1279 106 MET HE1 H 2.156 0.000 1 1280 106 MET HE2 H 2.156 0.000 1 1281 106 MET HE3 H 2.156 0.000 1 1282 106 MET HG2 H 2.755 0.000 1 1283 106 MET HG3 H 2.874 0.000 1 1284 106 MET N N 120.107 0.020 1 1285 107 VAL C C 179.643 0.000 1 1286 107 VAL CA C 66.467 0.000 1 1287 107 VAL CB C 31.579 0.000 1 1288 107 VAL CG1 C 23.162 0.000 1 1289 107 VAL CG2 C 22.195 0.000 1 1290 107 VAL H H 8.430 0.001 1 1291 107 VAL HA H 3.962 0.000 1 1292 107 VAL HB H 2.289 0.000 1 1293 107 VAL HG11 H 1.063 0.000 1 1294 107 VAL HG12 H 1.063 0.000 1 1295 107 VAL HG13 H 1.063 0.000 1 1296 107 VAL HG21 H 0.929 0.000 1 1297 107 VAL HG22 H 0.929 0.000 1 1298 107 VAL HG23 H 0.929 0.000 1 1299 107 VAL N N 121.750 0.028 1 1300 108 ALA C C 179.432 0.000 1 1301 108 ALA CA C 55.834 0.000 1 1302 108 ALA CB C 17.859 0.000 1 1303 108 ALA H H 8.371 0.002 1 1304 108 ALA HA H 4.052 0.000 1 1305 108 ALA HB1 H 1.643 0.000 1 1306 108 ALA HB2 H 1.643 0.000 1 1307 108 ALA HB3 H 1.643 0.000 1 1308 108 ALA N N 125.084 0.023 1 1309 109 ALA C C 180.432 0.000 1 1310 109 ALA CA C 55.067 0.000 1 1311 109 ALA CB C 17.956 0.000 1 1312 109 ALA H H 8.490 0.002 1 1313 109 ALA HA H 4.264 0.000 1 1314 109 ALA HB1 H 1.621 0.000 1 1315 109 ALA HB2 H 1.621 0.000 1 1316 109 ALA HB3 H 1.621 0.000 1 1317 109 ALA N N 122.365 0.022 1 1318 110 ALA C C 180.480 0.000 1 1319 110 ALA CA C 55.031 0.000 1 1320 110 ALA CB C 17.921 0.000 1 1321 110 ALA H H 8.709 0.001 1 1322 110 ALA HA H 4.271 0.000 1 1323 110 ALA HB1 H 1.597 0.000 1 1324 110 ALA HB2 H 1.597 0.000 1 1325 110 ALA HB3 H 1.597 0.000 1 1326 110 ALA N N 120.589 0.019 1 1327 111 THR C C 176.460 0.000 1 1328 111 THR CA C 67.840 0.000 1 1329 111 THR CB C 68.283 0.000 1 1330 111 THR CG2 C 21.780 0.000 1 1331 111 THR H H 8.483 0.001 1 1332 111 THR HA H 3.788 0.000 1 1333 111 THR HB H 4.411 0.000 1 1334 111 THR HG21 H 1.365 0.000 1 1335 111 THR HG22 H 1.365 0.000 1 1336 111 THR HG23 H 1.365 0.000 1 1337 111 THR N N 116.209 0.021 1 1338 112 ASN C C 177.343 0.000 1 1339 112 ASN CA C 58.033 0.000 1 1340 112 ASN CB C 38.878 0.004 1 1341 112 ASN H H 8.468 0.001 1 1342 112 ASN HA H 4.363 0.000 1 1343 112 ASN HB2 H 2.939 0.000 1 1344 112 ASN HB3 H 2.983 0.000 1 1345 112 ASN HD21 H 6.746 0.000 1 1346 112 ASN HD22 H 7.493 0.000 1 1347 112 ASN N N 122.711 0.023 1 1348 112 ASN ND2 N 111.743 0.001 1 1349 113 ASN C C 178.054 0.000 1 1350 113 ASN CA C 56.377 0.000 1 1351 113 ASN CB C 37.831 0.000 1 1352 113 ASN H H 8.311 0.001 1 1353 113 ASN HA H 4.530 0.000 1 1354 113 ASN HB2 H 3.062 0.000 1 1355 113 ASN HB3 H 2.965 0.000 1 1356 113 ASN HD21 H 6.920 0.000 1 1357 113 ASN HD22 H 7.882 0.000 1 1358 113 ASN N N 118.728 0.053 1 1359 113 ASN ND2 N 111.797 0.000 1 1360 114 LEU C C 178.566 0.000 1 1361 114 LEU CA C 58.122 0.000 1 1362 114 LEU CB C 41.601 0.000 1 1363 114 LEU CD1 C 25.853 0.000 1 1364 114 LEU CD2 C 25.168 0.000 1 1365 114 LEU CG C 27.639 0.000 1 1366 114 LEU H H 8.319 0.003 1 1367 114 LEU HA H 4.338 0.000 1 1368 114 LEU HB2 H 1.712 0.000 1 1369 114 LEU HB3 H 2.282 0.000 1 1370 114 LEU HD11 H 1.082 0.000 1 1371 114 LEU HD12 H 1.082 0.000 1 1372 114 LEU HD13 H 1.082 0.000 1 1373 114 LEU HD21 H 1.048 0.000 1 1374 114 LEU HD22 H 1.048 0.000 1 1375 114 LEU HD23 H 1.048 0.000 1 1376 114 LEU HG H 1.797 0.000 1 1377 114 LEU N N 122.641 0.045 1 1378 115 CYS C C 176.983 0.000 1 1379 115 CYS CA C 64.890 0.000 1 1380 115 CYS CB C 26.729 0.004 1 1381 115 CYS H H 8.570 0.003 1 1382 115 CYS HA H 4.060 0.000 1 1383 115 CYS HB2 H 2.997 0.000 1 1384 115 CYS HB3 H 3.202 0.000 1 1385 115 CYS N N 118.691 0.027 1 1386 116 GLU C C 179.522 0.000 1 1387 116 GLU CA C 59.597 0.000 1 1388 116 GLU CB C 29.349 0.000 1 1389 116 GLU CG C 36.240 0.000 1 1390 116 GLU H H 8.329 0.001 1 1391 116 GLU HA H 4.209 0.000 1 1392 116 GLU HB2 H 2.212 0.000 1 1393 116 GLU HB3 H 2.212 0.000 1 1394 116 GLU HG2 H 2.378 0.000 1 1395 116 GLU HG3 H 2.513 0.000 1 1396 116 GLU N N 119.737 0.003 1 1397 117 ALA C C 180.184 0.000 1 1398 117 ALA CA C 54.989 0.000 1 1399 117 ALA CB C 17.630 0.000 1 1400 117 ALA H H 8.269 0.000 1 1401 117 ALA HA H 4.307 0.000 1 1402 