============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. TRP 9 1.040 13.558 51.345 64.152 -99.200 -91.000 TRP6 9 1.020 12.454 49.707 65.463 -99.200 -91.000 TYR 12 0.840 14.217 61.540 57.762 -99.200 -91.000 HIS 16 0.900 18.170 56.924 67.612 -99.200 -91.000 TYR 27 0.840 17.635 39.528 70.538 -99.200 -91.000 TYR 31 0.840 13.420 42.883 65.413 -99.200 -91.000 TYR 33 0.840 21.794 45.699 57.629 -99.200 -91.000 TYR 55 0.840 21.465 29.415 47.994 -99.200 -91.000 PHE 56 1.000 21.256 33.797 43.797 -99.200 -91.000 PHE 74 1.000 38.960 36.593 46.857 -99.200 -91.000 TYR 75 0.840 34.321 36.762 48.424 -99.200 -91.000 TRP 77 1.040 42.759 30.789 48.745 -99.200 -91.000 TRP6 77 1.020 43.202 33.054 49.232 -99.200 -91.000 PHE 87 1.000 38.549 37.826 61.803 -99.200 -91.000 TRP 88 1.040 34.742 32.135 67.692 -99.200 -91.000 TRP6 88 1.020 33.026 33.770 67.750 -99.200 -91.000 TYR 102 0.840 24.250 41.928 62.534 -99.200 -91.000 PHE 106 1.000 19.692 38.756 58.895 -99.200 -91.000 PHE 109 1.000 12.461 41.495 60.026 -99.200 -91.000 TRP 125 1.040 18.223 33.642 47.535 -99.200 -91.000 TRP6 125 1.020 17.899 35.874 48.261 -99.200 -91.000 PHE 150 1.000 45.999 42.455 42.668 -99.200 -91.000