============================================================================= 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 16 0.840 -20.075 16.144 5.680 -99.200 -91.000 PHE 20 1.000 -17.504 12.367 10.384 -99.200 -91.000 TYR 21 0.840 -16.798 20.256 6.074 -99.200 -91.000 TYR 23 0.840 -14.347 13.970 15.198 -99.200 -91.000 HIS 52 0.900 -12.817 20.688 7.063 -99.200 -91.000 HIS 55 0.900 -5.218 14.910 -2.452 -99.200 -91.000 HIS 57 0.900 -8.919 8.888 -4.375 -99.200 -91.000 TRP 58 1.040 -16.730 8.672 -4.362 -99.200 -91.000 TRP6 58 1.020 -15.597 10.738 -4.482 -99.200 -91.000 HIS 59 0.900 -17.032 0.434 -5.176 -99.200 -91.000 TYR 66 0.840 -27.055 -1.408 0.620 -99.200 -91.000 TYR 72 0.840 -13.932 11.760 3.067 -99.200 -91.000 PHE 89 1.000 -18.968 -10.557 -1.434 -99.200 -91.000 PHE 95 1.000 -10.644 -3.323 -0.208 -99.200 -91.000 PHE 100 1.000 -2.303 7.866 1.746 -99.200 -91.000 TYR 109 0.840 -21.580 -0.889 6.019 -99.200 -91.000 TYR 124 0.840 -21.718 -17.123 8.726 -99.200 -91.000 PHE 126 1.000 -16.974 -8.371 2.658 -99.200 -91.000 PHE 130 1.000 -11.470 -7.945 3.795 -99.200 -91.000 TYR 131 0.840 -8.564 -16.226 6.987 -99.200 -91.000 TRP 150 1.040 -13.208 -4.886 10.548 -99.200 -91.000 TRP6 150 1.020 -11.774 -6.548 9.699 -99.200 -91.000 HIS 154 0.900 -11.665 -12.019 19.077 -99.200 -91.000 TRP 162 1.040 -20.865 -11.708 28.461 -99.200 -91.000 TRP6 162 1.020 -21.042 -13.992 29.003 -99.200 -91.000 PHE 171 1.000 -20.402 -12.445 21.575 -99.200 -91.000 TRP 178 1.040 -13.532 -14.820 8.796 -99.200 -91.000 TRP6 178 1.020 -13.221 -12.482 8.720 -99.200 -91.000 HIS 184 0.900 -5.563 -14.767 18.670 -99.200 -91.000 TRP 188 1.040 -4.335 -8.974 9.014 -99.200 -91.000 TRP6 188 1.020 -3.897 -6.893 8.017 -99.200 -91.000 TRP 192 1.040 -10.313 -0.555 22.441 -99.200 -91.000 TRP6 192 1.020 -10.194 1.762 22.856 -99.200 -91.000 TYR 196 0.840 -5.881 2.192 25.231 -99.200 -91.000 TYR 202 0.840 -19.497 -1.864 25.467 -99.200 -91.000 TRP 204 1.040 -24.340 0.058 16.185 -99.200 -91.000 TRP6 204 1.020 -25.646 -1.732 16.959 -99.200 -91.000 TRP 205 1.040 -23.445 2.475 22.800 -99.200 -91.000 TRP6 205 1.020 -21.615 3.584 21.804 -99.200 -91.000 TYR 212 0.840 -24.377 7.359 23.249 -99.200 -91.000 TRP 218 1.040 -23.853 -4.992 20.177 -99.200 -91.000 TRP6 218 1.020 -23.963 -7.148 19.226 -99.200 -91.000 TYR 222 0.840 -12.956 -5.395 15.322 -99.200 -91.000 HIS 237 0.900 -9.594 9.926 20.886 -99.200 -91.000 TYR 239 0.840 -15.149 13.392 19.547 -99.200 -91.000 PHE 244 1.000 -19.418 13.853 15.240 -99.200 -91.000 HIS 247 0.900 -21.301 1.875 13.738 -99.200 -91.000 TYR 254 0.840 -1.841 3.570 13.829 -99.200 -91.000 TYR 256 0.840 4.134 4.463 8.842 -99.200 -91.000