117 ALA HB1 H 1.560 0.000 1 1403 117 ALA HB2 H 1.560 0.000 1 1404 117 ALA HB3 H 1.560 0.000 1 1405 117 ALA N N 123.404 0.005 1 1406 118 ALA C C 178.226 0.000 1 1407 118 ALA CA C 55.265 0.000 1 1408 118 ALA CB C 17.852 0.000 1 1409 118 ALA H H 8.892 0.002 1 1410 118 ALA HA H 3.999 0.000 1 1411 118 ALA HB1 H 1.372 0.000 1 1412 118 ALA HB2 H 1.372 0.000 1 1413 118 ALA HB3 H 1.372 0.000 1 1414 118 ALA N N 122.023 0.041 1 1415 119 ASN C C 177.096 0.000 1 1416 119 ASN CA C 56.608 0.000 1 1417 119 ASN CB C 39.295 0.001 1 1418 119 ASN H H 8.199 0.002 1 1419 119 ASN HA H 4.305 0.000 1 1420 119 ASN HB2 H 3.017 0.000 1 1421 119 ASN HB3 H 2.827 0.000 1 1422 119 ASN HD21 H 6.720 0.000 1 1423 119 ASN HD22 H 7.642 0.000 1 1424 119 ASN N N 116.627 0.023 1 1425 119 ASN ND2 N 111.650 0.001 1 1426 120 ALA C C 179.999 0.000 1 1427 120 ALA CA C 55.095 0.000 1 1428 120 ALA CB C 18.024 0.000 1 1429 120 ALA H H 7.921 0.002 1 1430 120 ALA HA H 4.151 0.000 1 1431 120 ALA HB1 H 1.593 0.000 1 1432 120 ALA HB2 H 1.593 0.000 1 1433 120 ALA HB3 H 1.593 0.000 1 1434 120 ALA N N 119.994 0.019 1 1435 121 ALA C C 180.602 0.000 1 1436 121 ALA CA C 55.090 0.000 1 1437 121 ALA CB C 18.161 0.000 1 1438 121 ALA H H 8.103 0.000 1 1439 121 ALA HA H 4.169 0.000 1 1440 121 ALA HB1 H 1.650 0.000 1 1441 121 ALA HB2 H 1.650 0.000 1 1442 121 ALA HB3 H 1.650 0.000 1 1443 121 ALA N N 119.748 0.023 1 1444 122 VAL C C 176.770 0.000 1 1445 122 VAL CA C 65.180 0.000 1 1446 122 VAL CB C 31.523 0.000 1 1447 122 VAL CG1 C 22.031 0.000 1 1448 122 VAL CG2 C 22.745 0.000 1 1449 122 VAL H H 8.169 0.001 1 1450 122 VAL HA H 3.951 0.000 1 1451 122 VAL HB H 2.415 0.000 1 1452 122 VAL HG11 H 1.071 0.000 1 1453 122 VAL HG12 H 1.071 0.000 1 1454 122 VAL HG13 H 1.071 0.000 1 1455 122 VAL HG21 H 1.183 0.000 1 1456 122 VAL HG22 H 1.183 0.000 1 1457 122 VAL HG23 H 1.183 0.000 1 1458 122 VAL N N 116.594 0.028 1 1459 123 GLN C C 176.107 0.000 1 1460 123 GLN CA C 55.965 0.000 1 1461 123 GLN CB C 29.340 0.006 1 1462 123 GLN CG C 34.280 0.011 1 1463 123 GLN H H 7.692 0.000 1 1464 123 GLN HA H 4.440 0.000 1 1465 123 GLN HB2 H 2.423 0.000 1 1466 123 GLN HB3 H 2.060 0.000 1 1467 123 GLN HE21 H 6.786 0.000 1 1468 123 GLN HE22 H 7.332 0.000 1 1469 123 GLN HG2 H 2.632 0.000 1 1470 123 GLN HG3 H 2.443 0.000 1 1471 123 GLN N N 116.643 0.020 1 1472 123 GLN NE2 N 111.066 0.001 1 1473 124 GLY C C 174.357 0.000 1 1474 124 GLY CA C 45.744 0.000 1 1475 124 GLY H H 7.757 0.001 1 1476 124 GLY HA2 H 4.191 0.000 1 1477 124 GLY HA3 H 3.989 0.000 1 1478 124 GLY N N 106.132 0.020 1 1479 125 HIS C C 174.117 0.000 1 1480 125 HIS CA C 53.932 0.000 1 1481 125 HIS CB C 29.346 0.004 1 1482 125 HIS CD2 C 120.064 0.000 1 1483 125 HIS CE1 C 136.933 0.000 1 1484 125 HIS H H 8.351 0.002 1 1485 125 HIS HA H 5.043 0.000 1 1486 125 HIS HB2 H 3.346 0.000 1 1487 125 HIS HB3 H 3.049 0.000 1 1488 125 HIS HD2 H 7.194 0.000 1 1489 125 HIS HE1 H 8.513 0.000 1 1490 125 HIS N N 119.223 0.023 1 1491 126 ALA C C 177.070 0.000 1 1492 126 ALA CA C 52.567 0.000 1 1493 126 ALA CB C 19.981 0.000 1 1494 126 ALA H H 8.486 0.007 1 1495 126 ALA HA H 4.379 0.000 1 1496 126 ALA HB1 H 1.505 0.000 1 1497 126 ALA HB2 H 1.505 0.000 1 1498 126 ALA HB3 H 1.505 0.000 1 1499 126 ALA N N 123.462 0.023 1 1500 127 SER C C 175.354 0.000 1 1501 127 SER CA C 56.509 0.000 1 1502 127 SER CB C 63.972 0.005 1 1503 127 SER H H 8.369 0.004 1 1504 127 SER HA H 4.865 0.000 1 1505 127 SER HB2 H 3.950 0.000 2 1506 127 SER HB3 H 4.098 0.000 2 1507 127 SER N N 115.831 0.020 1 1508 128 GLN C C 177.486 0.000 1 1509 128 GLN CA C 60.381 0.000 1 1510 128 GLN CB C 28.734 0.000 1 1511 128 GLN CG C 34.282 0.000 1 1512 128 GLN H H 9.145 0.002 1 1513 128 GLN HA H 3.977 0.000 1 1514 128 GLN HB2 H 2.110 0.000 1 1515 128 GLN HB3 H 2.164 0.000 1 1516 128 GLN HE21 H 6.946 0.000 1 1517 128 GLN HE22 H 7.269 0.000 1 1518 128 GLN HG2 H 2.431 0.000 1 1519 128 GLN HG3 H 2.431 0.000 1 1520 128 GLN N N 126.959 0.038 1 1521 128 GLN NE2 N 111.620 0.002 1 1522 129 GLU C C 179.312 0.000 1 1523 129 GLU CA C 59.924 0.000 1 1524 129 GLU CB C 29.284 0.006 1 1525 129 GLU