============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TYR 8 0.840 -5.234 42.651 -26.173 -99.200 -91.000 TRP 36 1.040 -8.819 37.949 -22.259 -99.200 -91.000 TRP6 36 1.020 -6.881 36.973 -23.204 -99.200 -91.000 TYR 39 0.840 -10.573 30.769 -22.593 -99.200 -91.000 PHE 54 1.000 -5.468 36.665 -16.725 -99.200 -91.000 PHE 55 1.000 -2.380 43.259 -14.593 -99.200 -91.000 TRP 85 1.040 -20.635 41.929 -20.064 -99.200 -91.000 TRP6 85 1.020 -22.075 42.539 -18.289 -99.200 -91.000 PHE 109 1.000 -16.238 49.322 -27.065 -99.200 -91.000 TYR 110 0.840 -12.380 42.043 -30.638 -99.200 -91.000 TYR 117 0.840 -25.453 40.562 -33.744 -99.200 -91.000 TYR 121 0.840 -36.667 41.872 -34.210 -99.200 -91.000 PHE 123 1.000 -31.634 51.919 -31.714 -99.200 -91.000 TYR 133 0.840 -34.776 62.152 -27.155 -99.200 -91.000 PHE 152 1.000 -21.924 52.321 -21.011 -99.200 -91.000 TYR 160 0.840 -23.185 47.753 -31.377 -99.200 -91.000 PHE 162 1.000 -18.051 53.484 -25.384 -99.200 -91.000 TYR 166 0.840 -12.412 58.198 -25.851 -99.200 -91.000 TYR 170 0.840 -18.673 49.915 -31.694 -99.200 -91.000 HIS 171 0.900 -12.438 44.091 -34.181 -99.200 -91.000 PHE 178 1.000 -25.532 48.174 -38.372 -99.200 -91.000 TRP 200 1.040 -15.762 33.597 -37.022 -99.200 -91.000 TRP6 200 1.020 -15.297 33.221 -34.734 -99.200 -91.000 TYR 202 0.840 -8.169 36.219 -37.801 -99.200 -91.000 PHE 203 1.000 -5.890 27.692 -36.140 -99.200 -91.000 PHE 206 1.000 -3.296 32.814 -36.836 -99.200 -91.000 PHE 214 1.000 -7.487 29.563 -31.279 -99.200 -91.000 TYR 215 0.840 -3.698 24.110 -32.109 -99.200 -91.000 PHE 217 1.000 -3.024 33.801 -25.685 -99.200 -91.000 PHE 220 1.000 -10.539 22.559 -29.448 -99.200 -91.000 TYR 229 0.840 -15.930 16.897 -36.574 -99.200 -91.000 HIS 234 0.900 -22.372 5.925 -41.384 -99.200 -91.000 PHE 237 1.000 -27.537 17.211 -35.754 -99.200 -91.000 PHE 239 1.000 -29.664 18.846 -29.360 -99.200 -91.000 PHE 277 1.000 -18.969 13.776 -33.741 -99.200 -91.000 PHE 278 1.000 -25.382 17.306 -25.455 -99.200 -91.000 HIS 281 0.900 -24.650 27.302 -22.041 -99.200 -91.000 TYR 286 0.840 -29.614 20.087 -18.679 -99.200 -91.000 HIS 294 0.900 -31.643 10.434 -28.020 -99.200 -91.000 TYR 300 0.840 -14.370 19.476 -20.690 -99.200 -91.000 PHE 305 1.000 -19.842 24.729 -32.535 -99.200 -91.000 PHE 326 1.000 -27.682 26.929 -33.621 -99.200 -91.000 PHE 327 1.000 -26.971 35.422 -33.241 -99.200 -91.000 PHE 337 1.000 -32.917 19.727 -34.875 -99.200 -91.000 PHE 339 1.000 -37.354 21.541 -31.349 -99.200 -91.000 TYR 340 0.840 -35.110 29.824 -31.622 -99.200 -91.000