============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. PHE 6 1.000 -1.808 -8.553 -22.942 -99.200 -91.000 PHE 8 1.000 -3.140 -6.549 -18.487 -99.200 -91.000 HIS 11 0.900 0.737 2.664 -21.757 -99.200 -91.000 TYR 12 0.840 3.010 -0.676 -29.040 -99.200 -91.000 HIS 21 0.900 2.340 -4.246 -25.714 -99.200 -91.000 TYR 22 0.840 5.530 0.491 -21.687 -99.200 -91.000 PHE 35 1.000 4.316 -8.413 -12.630 -99.200 -91.000 HIS 37 0.900 8.110 -12.630 -22.680 -99.200 -91.000 TYR 44 0.840 -2.795 -14.259 -23.418 -99.200 -91.000 TRP 46 1.040 5.008 -11.722 -16.600 -99.200 -91.000 TRP6 46 1.020 5.619 -13.217 -14.870 -99.200 -91.000 HIS 52 0.900 -4.789 -12.036 -7.698 -99.200 -91.000 HIS 57 0.900 3.191 -2.522 -4.470 -99.200 -91.000 TYR 77 0.840 15.840 -11.219 -32.206 -99.200 -91.000 PHE 78 1.000 24.659 -14.661 -30.888 -99.200 -91.000 PHE 79 1.000 21.240 -13.566 -21.032 -99.200 -91.000 HIS 82 0.900 15.832 -11.210 -25.851 -99.200 -91.000 TYR 85 0.840 17.107 -4.000 -28.618 -99.200 -91.000 PHE 89 1.000 10.635 -1.412 -20.876 -99.200 -91.000 HIS 103 0.900 8.308 -18.817 -16.534 -99.200 -91.000 TRP 105 1.040 16.348 -18.517 -21.996 -99.200 -91.000 TRP6 105 1.020 18.562 -17.875 -21.489 -99.200 -91.000 PHE 111 1.000 17.256 -14.834 -10.349 -99.200 -91.000 HIS 112 0.900 23.939 -10.246 -16.836 -99.200 -91.000 TRP 113 1.040 18.716 -4.049 -14.695 -99.200 -91.000 TRP6 113 1.020 17.867 -3.232 -12.652 -99.200 -91.000 PHE 129 1.000 15.652 -19.780 -9.717 -99.200 -91.000 TRP 136 1.040 23.117 -32.651 -21.581 -99.200 -91.000 TRP6 136 1.020 21.360 -31.404 -22.543 -99.200 -91.000 PHE 139 1.000 17.110 -29.301 -19.581 -99.200 -91.000 HIS 140 0.900 13.024 -30.080 -17.763 -99.200 -91.000 HIS 148 0.900 6.231 -38.017 -16.797 -99.200 -91.000 PHE 156 1.000 14.450 -27.579 -23.404 -99.200 -91.000 PHE 159 1.000 13.523 -27.841 -28.725 -99.200 -91.000 PHE 175 1.000 11.044 -23.502 -26.476 -99.200 -91.000 HIS 195 0.900 -4.941 -13.344 -26.831 -99.200 -91.000 TYR 196 0.840 1.184 -17.654 -24.191 -99.200 -91.000 PHE 200 1.000 7.157 -15.697 -31.626 -99.200 -91.000 TRP 210 1.040 17.434 -22.968 -33.346 -99.200 -91.000 TRP6 210 1.020 19.589 -22.017 -33.540 -99.200 -91.000 PHE 212 1.000 15.415 -16.283 -25.129 -99.200 -91.000 TYR 232 0.840 21.767 -15.422 -13.091 -99.200 -91.000 TRP 235 1.040 23.967 -10.166 -6.290 -99.200 -91.000 TRP6 235 1.020 21.628 -10.203 -6.583 -99.200 -91.000 HIS 237 0.900 23.066 -20.157 -4.070 -99.200 -91.000 PHE 246 1.000 5.169 -16.864 -6.197 -99.200 -91.000 TRP 247 1.040 7.244 -24.947 -3.896 -99.200 -91.000 TRP6 247 1.020 6.552 -27.179 -3.661 -99.200 -91.000 HIS 279 0.900 9.722 -23.751 -17.597 -99.200 -91.000 TYR 280 0.840 6.208 -22.246 -20.553 -99.200 -91.000 TRP 296 1.040 7.871 -11.029 -1.040 -99.200 -91.000 TRP6 296 1.020 8.612 -10.277 -3.154 -99.200 -91.000