============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 16 0.840 -11.552 54.993 95.488 -99.200 -91.000 TYR 19 0.840 -14.101 60.886 109.577 -99.200 -91.000 TYR 27 0.840 -7.065 69.305 116.342 -99.200 -91.000 PHE 32 1.000 -11.277 64.357 106.017 -99.200 -91.000 TYR 35 0.840 -6.077 56.145 94.020 -99.200 -91.000 PHE 49 1.000 -3.808 71.845 93.884 -99.200 -91.000 TYR 51 0.840 -4.283 69.404 99.548 -99.200 -91.000 TYR 61 0.840 -19.655 58.908 95.383 -99.200 -91.000 TRP 70 1.040 -26.851 67.813 87.584 -99.200 -91.000 TRP6 70 1.020 -26.119 65.576 87.434 -99.200 -91.000 HIS 80 0.900 -17.956 78.830 89.621 -99.200 -91.000 TYR 93 0.840 -23.885 62.944 76.331 -99.200 -91.000 PHE 101 1.000 -16.718 64.214 85.242 -99.200 -91.000 PHE 105 1.000 -8.997 59.343 89.913 -99.200 -91.000 TYR 114 0.840 -26.264 36.942 96.762 -99.200 -91.000 TYR 134 0.840 -32.304 43.019 92.270 -99.200 -91.000 PHE 145 1.000 -25.944 50.678 83.540 -99.200 -91.000 PHE 146 1.000 -28.652 48.503 87.513 -99.200 -91.000 TYR 154 0.840 -28.336 45.682 82.605 -99.200 -91.000 TRP 158 1.040 -35.393 52.539 88.158 -99.200 -91.000 TRP6 158 1.020 -34.098 53.364 89.946 -99.200 -91.000 PHE 160 1.000 -36.813 43.002 93.733 -99.200 -91.000 TYR 185 0.840 -28.988 45.035 99.404 -99.200 -91.000 TYR 196 0.840 -11.109 48.566 100.740 -99.200 -91.000 TYR 216 0.840 -13.987 55.582 90.217 -99.200 -91.000 TYR 226 0.840 -6.611 75.347 89.538 -99.200 -91.000 HIS 244 0.900 1.611 48.897 90.004 -99.200 -91.000 TRP 250 1.040 -4.195 54.339 99.635 -99.200 -91.000 TRP6 250 1.020 -4.540 54.590 101.956 -99.200 -91.000 TRP 251 1.040 -8.383 48.533 95.568 -99.200 -91.000 TRP6 251 1.020 -8.273 50.889 95.419 -99.200 -91.000