============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 2 1.000 -24.801 19.098 -1.412 -99.200 -91.000 TYR 4 0.840 -20.862 20.537 -12.481 -99.200 -91.000 PHE 34 1.000 -5.632 20.085 -15.732 -99.200 -91.000 TYR 44 0.840 -20.266 24.862 -8.701 -99.200 -91.000 PHE 46 1.000 -20.885 22.300 1.176 -99.200 -91.000 PHE 53 1.000 -27.340 25.537 11.466 -99.200 -91.000 TYR 63 0.840 -20.714 16.505 8.119 -99.200 -91.000 HIS 80 0.900 -18.979 17.676 -17.658 -99.200 -91.000 PHE 81 1.000 -15.420 24.517 -18.190 -99.200 -91.000 PHE 82 1.000 -9.287 22.370 -17.783 -99.200 -91.000 PHE 86 1.000 -9.767 17.168 -13.246 -99.200 -91.000 PHE 101 1.000 -14.819 15.904 9.107 -99.200 -91.000 TRP 110 1.040 -20.331 31.755 12.247 -99.200 -91.000 TRP6 110 1.020 -18.486 32.926 13.153 -99.200 -91.000 TRP 116 1.040 -25.270 29.125 23.231 -99.200 -91.000 TRP6 116 1.020 -26.303 27.488 24.549 -99.200 -91.000 TRP 125 1.040 -34.392 26.822 19.410 -99.200 -91.000 TRP6 125 1.020 -32.049 26.659 19.689 -99.200 -91.000 TYR 131 0.840 -30.851 21.485 14.308 -99.200 -91.000 PHE 153 1.000 -4.422 30.501 17.149 -99.200 -91.000 TRP 155 1.040 -2.960 25.403 22.825 -99.200 -91.000 TRP6 155 1.020 -3.080 25.959 25.131 -99.200 -91.000 PHE 170 1.000 5.884 24.675 33.187 -99.200 -91.000 PHE 197 1.000 -14.888 40.927 21.253 -99.200 -91.000 TRP 203 1.040 -19.012 37.810 18.337 -99.200 -91.000 TRP6 203 1.020 -17.262 36.469 17.507 -99.200 -91.000 TYR 222 0.840 -6.894 33.592 13.793 -99.200 -91.000 PHE 240 1.000 -13.685 19.861 12.781 -99.200 -91.000 TYR 250 0.840 -0.791 7.737 18.819 -99.200 -91.000 TYR 254 0.840 2.751 16.331 22.959 -99.200 -91.000 PHE 274 1.000 -7.925 18.543 21.516 -99.200 -91.000 HIS 277 0.900 -16.397 16.797 15.856 -99.200 -91.000 PHE 287 1.000 -14.861 4.772 18.146 -99.200 -91.000 TYR 290 0.840 -8.216 9.652 19.659 -99.200 -91.000 TYR 296 0.840 -2.277 18.390 35.939 -99.200 -91.000 HIS 302 0.900 -9.265 15.518 32.702 -99.200 -91.000 TYR 309 0.840 -20.329 13.683 16.534 -99.200 -91.000 PHE 321 1.000 -20.994 23.830 19.327 -99.200 -91.000 PHE 322 1.000 -28.014 23.902 18.025 -99.200 -91.000 PHE 324 1.000 -19.242 21.035 24.846 -99.200 -91.000