============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 8 0.840 -5.828 14.182 21.850 -99.200 -91.000 TYR 10 0.840 -6.283 18.942 14.503 -99.200 -91.000 TYR 17 0.840 15.040 18.826 14.683 -99.200 -91.000 HIS 38 0.900 9.623 15.806 13.736 -99.200 -91.000 TYR 40 0.840 6.657 11.776 11.941 -99.200 -91.000 HIS 43 0.900 17.788 11.491 11.802 -99.200 -91.000 PHE 57 1.000 5.059 14.143 1.963 -99.200 -91.000 HIS 60 0.900 3.334 10.822 11.501 -99.200 -91.000 PHE 76 1.000 10.524 5.395 -6.105 -99.200 -91.000 TYR 81 0.840 19.173 12.303 -15.404 -99.200 -91.000 HIS 101 0.900 18.872 23.363 -15.738 -99.200 -91.000 PHE 103 1.000 10.194 15.978 -8.153 -99.200 -91.000 HIS 105 0.900 11.810 24.405 -9.172 -99.200 -91.000 HIS 107 0.900 11.981 29.538 -11.381 -99.200 -91.000 PHE 109 1.000 8.385 29.710 -3.840 -99.200 -91.000 TYR 114 0.840 24.633 21.688 -10.614 -99.200 -91.000 PHE 124 1.000 28.969 20.595 -8.904 -99.200 -91.000 PHE 130 1.000 16.317 28.050 5.054 -99.200 -91.000 PHE 135 1.000 11.849 31.147 3.709 -99.200 -91.000 HIS 147 0.900 -2.386 35.745 8.392 -99.200 -91.000 PHE 148 1.000 2.708 34.272 1.154 -99.200 -91.000 TYR 150 0.840 -4.739 31.315 -4.277 -99.200 -91.000 PHE 169 1.000 28.987 30.755 -16.665 -99.200 -91.000 TRP 172 1.040 21.731 26.522 -14.047 -99.200 -91.000 TRP6 172 1.020 22.285 24.258 -14.519 -99.200 -91.000 PHE 173 1.000 15.750 31.552 -15.003 -99.200 -91.000 PHE 186 1.000 3.412 19.850 -3.392 -99.200 -91.000 PHE 188 1.000 -1.179 30.333 -1.310 -99.200 -91.000 PHE 194 1.000 -4.810 24.956 10.288 -99.200 -91.000 TRP 209 1.040 1.393 28.607 11.564 -99.200 -91.000 TRP6 209 1.020 -0.798 28.000 10.877 -99.200 -91.000 TRP 210 1.040 6.853 29.485 3.224 -99.200 -91.000 TRP6 210 1.020 7.131 31.402 1.842 -99.200 -91.000 TYR 212 0.840 8.862 26.103 14.121 -99.200 -91.000 TRP 213 1.040 7.685 23.122 5.836 -99.200 -91.000 TRP6 213 1.020 6.318 23.707 3.989 -99.200 -91.000 PHE 214 1.000 9.995 26.667 2.463 -99.200 -91.000 PHE 219 1.000 6.211 18.305 10.299 -99.200 -91.000 TYR 221 0.840 2.349 19.666 15.541 -99.200 -91.000 HIS 222 0.900 6.868 24.260 20.132 -99.200 -91.000 TRP 225 1.040 0.884 23.518 10.368 -99.200 -91.000 TRP6 225 1.020 1.614 21.294 10.707 -99.200 -91.000 HIS 226 0.900 -4.874 21.821 13.101 -99.200 -91.000 PHE 236 1.000 -5.898 24.235 -0.766 -99.200 -91.000 PHE 272 1.000 15.262 13.424 -16.241 -99.200 -91.000 PHE 279 1.000 23.645 19.195 -15.679 -99.200 -91.000 TYR 287 0.840 19.342 24.632 7.484 -99.200 -91.000 TYR 288 0.840 22.953 20.801 12.536 -99.200 -91.000