============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. HIS 6 0.900 20.903 5.149 5.423 -99.200 -91.000 TYR 23 0.840 28.137 -3.234 7.285 -99.200 -91.000 TYR 25 0.840 33.338 1.840 12.055 -99.200 -91.000 TRP 27 1.040 37.437 9.615 6.223 -99.200 -91.000 TRP6 27 1.020 38.682 11.640 6.230 -99.200 -91.000 TYR 31 0.840 24.357 8.362 9.914 -99.200 -91.000 PHE 32 1.000 27.816 1.138 10.679 -99.200 -91.000 PHE 36 1.000 14.267 -5.004 15.621 -99.200 -91.000 PHE 45 1.000 29.472 -2.555 18.831 -99.200 -91.000 PHE 52 1.000 31.055 2.284 17.975 -99.200 -91.000 TYR 72 0.840 25.635 -3.343 23.705 -99.200 -91.000 HIS 75 0.900 11.155 -2.367 19.193 -99.200 -91.000 PHE 92 1.000 27.180 -2.537 13.467 -99.200 -91.000 PHE 95 1.000 22.186 -2.177 13.516 -99.200 -91.000 TYR 96 0.840 24.434 -10.962 12.549 -99.200 -91.000 PHE 115 1.000 28.214 19.967 8.227 -99.200 -91.000 PHE 120 1.000 38.214 25.493 15.427 -99.200 -91.000 TYR 124 0.840 41.424 18.843 19.998 -99.200 -91.000 PHE 139 1.000 39.029 7.502 22.586 -99.200 -91.000 PHE 148 1.000 30.767 22.875 12.658 -99.200 -91.000 PHE 156 1.000 18.148 22.363 7.238 -99.200 -91.000 TYR 160 0.840 25.265 12.883 10.340 -99.200 -91.000 PHE 168 1.000 46.023 15.868 9.091 -99.200 -91.000 TYR 174 0.840 49.046 23.701 16.544 -99.200 -91.000 TYR 187 0.840 37.203 14.993 0.390 -99.200 -91.000 TYR 189 0.840 43.888 7.932 -0.644 -99.200 -91.000 TYR 198 0.840 33.175 7.022 0.162 -99.200 -91.000 HIS 199 0.900 36.038 6.430 -6.774 -99.200 -91.000 HIS 202 0.900 23.402 4.435 -4.894 -99.200 -91.000 TRP 203 1.040 28.431 11.767 0.052 -99.200 -91.000 TRP6 203 1.020 26.747 12.209 1.651 -99.200 -91.000 PHE 217 1.000 46.310 31.060 6.134 -99.200 -91.000 TRP 227 1.040 53.768 26.960 2.187 -99.200 -91.000 TRP6 227 1.020 53.549 25.239 3.795 -99.200 -91.000 HIS 234 0.900 48.790 35.442 3.533 -99.200 -91.000 TYR 237 0.840 43.749 28.760 3.004 -99.200 -91.000 TYR 241 0.840 39.062 26.476 0.994 -99.200 -91.000 PHE 244 1.000 38.721 19.546 -1.237 -99.200 -91.000 HIS 249 0.900 30.694 22.810 -10.220 -99.200 -91.000 PHE 257 1.000 31.401 23.020 -3.651 -99.200 -91.000 HIS 286 0.900 29.465 32.717 -11.274 -99.200 -91.000 PHE 293 1.000 33.754 29.491 13.420 -99.200 -91.000 TYR 298 0.840 36.917 29.628 19.925 -99.200 -91.000 HIS 302 0.900 44.521 20.250 24.515 -99.200 -91.000 TRP 303 1.040 42.301 28.175 25.952 -99.200 -91.000 TRP6 303 1.020 40.985 29.961 26.783 -99.200 -91.000 HIS 304 0.900 40.798 22.682 19.636 -99.200 -91.000 HIS 320 0.900 23.991 30.678 4.601 -99.200 -91.000 TRP 328 1.040 17.539 20.794 1.810 -99.200 -91.000 TRP6 328 1.020 19.660 20.071 2.575 -99.200 -91.000