CG C 36.235 0.000 1 1526 129 GLU H H 8.778 0.002 1 1527 129 GLU HA H 4.096 0.000 1 1528 129 GLU HB2 H 2.046 0.000 1 1529 129 GLU HB3 H 2.148 0.000 1 1530 129 GLU HG2 H 2.387 0.000 1 1531 129 GLU HG3 H 2.387 0.000 1 1532 129 GLU N N 117.915 0.019 1 1533 130 LYS C C 180.104 0.000 1 1534 130 LYS CA C 58.820 0.000 1 1535 130 LYS CB C 32.562 0.000 1 1536 130 LYS CD C 29.028 0.000 1 1537 130 LYS CE C 42.298 0.000 1 1538 130 LYS CG C 25.652 0.004 1 1539 130 LYS H H 7.949 0.002 1 1540 130 LYS HA H 4.224 0.000 1 1541 130 LYS HB2 H 2.028 0.000 1 1542 130 LYS HB3 H 2.028 0.000 1 1543 130 LYS HD2 H 1.796 0.000 1 1544 130 LYS HD3 H 1.796 0.000 1 1545 130 LYS HE2 H 3.071 0.000 1 1546 130 LYS HE3 H 3.071 0.000 1 1547 130 LYS HG2 H 1.677 0.000 1 1548 130 LYS HG3 H 1.566 0.000 1 1549 130 LYS N N 119.761 0.021 1 1550 131 LEU C C 177.724 0.000 1 1551 131 LEU CA C 58.619 0.000 1 1552 131 LEU CB C 42.532 0.000 1 1553 131 LEU CD1 C 23.817 0.000 1 1554 131 LEU CD2 C 25.659 0.000 1 1555 131 LEU CG C 26.978 0.000 1 1556 131 LEU H H 8.209 0.004 1 1557 131 LEU HA H 3.966 0.000 1 1558 131 LEU HB2 H 1.501 0.000 1 1559 131 LEU HB3 H 2.054 0.000 1 1560 131 LEU HD11 H 0.887 0.000 1 1561 131 LEU HD12 H 0.887 0.000 1 1562 131 LEU HD13 H 0.887 0.000 1 1563 131 LEU HD21 H 1.013 0.000 1 1564 131 LEU HD22 H 1.013 0.000 1 1565 131 LEU HD23 H 1.013 0.000 1 1566 131 LEU HG H 1.894 0.000 1 1567 131 LEU N N 121.600 0.003 1 1568 132 ILE C C 178.170 0.000 1 1569 132 ILE CA C 66.267 0.000 1 1570 132 ILE CB C 38.022 0.000 1 1571 132 ILE CD1 C 13.677 0.000 1 1572 132 ILE CG1 C 30.438 0.000 1 1573 132 ILE CG2 C 17.274 0.000 1 1574 132 ILE H H 8.358 0.005 1 1575 132 ILE HA H 3.627 0.000 1 1576 132 ILE HB H 2.006 0.000 1 1577 132 ILE HD11 H 0.951 0.000 1 1578 132 ILE HD12 H 0.951 0.000 1 1579 132 ILE HD13 H 0.951 0.000 1 1580 132 ILE HG12 H 1.125 0.000 1 1581 132 ILE HG13 H 1.125 0.000 1 1582 132 ILE HG21 H 1.036 0.000 1 1583 132 ILE HG22 H 1.036 0.000 1 1584 132 ILE HG23 H 1.036 0.000 1 1585 132 ILE N N 118.339 0.021 1 1586 133 SER C C 178.178 0.000 1 1587 133 SER CA C 62.062 0.000 1 1588 133 SER CB C 62.785 0.000 1 1589 133 SER H H 8.584 0.003 1 1590 133 SER HA H 4.229 0.000 1 1591 133 SER HB2 H 4.097 0.000 1 1592 133 SER HB3 H 4.097 0.000 1 1593 133 SER N N 114.313 0.029 1 1594 134 SER C C 176.659 0.000 1 1595 134 SER H H 8.167 0.001 1 1596 134 SER N N 117.640 0.053 1 1597 135 ALA C C 180.349 0.000 1 1598 135 ALA CA C 55.860 0.000 1 1599 135 ALA CB C 18.448 0.000 1 1600 135 ALA H H 8.246 0.001 1 1601 135 ALA HA H 4.044 0.000 1 1602 135 ALA HB1 H 1.666 0.000 1 1603 135 ALA HB2 H 1.666 0.000 1 1604 135 ALA HB3 H 1.666 0.000 1 1605 135 ALA N N 126.668 0.030 1 1606 136 LYS C C 179.949 0.000 1 1607 136 LYS CA C 60.028 0.000 1 1608 136 LYS CB C 32.211 0.000 1 1609 136 LYS CD C 29.560 0.000 1 1610 136 LYS CE C 42.180 0.000 1 1611 136 LYS CG C 26.070 0.005 1 1612 136 LYS H H 8.486 0.001 1 1613 136 LYS HA H 4.100 0.000 1 1614 136 LYS HB2 H 1.999 0.000 1 1615 136 LYS HB3 H 2.099 0.000 1 1616 136 LYS HD2 H 1.745 0.000 1 1617 136 LYS HD3 H 1.745 0.000 1 1618 136 LYS HE2 H 2.970 0.000 1 1619 136 LYS HE3 H 2.970 0.000 1 1620 136 LYS HG2 H 1.528 0.000 1 1621 136 LYS HG3 H 1.805 0.000 1 1622 136 LYS N N 118.431 0.029 1 1623 137 GLN C C 180.289 0.000 1 1624 137 GLN CA C 58.776 0.000 1 1625 137 GLN CB C 28.468 0.000 1 1626 137 GLN CG C 34.031 0.000 1 1627 137 GLN H H 8.371 0.000 1 1628 137 GLN HA H 4.358 0.000 1 1629 137 GLN HB2 H 2.441 0.000 1 1630 137 GLN HB3 H 2.324 0.000 1 1631 137 GLN HE21 H 6.816 0.000 1 1632 137 GLN HE22 H 7.423 0.000 1 1633 137 GLN HG2 H 2.629 0.000 1 1634 137 GLN HG3 H 2.533 0.000 1 1635 137 GLN N N 120.731 0.025 1 1636 137 GLN NE2 N 110.920 0.003 1 1637 138 VAL C C 178.686 0.000 1 1638 138 VAL CA C 67.317 0.000 1 1639 138 VAL CB C 31.465 0.000 1 1640 138 VAL CG1 C 22.431 0.000 1 1641 138 VAL CG2 C 23.863 0.000 1 1642 138 VAL H H 8.511 0.002 1 1643 138 VAL HA H 3.594 0.000 1 1644 138 VAL HB H 2.392 0.000 1 1645 138 VAL HG11 H 0.906 0.000 1 1646 138 VAL HG12 H 0.906 0.000 1 1647 138 VAL HG13 H 0.906 0.000 1 1648 138 VAL