============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 6 0.840 6.193 -2.225 -1.065 -99.200 -91.000 PHE 9 1.000 13.730 0.343 3.429 -99.200 -91.000 PHE 31 1.000 10.253 8.861 4.486 -99.200 -91.000 PHE 34 1.000 2.794 0.490 4.119 -99.200 -91.000 TYR 40 0.840 11.281 -13.700 4.440 -99.200 -91.000 TRP 41 1.040 8.811 -21.281 0.864 -99.200 -91.000 TRP6 41 1.020 8.922 -23.401 1.913 -99.200 -91.000 TRP 42 1.040 16.721 -17.256 5.853 -99.200 -91.000 TRP6 42 1.020 17.956 -16.364 4.048 -99.200 -91.000 TRP 52 1.040 8.487 -0.185 10.476 -99.200 -91.000 TRP6 52 1.020 7.129 1.726 10.642 -99.200 -91.000 PHE 56 1.000 11.924 4.797 -0.365 -99.200 -91.000 TYR 67 0.840 14.549 0.345 -9.345 -99.200 -91.000 HIS 74 0.900 17.107 -2.585 1.436 -99.200 -91.000 TYR 76 0.840 15.996 -6.645 4.335 -99.200 -91.000 PHE 82 1.000 7.403 -4.131 -5.566 -99.200 -91.000 TYR 93 0.840 1.631 14.975 -4.515 -99.200 -91.000 TRP 95 1.040 5.680 19.845 -3.253 -99.200 -91.000 TRP6 95 1.020 5.952 17.618 -2.564 -99.200 -91.000