============================================================================= 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 -5.741 14.273 22.115 -99.200 -91.000 TYR 10 0.840 -6.163 18.988 14.770 -99.200 -91.000 TYR 17 0.840 15.087 18.895 14.861 -99.200 -91.000 HIS 38 0.900 9.596 15.890 13.923 -99.200 -91.000 TYR 40 0.840 6.704 11.879 12.166 -99.200 -91.000 HIS 43 0.900 17.922 11.454 12.038 -99.200 -91.000 PHE 57 1.000 5.098 14.097 2.159 -99.200 -91.000 HIS 60 0.900 3.406 10.831 11.638 -99.200 -91.000 PHE 76 1.000 10.673 5.434 -5.947 -99.200 -91.000 TYR 81 0.840 19.353 12.350 -15.191 -99.200 -91.000 HIS 101 0.900 18.961 23.374 -15.644 -99.200 -91.000 PHE 103 1.000 10.171 16.325 -7.885 -99.200 -91.000 HIS 105 0.900 11.936 24.351 -9.089 -99.200 -91.000 HIS 107 0.900 11.981 29.484 -11.279 -99.200 -91.000 PHE 109 1.000 8.430 29.766 -3.795 -99.200 -91.000 TYR 114 0.840 24.726 21.764 -10.407 -99.200 -91.000 PHE 124 1.000 29.123 20.750 -8.616 -99.200 -91.000 PHE 130 1.000 16.329 28.117 5.214 -99.200 -91.000 PHE 135 1.000 11.923 31.131 3.744 -99.200 -91.000 HIS 147 0.900 -2.452 35.744 8.375 -99.200 -91.000 PHE 148 1.000 2.671 34.253 1.187 -99.200 -91.000 TYR 150 0.840 -4.831 31.253 -4.224 -99.200 -91.000 PHE 169 1.000 29.003 30.666 -16.630 -99.200 -91.000 TRP 172 1.040 21.804 26.529 -13.983 -99.200 -91.000 TRP6 172 1.020 22.416 24.277 -14.405 -99.200 -91.000 PHE 173 1.000 15.782 31.558 -14.895 -99.200 -91.000 PHE 186 1.000 3.442 19.798 -3.358 -99.200 -91.000 PHE 188 1.000 -1.171 30.287 -1.206 -99.200 -91.000 PHE 194 1.000 -4.852 24.998 10.581 -99.200 -91.000 TRP 209 1.040 1.454 28.702 11.698 -99.200 -91.000 TRP6 209 1.020 -0.713 28.043 11.021 -99.200 -91.000 TRP 210 1.040 6.904 29.524 3.329 -99.200 -91.000 TRP6 210 1.020 7.161 31.440 1.966 -99.200 -91.000 TYR 212 0.840 8.878 26.200 14.245 -99.200 -91.000 TRP 213 1.040 7.725 23.102 5.933 -99.200 -91.000 TRP6 213 1.020 6.360 23.674 4.075 -99.200 -91.000 PHE 214 1.000 10.005 26.624 2.611 -99.200 -91.000 PHE 219 1.000 6.249 18.351 10.453 -99.200 -91.000 TYR 221 0.840 2.373 19.714 15.749 -99.200 -91.000 HIS 222 0.900 6.766 24.287 20.353 -99.200 -91.000 TRP 225 1.040 0.944 23.582 10.531 -99.200 -91.000 TRP6 225 1.020 1.649 21.340 10.866 -99.200 -91.000 HIS 226 0.900 -4.833 21.809 13.184 -99.200 -91.000 PHE 236 1.000 -5.816 24.190 -0.627 -99.200 -91.000 PHE 272 1.000 15.497 13.541 -16.074 -99.200 -91.000 PHE 279 1.000 23.802 19.160 -15.500 -99.200 -91.000 TYR 287 0.840 19.394 24.677 7.622 -99.200 -91.000 TYR 288 0.840 22.903 20.743 12.731 -99.200 -91.000