============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 13 1.000 -31.259 -9.196 68.893 -99.200 -91.000 HIS 23 0.900 -22.022 6.643 61.436 -99.200 -91.000 TYR 26 0.840 -23.675 0.347 73.985 -99.200 -91.000 PHE 27 1.000 -28.020 -2.354 67.220 -99.200 -91.000 HIS 30 0.900 -37.851 -4.319 73.389 -99.200 -91.000 TYR 38 0.840 -53.045 -8.839 64.462 -99.200 -91.000 PHE 42 1.000 -58.499 -12.422 70.606 -99.200 -91.000 PHE 60 1.000 -30.967 -14.496 69.909 -99.200 -91.000 TYR 62 0.840 -35.552 -23.947 74.491 -99.200 -91.000 TRP 67 1.040 -42.752 -11.413 75.578 -99.200 -91.000 TRP6 67 1.020 -42.049 -9.770 77.127 -99.200 -91.000 HIS 77 0.900 -52.010 -26.319 70.391 -99.200 -91.000 PHE 89 1.000 -37.919 -7.270 64.051 -99.200 -91.000 PHE 90 1.000 -29.524 -6.790 64.209 -99.200 -91.000 HIS 94 0.900 -37.600 8.103 65.264 -99.200 -91.000 TYR 95 0.840 -30.052 8.369 58.193 -99.200 -91.000 TYR 105 0.840 -37.737 -8.297 57.839 -99.200 -91.000 TYR 106 0.840 -28.725 -10.278 59.479 -99.200 -91.000 TYR 124 0.840 -54.890 -24.756 69.117 -99.200 -91.000 HIS 132 0.900 -54.416 -12.179 62.368 -99.200 -91.000 TYR 149 0.840 -53.419 -20.908 50.055 -99.200 -91.000 PHE 152 1.000 -56.747 -17.711 56.777 -99.200 -91.000 PHE 160 1.000 -53.659 -12.329 54.770 -99.200 -91.000 TRP 169 1.040 -44.598 -10.593 49.695 -99.200 -91.000 TRP6 169 1.020 -46.326 -12.202 49.696 -99.200 -91.000 PHE 185 1.000 -58.475 -20.609 52.066 -99.200 -91.000 HIS 186 0.900 -66.562 -13.598 52.829 -99.200 -91.000 PHE 189 1.000 -63.173 -9.522 62.653 -99.200 -91.000 PHE 213 1.000 -58.502 -4.965 49.971 -99.200 -91.000 TYR 216 0.840 -61.744 -10.342 46.898 -99.200 -91.000 TYR 232 0.840 -64.213 1.785 54.779 -99.200 -91.000 TYR 233 0.840 -69.955 -1.724 61.266 -99.200 -91.000 TYR 238 0.840 -66.171 5.596 64.430 -99.200 -91.000 TYR 239 0.840 -60.664 9.661 60.741 -99.200 -91.000 TYR 243 0.840 -56.289 9.763 70.879 -99.200 -91.000 PHE 261 1.000 -62.219 -3.845 64.877 -99.200 -91.000 TYR 265 0.840 -66.883 -9.304 66.070 -99.200 -91.000 TYR 266 0.840 -64.307 -12.920 68.212 -99.200 -91.000 PHE 269 1.000 -65.526 -2.956 74.672 -99.200 -91.000 TYR 277 0.840 -62.512 1.042 74.887 -99.200 -91.000 PHE 304 1.000 -55.073 7.566 75.182 -99.200 -91.000