HG21 H 1.112 0.000 1 1649 138 VAL HG22 H 1.112 0.000 1 1650 138 VAL HG23 H 1.112 0.000 1 1651 138 VAL N N 122.611 0.025 1 1652 139 ALA C C 179.824 0.000 1 1653 139 ALA CA C 56.122 0.000 1 1654 139 ALA CB C 17.732 0.000 1 1655 139 ALA H H 8.030 0.001 1 1656 139 ALA HA H 4.026 0.000 1 1657 139 ALA HB1 H 1.649 0.000 1 1658 139 ALA HB2 H 1.649 0.000 1 1659 139 ALA HB3 H 1.649 0.000 1 1660 139 ALA N N 124.711 0.020 1 1661 140 ALA C C 181.062 0.000 1 1662 140 ALA CA C 54.992 0.000 1 1663 140 ALA CB C 18.387 0.000 1 1664 140 ALA H H 8.638 0.001 1 1665 140 ALA HA H 4.332 0.000 1 1666 140 ALA HB1 H 1.608 0.000 1 1667 140 ALA HB2 H 1.608 0.000 1 1668 140 ALA HB3 H 1.608 0.000 1 1669 140 ALA N N 121.886 0.023 1 1670 141 SER C C 176.862 0.000 1 1671 141 SER CA C 62.366 0.000 1 1672 141 SER CB C 62.534 0.007 1 1673 141 SER H H 8.535 0.002 1 1674 141 SER HA H 4.322 0.000 1 1675 141 SER HB2 H 3.894 0.000 1 1676 141 SER HB3 H 4.010 0.000 1 1677 141 SER N N 115.443 0.030 1 1678 142 THR C C 175.830 0.000 1 1679 142 THR CA C 68.127 0.000 1 1680 142 THR CB C 67.958 0.000 1 1681 142 THR CG2 C 21.767 0.000 1 1682 142 THR H H 8.153 0.000 1 1683 142 THR HA H 3.801 0.000 1 1684 142 THR HB H 4.394 0.000 1 1685 142 THR HG21 H 1.303 0.000 1 1686 142 THR HG22 H 1.303 0.000 1 1687 142 THR HG23 H 1.303 0.000 1 1688 142 THR N N 120.756 0.000 1 1689 143 ALA C C 180.203 0.000 1 1690 143 ALA CA C 55.273 0.000 1 1691 143 ALA CB C 17.780 0.000 1 1692 143 ALA H H 7.836 0.001 1 1693 143 ALA HA H 4.164 0.000 1 1694 143 ALA HB1 H 1.648 0.000 1 1695 143 ALA HB2 H 1.648 0.000 1 1696 143 ALA HB3 H 1.648 0.000 1 1697 143 ALA N N 123.503 0.013 1 1698 144 GLN C C 178.519 0.000 1 1699 144 GLN CA C 58.687 0.000 1 1700 144 GLN CB C 28.228 0.000 1 1701 144 GLN CG C 34.022 0.000 1 1702 144 GLN H H 7.742 0.002 1 1703 144 GLN HA H 4.146 0.000 1 1704 144 GLN HB2 H 2.322 0.000 1 1705 144 GLN HB3 H 2.223 0.000 1 1706 144 GLN HE21 H 6.777 0.000 1 1707 144 GLN HE22 H 7.435 0.000 1 1708 144 GLN HG2 H 2.508 0.000 1 1709 144 GLN HG3 H 2.508 0.000 1 1710 144 GLN N N 116.653 0.030 1 1711 144 GLN NE2 N 110.693 0.001 1 1712 145 LEU C C 177.962 0.000 1 1713 145 LEU CA C 58.559 0.000 1 1714 145 LEU CB C 41.438 0.000 1 1715 145 LEU CD1 C 24.976 0.000 1 1716 145 LEU CD2 C 26.585 0.000 1 1717 145 LEU CG C 27.643 0.000 1 1718 145 LEU H H 8.018 0.000 1 1719 145 LEU HA H 4.055 0.000 1 1720 145 LEU HB2 H 2.133 0.000 1 1721 145 LEU HB3 H 1.517 0.000 1 1722 145 LEU HD11 H 0.939 0.000 1 1723 145 LEU HD12 H 0.939 0.000 1 1724 145 LEU HD13 H 0.939 0.000 1 1725 145 LEU HD21 H 0.897 0.000 1 1726 145 LEU HD22 H 0.897 0.000 1 1727 145 LEU HD23 H 0.897 0.000 1 1728 145 LEU HG H 1.667 0.000 1 1729 145 LEU N N 121.961 0.018 1 1730 146 LEU C C 179.558 0.000 1 1731 146 LEU CA C 59.400 0.000 1 1732 146 LEU CB C 41.754 0.000 1 1733 146 LEU CD1 C 25.803 0.000 1 1734 146 LEU CD2 C 24.444 0.000 1 1735 146 LEU CG C 28.163 0.000 1 1736 146 LEU H H 8.219 0.000 1 1737 146 LEU HA H 3.960 0.000 1 1738 146 LEU HB2 H 2.036 0.000 1 1739 146 LEU HB3 H 1.671 0.000 1 1740 146 LEU HD11 H 0.976 0.000 1 1741 146 LEU HD12 H 0.976 0.000 1 1742 146 LEU HD13 H 0.976 0.000 1 1743 146 LEU HD21 H 0.913 0.000 1 1744 146 LEU HD22 H 0.913 0.000 1 1745 146 LEU HD23 H 0.913 0.000 1 1746 146 LEU HG H 1.842 0.000 1 1747 146 LEU N N 119.884 0.025 1 1748 147 VAL C C 178.234 0.000 1 1749 147 VAL CA C 66.797 0.000 1 1750 147 VAL CB C 31.774 0.000 1 1751 147 VAL CG1 C 23.030 0.000 1 1752 147 VAL CG2 C 21.287 0.000 1 1753 147 VAL H H 7.993 0.001 1 1754 147 VAL HA H 3.684 0.000 1 1755 147 VAL HB H 2.233 0.000 1 1756 147 VAL HG11 H 1.173 0.000 1 1757 147 VAL HG12 H 1.173 0.000 1 1758 147 VAL HG13 H 1.173 0.000 1 1759 147 VAL HG21 H 1.065 0.000 1 1760 147 VAL HG22 H 1.065 0.000 1 1761 147 VAL HG23 H 1.065 0.000 1 1762 147 VAL N N 118.476 0.024 1 1763 148 ALA C C 180.554 0.000 1 1764 148 ALA CA C 54.983 0.000 1 1765 148 ALA CB C 17.749 0.000 1 1766 148 ALA H H 8.000 0.003 1 1767 148 ALA HA H 4.339 0.000 1 1768 148 ALA HB1 H 1.514 0.000 1 1769 148 ALA HB2 H 1.514 0.000 1 1770 148 ALA HB3 H 1.514 0.000 1 1771 148 