============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 16.060 -14.149 33.813 -99.200 -91.000 TYR 31 0.840 30.980 -14.917 38.047 -99.200 -91.000 TYR 36 0.840 27.464 -18.419 33.183 -99.200 -91.000 TYR 37 0.840 25.628 -17.235 25.335 -99.200 -91.000 PHE 38 1.000 20.958 -14.780 31.660 -99.200 -91.000 TRP 40 1.040 14.111 -11.358 28.999 -99.200 -91.000 TRP6 40 1.020 16.465 -11.074 29.116 -99.200 -91.000 TYR 42 0.840 7.313 -12.524 20.064 -99.200 -91.000 PHE 57 1.000 19.369 -8.874 18.884 -99.200 -91.000 PHE 66 1.000 33.299 -6.714 16.021 -99.200 -91.000 TYR 89 0.840 48.818 4.776 4.923 -99.200 -91.000 TRP 90 1.040 41.985 9.425 -0.813 -99.200 -91.000 TRP6 90 1.020 39.938 9.958 0.264 -99.200 -91.000 TRP 98 1.040 42.001 16.740 4.399 -99.200 -91.000 TRP6 98 1.020 41.196 15.055 5.874 -99.200 -91.000 HIS 105 0.900 45.701 14.366 14.725 -99.200 -91.000 TYR 109 0.840 35.404 8.827 17.561 -99.200 -91.000 PHE 131 1.000 32.161 14.379 3.905 -99.200 -91.000 TYR 132 0.840 36.257 12.052 4.345 -99.200 -91.000 TRP 135 1.040 35.789 18.685 7.816 -99.200 -91.000 TRP6 135 1.020 37.998 18.270 8.538 -99.200 -91.000 TRP 139 1.040 36.938 22.987 17.136 -99.200 -91.000 TRP6 139 1.020 35.714 20.963 17.242 -99.200 -91.000 TYR 147 0.840 30.236 8.597 17.816 -99.200 -91.000 PHE 155 1.000 42.311 3.767 12.102 -99.200 -91.000 PHE 167 1.000 36.431 -2.066 7.451 -99.200 -91.000 PHE 176 1.000 33.692 -9.884 11.307 -99.200 -91.000 HIS 183 0.900 26.870 -18.655 13.089 -99.200 -91.000 TRP 185 1.040 26.601 -12.911 9.232 -99.200 -91.000 TRP6 185 1.020 27.874 -14.499 8.031 -99.200 -91.000 TYR 196 0.840 19.482 -7.994 9.418 -99.200 -91.000 TRP 198 1.040 12.085 -7.655 9.870 -99.200 -91.000 TRP6 198 1.020 12.587 -6.206 8.062 -99.200 -91.000 TYR 200 0.840 9.947 -4.421 15.228 -99.200 -91.000 HIS 207 0.900 16.462 -5.768 8.541 -99.200 -91.000 TYR 218 0.840 26.479 3.485 9.313 -99.200 -91.000 TRP 230 1.040 34.128 -7.472 19.847 -99.200 -91.000 TRP6 230 1.020 36.167 -7.520 18.643 -99.200 -91.000 TYR 256 0.840 45.835 5.238 21.108 -99.200 -91.000 TRP 257 1.040 43.406 11.636 21.410 -99.200 -91.000 TRP6 257 1.020 44.724 13.580 20.998 -99.200 -91.000 TYR 263 0.840 41.831 7.965 31.076 -99.200 -91.000 TRP 268 1.040 37.309 -2.079 22.511 -99.200 -91.000 TRP6 268 1.020 35.137 -2.845 23.102 -99.200 -91.000 TRP 273 1.040 35.828 -1.655 38.584 -99.200 -91.000 TRP6 273 1.020 33.508 -1.216 38.305 -99.200 -91.000 TRP 306 1.040 32.139 0.855 32.118 -99.200 -91.000 TRP6 306 1.020 30.696 -0.552 33.356 -99.200 -91.000 HIS 308 0.900 31.485 3.071 28.138 -99.200 -91.000 PHE 315 1.000 18.301 -4.212 14.980 -99.200 -91.000 TYR 318 0.840 26.878 -0.068 27.715 -99.200 -91.000 PHE 321 1.000 36.276 -5.164 27.433 -99.200 -91.000 TYR 337 0.840 17.597 0.170 25.540 -99.200 -91.000 TRP 347 1.040 28.121 0.687 37.992 -99.200 -91.000 TRP6 347 1.020 27.090 0.603 40.098 -99.200 -91.000