============================================================================= 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 -5.787 14.325 22.057 -99.200 -91.000 TYR 10 0.840 -6.268 19.035 14.680 -99.200 -91.000 TYR 17 0.840 14.976 18.947 14.705 -99.200 -91.000 HIS 38 0.900 9.503 15.872 13.810 -99.200 -91.000 TYR 40 0.840 6.648 11.858 12.033 -99.200 -91.000 HIS 43 0.900 17.732 11.504 11.856 -99.200 -91.000 PHE 57 1.000 4.985 14.170 2.127 -99.200 -91.000 HIS 60 0.900 3.322 10.913 11.646 -99.200 -91.000 PHE 76 1.000 10.599 5.387 -5.962 -99.200 -91.000 TYR 81 0.840 19.131 12.382 -15.266 -99.200 -91.000 HIS 101 0.900 18.832 23.416 -15.701 -99.200 -91.000 PHE 103 1.000 10.157 16.027 -7.995 -99.200 -91.000 HIS 105 0.900 11.768 24.420 -9.125 -99.200 -91.000 HIS 107 0.900 11.816 29.572 -11.277 -99.200 -91.000 PHE 109 1.000 8.307 29.812 -3.774 -99.200 -91.000 TYR 114 0.840 24.573 21.782 -10.534 -99.200 -91.000 PHE 124 1.000 28.943 20.759 -8.798 -99.200 -91.000 PHE 130 1.000 16.281 28.174 5.149 -99.200 -91.000 PHE 135 1.000 11.817 31.274 3.754 -99.200 -91.000 HIS 147 0.900 -2.530 35.829 8.349 -99.200 -91.000 PHE 148 1.000 2.573 34.346 1.165 -99.200 -91.000 TYR 150 0.840 -4.893 31.311 -4.242 -99.200 -91.000 PHE 169 1.000 28.897 30.789 -16.682 -99.200 -91.000 TRP 172 1.040 21.640 26.668 -14.013 -99.200 -91.000 TRP6 172 1.020 22.184 24.426 -14.480 -99.200 -91.000 PHE 173 1.000 15.561 31.622 -15.043 -99.200 -91.000 PHE 186 1.000 3.265 19.868 -3.256 -99.200 -91.000 PHE 188 1.000 -1.305 30.401 -1.225 -99.200 -91.000 PHE 194 1.000 -4.959 24.929 10.284 -99.200 -91.000 TRP 209 1.040 1.328 28.722 11.625 -99.200 -91.000 TRP6 209 1.020 -0.861 28.109 10.974 -99.200 -91.000 TRP 210 1.040 6.769 29.577 3.268 -99.200 -91.000 TRP6 210 1.020 7.065 31.480 1.909 -99.200 -91.000 TYR 212 0.840 8.803 26.266 14.204 -99.200 -91.000 TRP 213 1.040 7.638 23.184 5.874 -99.200 -91.000 TRP6 213 1.020 6.269 23.765 4.052 -99.200 -91.000 PHE 214 1.000 9.887 26.703 2.532 -99.200 -91.000 PHE 219 1.000 6.201 18.465 10.395 -99.200 -91.000 TYR 221 0.840 2.303 19.776 15.667 -99.200 -91.000 HIS 222 0.900 6.940 24.479 20.081 -99.200 -91.000 TRP 225 1.040 0.837 23.612 10.462 -99.200 -91.000 TRP6 225 1.020 1.574 21.389 10.755 -99.200 -91.000 HIS 226 0.900 -4.838 21.819 13.178 -99.200 -91.000 PHE 236 1.000 -5.898 24.254 -0.688 -99.200 -91.000 PHE 272 1.000 15.243 13.575 -16.126 -99.200 -91.000 PHE 279 1.000 23.630 19.259 -15.569 -99.200 -91.000 TYR 287 0.840 19.367 24.735 7.556 -99.200 -91.000 TYR 288 0.840 22.971 20.902 12.556 -99.200 -91.000