============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 21 rings ring int. center anis. iso. TYR 27 0.840 32.228 18.509 96.794 -99.200 -91.000 PHE 29 1.000 38.726 17.344 98.249 -99.200 -91.000 TYR 32 0.840 32.023 19.345 91.590 -99.200 -91.000 TYR 35 0.840 36.967 28.684 91.941 -99.200 -91.000 TRP 36 1.040 41.185 27.899 99.681 -99.200 -91.000 TRP6 36 1.020 40.622 27.570 101.951 -99.200 -91.000 TRP 47 1.040 39.895 33.238 92.926 -99.200 -91.000 TRP6 47 1.020 41.702 33.141 91.416 -99.200 -91.000 PHE 51 1.000 45.094 21.272 95.842 -99.200 -91.000 TYR 52 0.840 40.648 19.140 88.909 -99.200 -91.000 TYR 60 0.840 48.837 30.072 94.961 -99.200 -91.000 PHE 64 1.000 45.043 38.013 98.246 -99.200 -91.000 TYR 80 0.840 44.493 20.383 105.461 -99.200 -91.000 TYR 93 0.840 41.851 35.075 105.422 -99.200 -91.000 TYR 94 0.840 32.985 33.691 103.829 -99.200 -91.000 TYR 102 0.840 36.474 19.431 83.664 -99.200 -91.000 TYR 104 0.840 39.991 27.619 86.188 -99.200 -91.000 PHE 107 1.000 34.031 31.861 93.301 -99.200 -91.000 TYR 109 0.840 25.831 23.911 96.749 -99.200 -91.000 TRP 110 1.040 30.122 30.954 98.189 -99.200 -91.000 TRP6 110 1.020 31.560 32.830 98.191 -99.200 -91.000