============================================================================= 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 4 1.000 22.408 -27.856 61.381 -99.200 -91.000 TYR 18 0.840 16.512 -31.819 44.222 -99.200 -91.000 TYR 24 0.840 21.120 -23.288 37.934 -99.200 -91.000 TYR 25 0.840 21.525 -32.179 36.455 -99.200 -91.000 HIS 31 0.900 26.774 -29.899 48.279 -99.200 -91.000 PHE 67 1.000 21.017 -29.084 56.422 -99.200 -91.000 TYR 88 0.840 24.492 -14.312 63.131 -99.200 -91.000 PHE 103 1.000 22.337 -24.409 52.886 -99.200 -91.000 PHE 113 1.000 20.717 -8.410 46.737 -99.200 -91.000 TRP 125 1.040 11.893 -5.472 61.759 -99.200 -91.000 TRP6 125 1.020 14.201 -5.997 61.894 -99.200 -91.000 TRP 137 1.040 17.558 -16.227 47.540 -99.200 -91.000 TRP6 137 1.020 16.598 -15.196 49.460 -99.200 -91.000 TYR 138 0.840 10.085 -13.773 46.058 -99.200 -91.000 PHE 152 1.000 16.270 -11.840 56.754 -99.200 -91.000 TRP 157 1.040 11.601 -19.804 65.196 -99.200 -91.000 TRP6 157 1.020 13.105 -20.305 63.447 -99.200 -91.000 TYR 160 0.840 11.007 -21.359 58.033 -99.200 -91.000