============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. PHE 2 1.000 -40.617 32.721 -40.536 -99.200 -91.000 TYR 17 0.840 -30.145 24.125 -20.886 -99.200 -91.000 TRP 28 1.040 -44.051 31.020 -17.150 -99.200 -91.000 TRP6 28 1.020 -44.140 31.402 -14.821 -99.200 -91.000 HIS 32 0.900 -26.804 27.001 -16.703 -99.200 -91.000 TYR 49 0.840 -42.041 33.138 -9.859 -99.200 -91.000 TRP 70 1.040 -45.422 20.325 -12.414 -99.200 -91.000 TRP6 70 1.020 -44.963 18.992 -10.513 -99.200 -91.000 PHE 71 1.000 -38.443 24.419 -10.770 -99.200 -91.000 TYR 91 0.840 -43.043 17.790 -5.134 -99.200 -91.000 TYR 101 0.840 -31.614 18.100 -20.199 -99.200 -91.000 TRP 112 1.040 -45.269 10.460 -17.294 -99.200 -91.000 TRP6 112 1.020 -44.861 8.135 -17.209 -99.200 -91.000 PHE 113 1.000 -39.169 12.730 -12.746 -99.200 -91.000 TYR 133 0.840 -42.410 3.324 -14.817 -99.200 -91.000 TYR 141 0.840 -25.521 11.616 -20.035 -99.200 -91.000 PHE 144 1.000 -34.297 18.750 -24.680 -99.200 -91.000 TRP 154 1.040 -43.227 8.327 -28.558 -99.200 -91.000 TRP6 154 1.020 -42.444 6.667 -30.050 -99.200 -91.000 PHE 155 1.000 -37.656 7.063 -23.223 -99.200 -91.000 PHE 175 1.000 -39.320 1.679 -31.971 -99.200 -91.000 TRP 196 1.040 -41.234 15.669 -37.075 -99.200 -91.000 TRP6 196 1.020 -40.282 15.839 -39.233 -99.200 -91.000 PHE 197 1.000 -34.692 11.334 -33.982 -99.200 -91.000 PHE 217 1.000 -36.382 14.479 -43.372 -99.200 -91.000 HIS 227 0.900 -30.287 22.115 -25.936 -99.200 -91.000 TRP 238 1.040 -39.952 27.295 -36.693 -99.200 -91.000 TRP6 238 1.020 -38.885 29.007 -37.927 -99.200 -91.000 PHE 239 1.000 -32.971 22.518 -37.102 -99.200 -91.000 TRP 242 1.040 -24.285 25.380 -27.850 -99.200 -91.000 TRP6 242 1.020 -22.274 24.162 -28.059 -99.200 -91.000 TYR 259 0.840 -35.105 31.710 -41.106 -99.200 -91.000 PHE 273 1.000 -45.443 28.773 -33.735 -99.200 -91.000 TRP 279 1.040 -41.876 33.617 -27.619 -99.200 -91.000 TRP6 279 1.020 -41.217 35.664 -26.638 -99.200 -91.000 PHE 280 1.000 -33.743 32.114 -30.834 -99.200 -91.000