============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TYR 10 0.840 23.893 38.681 57.779 -99.200 -91.000 TRP 14 1.040 28.761 37.036 42.900 -99.200 -91.000 TRP6 14 1.020 30.726 38.279 42.491 -99.200 -91.000 PHE 19 1.000 29.523 40.690 30.054 -99.200 -91.000 TRP 25 1.040 29.201 43.266 52.788 -99.200 -91.000 TRP6 25 1.020 30.291 44.297 50.955 -99.200 -91.000 TYR 34 0.840 31.492 44.964 56.308 -99.200 -91.000 TRP 45 1.040 41.710 34.701 47.902 -99.200 -91.000 TRP6 45 1.020 39.405 34.924 47.396 -99.200 -91.000 PHE 50 1.000 42.830 47.925 49.771 -99.200 -91.000 TYR 51 0.840 41.778 48.224 55.730 -99.200 -91.000 TYR 71 0.840 36.490 36.742 37.390 -99.200 -91.000 PHE 76 1.000 39.817 38.801 54.385 -99.200 -91.000 TYR 78 0.840 40.567 43.621 58.215 -99.200 -91.000 TYR 90 0.840 37.988 34.112 55.429 -99.200 -91.000 PHE 96 1.000 28.947 37.239 38.060 -99.200 -91.000 TYR 99 0.840 30.082 34.426 26.796 -99.200 -91.000 PHE 112 1.000 9.273 53.500 13.058 -99.200 -91.000 PHE 136 1.000 35.790 51.405 27.936 -99.200 -91.000 PHE 143 1.000 26.623 38.080 26.079 -99.200 -91.000 TYR 149 0.840 19.232 42.233 20.314 -99.200 -91.000 TYR 152 0.840 8.052 38.899 21.032 -99.200 -91.000 TYR 153 0.840 6.295 41.331 12.332 -99.200 -91.000 TRP 154 1.040 1.081 44.979 18.268 -99.200 -91.000 TRP6 154 1.020 3.136 44.775 19.428 -99.200 -91.000 PHE 169 1.000 14.727 41.780 14.698 -99.200 -91.000 TYR 179 0.840 2.443 45.933 10.431 -99.200 -91.000 PHE 181 1.000 7.577 47.387 13.878 -99.200 -91.000