============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 15.640 -14.250 34.135 -99.200 -91.000 TYR 31 0.840 30.597 -14.796 38.313 -99.200 -91.000 TYR 36 0.840 27.439 -18.427 33.371 -99.200 -91.000 TYR 37 0.840 25.533 -17.198 25.495 -99.200 -91.000 PHE 38 1.000 20.772 -14.854 31.983 -99.200 -91.000 TRP 40 1.040 13.846 -11.685 29.215 -99.200 -91.000 TRP6 40 1.020 16.188 -11.350 29.323 -99.200 -91.000 TYR 42 0.840 7.018 -13.043 20.277 -99.200 -91.000 PHE 57 1.000 18.999 -9.126 18.989 -99.200 -91.000 PHE 66 1.000 32.893 -6.666 16.093 -99.200 -91.000 TYR 89 0.840 48.213 5.485 5.422 -99.200 -91.000 TRP 90 1.040 41.326 9.738 -0.829 -99.200 -91.000 TRP6 90 1.020 39.277 10.253 0.239 -99.200 -91.000 TRP 98 1.040 41.340 17.079 4.329 -99.200 -91.000 TRP6 98 1.020 40.512 15.396 5.773 -99.200 -91.000 HIS 105 0.900 44.950 14.622 14.652 -99.200 -91.000 TYR 109 0.840 34.634 9.215 17.510 -99.200 -91.000 PHE 131 1.000 31.578 14.819 3.913 -99.200 -91.000 TYR 132 0.840 35.547 12.354 4.226 -99.200 -91.000 TRP 135 1.040 35.103 19.140 7.783 -99.200 -91.000 TRP6 135 1.020 37.316 18.639 8.471 -99.200 -91.000 TRP 139 1.040 36.424 23.356 17.122 -99.200 -91.000 TRP6 139 1.020 35.128 21.390 17.193 -99.200 -91.000 TYR 147 0.840 29.070 9.618 17.131 -99.200 -91.000 PHE 155 1.000 41.495 4.048 12.090 -99.200 -91.000 PHE 167 1.000 35.670 -1.860 7.438 -99.200 -91.000 PHE 176 1.000 33.278 -9.742 11.448 -99.200 -91.000 HIS 183 0.900 26.652 -18.721 13.180 -99.200 -91.000 TRP 185 1.040 26.328 -13.004 9.315 -99.200 -91.000 TRP6 185 1.020 27.699 -14.548 8.169 -99.200 -91.000 TYR 196 0.840 18.976 -8.324 9.532 -99.200 -91.000 TRP 198 1.040 11.725 -8.277 10.049 -99.200 -91.000 TRP6 198 1.020 12.109 -6.823 8.220 -99.200 -91.000 TYR 200 0.840 9.480 -5.109 15.426 -99.200 -91.000 HIS 207 0.900 15.853 -6.346 8.632 -99.200 -91.000 TYR 221 0.840 25.843 3.897 10.031 -99.200 -91.000 TRP 233 1.040 33.779 -7.373 19.989 -99.200 -91.000 TRP6 233 1.020 35.815 -7.405 18.774 -99.200 -91.000 TYR 259 0.840 45.066 5.677 21.065 -99.200 -91.000 TRP 260 1.040 42.641 11.950 21.420 -99.200 -91.000 TRP6 260 1.020 43.998 13.837 20.988 -99.200 -91.000 TYR 266 0.840 41.147 8.283 30.956 -99.200 -91.000 TRP 271 1.040 36.796 -1.846 22.543 -99.200 -91.000 TRP6 271 1.020 34.688 -2.685 23.210 -99.200 -91.000 TRP 276 1.040 35.966 -1.442 38.714 -99.200 -91.000 TRP6 276 1.020 33.618 -1.272 38.491 -99.200 -91.000 TRP 305 1.040 31.724 0.947 32.246 -99.200 -91.000 TRP6 305 1.020 30.345 -0.501 33.505 -99.200 -91.000 HIS 307 0.900 30.846 3.086 28.248 -99.200 -91.000 PHE 315 1.000 17.770 -4.516 15.038 -99.200 -91.000 TYR 318 0.840 26.468 -0.150 27.790 -99.200 -91.000 PHE 321 1.000 35.895 -4.985 27.521 -99.200 -91.000 TYR 337 0.840 17.086 -0.183 25.627 -99.200 -91.000 TRP 347 1.040 27.746 0.656 38.116 -99.200 -91.000 TRP6 347 1.020 26.672 0.624 40.217 -99.200 -91.000