============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. TYR 13 0.840 -44.437 -5.611 17.940 -99.200 -91.000 TYR 16 0.840 -39.120 -10.095 3.950 -99.200 -91.000 TYR 24 0.840 -28.494 -17.112 1.196 -99.200 -91.000 PHE 29 1.000 -37.950 -13.268 7.903 -99.200 -91.000 TYR 32 0.840 -39.763 -6.860 21.827 -99.200 -91.000 PHE 46 1.000 -35.885 -22.134 20.698 -99.200 -91.000 TYR 48 0.840 -34.345 -19.082 15.866 -99.200 -91.000 TYR 58 0.840 -51.181 -10.036 14.188 -99.200 -91.000 TRP 67 1.040 -59.533 -21.343 15.974 -99.200 -91.000 TRP6 67 1.020 -59.222 -19.298 17.099 -99.200 -91.000 HIS 77 0.900 -50.005 -30.553 16.541 -99.200 -91.000 TYR 90 0.840 -63.090 -17.677 27.459 -99.200 -91.000 PHE 98 1.000 -51.774 -17.100 23.389 -99.200 -91.000 PHE 102 1.000 -43.729 -11.036 23.438 -99.200 -91.000 TYR 111 0.840 -56.000 16.336 20.956 -99.200 -91.000 TYR 131 0.840 -64.660 10.991 21.305 -99.200 -91.000 PHE 142 1.000 -62.316 -1.345 25.869 -99.200 -91.000 PHE 143 1.000 -63.113 3.195 23.170 -99.200 -91.000 TYR 151 0.840 -63.554 3.359 28.662 -99.200 -91.000 TRP 155 1.040 -70.254 1.820 19.871 -99.200 -91.000 TRP6 155 1.020 -68.904 1.458 17.973 -99.200 -91.000 PHE 157 1.000 -67.945 12.498 19.010 -99.200 -91.000 TYR 182 0.840 -59.514 11.320 14.516 -99.200 -91.000 TYR 193 0.840 -42.362 2.222 15.577 -99.200 -91.000 TYR 213 0.840 -48.596 -7.473 21.587 -99.200 -91.000 TYR 223 0.840 -39.766 -26.908 22.688 -99.200 -91.000 HIS 241 0.900 -35.876 0.026 29.692 -99.200 -91.000 TRP 247 1.040 -35.916 -3.855 17.700 -99.200 -91.000 TRP6 247 1.020 -35.221 -3.690 15.434 -99.200 -91.000 TRP 248 1.040 -42.117 0.803 20.701 -99.200 -91.000 TRP6 248 1.020 -41.882 -1.519 20.317 -99.200 -91.000