============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 3 1.000 28.816 -23.016 -3.844 -99.200 -91.000 PHE 32 1.000 45.512 -12.621 -23.129 -99.200 -91.000 TYR 41 0.840 52.463 -13.658 -28.795 -99.200 -91.000 TYR 52 0.840 46.292 -28.141 -10.418 -99.200 -91.000 PHE 79 1.000 37.164 -15.845 -30.473 -99.200 -91.000 PHE 80 1.000 40.358 -23.924 -27.667 -99.200 -91.000 TYR 81 0.840 47.457 -20.286 -27.875 -99.200 -91.000 PHE 82 1.000 46.434 -15.234 -29.162 -99.200 -91.000 PHE 83 1.000 36.215 -16.801 -25.119 -99.200 -91.000 HIS 85 0.900 47.035 -19.852 -23.297 -99.200 -91.000 PHE 86 1.000 40.575 -11.648 -20.912 -99.200 -91.000 PHE 88 1.000 43.227 -22.032 -19.291 -99.200 -91.000 TYR 89 0.840 46.034 -11.413 -17.965 -99.200 -91.000 TYR 97 0.840 44.534 -10.477 -4.320 -99.200 -91.000 PHE 101 1.000 37.929 -16.703 -10.420 -99.200 -91.000 PHE 105 1.000 25.570 -20.977 -22.048 -99.200 -91.000 PHE 107 1.000 29.388 -11.316 -21.042 -99.200 -91.000 TYR 108 0.840 32.661 -17.979 -20.818 -99.200 -91.000 TYR 111 0.840 32.582 -15.035 -29.464 -99.200 -91.000 PHE 123 1.000 31.997 -23.420 -14.836 -99.200 -91.000 TYR 125 0.840 43.804 -23.060 -14.775 -99.200 -91.000 TYR 127 0.840 36.139 -30.903 -9.820 -99.200 -91.000 TYR 149 0.840 18.904 -24.975 -19.765 -99.200 -91.000 PHE 152 1.000 26.538 -26.419 -20.266 -99.200 -91.000 PHE 154 1.000 24.163 -27.686 -10.642 -99.200 -91.000 TYR 156 0.840 30.639 -30.864 -21.063 -99.200 -91.000 TYR 167 0.840 6.656 -14.440 -14.092 -99.200 -91.000 TYR 178 0.840 16.184 -35.222 -5.056 -99.200 -91.000 TYR 185 0.840 19.980 -34.220 -1.938 -99.200 -91.000 TYR 186 0.840 23.794 -31.546 -8.733 -99.200 -91.000 PHE 189 1.000 24.214 -18.026 -4.988 -99.200 -91.000 PHE 202 1.000 7.075 -7.111 -15.578 -99.200 -91.000 TYR 214 0.840 11.920 -7.201 -2.516 -99.200 -91.000 TYR 227 0.840 7.104 -27.774 0.080 -99.200 -91.000 PHE 236 1.000 24.056 -21.790 -1.119 -99.200 -91.000 PHE 239 1.000 16.611 -15.457 -0.838 -99.200 -91.000 TYR 246 0.840 22.553 0.900 -2.213 -99.200 -91.000 TYR 251 0.840 11.367 -7.317 3.682 -99.200 -91.000 TYR 255 0.840 11.525 -8.332 7.922 -99.200 -91.000 PHE 256 1.000 13.204 -14.280 3.242 -99.200 -91.000 TYR 260 0.840 24.638 -19.992 2.262 -99.200 -91.000 HIS 274 0.900 30.915 1.261 4.493 -99.200 -91.000 TYR 281 0.840 28.878 -8.478 8.897 -99.200 -91.000 HIS 282 0.900 25.147 -14.623 8.590 -99.200 -91.000 TYR 285 0.840 34.026 -13.106 5.865 -99.200 -91.000 TYR 301 0.840 49.348 -3.496 -15.637 -99.200 -91.000 TYR 309 0.840 36.492 -3.589 -6.903 -99.200 -91.000 TYR 310 0.840 41.922 -10.503 -0.063 -99.200 -91.000