============================================================================= 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. PHE 5 1.000 -14.511 -41.168 15.199 -99.200 -91.000 PHE 17 1.000 -12.834 -33.378 18.328 -99.200 -91.000 TRP 32 1.040 -7.247 -32.779 23.454 -99.200 -91.000 TRP6 32 1.020 -8.402 -34.099 21.849 -99.200 -91.000 TYR 40 0.840 -0.858 -27.597 26.843 -99.200 -91.000 HIS 56 0.900 -6.014 -18.876 19.700 -99.200 -91.000 TYR 59 0.840 -10.334 -23.965 19.722 -99.200 -91.000 TYR 60 0.840 -12.850 -17.168 28.420 -99.200 -91.000 HIS 64 0.900 -17.370 -27.571 28.122 -99.200 -91.000 TYR 70 0.840 -7.660 -38.455 30.875 -99.200 -91.000 TYR 85 0.840 -10.294 -29.301 16.299 -99.200 -91.000 TYR 96 0.840 8.146 -44.020 26.618 -99.200 -91.000 TYR 102 0.840 -9.885 -37.332 17.557 -99.200 -91.000 TYR 107 0.840 -21.986 -31.375 7.726 -99.200 -91.000