============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. HIS 16 0.900 -61.535 35.141 -32.118 -99.200 -91.000 TYR 18 0.840 -64.149 32.310 -24.122 -99.200 -91.000 PHE 24 1.000 -54.223 22.074 -27.126 -99.200 -91.000 TRP 28 1.040 -59.424 30.092 -32.922 -99.200 -91.000 TRP6 28 1.020 -58.998 28.347 -31.379 -99.200 -91.000 PHE 34 1.000 -63.391 19.959 -38.389 -99.200 -91.000 HIS 35 0.900 -63.993 22.895 -44.986 -99.200 -91.000 TYR 46 0.840 -63.915 24.699 -17.362 -99.200 -91.000 TRP 53 1.040 -67.395 7.484 -17.682 -99.200 -91.000 TRP6 53 1.020 -68.477 8.402 -15.782 -99.200 -91.000 PHE 74 1.000 -52.444 3.724 -28.250 -99.200 -91.000 HIS 109 0.900 -61.875 19.742 -22.940 -99.200 -91.000 PHE 119 1.000 -67.822 20.879 -35.326 -99.200 -91.000 TRP 120 1.040 -72.525 26.959 -33.639 -99.200 -91.000 TRP6 120 1.020 -73.131 25.686 -31.724 -99.200 -91.000 TYR 128 0.840 -71.383 21.627 -21.694 -99.200 -91.000 TYR 140 0.840 -58.381 23.089 -16.228 -99.200 -91.000 TYR 141 0.840 -53.029 21.918 -7.585 -99.200 -91.000 HIS 142 0.900 -54.723 17.005 -7.565 -99.200 -91.000 PHE 143 1.000 -55.065 17.635 -18.139 -99.200 -91.000 PHE 152 1.000 -43.583 24.981 -14.218 -99.200 -91.000 TRP 156 1.040 -56.519 23.641 -3.099 -99.200 -91.000 TRP6 156 1.020 -57.868 23.348 -5.018 -99.200 -91.000 TYR 159 0.840 -55.970 25.506 -10.854 -99.200 -91.000 PHE 163 1.000 -62.391 26.168 -11.409 -99.200 -91.000 TYR 170 0.840 -60.055 24.573 -23.622 -99.200 -91.000 TRP 173 1.040 -67.602 24.463 -14.123 -99.200 -91.000 TRP6 173 1.020 -69.454 25.195 -12.853 -99.200 -91.000 PHE 174 1.000 -68.327 30.153 -11.297 -99.200 -91.000 HIS 176 0.900 -66.954 25.259 -21.618 -99.200 -91.000 TRP 180 1.040 -70.781 24.646 -24.452 -99.200 -91.000 TRP6 180 1.020 -71.363 23.561 -26.491 -99.200 -91.000 TRP 181 1.040 -79.444 25.487 -18.636 -99.200 -91.000 TRP6 181 1.020 -80.090 23.278 -18.054 -99.200 -91.000 HIS 187 0.900 -76.764 22.795 -33.081 -99.200 -91.000 PHE 191 1.000 -75.922 20.985 -19.283 -99.200 -91.000 TYR 193 0.840 -76.557 18.489 -14.357 -99.200 -91.000 TYR 194 0.840 -67.527 12.672 -13.108 -99.200 -91.000 PHE 211 1.000 -78.476 14.197 -28.664 -99.200 -91.000 HIS 226 0.900 -67.012 -5.133 -16.533 -99.200 -91.000 HIS 227 0.900 -64.447 -1.089 -22.996 -99.200 -91.000 PHE 230 1.000 -60.881 5.985 -11.888 -99.200 -91.000 TYR 241 0.840 -55.908 11.169 -22.936 -99.200 -91.000 HIS 243 0.900 -52.364 7.571 -26.130 -99.200 -91.000 HIS 251 0.900 -50.156 9.412 -17.585 -99.200 -91.000 PHE 256 1.000 -56.886 12.087 -18.781 -99.200 -91.000 TRP 265 1.040 -66.166 18.681 -3.490 -99.200 -91.000 TRP6 265 1.020 -66.557 20.053 -1.597 -99.200 -91.000 TYR 268 0.840 -57.128 16.894 -3.092 -99.200 -91.000 PHE 269 1.000 -62.843 23.405 -3.095 -99.200 -91.000 PHE 277 1.000 -65.928 26.660 -5.950 -99.200 -91.000 TYR 281 0.840 -71.954 26.901 -7.780 -99.200 -91.000 PHE 292 1.000 -73.277 21.949 -12.630 -99.200 -91.000