============================================================================= 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. TYR 21 0.840 28.445 12.651 -73.781 -99.200 -91.000 TYR 24 0.840 19.973 24.631 -72.066 -99.200 -91.000 TYR 25 0.840 25.871 21.054 -65.424 -99.200 -91.000 TYR 30 0.840 23.075 20.378 -57.028 -99.200 -91.000 TYR 33 0.840 20.020 17.861 -50.680 -99.200 -91.000 TYR 53 0.840 10.283 29.011 -67.536 -99.200 -91.000 PHE 57 1.000 4.739 29.141 -58.426 -99.200 -91.000 PHE 65 1.000 16.004 29.461 -57.695 -99.200 -91.000 TYR 77 0.840 21.060 29.130 -61.906 -99.200 -91.000 PHE 84 1.000 10.022 27.957 -61.801 -99.200 -91.000 TYR 85 0.840 12.498 36.122 -54.810 -99.200 -91.000 PHE 92 1.000 4.309 33.540 -47.121 -99.200 -91.000 TYR 97 0.840 5.321 27.600 -46.595 -99.200 -91.000 PHE 98 1.000 7.084 26.638 -55.960 -99.200 -91.000 TRP 101 1.040 18.363 24.297 -50.686 -99.200 -91.000 TRP6 101 1.020 18.070 24.049 -48.352 -99.200 -91.000 PHE 107 1.000 24.154 32.351 -49.539 -99.200 -91.000 PHE 134 1.000 24.930 25.472 -36.237 -99.200 -91.000 HIS 140 0.900 15.212 31.974 -32.204 -99.200 -91.000 PHE 144 1.000 20.710 24.365 -39.486 -99.200 -91.000 PHE 147 1.000 19.871 19.635 -39.182 -99.200 -91.000 PHE 164 1.000 34.426 21.524 -53.607 -99.200 -91.000 HIS 165 0.900 31.915 29.733 -51.057 -99.200 -91.000 TRP 167 1.040 32.950 35.359 -57.330 -99.200 -91.000 TRP6 167 1.020 33.940 37.505 -57.285 -99.200 -91.000 PHE 174 1.000 22.120 39.371 -43.928 -99.200 -91.000 PHE 183 1.000 13.214 37.363 -48.334 -99.200 -91.000 PHE 184 1.000 17.436 35.687 -47.649 -99.200 -91.000 PHE 197 1.000 32.218 32.213 -46.174 -99.200 -91.000 TYR 204 0.840 14.508 37.233 -39.806 -99.200 -91.000 TYR 206 0.840 7.569 36.741 -48.658 -99.200 -91.000 TYR 209 0.840 13.544 27.538 -46.272 -99.200 -91.000 TRP 213 1.040 26.609 24.922 -46.131 -99.200 -91.000 TRP6 213 1.020 25.779 22.809 -45.471 -99.200 -91.000 HIS 214 0.900 28.152 22.944 -53.829 -99.200 -91.000 TYR 220 0.840 23.323 11.382 -52.720 -99.200 -91.000 TRP 222 1.040 31.004 8.822 -53.676 -99.200 -91.000 TRP6 222 1.020 31.524 8.480 -51.396 -99.200 -91.000 HIS 230 0.900 32.438 11.750 -49.731 -99.200 -91.000 PHE 239 1.000 16.793 11.770 -44.251 -99.200 -91.000 TYR 240 0.840 18.009 14.631 -39.305 -99.200 -91.000 PHE 244 1.000 13.403 23.472 -43.568 -99.200 -91.000 PHE 245 1.000 13.428 22.532 -51.291 -99.200 -91.000 HIS 254 0.900 1.696 25.114 -56.323 -99.200 -91.000 HIS 255 0.900 -3.451 19.277 -58.400 -99.200 -91.000 PHE 256 1.000 3.682 18.027 -63.313 -99.200 -91.000 TYR 268 0.840 11.176 8.495 -61.342 -99.200 -91.000 PHE 270 1.000 14.240 14.310 -69.355 -99.200 -91.000 TYR 274 0.840 32.129 7.724 -64.632 -99.200 -91.000 PHE 281 1.000 29.038 18.763 -60.930 -99.200 -91.000 TYR 285 0.840 19.652 12.637 -64.415 -99.200 -91.000 PHE 287 1.000 18.163 17.543 -68.695 -99.200 -91.000