============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 2 1.000 -5.229 -27.736 -43.202 -99.200 -91.000 HIS 18 0.900 32.027 0.031 -36.524 -99.200 -91.000 HIS 29 0.900 27.502 3.708 -24.376 -99.200 -91.000 PHE 32 1.000 35.425 -1.585 -32.492 -99.200 -91.000 PHE 33 1.000 26.360 -2.017 -30.991 -99.200 -91.000 HIS 46 0.900 8.280 -20.663 -42.869 -99.200 -91.000 TYR 77 0.840 5.734 -20.335 -28.224 -99.200 -91.000 PHE 88 1.000 21.208 -23.730 -19.843 -99.200 -91.000 PHE 101 1.000 26.488 -2.231 -18.175 -99.200 -91.000 HIS 108 0.900 19.814 -9.944 -20.878 -99.200 -91.000 HIS 124 0.900 2.700 -23.589 -39.061 -99.200 -91.000 TYR 147 0.840 18.525 6.978 -24.283 -99.200 -91.000 PHE 149 1.000 23.317 7.875 -24.434 -99.200 -91.000 PHE 150 1.000 25.430 16.014 -21.093 -99.200 -91.000 TYR 161 0.840 35.339 6.133 -28.933 -99.200 -91.000 TRP 171 1.040 21.619 10.929 -36.194 -99.200 -91.000 TRP6 171 1.020 21.736 11.434 -33.886 -99.200 -91.000 TYR 172 0.840 22.843 9.228 -41.152 -99.200 -91.000 HIS 176 0.900 29.846 9.126 -35.826 -99.200 -91.000 TYR 193 0.840 11.629 18.191 -35.562 -99.200 -91.000 TYR 196 0.840 17.001 9.100 -37.151 -99.200 -91.000 PHE 198 1.000 13.618 10.453 -32.554 -99.200 -91.000 PHE 201 1.000 14.134 15.281 -29.355 -99.200 -91.000 PHE 224 1.000 13.567 20.149 -30.495 -99.200 -91.000 TRP 237 1.040 21.237 13.765 -9.898 -99.200 -91.000 TRP6 237 1.020 19.427 14.574 -11.159 -99.200 -91.000 TYR 248 0.840 16.228 24.904 -12.597 -99.200 -91.000 TYR 255 0.840 9.414 9.866 -18.681 -99.200 -91.000 PHE 266 1.000 14.507 5.207 4.776 -99.200 -91.000 PHE 275 1.000 11.974 12.806 -7.967 -99.200 -91.000 TRP 292 1.040 6.857 -10.606 -13.232 -99.200 -91.000 TRP6 292 1.020 5.163 -9.102 -13.854 -99.200 -91.000 HIS 297 0.900 8.478 -6.013 -1.696 -99.200 -91.000 HIS 312 0.900 16.370 -6.440 -26.204 -99.200 -91.000 PHE 313 1.000 15.143 -5.091 -17.841 -99.200 -91.000 TRP 314 1.040 10.981 -6.490 -17.411 -99.200 -91.000 TRP6 314 1.020 9.645 -7.000 -15.519 -99.200 -91.000 HIS 327 0.900 -5.383 -0.352 -20.804 -99.200 -91.000 PHE 329 1.000 -2.690 -3.776 -11.209 -99.200 -91.000 TRP 333 1.040 5.249 -1.662 -21.276 -99.200 -91.000 TRP6 333 1.020 5.849 -1.364 -23.520 -99.200 -91.000 HIS 336 0.900 17.018 -0.174 -20.562 -99.200 -91.000 HIS 340 0.900 18.186 -1.034 -30.575 -99.200 -91.000 PHE 341 1.000 24.448 -4.699 -34.702 -99.200 -91.000 PHE 348 1.000 13.076 -1.252 -29.633 -99.200 -91.000 HIS 350 0.900 6.472 -7.343 -34.963 -99.200 -91.000 HIS 365 0.900 20.879 2.989 -26.113 -99.200 -91.000 TRP 366 1.040 17.625 2.172 -35.909 -99.200 -91.000 TRP6 366 1.020 19.274 0.602 -36.500 -99.200 -91.000 TRP 368 1.040 22.788 7.466 -29.854 -99.200 -91.000 TRP6 368 1.020 24.050 9.454 -29.832 -99.200 -91.000 PHE 380 1.000 10.600 -3.665 -38.400 -99.200 -91.000 HIS 408 0.900 31.487 -14.516 -35.660 -99.200 -91.000 TYR 411 0.840 32.234 -11.057 -29.956 -99.200 -91.000 HIS 414 0.900 38.333 -4.620 -33.515 -99.200 -91.000 TYR 427 0.840 42.451 5.802 -23.481 -99.200 -91.000 TRP 432 1.040 35.614 7.492 -13.753 -99.200 -91.000 TRP6 432 1.020 34.244 5.619 -14.334 -99.200 -91.000 PHE 434 1.000 29.179 2.363 -11.475 -99.200 -91.000