============================================================================= 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. TYR 17 0.840 27.271 1.516 1.230 -99.200 -91.000 PHE 34 1.000 33.560 2.965 10.150 -99.200 -91.000 TRP 42 1.040 43.921 -3.154 6.554 -99.200 -91.000 TRP6 42 1.020 44.484 -2.276 4.487 -99.200 -91.000 PHE 44 1.000 46.489 1.904 0.531 -99.200 -91.000 TYR 59 0.840 48.731 6.973 11.247 -99.200 -91.000 TRP 75 1.040 49.357 -4.886 9.793 -99.200 -91.000 TRP6 75 1.020 47.928 -4.820 7.964 -99.200 -91.000 TYR 79 0.840 40.787 -8.137 4.216 -99.200 -91.000 TYR 89 0.840 53.975 3.356 13.616 -99.200 -91.000 PHE 115 1.000 42.799 -4.286 0.516 -99.200 -91.000 PHE 129 1.000 31.446 -10.747 18.049 -99.200 -91.000 PHE 143 1.000 36.464 3.577 17.298 -99.200 -91.000 PHE 144 1.000 30.933 -2.306 19.839 -99.200 -91.000 PHE 156 1.000 28.762 -2.153 15.306 -99.200 -91.000 TYR 162 0.840 19.020 1.396 -4.761 -99.200 -91.000 HIS 163 0.900 22.107 3.132 -6.476 -99.200 -91.000 TYR 168 0.840 28.650 1.969 9.416 -99.200 -91.000 PHE 170 1.000 30.888 3.180 16.028 -99.200 -91.000 PHE 172 1.000 22.891 7.577 18.761 -99.200 -91.000 TYR 178 0.840 13.830 1.378 14.692 -99.200 -91.000 TYR 184 0.840 17.433 -5.854 19.427 -99.200 -91.000 PHE 193 1.000 33.798 -14.420 10.282 -99.200 -91.000 TRP 194 1.040 29.404 -8.427 14.572 -99.200 -91.000 TRP6 194 1.020 28.178 -8.203 16.524 -99.200 -91.000 TRP 196 1.040 22.283 -13.174 10.611 -99.200 -91.000 TRP6 196 1.020 20.047 -13.232 10.063 -99.200 -91.000 TYR 201 0.840 14.344 -19.372 -0.165 -99.200 -91.000 PHE 208 1.000 10.093 -16.911 5.234 -99.200 -91.000 TYR 225 0.840 28.927 -13.398 -2.241 -99.200 -91.000 TYR 234 0.840 16.437 -13.025 -7.122 -99.200 -91.000 TRP 235 1.040 20.160 -14.950 -9.811 -99.200 -91.000 TRP6 235 1.020 19.818 -12.807 -10.666 -99.200 -91.000 TYR 250 0.840 22.733 -18.191 -10.954 -99.200 -91.000 PHE 252 1.000 20.019 -8.591 -14.153 -99.200 -91.000 PHE 261 1.000 16.335 -13.716 -1.176 -99.200 -91.000 PHE 263 1.000 17.505 -10.281 5.247 -99.200 -91.000 TYR 276 0.840 17.592 -1.648 -2.070 -99.200 -91.000 PHE 279 1.000 25.245 -4.947 -6.607 -99.200 -91.000 PHE 288 1.000 28.280 -10.123 -10.791 -99.200 -91.000 PHE 302 1.000 21.815 -13.302 5.301 -99.200 -91.000 PHE 311 1.000 18.607 1.389 12.983 -99.200 -91.000 PHE 314 1.000 26.156 -5.038 12.862 -99.200 -91.000 PHE 324 1.000 19.189 -8.353 10.421 -99.200 -91.000