============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 9 1.000 31.404 10.265 18.151 -99.200 -91.000 TYR 25 0.840 25.058 7.302 2.712 -99.200 -91.000 TRP 40 1.040 20.456 7.515 17.505 -99.200 -91.000 TRP6 40 1.020 21.629 9.404 16.664 -99.200 -91.000 PHE 45 1.000 15.874 -3.994 32.685 -99.200 -91.000 TRP 63 1.040 5.848 11.580 21.716 -99.200 -91.000 TRP6 63 1.020 4.018 10.085 21.895 -99.200 -91.000 HIS 69 0.900 9.339 -7.695 16.574 -99.200 -91.000 TYR 73 0.840 5.054 -12.739 16.992 -99.200 -91.000 TRP 75 1.040 7.056 -16.313 19.431 -99.200 -91.000 TRP6 75 1.020 8.841 -14.911 18.767 -99.200 -91.000 PHE 79 1.000 6.381 -7.842 27.581 -99.200 -91.000 HIS 91 0.900 29.670 1.636 25.775 -99.200 -91.000 TYR 96 0.840 21.349 2.873 37.712 -99.200 -91.000 TYR 110 0.840 -0.409 6.438 22.036 -99.200 -91.000 HIS 112 0.900 -0.125 1.195 11.244 -99.200 -91.000 TYR 115 0.840 2.186 -5.955 14.999 -99.200 -91.000 TRP 117 1.040 -1.362 -9.697 15.693 -99.200 -91.000 TRP6 117 1.020 -2.346 -11.850 15.859 -99.200 -91.000 PHE 136 1.000 16.707 15.930 24.222 -99.200 -91.000 TYR 139 0.840 27.575 10.437 28.405 -99.200 -91.000 HIS 141 0.900 20.927 15.634 20.562 -99.200 -91.000 TYR 158 0.840 22.824 5.803 -1.684 -99.200 -91.000 TRP 165 1.040 23.033 -2.735 24.902 -99.200 -91.000 TRP6 165 1.020 21.469 -0.984 24.586 -99.200 -91.000 TRP 172 1.040 18.821 -21.088 21.168 -99.200 -91.000 TRP6 172 1.020 17.061 -20.604 22.671 -99.200 -91.000 PHE 210 1.000 15.043 -0.410 5.206 -99.200 -91.000 TYR 214 0.840 28.228 -6.160 3.972 -99.200 -91.000 PHE 233 1.000 19.274 0.521 7.796 -99.200 -91.000 PHE 239 1.000 21.611 14.855 -0.268 -99.200 -91.000 TRP 243 1.040 24.465 10.254 12.720 -99.200 -91.000 TRP6 243 1.020 25.242 8.253 11.705 -99.200 -91.000 TYR 244 0.840 17.409 12.970 8.483 -99.200 -91.000 TRP 251 1.040 10.144 -9.551 9.046 -99.200 -91.000 TRP6 251 1.020 10.590 -11.047 7.269 -99.200 -91.000 TYR 261 0.840 20.106 -10.681 1.520 -99.200 -91.000 PHE 263 1.000 13.038 -9.176 4.531 -99.200 -91.000 TYR 264 0.840 17.000 -3.816 9.166 -99.200 -91.000 HIS 266 0.900 10.213 3.091 3.740 -99.200 -91.000 PHE 268 1.000 8.219 9.322 3.570 -99.200 -91.000 TRP 273 1.040 0.037 5.060 13.597 -99.200 -91.000 TRP6 273 1.020 1.792 4.304 14.991 -99.200 -91.000 PHE 281 1.000 -3.713 9.758 21.198 -99.200 -91.000