============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. PHE 3 1.000 -26.395 2.011 36.345 -99.200 -91.000 TYR 19 0.840 -9.698 -19.975 25.237 -99.200 -91.000 PHE 33 1.000 -15.303 -19.161 7.181 -99.200 -91.000 TYR 34 0.840 -13.658 -20.667 11.782 -99.200 -91.000 HIS 41 0.900 -0.477 -20.289 10.685 -99.200 -91.000 TYR 51 0.840 -7.838 -27.474 21.440 -99.200 -91.000 PHE 58 1.000 2.912 -15.425 24.377 -99.200 -91.000 HIS 60 0.900 -3.084 -25.398 22.899 -99.200 -91.000 HIS 61 0.900 -6.814 -22.645 22.979 -99.200 -91.000 PHE 76 1.000 -18.403 -14.164 24.290 -99.200 -91.000 TYR 78 0.840 -12.519 -10.942 28.317 -99.200 -91.000 TYR 92 0.840 -15.550 -7.917 40.114 -99.200 -91.000 TYR 93 0.840 -17.248 -12.285 36.893 -99.200 -91.000 PHE 107 1.000 -13.986 -24.644 32.788 -99.200 -91.000 PHE 123 1.000 -22.885 -11.624 26.394 -99.200 -91.000 TYR 125 0.840 -17.165 -11.883 29.739 -99.200 -91.000 PHE 127 1.000 -12.705 -13.234 33.836 -99.200 -91.000 PHE 128 1.000 -6.173 -17.983 29.391 -99.200 -91.000 TYR 129 0.840 0.141 -16.490 34.417 -99.200 -91.000 HIS 133 0.900 4.435 -19.340 27.003 -99.200 -91.000 TYR 141 0.840 8.005 -12.548 7.486 -99.200 -91.000 TYR 144 0.840 2.206 -12.779 5.933 -99.200 -91.000 HIS 154 0.900 -12.809 -6.341 17.763 -99.200 -91.000 PHE 155 1.000 -13.476 -12.366 23.258 -99.200 -91.000 TYR 168 0.840 -20.022 -7.224 33.793 -99.200 -91.000 PHE 174 1.000 -12.850 -5.449 29.826 -99.200 -91.000 TYR 188 0.840 -28.920 5.433 22.052 -99.200 -91.000 TRP 191 1.040 -16.363 -0.218 19.430 -99.200 -91.000 TRP6 191 1.020 -18.489 0.797 19.134 -99.200 -91.000 HIS 193 0.900 -8.542 0.858 26.214 -99.200 -91.000 HIS 199 0.900 -13.109 -3.174 19.557 -99.200 -91.000 HIS 212 0.900 -22.459 -7.924 15.306 -99.200 -91.000 HIS 213 0.900 -17.719 -7.961 15.494 -99.200 -91.000 PHE 216 1.000 -8.891 -14.491 14.672 -99.200 -91.000 HIS 219 0.900 1.699 -8.593 9.509 -99.200 -91.000 HIS 222 0.900 -0.988 -6.333 1.341 -99.200 -91.000 HIS 247 0.900 -17.123 -0.746 11.267 -99.200 -91.000 PHE 253 1.000 -9.735 -1.862 4.143 -99.200 -91.000 TYR 254 0.840 -16.591 -2.376 7.624 -99.200 -91.000 TYR 256 0.840 -17.895 -6.584 10.621 -99.200 -91.000 HIS 263 0.900 -21.018 -19.681 15.508 -99.200 -91.000 TYR 268 0.840 -8.936 -4.842 13.531 -99.200 -91.000 TYR 272 0.840 -7.738 4.949 18.130 -99.200 -91.000 TYR 273 0.840 -0.544 4.283 23.492 -99.200 -91.000 TRP 284 1.040 -17.587 7.950 16.907 -99.200 -91.000 TRP6 284 1.020 -16.985 8.662 14.752 -99.200 -91.000 HIS 287 0.900 -30.197 11.030 15.631 -99.200 -91.000 TRP 294 1.040 -13.832 8.277 7.069 -99.200 -91.000 TRP6 294 1.020 -14.186 9.788 8.888 -99.200 -91.000 TRP 295 1.040 -14.304 4.816 3.099 -99.200 -91.000 TRP6 295 1.020 -13.491 2.657 2.554 -99.200 -91.000 TRP 303 1.040 -22.286 -5.998 10.928 -99.200 -91.000 TRP6 303 1.020 -22.299 -4.380 12.595 -99.200 -91.000 TYR 304 0.840 -26.912 -2.468 11.695 -99.200 -91.000