============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. TYR 1 0.840 2.204 -18.918 29.912 -99.200 -91.000 TYR 6 0.840 6.414 -14.145 25.607 -99.200 -91.000 TYR 43 0.840 2.711 -22.947 23.796 -99.200 -91.000 PHE 48 1.000 8.278 -30.752 24.219 -99.200 -91.000 TYR 50 0.840 3.835 -36.407 15.360 -99.200 -91.000 TYR 54 0.840 6.893 -38.069 27.828 -99.200 -91.000 PHE 66 1.000 9.285 -34.434 30.286 -99.200 -91.000 TYR 82 0.840 20.336 -44.850 29.899 -99.200 -91.000 PHE 108 1.000 16.923 -42.013 26.327 -99.200 -91.000 PHE 115 1.000 14.175 -37.136 20.833 -99.200 -91.000 PHE 118 1.000 20.666 -27.445 16.524 -99.200 -91.000 TYR 131 0.840 16.637 -11.707 29.119 -99.200 -91.000 TYR 133 0.840 6.999 -16.182 30.847 -99.200 -91.000 PHE 137 1.000 12.537 -21.349 19.466 -99.200 -91.000