============================================================================= 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. PHE 9 1.000 -46.921 2.059 7.928 -99.200 -91.000 TYR 12 0.840 -44.602 -11.178 12.849 -99.200 -91.000 TYR 28 0.840 -54.867 7.166 -3.117 -99.200 -91.000 TRP 29 1.040 -52.392 9.081 0.777 -99.200 -91.000 TRP6 29 1.020 -51.368 10.074 -1.103 -99.200 -91.000 TYR 86 0.840 -50.498 -15.057 1.630 -99.200 -91.000 TYR 87 0.840 -54.383 -20.925 -6.705 -99.200 -91.000 HIS 103 0.900 -55.407 -13.212 16.035 -99.200 -91.000 TYR 108 0.840 -57.926 -4.868 16.713 -99.200 -91.000 PHE 111 1.000 -53.791 -2.067 4.140 -99.200 -91.000 TYR 153 0.840 -57.469 -22.258 -2.408 -99.200 -91.000 PHE 154 1.000 -64.329 -26.845 -4.531 -99.200 -91.000 TYR 197 0.840 -70.435 -21.081 16.013 -99.200 -91.000 PHE 204 1.000 -65.011 -11.716 12.961 -99.200 -91.000 HIS 207 0.900 -65.636 -19.599 17.932 -99.200 -91.000 HIS 208 0.900 -63.907 -11.679 18.783 -99.200 -91.000 PHE 235 1.000 -60.478 -24.225 8.146 -99.200 -91.000 TYR 253 0.840 -52.684 -26.671 22.074 -99.200 -91.000 PHE 261 1.000 -50.097 -31.376 8.079 -99.200 -91.000 PHE 276 1.000 -38.299 -26.817 14.652 -99.200 -91.000 TYR 291 0.840 -40.529 -40.369 10.687 -99.200 -91.000 TRP 298 1.040 -36.241 -17.841 10.623 -99.200 -91.000 TRP6 298 1.020 -33.957 -17.329 11.024 -99.200 -91.000 HIS 302 0.900 -47.704 -13.401 7.950 -99.200 -91.000 HIS 323 0.900 -50.169 -17.835 10.372 -99.200 -91.000 PHE 325 1.000 -45.813 -20.524 6.836 -99.200 -91.000 PHE 326 1.000 -48.659 -29.260 3.985 -99.200 -91.000 TRP 330 1.040 -50.306 -24.916 -1.266 -99.200 -91.000 TRP6 330 1.020 -52.170 -25.099 -2.693 -99.200 -91.000 PHE 331 1.000 -49.216 -22.913 -6.085 -99.200 -91.000 PHE 333 1.000 -50.275 -20.100 -0.970 -99.200 -91.000 TYR 338 0.840 -52.272 -27.897 -0.021 -99.200 -91.000 HIS 356 0.900 -56.598 -45.096 19.838 -99.200 -91.000 PHE 358 1.000 -52.724 -35.719 14.900 -99.200 -91.000 PHE 361 1.000 -46.704 -38.803 15.328 -99.200 -91.000 PHE 380 1.000 -38.971 -5.202 19.497 -99.200 -91.000 TRP 392 1.040 -30.041 -18.021 29.463 -99.200 -91.000 TRP6 392 1.020 -32.233 -17.461 30.139 -99.200 -91.000 TYR 407 0.840 -32.363 -25.626 30.434 -99.200 -91.000 TRP 411 1.040 -39.183 -26.891 24.692 -99.200 -91.000 TRP6 411 1.020 -40.236 -24.926 23.897 -99.200 -91.000 PHE 427 1.000 -41.154 -21.242 31.017 -99.200 -91.000 PHE 442 1.000 -36.274 -19.549 30.171 -99.200 -91.000 PHE 457 1.000 -42.596 -17.480 34.297 -99.200 -91.000