ALA N N 121.242 0.016 1 1772 149 CYS C C 175.804 0.000 1 1773 149 CYS CA C 63.577 0.000 1 1774 149 CYS CB C 28.138 0.005 1 1775 149 CYS H H 7.996 0.001 1 1776 149 CYS HA H 4.511 0.000 1 1777 149 CYS HB2 H 2.838 0.000 1 1778 149 CYS HB3 H 3.054 0.000 1 1779 149 CYS N N 114.284 0.031 1 1780 150 LYS C C 177.101 0.000 1 1781 150 LYS CA C 58.571 0.000 1 1782 150 LYS CB C 32.538 0.000 1 1783 150 LYS CD C 29.028 0.000 1 1784 150 LYS CE C 42.266 0.000 1 1785 150 LYS CG C 25.540 0.002 1 1786 150 LYS H H 8.160 0.003 1 1787 150 LYS HA H 4.240 0.000 1 1788 150 LYS HB2 H 2.021 0.000 1 1789 150 LYS HB3 H 2.021 0.000 1 1790 150 LYS HD2 H 1.796 0.000 1 1791 150 LYS HD3 H 1.796 0.000 1 1792 150 LYS HE2 H 3.040 0.000 1 1793 150 LYS HE3 H 3.040 0.000 1 1794 150 LYS HG2 H 1.552 0.000 1 1795 150 LYS HG3 H 1.647 0.000 1 1796 150 LYS N N 118.637 0.019 1 1797 151 VAL C C 176.523 0.000 1 1798 151 VAL CA C 64.858 0.000 1 1799 151 VAL CB C 32.507 0.000 1 1800 151 VAL CG1 C 21.362 0.000 1 1801 151 VAL CG2 C 21.774 0.000 1 1802 151 VAL H H 7.624 0.001 1 1803 151 VAL HA H 4.007 0.000 1 1804 151 VAL HB H 2.286 0.000 1 1805 151 VAL HG11 H 1.090 0.000 1 1806 151 VAL HG12 H 1.090 0.000 1 1807 151 VAL HG13 H 1.090 0.000 1 1808 151 VAL HG21 H 1.263 0.000 1 1809 151 VAL HG22 H 1.263 0.000 1 1810 151 VAL HG23 H 1.263 0.000 1 1811 151 VAL N N 116.458 0.020 1 1812 152 LYS C C 175.496 0.000 1 1813 152 LYS CA C 55.389 0.000 1 1814 152 LYS CB C 34.926 0.008 1 1815 152 LYS CD C 28.572 0.015 1 1816 152 LYS CE C 41.976 0.000 1 1817 152 LYS CG C 24.448 0.008 1 1818 152 LYS H H 7.134 0.001 1 1819 152 LYS HA H 4.435 0.000 1 1820 152 LYS HB2 H 1.486 0.000 1 1821 152 LYS HB3 H 1.136 0.000 1 1822 152 LYS HD2 H 0.988 0.000 1 1823 152 LYS HD3 H 1.273 0.000 1 1824 152 LYS HE2 H 2.568 0.000 1 1825 152 LYS HE3 H 2.568 0.000 1 1826 152 LYS HG2 H 0.535 0.000 1 1827 152 LYS HG3 H 0.779 0.000 1 1828 152 LYS N N 116.091 0.059 1 1829 153 ALA C C 176.692 0.000 1 1830 153 ALA CA C 52.315 0.000 1 1831 153 ALA CB C 20.283 0.000 1 1832 153 ALA H H 7.829 0.002 1 1833 153 ALA HA H 4.422 0.000 1 1834 153 ALA HB1 H 1.472 0.000 1 1835 153 ALA HB2 H 1.472 0.000 1 1836 153 ALA HB3 H 1.472 0.000 1 1837 153 ALA N N 121.543 0.004 1 1838 154 ASP C C 177.375 0.000 1 1839 154 ASP CA C 54.215 0.000 1 1840 154 ASP CB C 41.397 0.000 1 1841 154 ASP H H 8.508 0.005 1 1842 154 ASP HA H 4.662 0.000 1 1843 154 ASP HB2 H 2.762 0.000 1 1844 154 ASP HB3 H 2.762 0.000 1 1845 154 ASP N N 120.280 0.039 1 1846 155 GLN C C 175.615 0.000 1 1847 155 GLN CA C 57.431 0.000 1 1848 155 GLN CB C 29.214 0.000 1 1849 155 GLN CG C 33.827 0.000 1 1850 155 GLN H H 8.589 0.002 1 1851 155 GLN HA H 4.180 0.000 1 1852 155 GLN HB2 H 2.164 0.000 1 1853 155 GLN HB3 H 2.164 0.000 1 1854 155 GLN HE21 H 6.841 0.000 1 1855 155 GLN HE22 H 7.652 0.000 1 1856 155 GLN HG2 H 2.458 0.000 1 1857 155 GLN HG3 H 2.458 0.000 1 1858 155 GLN N N 121.666 0.051 1 1859 155 GLN NE2 N 112.163 0.000 1 1860 156 ASP C C 175.880 0.000 1 1861 156 ASP CA C 54.099 0.000 1 1862 156 ASP CB C 41.097 0.000 1 1863 156 ASP H H 8.502 0.003 1 1864 156 ASP HA H 4.799 0.000 1 1865 156 ASP HB2 H 2.663 0.000 1 1866 156 ASP HB3 H 2.835 0.000 1 1867 156 ASP N N 118.985 0.020 1 1868 157 SER C C 175.630 0.000 1 1869 157 SER CA C 57.979 0.000 1 1870 157 SER CB C 64.871 0.002 1 1871 157 SER H H 7.672 0.004 1 1872 157 SER HA H 4.556 0.000 1 1873 157 SER HB2 H 4.021 0.000 1 1874 157 SER HB3 H 4.402 0.000 1 1875 157 SER N N 115.820 0.026 1 1876 158 GLU C C 179.284 0.000 1 1877 158 GLU CA C 59.767 0.000 1 1878 158 GLU CB C 29.303 0.000 1 1879 158 GLU CG C 36.313 0.000 1 1880 158 GLU H H 9.064 0.004 1 1881 158 GLU HA H 4.091 0.000 1 1882 158 GLU HB2 H 2.160 0.000 1 1883 158 GLU HB3 H 2.160 0.000 1 1884 158 GLU HG2 H 2.367 0.000 1 1885 158 GLU HG3 H 2.367 0.000 1 1886 158 GLU N N 125.504 0.003 1 1887 159 ALA C C 180.934 0.000 1 1888 159 ALA CA C 55.240 0.000 1 1889 159 ALA CB C 17.894 0.000 1 1890 159 ALA H H 8.934 0.006 1 1891 159 ALA HA H 4.138 0.000 1 1892 159 ALA HB1 H 1.460 0.000 1 1893 159 ALA HB2 H 1.460 0.000 1 1894 159 ALA HB3 H 1.460 0.000 