============================================================================= 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 3 1.000 0.808 2.142 109.792 -99.200 -91.000 TYR 20 0.840 13.227 -13.968 122.587 -99.200 -91.000 PHE 29 1.000 22.131 -11.686 117.310 -99.200 -91.000 TYR 43 0.840 28.594 -4.187 121.857 -99.200 -91.000 PHE 44 1.000 27.883 -0.213 125.662 -99.200 -91.000 TYR 65 0.840 9.550 -0.097 117.407 -99.200 -91.000 TRP 69 1.040 9.024 4.485 108.967 -99.200 -91.000 TRP6 69 1.020 10.795 5.543 110.117 -99.200 -91.000 TYR 71 0.840 9.543 -5.084 114.181 -99.200 -91.000 TRP 76 1.040 16.923 -4.594 108.135 -99.200 -91.000 TRP6 76 1.020 18.359 -6.151 107.091 -99.200 -91.000 PHE 79 1.000 18.886 -8.916 111.824 -99.200 -91.000 TRP 83 1.040 25.834 -9.261 109.769 -99.200 -91.000 TRP6 83 1.020 23.882 -8.412 108.744 -99.200 -91.000 TYR 85 0.840 32.494 -6.178 119.505 -99.200 -91.000 TYR 93 0.840 29.571 -11.444 109.779 -99.200 -91.000 TYR 95 0.840 24.635 -18.960 116.458 -99.200 -91.000 PHE 103 1.000 12.884 -8.270 110.087 -99.200 -91.000