============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. PHE 9 1.000 6.081 -30.270 -2.352 -99.200 -91.000 TYR 18 0.840 30.528 -27.461 -4.974 -99.200 -91.000 PHE 22 1.000 33.114 -27.666 -9.718 -99.200 -91.000 TYR 28 0.840 24.224 -18.029 -0.950 -99.200 -91.000 PHE 31 1.000 24.834 -31.872 -8.489 -99.200 -91.000 PHE 45 1.000 18.804 -28.888 -10.468 -99.200 -91.000 HIS 47 0.900 18.540 -23.486 -6.609 -99.200 -91.000 PHE 56 1.000 20.210 -32.845 -12.282 -99.200 -91.000 TYR 66 0.840 0.136 -42.923 -16.725 -99.200 -91.000 TYR 74 0.840 23.953 -38.034 -9.154 -99.200 -91.000 TYR 82 0.840 25.308 -37.381 -18.861 -99.200 -91.000 PHE 88 1.000 30.837 -30.581 -12.965 -99.200 -91.000 TYR 92 0.840 19.319 -19.783 -8.226 -99.200 -91.000 TYR 103 0.840 10.144 -10.710 1.284 -99.200 -91.000 TYR 105 0.840 14.731 -8.733 -6.495 -99.200 -91.000 HIS 106 0.900 13.875 -13.800 -12.626 -99.200 -91.000 TYR 111 0.840 20.800 -11.931 -13.880 -99.200 -91.000 PHE 117 1.000 28.464 -24.739 -10.440 -99.200 -91.000 TYR 124 0.840 36.646 -30.803 -11.920 -99.200 -91.000 HIS 135 0.900 11.955 -27.406 -10.966 -99.200 -91.000 TYR 148 0.840 24.601 -8.479 -15.931 -99.200 -91.000 TYR 149 0.840 27.890 -12.202 -16.187 -99.200 -91.000 TRP 152 1.040 22.557 -16.301 -24.851 -99.200 -91.000 TRP6 152 1.020 20.903 -17.928 -24.484 -99.200 -91.000 PHE 158 1.000 18.093 -22.788 -20.791 -99.200 -91.000 TYR 169 0.840 -0.448 -16.237 -17.408 -99.200 -91.000 TYR 172 0.840 -1.752 -11.776 -14.793 -99.200 -91.000 TYR 173 0.840 -5.519 -11.783 -4.769 -99.200 -91.000 TYR 176 0.840 2.337 -2.762 -11.442 -99.200 -91.000 TYR 189 0.840 11.389 4.307 -15.361 -99.200 -91.000 TYR 190 0.840 14.474 4.603 -11.391 -99.200 -91.000 TYR 193 0.840 20.658 -7.129 -18.577 -99.200 -91.000 PHE 195 1.000 13.829 -11.141 -15.305 -99.200 -91.000 PHE 197 1.000 9.563 -16.128 -12.049 -99.200 -91.000 PHE 198 1.000 1.759 -8.402 -12.609 -99.200 -91.000 TRP 202 1.040 -3.986 -4.384 -22.510 -99.200 -91.000 TRP6 202 1.020 -4.119 -2.126 -21.860 -99.200 -91.000 TYR 203 0.840 -2.787 -6.557 -12.237 -99.200 -91.000 TYR 204 0.840 -8.013 -6.934 -12.596 -99.200 -91.000 TRP 207 1.040 0.244 -3.713 -22.359 -99.200 -91.000 TRP6 207 1.020 2.571 -3.704 -22.516 -99.200 -91.000 TRP 212 1.040 13.910 -9.310 -18.478 -99.200 -91.000 TRP6 212 1.020 15.896 -10.433 -19.121 -99.200 -91.000 PHE 233 1.000 17.197 -22.193 -26.499 -99.200 -91.000 TYR 234 0.840 16.513 -30.626 -26.130 -99.200 -91.000 PHE 240 1.000 -4.942 -24.841 -18.358 -99.200 -91.000 PHE 251 1.000 -5.351 -11.498 -14.670 -99.200 -91.000 TRP 252 1.040 -7.724 -22.188 -15.756 -99.200 -91.000 TRP6 252 1.020 -6.630 -23.271 -13.984 -99.200 -91.000 PHE 261 1.000 12.340 -21.792 -24.496 -99.200 -91.000 TYR 285 0.840 -0.691 -18.405 -2.574 -99.200 -91.000 TRP 287 1.040 3.484 -16.287 -6.114 -99.200 -91.000 TRP6 287 1.020 5.443 -17.584 -5.814 -99.200 -91.000 TYR 293 0.840 7.250 -25.162 -1.330 -99.200 -91.000 HIS 306 0.900 7.157 -24.896 -10.190 -99.200 -91.000 PHE 307 1.000 9.056 -27.674 -6.069 -99.200 -91.000 TYR 334 0.840 7.523 -39.493 -18.196 -99.200 -91.000 TYR 342 0.840 3.892 -26.340 -22.727 -99.200 -91.000