============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 3 0.840 16.563 22.715 6.390 -99.200 -91.000 PHE 4 1.000 14.073 25.436 11.409 -99.200 -91.000 TYR 10 0.840 25.273 20.311 0.934 -99.200 -91.000 TRP 13 1.040 28.323 15.937 -3.801 -99.200 -91.000 TRP6 13 1.020 30.338 16.434 -2.661 -99.200 -91.000 TYR 17 0.840 34.501 14.300 -4.242 -99.200 -91.000 TYR 20 0.840 33.181 9.003 -10.442 -99.200 -91.000 TYR 35 0.840 40.823 -3.770 -9.224 -99.200 -91.000 PHE 36 1.000 42.868 1.621 -3.987 -99.200 -91.000 PHE 58 1.000 35.742 17.302 4.972 -99.200 -91.000 TYR 60 0.840 31.836 11.602 5.236 -99.200 -91.000 PHE 64 1.000 39.635 2.610 0.568 -99.200 -91.000 TRP 66 1.040 45.077 -3.797 -0.441 -99.200 -91.000 TRP6 66 1.020 46.669 -5.018 -1.715 -99.200 -91.000 TYR 68 0.840 47.436 -8.678 -6.540 -99.200 -91.000 TYR 77 0.840 45.741 -12.995 -8.793 -99.200 -91.000 PHE 78 1.000 40.199 -9.013 -0.544 -99.200 -91.000 PHE 87 1.000 38.828 12.964 3.264 -99.200 -91.000 PHE 90 1.000 38.243 19.680 12.998 -99.200 -91.000 TYR 97 0.840 43.707 11.850 4.624 -99.200 -91.000 PHE 112 1.000 57.332 -6.907 -5.685 -99.200 -91.000 TYR 114 0.840 51.992 -2.534 3.433 -99.200 -91.000 PHE 133 1.000 34.493 15.472 1.047 -99.200 -91.000 HIS 140 0.900 26.020 18.793 -3.601 -99.200 -91.000