============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. PHE 2 1.000 60.212 -19.656 106.104 -99.200 -91.000 TYR 19 0.840 55.423 -16.125 82.839 -99.200 -91.000 PHE 28 1.000 49.479 -24.873 82.420 -99.200 -91.000 TYR 42 0.840 38.805 -23.573 84.124 -99.200 -91.000 PHE 43 1.000 35.699 -19.600 86.339 -99.200 -91.000 TYR 64 0.840 52.232 -17.592 97.654 -99.200 -91.000 TRP 68 1.040 53.125 -24.184 104.526 -99.200 -91.000 TRP6 68 1.020 50.800 -23.958 104.177 -99.200 -91.000 TYR 70 0.840 56.211 -20.820 94.681 -99.200 -91.000 TRP 75 1.040 52.716 -29.643 93.802 -99.200 -91.000 TRP6 75 1.020 52.919 -31.387 92.223 -99.200 -91.000 PHE 78 1.000 52.340 -27.796 88.071 -99.200 -91.000 TRP 82 1.040 48.182 -33.104 85.314 -99.200 -91.000 TRP6 82 1.020 49.521 -32.928 87.250 -99.200 -91.000 TYR 84 0.840 37.904 -27.705 81.485 -99.200 -91.000 TYR 92 0.840 46.624 -35.083 81.785 -99.200 -91.000 TYR 94 0.840 52.073 -27.484 75.618 -99.200 -91.000 PHE 102 1.000 57.049 -26.301 91.953 -99.200 -91.000