============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 2 1.000 2.375 8.527 6.899 -99.200 -91.000 PHE 4 1.000 0.320 11.498 -2.340 -99.200 -91.000 TYR 7 0.840 6.240 6.676 -4.816 -99.200 -91.000 PHE 20 1.000 0.583 -2.246 -5.309 -99.200 -91.000 PHE 21 1.000 2.864 3.286 0.029 -99.200 -91.000 HIS 58 0.900 -8.165 4.945 17.560 -99.200 -91.000 PHE 61 1.000 -7.975 4.683 10.057 -99.200 -91.000 PHE 75 1.000 -14.474 -3.934 -5.902 -99.200 -91.000 PHE 84 1.000 1.880 -12.882 14.670 -99.200 -91.000 PHE 95 1.000 -2.389 -2.603 22.020 -99.200 -91.000 TYR 103 0.840 -7.854 0.330 14.526 -99.200 -91.000 PHE 108 1.000 -3.019 -14.541 16.890 -99.200 -91.000 PHE 112 1.000 8.329 -12.406 18.301 -99.200 -91.000 TYR 125 0.840 -3.122 -14.714 12.030 -99.200 -91.000 TYR 152 0.840 -2.617 -10.054 7.082 -99.200 -91.000 PHE 154 1.000 -5.072 -10.974 -3.834 -99.200 -91.000 PHE 155 1.000 -8.594 -3.956 -5.304 -99.200 -91.000 TRP 159 1.040 -9.556 -4.065 -15.427 -99.200 -91.000 TRP6 159 1.020 -8.640 -2.294 -14.159 -99.200 -91.000 PHE 163 1.000 -7.997 -3.564 -20.389 -99.200 -91.000 HIS 165 0.900 -10.065 -14.498 -23.728 -99.200 -91.000 PHE 173 1.000 7.438 -1.881 -18.595 -99.200 -91.000 TYR 174 0.840 11.415 0.004 -25.234 -99.200 -91.000 TYR 192 0.840 -9.522 3.354 -21.947 -99.200 -91.000 HIS 193 0.900 -13.646 9.369 -16.248 -99.200 -91.000 TYR 194 0.840 -4.878 11.627 -22.129 -99.200 -91.000 TYR 209 0.840 -9.938 -2.023 -10.125 -99.200 -91.000 PHE 217 1.000 -3.331 1.342 -14.414 -99.200 -91.000 TRP 240 1.040 -2.873 14.179 -11.897 -99.200 -91.000 TRP6 240 1.020 -1.524 12.531 -10.871 -99.200 -91.000 PHE 244 1.000 -8.538 11.300 -14.759 -99.200 -91.000 TYR 252 0.840 -1.611 -0.972 -27.748 -99.200 -91.000 PHE 256 1.000 0.726 -4.468 -13.316 -99.200 -91.000 TYR 262 0.840 7.616 -1.462 0.618 -99.200 -91.000 PHE 277 1.000 8.674 2.051 14.201 -99.200 -91.000 HIS 280 0.900 13.846 6.881 22.623 -99.200 -91.000 HIS 289 0.900 6.357 -7.238 31.652 -99.200 -91.000 HIS 299 0.900 1.430 -2.210 3.848 -99.200 -91.000 PHE 320 1.000 -28.354 9.113 -31.370 -99.200 -91.000 PHE 322 1.000 -23.122 10.865 -32.168 -99.200 -91.000 PHE 334 1.000 -0.069 3.797 -18.860 -99.200 -91.000 PHE 338 1.000 2.599 0.969 -15.343 -99.200 -91.000 PHE 341 1.000 -1.672 8.060 -7.243 -99.200 -91.000 PHE 349 1.000 -4.089 -2.120 -2.821 -99.200 -91.000