============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 10 1.000 -0.893 -5.846 -15.876 -99.200 -91.000 TYR 11 0.840 -1.290 1.653 -11.666 -99.200 -91.000 PHE 16 1.000 -7.901 -1.544 -9.438 -99.200 -91.000 PHE 35 1.000 -3.661 -13.841 1.553 -99.200 -91.000 TYR 40 0.840 -6.539 -16.907 -8.576 -99.200 -91.000 PHE 49 1.000 11.810 -10.473 4.611 -99.200 -91.000 PHE 52 1.000 3.852 -9.997 3.616 -99.200 -91.000 PHE 55 1.000 -0.711 -8.208 8.498 -99.200 -91.000 PHE 63 1.000 -8.871 -2.770 -3.812 -99.200 -91.000 TYR 67 0.840 3.496 -9.666 -10.795 -99.200 -91.000 TYR 75 0.840 4.348 -14.611 -7.938 -99.200 -91.000 TYR 77 0.840 6.058 -6.575 -6.490 -99.200 -91.000 TYR 86 0.840 -12.766 -4.168 8.328 -99.200 -91.000 TRP 98 1.040 -2.900 22.611 -7.942 -99.200 -91.000 TRP6 98 1.020 -3.084 21.417 -5.884 -99.200 -91.000 HIS 103 0.900 -7.128 23.365 -5.742 -99.200 -91.000 PHE 117 1.000 -4.510 2.178 11.456 -99.200 -91.000 TYR 130 0.840 -12.113 10.589 -10.142 -99.200 -91.000 TYR 135 0.840 -9.442 14.886 -14.292 -99.200 -91.000 TYR 138 0.840 -2.071 5.852 -16.687 -99.200 -91.000 HIS 140 0.900 -6.098 4.897 -27.535 -99.200 -91.000 TYR 149 0.840 -8.403 17.764 -19.346 -99.200 -91.000 HIS 151 0.900 -7.114 12.515 -27.780 -99.200 -91.000 PHE 155 1.000 1.222 6.989 -21.031 -99.200 -91.000 TYR 156 0.840 -4.981 9.745 -29.849 -99.200 -91.000 PHE 159 1.000 -3.676 15.725 -18.470 -99.200 -91.000 PHE 166 1.000 -1.295 7.698 -0.945 -99.200 -91.000 HIS 167 0.900 -0.717 17.576 2.885 -99.200 -91.000 PHE 174 1.000 2.749 7.483 1.382 -99.200 -91.000 TYR 176 0.840 3.268 5.346 -4.021 -99.200 -91.000 PHE 179 1.000 1.410 10.285 -16.858 -99.200 -91.000 TYR 180 0.840 8.767 3.394 -11.670 -99.200 -91.000 PHE 190 1.000 3.489 -1.442 -14.447 -99.200 -91.000 TYR 194 0.840 1.325 0.106 -5.680 -99.200 -91.000 PHE 205 1.000 -5.310 8.987 2.789 -99.200 -91.000 HIS 206 0.900 -5.000 16.590 2.226 -99.200 -91.000 TYR 213 0.840 2.701 17.202 -23.661 -99.200 -91.000