============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 9 1.000 58.503 46.919 19.801 -99.200 -91.000 TYR 10 0.840 52.342 49.042 25.336 -99.200 -91.000 TYR 14 0.840 53.063 59.861 28.491 -99.200 -91.000 TYR 15 0.840 60.148 60.418 22.681 -99.200 -91.000 PHE 32 1.000 73.556 60.320 28.999 -99.200 -91.000 HIS 92 0.900 44.838 31.634 31.749 -99.200 -91.000 PHE 100 1.000 40.505 22.469 31.933 -99.200 -91.000 PHE 104 1.000 56.086 28.149 34.503 -99.200 -91.000 TYR 111 0.840 69.231 32.179 31.194 -99.200 -91.000 TYR 123 0.840 53.692 22.001 27.497 -99.200 -91.000 TYR 142 0.840 70.142 50.306 36.118 -99.200 -91.000 HIS 163 0.900 54.969 20.875 17.595 -99.200 -91.000 TYR 177 0.840 80.601 30.203 31.856 -99.200 -91.000 TYR 182 0.840 76.539 38.367 44.680 -99.200 -91.000 PHE 184 1.000 71.050 44.448 37.585 -99.200 -91.000 TRP 185 1.040 73.520 42.217 44.717 -99.200 -91.000 TRP6 185 1.020 75.513 43.365 44.144 -99.200 -91.000 HIS 190 0.900 68.853 46.820 48.647 -99.200 -91.000 TYR 192 0.840 65.315 53.372 42.676 -99.200 -91.000 TYR 204 0.840 76.503 41.561 27.350 -99.200 -91.000 PHE 208 1.000 79.321 36.837 22.398 -99.200 -91.000 TRP 212 1.040 81.974 32.152 19.770 -99.200 -91.000 TRP6 212 1.020 80.633 31.269 18.032 -99.200 -91.000 TYR 215 0.840 76.412 27.405 18.947 -99.200 -91.000 PHE 226 1.000 75.826 31.284 14.204 -99.200 -91.000 PHE 231 1.000 76.140 39.906 20.415 -99.200 -91.000 HIS 232 0.900 70.529 42.014 28.141 -99.200 -91.000 PHE 235 1.000 75.834 49.830 27.738 -99.200 -91.000 TYR 262 0.840 75.246 45.098 18.035 -99.200 -91.000 TYR 268 0.840 62.190 48.234 15.417 -99.200 -91.000 TYR 271 0.840 65.667 55.730 17.609 -99.200 -91.000 TYR 276 0.840 66.212 45.406 34.135 -99.200 -91.000 TYR 281 0.840 64.329 36.467 23.565 -99.200 -91.000 PHE 302 1.000 75.747 36.010 25.826 -99.200 -91.000 TYR 304 0.840 75.395 38.722 31.444 -99.200 -91.000 PHE 312 1.000 75.810 31.911 19.909 -99.200 -91.000 TYR 313 0.840 68.512 30.957 21.626 -99.200 -91.000 TYR 321 0.840 62.001 36.631 7.636 -99.200 -91.000 HIS 324 0.900 53.325 34.564 8.656 -99.200 -91.000 HIS 330 0.900 56.628 45.485 15.587 -99.200 -91.000 TYR 345 0.840 63.236 60.499 33.590 -99.200 -91.000 PHE 348 1.000 54.677 60.981 33.092 -99.200 -91.000 PHE 349 1.000 62.775 56.693 38.321 -99.200 -91.000 PHE 352 1.000 56.396 52.282 37.388 -99.200 -91.000 PHE 357 1.000 46.572 53.691 40.559 -99.200 -91.000 HIS 365 0.900 39.173 60.725 27.095 -99.200 -91.000 HIS 369 0.900 40.112 51.331 20.545 -99.200 -91.000 PHE 371 1.000 44.336 43.821 27.824 -99.200 -91.000 TYR 372 0.840 43.677 52.422 31.474 -99.200 -91.000 TYR 383 0.840 46.111 45.055 35.773 -99.200 -91.000 HIS 384 0.900 40.598 50.390 29.402 -99.200 -91.000