============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TRP 8 1.040 -30.280 23.574 3.390 -99.200 -91.000 TRP6 8 1.020 -30.243 21.559 2.264 -99.200 -91.000 PHE 12 1.000 -30.088 28.355 -3.602 -99.200 -91.000 PHE 21 1.000 -26.385 21.114 -1.965 -99.200 -91.000 TYR 43 0.840 -32.803 23.010 -14.927 -99.200 -91.000 PHE 49 1.000 -23.077 12.662 -21.806 -99.200 -91.000 HIS 66 0.900 -1.761 4.741 -15.945 -99.200 -91.000 PHE 69 1.000 -8.059 11.183 -23.821 -99.200 -91.000 TRP 71 1.040 -3.086 21.254 -28.955 -99.200 -91.000 TRP6 71 1.020 -1.390 22.862 -28.888 -99.200 -91.000 TRP 81 1.040 -9.995 23.123 -22.653 -99.200 -91.000 TRP6 81 1.020 -11.941 23.711 -23.894 -99.200 -91.000 PHE 99 1.000 -14.164 13.663 -21.706 -99.200 -91.000 TYR 114 0.840 -22.134 1.120 -22.674 -99.200 -91.000 PHE 118 1.000 -23.716 4.262 -17.855 -99.200 -91.000 TYR 120 0.840 -26.539 11.391 -17.651 -99.200 -91.000 PHE 132 1.000 -25.049 13.160 -26.656 -99.200 -91.000 TRP 133 1.040 -21.735 17.024 -23.863 -99.200 -91.000 TRP6 133 1.020 -20.940 15.802 -25.722 -99.200 -91.000 PHE 148 1.000 -24.012 8.614 -13.918 -99.200 -91.000 TYR 153 0.840 -19.591 5.730 -2.195 -99.200 -91.000 TYR 179 0.840 -14.230 17.098 3.625 -99.200 -91.000 HIS 182 0.900 -14.154 10.538 -5.330 -99.200 -91.000 PHE 187 1.000 -21.167 29.065 -18.216 -99.200 -91.000 TRP 200 1.040 -25.820 20.864 -14.456 -99.200 -91.000 TRP6 200 1.020 -27.393 19.539 -13.293 -99.200 -91.000 TRP 201 1.040 -18.938 21.365 -7.470 -99.200 -91.000 TRP6 201 1.020 -18.821 21.585 -5.128 -99.200 -91.000 TRP 204 1.040 -18.497 10.327 -3.887 -99.200 -91.000 TRP6 204 1.020 -18.522 9.799 -6.157 -99.200 -91.000 TYR 212 0.840 -22.776 13.802 4.660 -99.200 -91.000 PHE 213 1.000 -23.850 9.071 -2.622 -99.200 -91.000 PHE 214 1.000 -21.524 17.876 -4.224 -99.200 -91.000 PHE 216 1.000 -26.084 25.401 -6.770 -99.200 -91.000