============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TYR 10 0.840 0.431 -70.938 -54.383 -99.200 -91.000 HIS 16 0.900 4.083 -82.970 -55.045 -99.200 -91.000 TYR 21 0.840 12.318 -74.464 -53.036 -99.200 -91.000 TRP 22 1.040 11.902 -79.660 -48.847 -99.200 -91.000 TRP6 22 1.020 12.735 -81.061 -47.154 -99.200 -91.000 TYR 24 0.840 15.885 -74.307 -42.428 -99.200 -91.000 HIS 27 0.900 22.472 -72.873 -49.155 -99.200 -91.000 TRP 31 1.040 31.215 -68.844 -46.784 -99.200 -91.000 TRP6 31 1.020 29.894 -67.653 -45.235 -99.200 -91.000 TYR 37 0.840 30.199 -56.549 -51.248 -99.200 -91.000 TYR 48 0.840 16.009 -62.055 -34.119 -99.200 -91.000 PHE 52 1.000 26.890 -51.598 -40.305 -99.200 -91.000 PHE 111 1.000 19.653 -58.499 -48.115 -99.200 -91.000 HIS 113 0.900 20.649 -47.718 -52.478 -99.200 -91.000 PHE 119 1.000 3.458 -48.953 -47.773 -99.200 -91.000 TYR 123 0.840 1.631 -47.203 -42.714 -99.200 -91.000 TYR 129 0.840 -3.739 -45.013 -59.367 -99.200 -91.000 PHE 133 1.000 1.921 -48.479 -58.388 -99.200 -91.000 TYR 134 0.840 3.623 -47.211 -53.694 -99.200 -91.000 TYR 136 0.840 -2.088 -56.017 -58.732 -99.200 -91.000 TYR 144 0.840 8.518 -65.679 -57.096 -99.200 -91.000 HIS 146 0.900 1.700 -66.165 -49.218 -99.200 -91.000 HIS 152 0.900 8.214 -61.198 -44.563 -99.200 -91.000 HIS 158 0.900 9.485 -49.488 -38.888 -99.200 -91.000 HIS 164 0.900 5.241 -41.921 -53.331 -99.200 -91.000 HIS 166 0.900 13.458 -43.404 -59.152 -99.200 -91.000 TRP 174 1.040 12.414 -61.842 -47.639 -99.200 -91.000 TRP6 174 1.020 10.387 -62.806 -48.342 -99.200 -91.000 PHE 179 1.000 12.270 -73.349 -47.342 -99.200 -91.000 TYR 180 0.840 1.707 -75.116 -45.450 -99.200 -91.000 HIS 181 0.900 8.403 -78.306 -45.138 -99.200 -91.000 TYR 186 0.840 5.327 -74.089 -39.928 -99.200 -91.000 TYR 194 0.840 1.166 -52.099 -32.105 -99.200 -91.000 PHE 195 1.000 1.582 -54.363 -38.479 -99.200 -91.000 TYR 204 0.840 -4.539 -74.307 -35.314 -99.200 -91.000 TYR 207 0.840 2.092 -70.084 -38.006 -99.200 -91.000 TYR 209 0.840 1.814 -71.078 -48.368 -99.200 -91.000 TRP 214 1.040 -4.445 -60.422 -38.570 -99.200 -91.000 TRP6 214 1.020 -6.772 -60.454 -38.129 -99.200 -91.000 PHE 225 1.000 -11.145 -48.246 -41.771 -99.200 -91.000 PHE 230 1.000 -8.756 -51.091 -37.682 -99.200 -91.000 PHE 231 1.000 -7.547 -55.309 -35.701 -99.200 -91.000 HIS 232 0.900 -1.843 -48.303 -29.925 -99.200 -91.000 HIS 234 0.900 -2.447 -53.902 -22.057 -99.200 -91.000 TYR 237 0.840 -1.427 -63.008 -22.604 -99.200 -91.000 TYR 253 0.840 -15.658 -67.216 -26.707 -99.200 -91.000 TYR 255 0.840 -9.370 -69.000 -35.593 -99.200 -91.000 TYR 259 0.840 -9.367 -74.077 -37.521 -99.200 -91.000 PHE 267 1.000 -6.890 -64.061 -24.300 -99.200 -91.000 HIS 274 0.900 -15.859 -56.481 -26.408 -99.200 -91.000 TRP 279 1.040 -15.219 -53.923 -42.062 -99.200 -91.000 TRP6 279 1.020 -13.290 -54.077 -40.711 -99.200 -91.000 PHE 282 1.000 -13.467 -49.470 -36.788 -99.200 -91.000 HIS 284 0.900 -11.566 -40.220 -39.242 -99.200 -91.000 HIS 289 0.900 -8.629 -38.635 -48.100 -99.200 -91.000 PHE 298 1.000 -7.926 -56.282 -50.644 -99.200 -91.000 TYR 305 0.840 -12.080 -63.185 -34.551 -99.200 -91.000 HIS 307 0.900 -6.130 -71.030 -39.754 -99.200 -91.000 HIS 319 0.900 -12.185 -56.809 -53.456 -99.200 -91.000 TYR 321 0.840 -8.383 -51.177 -52.427 -99.200 -91.000 PHE 322 1.000 -5.651 -54.659 -55.094 -99.200 -91.000 TYR 323 0.840 -12.549 -55.250 -60.955 -99.200 -91.000