============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TRP 22 1.040 -20.002 38.468 80.113 -99.200 -91.000 TRP6 22 1.020 -18.989 36.357 80.445 -99.200 -91.000 PHE 33 1.000 -26.676 38.477 95.574 -99.200 -91.000 TYR 40 0.840 -16.433 44.626 78.535 -99.200 -91.000 TYR 41 0.840 -8.606 43.806 78.418 -99.200 -91.000 TYR 66 0.840 -5.012 43.462 86.427 -99.200 -91.000 TYR 85 0.840 -21.518 39.656 63.198 -99.200 -91.000 TRP 91 1.040 -10.959 39.359 62.245 -99.200 -91.000 TRP6 91 1.020 -8.965 40.517 61.749 -99.200 -91.000 PHE 107 1.000 -6.359 19.994 84.317 -99.200 -91.000 TRP 123 1.040 -19.340 7.253 80.615 -99.200 -91.000 TRP6 123 1.020 -19.250 9.202 79.277 -99.200 -91.000 HIS 132 0.900 0.373 20.113 75.225 -99.200 -91.000 TYR 134 0.840 2.708 26.002 72.605 -99.200 -91.000 PHE 137 1.000 -5.936 20.707 63.981 -99.200 -91.000 TYR 138 0.840 -6.267 22.959 68.122 -99.200 -91.000 PHE 144 1.000 -4.458 22.560 46.027 -99.200 -91.000 HIS 180 0.900 5.539 24.107 67.478 -99.200 -91.000 HIS 188 0.900 6.051 23.715 81.793 -99.200 -91.000 PHE 189 1.000 -1.005 16.929 78.094 -99.200 -91.000 PHE 194 1.000 1.902 12.218 85.279 -99.200 -91.000 TYR 196 0.840 -8.219 18.032 87.618 -99.200 -91.000 TRP 205 1.040 -7.601 5.698 82.810 -99.200 -91.000 TRP6 205 1.020 -9.328 4.581 81.678 -99.200 -91.000 PHE 206 1.000 -0.661 11.382 76.896 -99.200 -91.000 TYR 216 0.840 4.255 15.807 66.956 -99.200 -91.000 PHE 220 1.000 2.539 15.065 72.718 -99.200 -91.000 PHE 224 1.000 1.503 12.797 79.828 -99.200 -91.000 PHE 228 1.000 3.133 7.677 87.623 -99.200 -91.000 TYR 232 0.840 3.947 14.515 89.595 -99.200 -91.000 PHE 236 1.000 -0.575 9.694 89.985 -99.200 -91.000 TYR 243 0.840 0.650 7.711 82.990 -99.200 -91.000 PHE 244 1.000 -4.815 1.929 80.786 -99.200 -91.000 TYR 245 0.840 0.919 5.721 76.362 -99.200 -91.000 TRP 264 1.040 -9.093 10.449 77.570 -99.200 -91.000 TRP6 264 1.020 -11.119 10.312 76.339 -99.200 -91.000 TYR 269 0.840 -8.378 16.408 66.027 -99.200 -91.000 PHE 282 1.000 -20.447 12.527 82.514 -99.200 -91.000 TYR 296 0.840 5.182 29.673 81.331 -99.200 -91.000 TYR 298 0.840 0.548 33.873 83.194 -99.200 -91.000 PHE 299 1.000 -4.938 29.103 88.177 -99.200 -91.000 TYR 301 0.840 -11.249 29.420 86.486 -99.200 -91.000 HIS 305 0.900 -21.798 27.492 75.792 -99.200 -91.000 HIS 311 0.900 -31.487 29.098 71.656 -99.200 -91.000 TYR 312 0.840 -27.260 38.324 68.660 -99.200 -91.000 TYR 313 0.840 -29.546 35.897 62.927 -99.200 -91.000 HIS 315 0.900 -32.196 38.919 73.585 -99.200 -91.000 TYR 330 0.840 -21.263 25.339 87.904 -99.200 -91.000 TRP 332 1.040 -19.295 35.801 84.656 -99.200 -91.000 TRP6 332 1.020 -18.108 37.775 85.226 -99.200 -91.000 PHE 351 1.000 -22.259 35.172 95.318 -99.200 -91.000 TYR 367 0.840 -39.346 24.863 89.949 -99.200 -91.000 PHE 389 1.000 -31.350 27.901 85.217 -99.200 -91.000