============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 3 1.000 -50.447 -3.954 58.477 -99.200 -91.000 PHE 11 1.000 -58.779 -1.192 45.570 -99.200 -91.000 TYR 12 0.840 -53.894 -6.794 44.521 -99.200 -91.000 PHE 23 1.000 -51.730 -21.049 63.242 -99.200 -91.000 TYR 38 0.840 -47.803 -7.219 42.207 -99.200 -91.000 PHE 42 1.000 -55.653 -14.094 50.829 -99.200 -91.000 HIS 72 0.900 -29.508 -8.636 47.272 -99.200 -91.000 HIS 73 0.900 -28.868 -9.089 43.181 -99.200 -91.000 HIS 79 0.900 -47.727 -3.658 44.582 -99.200 -91.000 TYR 82 0.840 -54.987 -4.241 49.614 -99.200 -91.000 PHE 101 1.000 -31.789 -28.414 47.598 -99.200 -91.000 PHE 103 1.000 -32.613 -25.147 36.773 -99.200 -91.000 PHE 118 1.000 -27.952 -22.637 40.217 -99.200 -91.000 TYR 128 0.840 -30.495 -5.881 51.213 -99.200 -91.000 HIS 130 0.900 -26.682 -13.011 58.223 -99.200 -91.000 HIS 136 0.900 -35.264 -16.673 55.732 -99.200 -91.000 PHE 137 1.000 -33.151 -16.162 63.944 -99.200 -91.000 HIS 155 0.900 -31.725 -14.301 36.885 -99.200 -91.000 PHE 161 1.000 -37.251 -12.342 54.243 -99.200 -91.000 HIS 165 0.900 -36.431 -10.978 66.758 -99.200 -91.000 PHE 173 1.000 -35.444 -14.057 68.941 -99.200 -91.000 PHE 177 1.000 -36.490 -19.609 65.678 -99.200 -91.000 PHE 182 1.000 -33.420 -28.210 56.055 -99.200 -91.000 TYR 190 0.840 -35.224 -20.891 76.050 -99.200 -91.000 TRP 200 1.040 -26.638 -25.815 61.890 -99.200 -91.000 TRP6 200 1.020 -25.053 -26.948 63.180 -99.200 -91.000 TYR 207 0.840 -23.828 -33.564 54.649 -99.200 -91.000 PHE 216 1.000 -25.740 -31.734 61.836 -99.200 -91.000 TYR 233 0.840 -20.469 -32.538 59.972 -99.200 -91.000 PHE 235 1.000 -17.987 -33.339 55.057 -99.200 -91.000 PHE 239 1.000 -25.211 -41.234 51.388 -99.200 -91.000 PHE 240 1.000 -20.947 -35.382 51.556 -99.200 -91.000 HIS 242 0.900 -19.022 -38.799 41.999 -99.200 -91.000 PHE 250 1.000 -19.405 -22.640 51.901 -99.200 -91.000 HIS 271 0.900 -14.130 -22.071 52.027 -99.200 -91.000 TRP 273 1.040 -16.647 -25.345 46.886 -99.200 -91.000 TRP6 273 1.020 -18.919 -25.353 47.482 -99.200 -91.000 PHE 295 1.000 -30.422 -32.289 44.450 -99.200 -91.000 TYR 299 0.840 -36.574 -31.870 45.155 -99.200 -91.000