============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 22 0.900 51.736 36.843 11.406 -99.200 -91.000 PHE 24 1.000 45.066 35.480 19.726 -99.200 -91.000 PHE 29 1.000 43.551 31.632 11.767 -99.200 -91.000 PHE 46 1.000 46.166 33.625 1.963 -99.200 -91.000 TYR 59 0.840 42.764 42.057 20.740 -99.200 -91.000 TRP 71 1.040 41.874 42.589 34.275 -99.200 -91.000 TRP6 71 1.020 41.701 43.960 36.196 -99.200 -91.000 HIS 93 0.900 50.503 26.637 48.463 -99.200 -91.000 TYR 95 0.840 51.076 34.078 39.501 -99.200 -91.000 TYR 96 0.840 55.327 27.915 37.974 -99.200 -91.000 PHE 99 1.000 47.997 34.202 29.107 -99.200 -91.000 TYR 101 0.840 45.354 29.006 20.681 -99.200 -91.000 HIS 103 0.900 56.030 33.755 23.411 -99.200 -91.000 PHE 124 1.000 42.099 27.081 39.516 -99.200 -91.000 TYR 127 0.840 38.926 29.233 28.797 -99.200 -91.000 TYR 130 0.840 36.555 19.806 29.460 -99.200 -91.000 TYR 143 0.840 49.516 12.790 25.322 -99.200 -91.000 TYR 145 0.840 56.993 20.394 27.888 -99.200 -91.000 TYR 146 0.840 55.551 16.726 31.186 -99.200 -91.000 TRP 157 1.040 52.181 17.558 35.566 -99.200 -91.000 TRP6 157 1.020 51.449 19.752 35.054 -99.200 -91.000 TRP 163 1.040 36.963 26.461 37.862 -99.200 -91.000 TRP6 163 1.020 36.814 28.793 38.230 -99.200 -91.000 HIS 166 0.900 34.234 27.756 44.801 -99.200 -91.000 HIS 167 0.900 31.502 28.124 48.323 -99.200 -91.000 PHE 173 1.000 30.193 34.887 36.918 -99.200 -91.000 HIS 176 0.900 31.990 41.947 39.876 -99.200 -91.000 HIS 183 0.900 26.671 51.391 38.855 -99.200 -91.000 PHE 184 1.000 20.227 48.681 33.972 -99.200 -91.000 PHE 196 1.000 22.694 35.270 33.755 -99.200 -91.000 HIS 199 0.900 33.565 32.349 21.466 -99.200 -91.000 TYR 212 0.840 30.916 27.035 26.562 -99.200 -91.000 TYR 229 0.840 14.969 31.614 40.311 -99.200 -91.000 TYR 233 0.840 17.200 33.138 33.859 -99.200 -91.000 TRP 237 1.040 24.257 30.283 23.564 -99.200 -91.000 TRP6 237 1.020 25.467 29.085 25.204 -99.200 -91.000 TRP 246 1.040 29.468 29.432 14.673 -99.200 -91.000 TRP6 246 1.020 31.248 29.787 16.191 -99.200 -91.000 PHE 273 1.000 38.172 34.887 29.318 -99.200 -91.000 HIS 277 0.900 36.832 38.004 27.266 -99.200 -91.000 TYR 282 0.840 35.368 45.187 18.218 -99.200 -91.000 TYR 288 0.840 27.259 41.974 20.061 -99.200 -91.000 PHE 313 1.000 38.028 34.796 39.711 -99.200 -91.000 HIS 322 0.900 42.703 24.232 52.004 -99.200 -91.000 HIS 324 0.900 42.975 19.251 42.377 -99.200 -91.000 PHE 353 1.000 50.310 14.049 31.625 -99.200 -91.000 PHE 354 1.000 45.953 16.236 33.348 -99.200 -91.000