============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 21 1.000 34.096 4.816 17.957 -99.200 -91.000 HIS 30 0.900 26.387 11.531 5.554 -99.200 -91.000 TYR 32 0.840 23.813 4.790 12.155 -99.200 -91.000 TYR 35 0.840 31.938 0.805 9.947 -99.200 -91.000 TYR 45 0.840 27.615 -13.919 0.490 -99.200 -91.000 HIS 47 0.900 26.308 -18.921 -0.709 -99.200 -91.000 PHE 72 1.000 34.362 -11.657 13.761 -99.200 -91.000 PHE 95 1.000 23.836 3.573 29.687 -99.200 -91.000 PHE 110 1.000 23.881 15.347 29.865 -99.200 -91.000 HIS 130 0.900 8.849 18.024 29.490 -99.200 -91.000 HIS 131 0.900 12.868 14.002 23.566 -99.200 -91.000 TYR 138 0.840 7.773 7.261 31.469 -99.200 -91.000 PHE 139 1.000 18.268 3.579 29.466 -99.200 -91.000 PHE 142 1.000 10.104 6.372 26.519 -99.200 -91.000 TYR 169 0.840 -10.237 14.634 14.616 -99.200 -91.000 PHE 177 1.000 -1.307 -2.448 14.750 -99.200 -91.000 HIS 193 0.900 -12.236 17.422 10.471 -99.200 -91.000 PHE 196 1.000 -4.476 20.438 8.163 -99.200 -91.000 HIS 208 0.900 -5.406 21.590 22.714 -99.200 -91.000 HIS 218 0.900 -7.406 9.243 33.749 -99.200 -91.000 PHE 219 1.000 -3.221 5.062 24.745 -99.200 -91.000 PHE 231 1.000 1.473 13.999 22.057 -99.200 -91.000 TYR 246 0.840 -0.964 -3.958 29.930 -99.200 -91.000 HIS 248 0.900 4.434 4.871 32.088 -99.200 -91.000 TYR 261 0.840 -4.633 10.081 6.516 -99.200 -91.000 TYR 262 0.840 -5.713 7.994 1.774 -99.200 -91.000 TYR 267 0.840 8.506 9.318 5.220 -99.200 -91.000 PHE 268 1.000 5.524 9.665 8.911 -99.200 -91.000 PHE 274 1.000 7.109 -0.822 -0.070 -99.200 -91.000 HIS 281 0.900 8.968 0.688 -10.390 -99.200 -91.000 PHE 287 1.000 4.868 9.268 -12.342 -99.200 -91.000 TYR 292 0.840 5.930 16.507 3.748 -99.200 -91.000 PHE 316 1.000 1.931 0.626 -3.613 -99.200 -91.000 TYR 318 0.840 -0.838 9.383 -9.858 -99.200 -91.000 TRP 321 1.040 6.631 -1.387 -8.240 -99.200 -91.000 TRP6 321 1.020 7.446 -1.093 -6.037 -99.200 -91.000 TYR 323 0.840 -2.223 -1.668 -1.757 -99.200 -91.000