============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TYR 2 0.840 -8.927 -39.553 114.241 -99.200 -91.000 TRP 12 1.040 -6.596 -30.710 99.437 -99.200 -91.000 TRP6 12 1.020 -8.943 -30.982 99.519 -99.200 -91.000 TYR 34 0.840 3.603 -14.406 123.843 -99.200 -91.000 HIS 50 0.900 -17.671 -20.919 112.328 -99.200 -91.000 TRP 71 1.040 -11.291 -26.358 117.503 -99.200 -91.000 TRP6 71 1.020 -10.107 -24.836 118.868 -99.200 -91.000 PHE 77 1.000 -25.118 -27.636 106.576 -99.200 -91.000 HIS 82 0.900 -9.083 -28.926 102.930 -99.200 -91.000 PHE 95 1.000 -13.422 -35.798 119.457 -99.200 -91.000 TRP 97 1.040 -19.514 -35.109 110.531 -99.200 -91.000 TRP6 97 1.020 -19.076 -35.845 112.716 -99.200 -91.000 TYR 105 0.840 -22.982 -27.573 117.183 -99.200 -91.000 TRP 107 1.040 -20.651 -38.267 120.383 -99.200 -91.000 TRP6 107 1.020 -18.762 -38.263 118.965 -99.200 -91.000 PHE 116 1.000 -8.828 -31.164 127.515 -99.200 -91.000 TYR 121 0.840 -14.078 -33.458 134.520 -99.200 -91.000 TYR 135 0.840 -23.288 -29.460 127.217 -99.200 -91.000 TYR 147 0.840 -7.850 -22.038 136.787 -99.200 -91.000 TYR 161 0.840 -20.574 -7.286 127.210 -99.200 -91.000 PHE 185 1.000 -8.204 -3.954 111.161 -99.200 -91.000 TYR 189 0.840 -11.048 -3.704 106.277 -99.200 -91.000 TYR 217 0.840 -23.943 0.286 106.398 -99.200 -91.000 PHE 231 1.000 -17.370 -8.626 92.886 -99.200 -91.000 TYR 253 0.840 -24.367 0.944 100.686 -99.200 -91.000 HIS 266 0.900 -32.621 -8.751 90.611 -99.200 -91.000 PHE 268 1.000 -34.963 -10.607 99.605 -99.200 -91.000 HIS 282 0.900 -40.161 -10.183 105.333 -99.200 -91.000 PHE 283 1.000 -39.370 -16.893 104.240 -99.200 -91.000 HIS 297 0.900 -22.352 -18.111 115.767 -99.200 -91.000 PHE 298 1.000 -26.803 -19.113 117.396 -99.200 -91.000 TRP 306 1.040 -44.162 -20.072 107.105 -99.200 -91.000 TRP6 306 1.020 -44.057 -19.497 104.834 -99.200 -91.000 TYR 324 0.840 -36.553 -24.806 100.318 -99.200 -91.000 HIS 331 0.900 -38.983 -22.257 90.656 -99.200 -91.000 HIS 349 0.900 -14.580 -13.530 107.533 -99.200 -91.000 PHE 352 1.000 -2.786 -9.773 106.137 -99.200 -91.000 PHE 358 1.000 -8.863 -17.983 114.227 -99.200 -91.000 TRP 369 1.040 -2.537 -21.542 131.758 -99.200 -91.000 TRP6 369 1.020 -3.964 -22.942 132.995 -99.200 -91.000 TYR 377 0.840 -7.830 -11.191 133.496 -99.200 -91.000 TYR 386 0.840 -12.011 -9.042 133.284 -99.200 -91.000 PHE 387 1.000 -14.216 -4.323 126.048 -99.200 -91.000 HIS 400 0.900 -1.548 -9.865 111.435 -99.200 -91.000 TYR 418 0.840 0.460 19.398 119.536 -99.200 -91.000 PHE 427 1.000 1.216 4.617 118.530 -99.200 -91.000 HIS 431 0.900 -12.401 8.645 124.430 -99.200 -91.000 TYR 432 0.840 -9.483 6.893 117.256 -99.200 -91.000 TYR 434 0.840 -8.696 2.401 116.870 -99.200 -91.000