1 1895 159 ALA N N 121.172 0.020 1 1896 160 MET C C 179.312 0.000 1 1897 160 MET CA C 56.327 0.000 1 1898 160 MET CB C 31.337 0.000 1 1899 160 MET CE C 17.485 0.000 1 1900 160 MET CG C 33.025 0.002 1 1901 160 MET H H 7.898 0.002 1 1902 160 MET HA H 4.638 0.000 1 1903 160 MET HB2 H 2.191 0.000 1 1904 160 MET HB3 H 2.191 0.000 1 1905 160 MET HE1 H 2.082 0.000 1 1906 160 MET HE2 H 2.082 0.000 1 1907 160 MET HE3 H 2.082 0.000 1 1908 160 MET HG2 H 2.748 0.000 1 1909 160 MET HG3 H 2.700 0.000 1 1910 160 MET N N 117.141 0.032 1 1911 161 LYS C C 180.555 0.000 1 1912 161 LYS CA C 60.281 0.000 1 1913 161 LYS CB C 32.236 0.000 1 1914 161 LYS CD C 29.207 0.000 1 1915 161 LYS CE C 42.266 0.000 1 1916 161 LYS CG C 25.535 0.000 1 1917 161 LYS H H 8.338 0.005 1 1918 161 LYS HA H 4.165 0.000 1 1919 161 LYS HB2 H 1.978 0.000 1 1920 161 LYS HB3 H 2.056 0.000 1 1921 161 LYS HD2 H 1.753 0.000 1 1922 161 LYS HD3 H 1.753 0.000 1 1923 161 LYS HE2 H 3.028 0.000 1 1924 161 LYS HE3 H 3.028 0.000 1 1925 161 LYS HG2 H 1.534 0.000 1 1926 161 LYS HG3 H 1.534 0.000 1 1927 161 LYS N N 122.252 0.043 1 1928 162 ARG C C 179.614 0.000 1 1929 162 ARG CA C 59.423 0.000 1 1930 162 ARG CB C 30.195 0.000 1 1931 162 ARG CD C 43.590 0.000 1 1932 162 ARG CG C 27.592 0.002 1 1933 162 ARG H H 8.194 0.000 1 1934 162 ARG HA H 4.199 0.000 1 1935 162 ARG HB2 H 1.976 0.000 1 1936 162 ARG HB3 H 2.100 0.000 1 1937 162 ARG HD2 H 3.321 0.000 1 1938 162 ARG HD3 H 3.321 0.000 1 1939 162 ARG HG2 H 1.965 0.000 1 1940 162 ARG HG3 H 1.797 0.000 1 1941 162 ARG N N 120.128 0.029 1 1942 163 LEU C C 178.272 0.000 1 1943 163 LEU CA C 58.560 0.000 1 1944 163 LEU CB C 42.317 0.004 1 1945 163 LEU CD1 C 26.924 0.000 1 1946 163 LEU CD2 C 25.990 0.000 1 1947 163 LEU CG C 27.023 0.000 1 1948 163 LEU H H 8.216 0.001 1 1949 163 LEU HA H 4.024 0.000 1 1950 163 LEU HB2 H 1.803 0.000 1 1951 163 LEU HB3 H 2.049 0.000 1 1952 163 LEU HD11 H 1.054 0.000 1 1953 163 LEU HD12 H 1.054 0.000 1 1954 163 LEU HD13 H 1.054 0.000 1 1955 163 LEU HD21 H 1.010 0.000 1 1956 163 LEU HD22 H 1.010 0.000 1 1957 163 LEU HD23 H 1.010 0.000 1 1958 163 LEU HG H 1.694 0.000 1 1959 163 LEU N N 122.371 0.032 1 1960 164 GLN C C 178.718 0.000 1 1961 164 GLN CA C 58.897 0.000 1 1962 164 GLN CB C 28.526 0.000 1 1963 164 GLN CG C 34.022 0.000 1 1964 164 GLN H H 8.587 0.003 1 1965 164 GLN HA H 4.020 0.000 1 1966 164 GLN HB2 H 2.237 0.000 1 1967 164 GLN HB3 H 2.237 0.000 1 1968 164 GLN HE21 H 6.801 0.000 1 1969 164 GLN HE22 H 7.396 0.000 1 1970 164 GLN HG2 H 2.508 0.000 1 1971 164 GLN HG3 H 2.508 0.000 1 1972 164 GLN N N 118.422 0.022 1 1973 164 GLN NE2 N 111.400 0.000 1 1974 165 ALA C C 181.152 0.000 1 1975 165 ALA CA C 55.093 0.000 1 1976 165 ALA CB C 17.875 0.000 1 1977 165 ALA H H 8.089 0.000 1 1978 165 ALA HA H 4.303 0.000 1 1979 165 ALA HB1 H 1.626 0.000 1 1980 165 ALA HB2 H 1.626 0.000 1 1981 165 ALA HB3 H 1.626 0.000 1 1982 165 ALA N N 121.930 0.019 1 1983 166 ALA C C 180.635 0.000 1 1984 166 ALA CA C 54.938 0.000 1 1985 166 ALA CB C 17.306 0.000 1 1986 166 ALA H H 8.201 0.002 1 1987 166 ALA HA H 4.400 0.000 1 1988 166 ALA HB1 H 1.611 0.000 1 1989 166 ALA HB2 H 1.611 0.000 1 1990 166 ALA HB3 H 1.611 0.000 1 1991 166 ALA N N 122.445 0.026 1 1992 167 GLY C C 176.266 0.000 1 1993 167 GLY CA C 47.639 0.000 1 1994 167 GLY H H 8.973 0.003 1 1995 167 GLY HA2 H 3.698 0.000 1 1996 167 GLY HA3 H 3.824 0.000 1 1997 167 GLY N N 107.407 0.029 1 1998 168 ASN C C 177.679 0.000 1 1999 168 ASN CA C 55.992 0.000 1 2000 168 ASN CB C 37.845 0.006 1 2001 168 ASN H H 8.520 0.003 1 2002 168 ASN HA H 4.596 0.000 1 2003 168 ASN HB2 H 2.942 0.000 1 2004 168 ASN HB3 H 3.075 0.000 1 2005 168 ASN HD21 H 7.683 0.000 1 2006 168 ASN HD22 H 7.070 0.000 1 2007 168 ASN N N 122.153 0.024 1 2008 168 ASN ND2 N 111.746 0.008 1 2009 169 ALA C C 181.136 0.000 1 2010 169 ALA CA C 55.307 0.000 1 2011 169 ALA CB C 17.914 0.000 1 2012 169 ALA H H 7.994 0.001 1 2013 169 ALA HA H 4.273 0.000 1 2014 169 ALA HB1 H 1.706 0.000 1 2015 169 ALA HB2 H 1.706 0.000 1 2016 169 ALA HB3 H 1.706 0.000 1 2017 169 ALA N N 123.585 0.031 1 2018 170 