============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 8 0.840 21.450 18.026 30.362 -99.200 -91.000 HIS 11 0.900 18.404 18.834 37.179 -99.200 -91.000 TYR 21 0.840 8.240 19.721 32.732 -99.200 -91.000 TYR 23 0.840 5.841 29.161 27.842 -99.200 -91.000 TYR 24 0.840 10.596 27.289 29.587 -99.200 -91.000 PHE 41 1.000 13.277 13.590 13.816 -99.200 -91.000 TRP 44 1.040 11.131 9.392 8.234 -99.200 -91.000 TRP6 44 1.020 11.310 9.268 5.883 -99.200 -91.000 TYR 47 0.840 17.361 0.747 5.201 -99.200 -91.000 HIS 84 0.900 21.042 29.875 34.990 -99.200 -91.000 TRP 107 1.040 6.549 37.198 21.707 -99.200 -91.000 TRP6 107 1.020 5.042 35.405 21.345 -99.200 -91.000 TRP 125 1.040 20.931 33.126 11.975 -99.200 -91.000 TRP6 125 1.020 21.195 31.040 13.035 -99.200 -91.000 TYR 129 0.840 5.945 35.361 17.374 -99.200 -91.000 TYR 131 0.840 5.060 42.336 18.589 -99.200 -91.000 TYR 149 0.840 20.810 39.769 16.943 -99.200 -91.000 PHE 153 1.000 16.029 31.536 10.944 -99.200 -91.000 TYR 160 0.840 -6.567 34.979 15.822 -99.200 -91.000 PHE 172 1.000 3.545 31.366 30.814 -99.200 -91.000 PHE 183 1.000 8.308 43.628 22.137 -99.200 -91.000 TYR 188 0.840 2.726 39.821 24.177 -99.200 -91.000 TRP 199 1.040 1.461 34.082 0.940 -99.200 -91.000 TRP6 199 1.020 3.660 33.353 1.401 -99.200 -91.000 TRP 204 1.040 6.169 46.577 5.564 -99.200 -91.000 TRP6 204 1.020 6.784 45.597 7.612 -99.200 -91.000 HIS 228 0.900 5.207 36.254 -2.108 -99.200 -91.000 HIS 238 0.900 5.115 28.544 17.301 -99.200 -91.000 PHE 267 1.000 17.895 26.660 7.221 -99.200 -91.000 PHE 290 1.000 17.485 26.692 12.992 -99.200 -91.000 TRP 297 1.040 13.806 20.069 28.327 -99.200 -91.000 TRP6 297 1.020 11.978 21.195 29.286 -99.200 -91.000 PHE 301 1.000 22.895 19.913 35.249 -99.200 -91.000 PHE 318 1.000 25.205 15.198 12.497 -99.200 -91.000