============================================================================= 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 22.903 0.994 1.816 -99.200 -91.000 TRP6 9 1.020 22.669 -0.687 3.422 -99.200 -91.000 TYR 10 0.840 25.759 -3.337 -4.378 -99.200 -91.000 PHE 17 1.000 19.992 2.960 -1.459 -99.200 -91.000 TYR 31 0.840 17.335 3.113 -6.899 -99.200 -91.000 TYR 42 0.840 16.959 7.949 -13.300 -99.200 -91.000 TYR 48 0.840 19.835 9.719 9.426 -99.200 -91.000 TRP 63 1.040 15.340 6.012 -1.372 -99.200 -91.000 TRP6 63 1.020 15.677 4.269 0.170 -99.200 -91.000 TRP 67 1.040 11.468 6.672 -11.121 -99.200 -91.000 TRP6 67 1.020 13.434 5.515 -10.572 -99.200 -91.000 TYR 71 0.840 22.217 10.380 -20.836 -99.200 -91.000 HIS 75 0.900 6.817 12.320 -18.869 -99.200 -91.000 TRP 80 1.040 12.541 2.250 -2.740 -99.200 -91.000 TRP6 80 1.020 13.003 3.752 -4.512 -99.200 -91.000 TYR 84 0.840 21.298 0.733 9.143 -99.200 -91.000 TRP 96 1.040 8.946 -0.758 -4.444 -99.200 -91.000 TRP6 96 1.020 7.383 -0.684 -6.202 -99.200 -91.000 TRP 108 1.040 -8.931 4.261 -12.340 -99.200 -91.000 TRP6 108 1.020 -8.586 1.959 -12.144 -99.200 -91.000 HIS 115 0.900 8.088 -7.108 -1.604 -99.200 -91.000 PHE 118 1.000 17.168 -0.961 -1.886 -99.200 -91.000