VAL C C 178.082 0.000 1 2019 170 VAL CA C 67.269 0.000 1 2020 170 VAL CB C 31.850 0.000 1 2021 170 VAL CG1 C 21.931 0.000 1 2022 170 VAL CG2 C 23.819 0.000 1 2023 170 VAL H H 8.260 0.002 1 2024 170 VAL HA H 3.509 0.000 1 2025 170 VAL HB H 2.414 0.000 1 2026 170 VAL HG11 H 0.987 0.000 1 2027 170 VAL HG12 H 0.987 0.000 1 2028 170 VAL HG13 H 0.987 0.000 1 2029 170 VAL HG21 H 1.166 0.000 1 2030 170 VAL HG22 H 1.166 0.000 1 2031 170 VAL HG23 H 1.166 0.000 1 2032 170 VAL N N 119.294 0.030 1 2033 171 LYS C C 178.252 0.000 1 2034 171 LYS CA C 60.258 0.000 1 2035 171 LYS CB C 32.193 0.000 1 2036 171 LYS CD C 28.883 0.007 1 2037 171 LYS CE C 42.298 0.000 1 2038 171 LYS CG C 25.178 0.000 1 2039 171 LYS H H 8.010 0.000 1 2040 171 LYS HA H 3.927 0.000 1 2041 171 LYS HB2 H 2.070 0.000 1 2042 171 LYS HB3 H 2.135 0.000 1 2043 171 LYS HD2 H 1.735 0.000 1 2044 171 LYS HD3 H 1.831 0.000 1 2045 171 LYS HE2 H 3.071 0.000 1 2046 171 LYS HE3 H 3.071 0.000 1 2047 171 LYS HG2 H 1.522 0.000 1 2048 171 LYS HG3 H 1.609 0.000 1 2049 171 LYS N N 121.722 0.022 1 2050 172 ARG C C 178.603 0.000 1 2051 172 ARG CA C 59.346 0.000 1 2052 172 ARG CB C 30.439 0.000 1 2053 172 ARG CD C 43.580 0.000 1 2054 172 ARG CG C 27.436 0.031 1 2055 172 ARG H H 8.135 0.001 1 2056 172 ARG HA H 4.207 0.000 1 2057 172 ARG HB2 H 1.968 0.000 1 2058 172 ARG HB3 H 1.968 0.000 1 2059 172 ARG HD2 H 3.339 0.000 1 2060 172 ARG HD3 H 3.339 0.000 1 2061 172 ARG HG2 H 1.872 0.000 1 2062 172 ARG HG3 H 1.725 0.000 1 2063 172 ARG N N 117.901 0.003 1 2064 173 ALA C C 180.505 0.000 1 2065 173 ALA CA C 55.116 0.000 1 2066 173 ALA CB C 18.575 0.000 1 2067 173 ALA H H 7.988 0.001 1 2068 173 ALA HA H 4.362 0.000 1 2069 173 ALA HB1 H 1.559 0.000 1 2070 173 ALA HB2 H 1.559 0.000 1 2071 173 ALA HB3 H 1.559 0.000 1 2072 173 ALA N N 120.678 0.011 1 2073 174 SER C C 176.020 0.000 1 2074 174 SER CA C 62.575 0.000 1 2075 174 SER CB C 62.248 0.000 1 2076 174 SER H H 8.917 0.000 1 2077 174 SER HA H 4.027 0.000 1 2078 174 SER HB2 H 4.024 0.000 1 2079 174 SER HB3 H 4.024 0.000 1 2080 174 SER N N 115.998 0.019 1 2081 175 ASP C C 179.233 0.000 1 2082 175 ASP CA C 57.615 0.000 1 2083 175 ASP CB C 40.195 0.000 1 2084 175 ASP H H 8.387 0.003 1 2085 175 ASP HA H 4.467 0.000 1 2086 175 ASP HB2 H 2.969 0.000 1 2087 175 ASP HB3 H 2.701 0.000 1 2088 175 ASP N N 122.444 0.021 1 2089 176 ASN C C 178.107 0.000 1 2090 176 ASN CA C 56.047 0.000 1 2091 176 ASN CB C 37.859 0.008 1 2092 176 ASN H H 8.104 0.001 1 2093 176 ASN HA H 4.583 0.000 1 2094 176 ASN HB2 H 2.942 0.000 1 2095 176 ASN HB3 H 3.130 0.000 1 2096 176 ASN HD21 H 6.861 0.000 1 2097 176 ASN HD22 H 7.814 0.000 1 2098 176 ASN N N 118.419 0.036 1 2099 176 ASN ND2 N 111.196 0.001 1 2100 177 LEU C C 177.901 0.000 1 2101 177 LEU CA C 58.647 0.000 1 2102 177 LEU CB C 41.551 0.004 1 2103 177 LEU CD1 C 25.564 0.000 1 2104 177 LEU CD2 C 26.037 0.000 1 2105 177 LEU CG C 28.185 0.000 1 2106 177 LEU H H 8.100 0.002 1 2107 177 LEU HA H 4.074 0.000 1 2108 177 LEU HB2 H 1.777 0.000 1 2109 177 LEU HB3 H 2.161 0.000 1 2110 177 LEU HD11 H 1.064 0.000 1 2111 177 LEU HD12 H 1.064 0.000 1 2112 177 LEU HD13 H 1.064 0.000 1 2113 177 LEU HD21 H 1.002 0.000 1 2114 177 LEU HD22 H 1.002 0.000 1 2115 177 LEU HD23 H 1.002 0.000 1 2116 177 LEU HG H 1.765 0.000 1 2117 177 LEU N N 122.849 0.056 1 2118 178 VAL C C 177.707 0.000 1 2119 178 VAL CA C 67.888 0.000 1 2120 178 VAL CB C 31.679 0.000 1 2121 178 VAL CG1 C 21.241 0.000 1 2122 178 VAL CG2 C 23.751 0.000 1 2123 178 VAL H H 8.249 0.000 1 2124 178 VAL HA H 3.458 0.000 1 2125 178 VAL HB H 2.332 0.000 1 2126 178 VAL HG11 H 1.012 0.000 1 2127 178 VAL HG12 H 1.012 0.000 1 2128 178 VAL HG13 H 1.012 0.000 1 2129 178 VAL HG21 H 1.220 0.000 1 2130 178 VAL HG22 H 1.220 0.000 1 2131 178 VAL HG23 H 1.220 0.000 1 2132 178 VAL N N 119.664 0.015 1 2133 179 LYS C C 179.419 0.000 1 2134 179 LYS CA C 59.555 0.000 1 2135 179 LYS CB C 32.279 0.000 1 2136 179 LYS CD C 25.548 0.006 1 2137 179 LYS CE C 42.286 0.000 1 2138 179 LYS CG C 29.209 0.000 1 2139 179 LYS H H 7.970 0.001 1 2140 179 LYS HA H 4.135 0.000 1 2141 179 