============================================================================= 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 27.339 1.546 1.168 -99.200 -91.000 PHE 34 1.000 33.461 2.941 10.097 -99.200 -91.000 TRP 42 1.040 43.836 -3.106 6.549 -99.200 -91.000 TRP6 42 1.020 44.400 -2.219 4.466 -99.200 -91.000 PHE 44 1.000 46.456 1.940 0.492 -99.200 -91.000 TYR 59 0.840 48.740 7.077 11.285 -99.200 -91.000 TRP 75 1.040 49.325 -4.858 9.840 -99.200 -91.000 TRP6 75 1.020 47.902 -4.816 7.997 -99.200 -91.000 TYR 79 0.840 40.636 -7.977 4.068 -99.200 -91.000 TYR 89 0.840 53.855 3.414 13.607 -99.200 -91.000 PHE 115 1.000 42.751 -4.207 0.463 -99.200 -91.000 PHE 129 1.000 31.437 -10.807 17.961 -99.200 -91.000 PHE 143 1.000 36.365 3.594 17.220 -99.200 -91.000 PHE 144 1.000 30.912 -2.243 19.663 -99.200 -91.000 PHE 156 1.000 28.630 -2.149 15.180 -99.200 -91.000 TYR 162 0.840 19.071 1.394 -4.792 -99.200 -91.000 HIS 163 0.900 22.058 3.136 -6.649 -99.200 -91.000 TYR 168 0.840 28.557 1.977 9.365 -99.200 -91.000 PHE 170 1.000 30.786 3.228 15.919 -99.200 -91.000 PHE 172 1.000 22.823 7.551 18.656 -99.200 -91.000 TYR 178 0.840 13.775 1.376 14.742 -99.200 -91.000 TYR 184 0.840 17.344 -5.865 19.223 -99.200 -91.000 PHE 193 1.000 33.649 -14.414 10.120 -99.200 -91.000 TRP 194 1.040 29.340 -8.416 14.521 -99.200 -91.000 TRP6 194 1.020 28.134 -8.241 16.513 -99.200 -91.000 TRP 196 1.040 22.326 -13.293 10.580 -99.200 -91.000 TRP6 196 1.020 20.061 -13.389 10.029 -99.200 -91.000 TYR 201 0.840 14.389 -19.379 -0.170 -99.200 -91.000 PHE 208 1.000 10.125 -17.028 5.217 -99.200 -91.000 TYR 225 0.840 29.064 -13.449 -2.290 -99.200 -91.000 TYR 234 0.840 16.554 -13.062 -7.273 -99.200 -91.000 TRP 235 1.040 20.243 -14.946 -9.824 -99.200 -91.000 TRP6 235 1.020 19.777 -12.833 -10.700 -99.200 -91.000 TYR 250 0.840 22.808 -18.241 -10.973 -99.200 -91.000 PHE 252 1.000 20.131 -8.712 -14.122 -99.200 -91.000 PHE 261 1.000 16.331 -13.760 -1.264 -99.200 -91.000 PHE 263 1.000 17.324 -10.310 5.140 -99.200 -91.000 TYR 276 0.840 17.610 -1.737 -2.158 -99.200 -91.000 PHE 279 1.000 25.229 -5.056 -6.651 -99.200 -91.000 PHE 288 1.000 28.260 -10.167 -10.806 -99.200 -91.000 PHE 302 1.000 21.897 -13.306 5.185 -99.200 -91.000 PHE 311 1.000 18.449 1.273 12.942 -99.200 -91.000 PHE 314 1.000 26.206 -5.175 12.979 -99.200 -91.000 PHE 324 1.000 19.099 -8.444 10.360 -99.200 -91.000