============================================================================= 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 5 0.840 60.112 -1.267 18.325 -99.200 -91.000 TYR 14 0.840 55.422 11.133 21.343 -99.200 -91.000 TYR 22 0.840 50.533 2.486 41.839 -99.200 -91.000 HIS 23 0.900 53.430 3.445 34.085 -99.200 -91.000 PHE 24 1.000 48.084 6.557 37.796 -99.200 -91.000 TRP 34 1.040 47.334 22.887 29.504 -99.200 -91.000 TRP6 34 1.020 45.385 22.391 30.696 -99.200 -91.000 HIS 40 0.900 40.974 3.631 31.200 -99.200 -91.000 TYR 42 0.840 40.268 12.133 38.765 -99.200 -91.000 PHE 64 1.000 60.682 11.830 38.966 -99.200 -91.000 HIS 73 0.900 34.221 14.966 26.759 -99.200 -91.000 TYR 76 0.840 35.260 8.128 31.733 -99.200 -91.000 TRP 121 1.040 57.965 2.823 30.955 -99.200 -91.000 TRP6 121 1.020 57.387 5.025 30.435 -99.200 -91.000 TYR 131 0.840 52.601 -4.774 34.800 -99.200 -91.000 TYR 152 0.840 36.864 -5.366 20.711 -99.200 -91.000 PHE 161 1.000 42.512 4.957 16.532 -99.200 -91.000 TYR 165 0.840 50.230 -5.925 14.000 -99.200 -91.000 TRP 193 1.040 37.615 0.088 25.017 -99.200 -91.000 TRP6 193 1.020 36.519 -1.757 24.099 -99.200 -91.000 TYR 206 0.840 44.822 1.688 20.445 -99.200 -91.000 TYR 212 0.840 37.017 13.203 22.158 -99.200 -91.000 TRP 215 1.040 36.400 19.225 25.789 -99.200 -91.000 TRP6 215 1.020 37.970 17.865 26.884 -99.200 -91.000