LYS HB2 H 1.987 0.000 1 2142 179 LYS HB3 H 1.987 0.000 1 2143 179 LYS HD2 H 1.706 0.000 1 2144 179 LYS HD3 H 1.552 0.000 1 2145 179 LYS HE2 H 3.055 0.000 1 2146 179 LYS HE3 H 3.055 0.000 1 2147 179 LYS HG2 H 1.772 0.000 1 2148 179 LYS HG3 H 1.772 0.000 1 2149 179 LYS N N 117.605 0.017 1 2150 180 ALA C C 179.730 0.000 1 2151 180 ALA CA C 54.952 0.000 1 2152 180 ALA CB C 18.047 0.000 1 2153 180 ALA H H 7.933 0.000 1 2154 180 ALA HA H 4.249 0.000 1 2155 180 ALA HB1 H 1.561 0.000 1 2156 180 ALA HB2 H 1.561 0.000 1 2157 180 ALA HB3 H 1.561 0.000 1 2158 180 ALA N N 121.376 0.019 1 2159 181 ALA C C 178.916 0.000 1 2160 181 ALA CA C 54.525 0.000 1 2161 181 ALA CB C 18.955 0.000 1 2162 181 ALA H H 8.668 0.000 1 2163 181 ALA HA H 4.226 0.000 1 2164 181 ALA HB1 H 1.566 0.000 1 2165 181 ALA HB2 H 1.566 0.000 1 2166 181 ALA HB3 H 1.566 0.000 1 2167 181 ALA N N 118.878 0.011 1 2168 182 GLN C C 177.614 0.000 1 2169 182 GLN CA C 57.978 0.000 1 2170 182 GLN CB C 28.806 0.000 1 2171 182 GLN CG C 34.675 0.004 1 2172 182 GLN H H 8.125 0.004 1 2173 182 GLN HA H 4.159 0.000 1 2174 182 GLN HB2 H 2.282 0.000 1 2175 182 GLN HB3 H 2.173 0.000 1 2176 182 GLN HE21 H 6.771 0.000 1 2177 182 GLN HE22 H 7.275 0.000 1 2178 182 GLN HG2 H 2.462 0.000 1 2179 182 GLN HG3 H 2.724 0.000 1 2180 182 GLN N N 115.817 0.015 1 2181 182 GLN NE2 N 110.494 0.032 1 2182 183 LYS C C 176.962 0.000 1 2183 183 LYS CA C 57.446 0.000 1 2184 183 LYS CB C 32.317 0.000 1 2185 183 LYS CD C 29.161 0.000 1 2186 183 LYS CE C 42.266 0.000 1 2187 183 LYS CG C 25.178 0.000 1 2188 183 LYS H H 7.731 0.001 1 2189 183 LYS HA H 4.200 0.000 1 2190 183 LYS HB2 H 1.890 0.000 1 2191 183 LYS HB3 H 1.890 0.000 1 2192 183 LYS HD2 H 1.764 0.000 1 2193 183 LYS HD3 H 1.764 0.000 1 2194 183 LYS HE2 H 3.040 0.000 1 2195 183 LYS HE3 H 3.040 0.000 1 2196 183 LYS HG2 H 1.609 0.000 2 2197 183 LYS HG3 H 1.522 0.000 2 2198 183 LYS N N 118.655 0.010 1 2199 184 ALA C C 177.657 0.000 1 2200 184 ALA CA C 53.116 0.000 1 2201 184 ALA CB C 18.995 0.000 1 2202 184 ALA H H 7.694 0.000 1 2203 184 ALA HA H 3.916 0.000 1 2204 184 ALA HB1 H 1.288 0.000 1 2205 184 ALA HB2 H 1.288 0.000 1 2206 184 ALA HB3 H 1.288 0.000 1 2207 184 ALA N N 121.739 0.027 1 2208 185 ALA C C 177.402 0.000 1 2209 185 ALA CA C 52.870 0.000 1 2210 185 ALA CB C 19.186 0.000 1 2211 185 ALA H H 7.815 0.006 1 2212 185 ALA HA H 4.260 0.000 1 2213 185 ALA HB1 H 1.411 0.000 1 2214 185 ALA HB2 H 1.411 0.000 1 2215 185 ALA HB3 H 1.411 0.000 1 2216 185 ALA N N 121.346 0.032 1 2217 186 ALA C C 177.258 0.000 1 2218 186 ALA CA C 52.620 0.000 1 2219 186 ALA CB C 19.135 0.000 1 2220 186 ALA H H 7.812 0.004 1 2221 186 ALA HA H 4.309 0.000 1 2222 186 ALA HB1 H 1.314 0.000 1 2223 186 ALA HB2 H 1.314 0.000 1 2224 186 ALA HB3 H 1.314 0.000 1 2225 186 ALA N N 121.299 0.066 1 2226 187 PHE C C 175.514 0.000 1 2227 187 PHE CA C 57.587 0.000 1 2228 187 PHE CB C 39.800 0.001 1 2229 187 PHE CD1 C 131.983 0.000 3 2230 187 PHE CD2 C 131.983 0.000 3 2231 187 PHE CE1 C 131.173 0.000 3 2232 187 PHE CE2 C 131.173 0.000 3 2233 187 PHE CZ C 129.424 0.000 1 2234 187 PHE H H 7.946 0.005 1 2235 187 PHE HA H 4.729 0.000 1 2236 187 PHE HB2 H 3.067 0.000 1 2237 187 PHE HB3 H 3.322 0.000 1 2238 187 PHE HD1 H 7.359 0.000 3 2239 187 PHE HD2 H 7.359 0.000 3 2240 187 PHE HE1 H 7.419 0.000 3 2241 187 PHE HE2 H 7.419 0.000 3 2242 187 PHE HZ H 7.352 0.000 1 2243 187 PHE N N 118.287 0.021 1 2244 188 GLU C C 175.073 0.000 1 2245 188 GLU CA C 56.404 0.000 1 2246 188 GLU CB C 30.961 0.004 1 2247 188 GLU CG C 35.947 0.006 1 2248 188 GLU H H 8.153 0.006 1 2249 188 GLU HA H 4.440 0.000 1 2250 188 GLU HB2 H 1.996 0.000 1 2251 188 GLU HB3 H 2.168 0.000 1 2252 188 GLU HG2 H 2.005 0.000 1 2253 188 GLU HG3 H 2.172 0.000 1 2254 188 GLU N N 121.945 0.023 1 2255 189 ASP C C 180.750 0.000 1 2256 189 ASP CA C 55.920 0.000 1 2257 189 ASP CB C 42.370 0.001 1 2258 189 ASP H H 7.977 0.003 1 2259 189 ASP HA H 4.480 0.000 1 2260 189 ASP HB2 H 2.669 0.000 1 2261 189 ASP HB3 H 2.755 0.000 1 2262 189 ASP N N 126.840 0.015 1 stop_
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