============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. TYR 3 0.840 0.372 54.154 17.193 -99.200 -91.000 TRP 5 1.040 3.625 50.732 11.680 -99.200 -91.000 TRP6 5 1.020 5.743 50.666 12.742 -99.200 -91.000 TRP 11 1.040 12.881 35.435 4.478 -99.200 -91.000 TRP6 11 1.020 14.663 34.470 3.241 -99.200 -91.000 TYR 18 0.840 5.100 35.039 4.749 -99.200 -91.000 PHE 21 1.000 7.725 39.558 7.745 -99.200 -91.000 PHE 24 1.000 9.596 41.125 14.050 -99.200 -91.000 PHE 41 1.000 0.064 42.438 3.549 -99.200 -91.000 PHE 50 1.000 14.906 43.070 -7.087 -99.200 -91.000 PHE 53 1.000 14.654 53.230 -1.165 -99.200 -91.000 PHE 67 1.000 17.404 38.564 1.423 -99.200 -91.000 TYR 70 0.840 17.064 42.166 -2.757 -99.200 -91.000 TRP 71 1.040 16.836 48.978 -0.391 -99.200 -91.000 TRP6 71 1.020 15.185 47.999 -1.776 -99.200 -91.000 PHE 80 1.000 30.995 49.795 0.592 -99.200 -91.000 TYR 84 0.840 32.254 44.814 1.612 -99.200 -91.000 TRP 94 1.040 29.201 41.793 8.003 -99.200 -91.000 TRP6 94 1.020 28.959 43.829 6.823 -99.200 -91.000 TRP 97 1.040 31.120 48.711 10.489 -99.200 -91.000 TRP6 97 1.020 29.188 49.288 9.247 -99.200 -91.000 PHE 98 1.000 24.787 47.188 10.254 -99.200 -91.000 TYR 99 0.840 23.121 46.462 16.696 -99.200 -91.000 PHE 111 1.000 18.266 52.470 4.445 -99.200 -91.000 PHE 117 1.000 14.404 54.596 12.956 -99.200 -91.000 TYR 118 0.840 19.476 49.678 8.735 -99.200 -91.000 HIS 124 0.900 19.647 35.075 4.912 -99.200 -91.000 HIS 130 0.900 21.191 26.039 -5.464 -99.200 -91.000 PHE 138 1.000 38.934 33.873 -11.505 -99.200 -91.000 PHE 141 1.000 32.410 31.244 -10.776 -99.200 -91.000 PHE 157 1.000 29.894 35.649 -8.324 -99.200 -91.000 TYR 173 0.840 11.486 25.343 -10.442 -99.200 -91.000 PHE 186 1.000 16.701 34.134 -3.070 -99.200 -91.000 TYR 193 0.840 14.953 20.305 -0.974 -99.200 -91.000 PHE 197 1.000 16.685 28.463 -6.264 -99.200 -91.000 HIS 198 0.900 15.100 20.367 -4.732 -99.200 -91.000 TYR 203 0.840 26.737 19.575 -11.962 -99.200 -91.000 HIS 215 0.900 28.177 34.517 -3.516 -99.200 -91.000 PHE 223 1.000 11.528 43.521 10.359 -99.200 -91.000 TRP 230 1.040 11.069 55.446 13.953 -99.200 -91.000 TRP6 230 1.020 10.979 53.242 14.821 -99.200 -91.000 PHE 241 1.000 9.276 47.182 14.592 -99.200 -91.000 HIS 246 0.900 20.433 43.912 18.409 -99.200 -91.000 TYR 248 0.840 12.557 38.075 12.667 -99.200 -91.000 TRP 250 1.040 21.684 38.026 16.908 -99.200 -91.000 TRP6 250 1.020 23.498 37.018 15.744 -99.200 -91.000 HIS 252 0.900 15.756 35.637 9.277 -99.200 -91.000 TYR 253 0.840 23.089 32.997 12.177 -99.200 -91.000 TRP 264 1.040 24.182 21.845 3.838 -99.200 -91.000 TRP6 264 1.020 24.788 22.550 1.661 -99.200 -91.000 TYR 267 0.840 20.192 21.606 -1.798 -99.200 -91.000 PHE 285 1.000 35.557 34.388 -7.865 -99.200 -91.000 TRP 293 1.040 36.163 44.653 -1.002 -99.200 -91.000 TRP6 293 1.020 37.774 44.027 0.607 -99.200 -91.000 PHE 294 1.000 40.477 50.538 -1.184 -99.200 -91.000 TRP 296 1.040 30.319 49.099 -6.228 -99.200 -91.000 TRP6 296 1.020 27.985 49.516 -6.236 -99.200 -91.000 TYR 302 0.840 24.921 59.293 4.222 -99.200 -91.000 PHE 307 1.000 36.544 50.006 1.890 -99.200 -91.000 TYR 313 0.840 35.509 44.765 12.998 -99.200 -91.000 TYR 319 0.840 38.430 38.733 8.357 -99.200 -91.000