============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. PHE 5 1.000 -67.219 -11.402 -15.018 -99.200 -91.000 PHE 12 1.000 -50.438 -8.413 -13.255 -99.200 -91.000 PHE 25 1.000 -31.649 6.155 -9.647 -99.200 -91.000 PHE 29 1.000 -26.510 10.676 -15.916 -99.200 -91.000 PHE 30 1.000 -30.431 3.036 -18.011 -99.200 -91.000 PHE 45 1.000 -38.679 -11.049 -14.818 -99.200 -91.000 TYR 49 0.840 -48.261 -4.135 -23.689 -99.200 -91.000 HIS 80 0.900 -43.248 9.744 -23.137 -99.200 -91.000 HIS 84 0.900 -47.811 19.740 -28.759 -99.200 -91.000 TYR 109 0.840 -56.685 23.800 -28.238 -99.200 -91.000 PHE 120 1.000 -50.037 10.569 -38.150 -99.200 -91.000 PHE 130 1.000 -56.481 11.526 -23.846 -99.200 -91.000 PHE 136 1.000 -54.994 8.862 -8.433 -99.200 -91.000 TYR 147 0.840 -58.907 9.292 -18.418 -99.200 -91.000 TYR 173 0.840 -61.925 -1.291 -5.373 -99.200 -91.000 HIS 190 0.900 -45.774 6.044 -14.276 -99.200 -91.000 PHE 191 1.000 -51.189 3.541 -9.280 -99.200 -91.000 HIS 192 0.900 -43.352 8.990 -10.116 -99.200 -91.000 TYR 203 0.840 -53.633 -6.906 -4.508 -99.200 -91.000 HIS 212 0.900 -52.425 -3.217 -20.584 -99.200 -91.000 TYR 237 0.840 -44.650 -16.714 -5.234 -99.200 -91.000 TYR 243 0.840 -51.119 -14.374 -14.331 -99.200 -91.000 HIS 246 0.900 -46.532 -22.668 -14.330 -99.200 -91.000 TYR 248 0.840 -44.345 -11.718 -15.395 -99.200 -91.000 PHE 270 1.000 -31.539 -2.825 5.175 -99.200 -91.000 TYR 273 0.840 -40.461 -4.606 -1.519 -99.200 -91.000 PHE 280 1.000 -36.796 -15.511 -0.379 -99.200 -91.000 HIS 282 0.900 -37.748 -17.546 8.502 -99.200 -91.000 HIS 287 0.900 -32.762 -11.341 19.820 -99.200 -91.000 TYR 298 0.840 -45.677 -16.644 11.183 -99.200 -91.000 PHE 306 1.000 -40.062 -15.244 -5.719 -99.200 -91.000 TYR 311 0.840 -37.843 -17.709 3.834 -99.200 -91.000 HIS 313 0.900 -34.425 -20.922 9.799 -99.200 -91.000 TRP 321 1.040 -15.318 -19.162 2.756 -99.200 -91.000 TRP6 321 1.020 -16.012 -18.529 0.581 -99.200 -91.000 HIS 334 0.900 -24.006 -25.272 -6.714 -99.200 -91.000 TYR 368 0.840 -17.884 -14.382 -8.428 -99.200 -91.000 HIS 369 0.900 -23.234 -14.151 -13.999 -99.200 -91.000