============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. HIS 12 0.900 162.048 171.068 0.272 -99.200 -91.000 PHE 18 1.000 162.738 169.333 7.766 -99.200 -91.000 TYR 19 0.840 169.143 163.844 10.789 -99.200 -91.000 TRP 33 1.040 191.854 169.919 15.352 -99.200 -91.000 TRP6 33 1.020 190.912 168.481 16.970 -99.200 -91.000 PHE 37 1.000 192.902 170.295 20.554 -99.200 -91.000 HIS 43 0.900 194.418 160.800 10.461 -99.200 -91.000 TYR 44 0.840 184.035 163.096 10.855 -99.200 -91.000 PHE 65 1.000 188.323 161.912 5.533 -99.200 -91.000 PHE 88 1.000 190.564 148.805 9.025 -99.200 -91.000 HIS 90 0.900 187.230 147.933 15.422 -99.200 -91.000 PHE 100 1.000 188.232 147.654 0.481 -99.200 -91.000 PHE 111 1.000 199.778 146.478 18.064 -99.200 -91.000 PHE 115 1.000 195.451 134.682 19.705 -99.200 -91.000 HIS 121 0.900 204.493 137.360 10.046 -99.200 -91.000 TYR 123 0.840 195.218 136.599 6.242 -99.200 -91.000 HIS 124 0.900 198.110 146.100 4.853 -99.200 -91.000 PHE 148 1.000 187.266 148.178 20.895 -99.200 -91.000 HIS 157 0.900 203.729 138.813 24.871 -99.200 -91.000 TYR 161 0.840 203.333 137.624 18.793 -99.200 -91.000 PHE 174 1.000 195.345 159.288 24.806 -99.200 -91.000 HIS 175 0.900 187.922 157.728 22.160 -99.200 -91.000 TYR 186 0.840 191.052 163.796 26.241 -99.200 -91.000 TYR 187 0.840 199.557 166.452 32.506 -99.200 -91.000 PHE 197 1.000 206.453 157.938 20.800 -99.200 -91.000 HIS 205 0.900 208.546 147.889 17.445 -99.200 -91.000 TYR 208 0.840 206.422 157.835 12.050 -99.200 -91.000 HIS 217 0.900 180.687 166.501 24.310 -99.200 -91.000 TYR 231 0.840 195.073 169.724 32.642 -99.200 -91.000 PHE 238 1.000 204.061 163.986 30.564 -99.200 -91.000 PHE 239 1.000 204.415 161.748 23.383 -99.200 -91.000 PHE 252 1.000 186.226 170.518 18.147 -99.200 -91.000 PHE 253 1.000 186.569 168.688 13.387 -99.200 -91.000 HIS 256 0.900 177.792 172.212 18.367 -99.200 -91.000 TYR 257 0.840 176.971 168.341 8.367 -99.200 -91.000 TYR 274 0.840 148.491 169.748 27.896 -99.200 -91.000 TYR 276 0.840 152.302 167.422 22.904 -99.200 -91.000 PHE 277 1.000 152.438 158.527 21.174 -99.200 -91.000 PHE 278 1.000 157.403 165.274 18.952 -99.200 -91.000 TYR 283 0.840 163.722 150.842 18.968 -99.200 -91.000 PHE 286 1.000 165.169 162.685 18.416 -99.200 -91.000 PHE 291 1.000 172.453 152.390 22.384 -99.200 -91.000 TYR 310 0.840 157.257 177.346 28.012 -99.200 -91.000 TYR 316 0.840 155.018 158.626 25.407 -99.200 -91.000 HIS 328 0.900 161.150 158.627 29.963 -99.200 -91.000 HIS 336 0.900 147.672 173.302 19.232 -99.200 -91.000 TRP 340 1.040 156.682 170.424 10.361 -99.200 -91.000 TRP6 340 1.020 157.950 168.507 9.776 -99.200 -91.000 TYR 342 0.840 164.989 174.414 15.468 -99.200 -91.000 PHE 343 1.000 164.130 167.241 19.619 -99.200 -91.000 TRP 346 1.040 169.462 164.645 17.221 -99.200 -91.000 TRP6 346 1.020 169.489 164.855 19.580 -99.200 -91.000 TYR 349 0.840 179.082 158.958 17.916 -99.200 -91.000 PHE 357 1.000 161.216 147.635 16.356 -99.200 -91.000 PHE 360 1.000 156.513 154.387 12.219 -99.200 -91.000 TYR 363 0.840 167.899 160.128 7.678 -99.200 -91.000 TYR 366 0.840 164.990 169.041 2.745 -99.200 -91.000 TYR 367 0.840 173.364 168.077 2.468 -99.200 -91.000