============================================================================= 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 4 0.840 0.308 -29.563 -10.043 -99.200 -91.000 PHE 18 1.000 5.156 -26.581 -21.725 -99.200 -91.000 PHE 35 1.000 -0.178 -21.717 -17.400 -99.200 -91.000 TYR 44 0.840 13.831 -27.911 -14.046 -99.200 -91.000 HIS 56 0.900 -0.431 -18.448 -8.345 -99.200 -91.000 TRP 83 1.040 24.413 -9.672 -16.524 -99.200 -91.000 TRP6 83 1.020 22.332 -9.744 -17.645 -99.200 -91.000 PHE 98 1.000 6.218 -16.229 -8.715 -99.200 -91.000 PHE 109 1.000 30.098 -13.919 -7.899 -99.200 -91.000 PHE 111 1.000 31.711 -13.243 -1.288 -99.200 -91.000 TYR 134 0.840 14.649 -6.344 -8.034 -99.200 -91.000 TYR 143 0.840 2.015 -17.887 0.285 -99.200 -91.000 PHE 144 1.000 8.708 -15.661 -3.527 -99.200 -91.000 TYR 152 0.840 28.284 -17.871 -1.140 -99.200 -91.000 TYR 157 0.840 16.828 -4.913 -4.935 -99.200 -91.000 PHE 164 1.000 3.511 -15.298 4.955 -99.200 -91.000 PHE 165 1.000 10.207 -13.999 0.718 -99.200 -91.000 PHE 176 1.000 21.152 -13.747 5.015 -99.200 -91.000 PHE 178 1.000 19.443 -6.248 -1.778 -99.200 -91.000 PHE 185 1.000 11.652 -12.213 4.882 -99.200 -91.000 TYR 194 0.840 34.394 -20.210 6.891 -99.200 -91.000 TYR 206 0.840 26.926 -5.938 7.841 -99.200 -91.000 TYR 218 0.840 3.170 -3.036 9.521 -99.200 -91.000 TYR 239 0.840 26.809 -13.567 9.029 -99.200 -91.000 TRP 245 1.040 21.132 0.252 0.361 -99.200 -91.000 TRP6 245 1.020 19.606 -0.697 -1.187 -99.200 -91.000 HIS 246 0.900 19.576 5.837 5.300 -99.200 -91.000 PHE 251 1.000 16.792 12.293 -2.725 -99.200 -91.000 TYR 256 0.840 21.403 13.682 -1.676 -99.200 -91.000 PHE 267 1.000 15.643 -10.216 13.005 -99.200 -91.000 HIS 275 0.900 24.497 -16.535 13.604 -99.200 -91.000 TYR 277 0.840 27.770 -7.594 14.582 -99.200 -91.000 TRP 279 1.040 19.438 -4.107 15.934 -99.200 -91.000 TRP6 279 1.020 18.096 -4.950 14.176 -99.200 -91.000 TRP 293 1.040 30.312 6.157 8.970 -99.200 -91.000 TRP6 293 1.020 30.531 3.856 8.457 -99.200 -91.000 PHE 294 1.000 22.613 7.348 5.773 -99.200 -91.000 PHE 301 1.000 18.190 -1.310 11.717 -99.200 -91.000 PHE 302 1.000 12.046 -0.306 17.109 -99.200 -91.000 TYR 304 0.840 6.941 -9.323 21.935 -99.200 -91.000 TYR 307 0.840 13.568 -18.802 20.790 -99.200 -91.000 TYR 328 0.840 6.040 -4.428 14.130 -99.200 -91.000 TRP 337 1.040 -1.539 -11.230 -0.591 -99.200 -91.000 TRP6 337 1.020 0.795 -11.431 -0.271 -99.200 -91.000