============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TYR 11 0.840 26.525 13.579 54.552 -99.200 -91.000 PHE 25 1.000 22.715 11.084 59.147 -99.200 -91.000 HIS 51 0.900 33.111 17.421 75.061 -99.200 -91.000 TYR 55 0.840 22.614 17.470 73.946 -99.200 -91.000 PHE 60 1.000 17.743 14.852 79.201 -99.200 -91.000 PHE 62 1.000 16.316 21.681 70.162 -99.200 -91.000 PHE 66 1.000 12.268 18.624 68.451 -99.200 -91.000 TYR 67 0.840 3.349 19.221 57.942 -99.200 -91.000 PHE 76 1.000 8.953 -2.338 72.701 -99.200 -91.000 PHE 81 1.000 15.849 -3.564 84.483 -99.200 -91.000 HIS 82 0.900 11.624 -5.086 90.323 -99.200 -91.000 PHE 87 1.000 15.095 5.410 81.863 -99.200 -91.000 TYR 94 0.840 12.408 16.367 80.348 -99.200 -91.000 PHE 95 1.000 13.454 11.796 75.381 -99.200 -91.000 HIS 101 0.900 6.869 -3.620 82.446 -99.200 -91.000 PHE 104 1.000 13.679 -7.380 75.906 -99.200 -91.000 TYR 113 0.840 4.643 -6.035 72.040 -99.200 -91.000 TRP 117 1.040 5.876 1.139 69.032 -99.200 -91.000 TRP6 117 1.020 7.663 2.508 68.303 -99.200 -91.000 PHE 135 1.000 15.194 -8.303 70.740 -99.200 -91.000 TYR 140 0.840 18.554 -7.360 83.014 -99.200 -91.000 TYR 148 0.840 4.997 8.276 57.977 -99.200 -91.000 PHE 149 1.000 7.740 15.173 55.203 -99.200 -91.000 TRP 153 1.040 7.291 17.212 45.445 -99.200 -91.000 TRP6 153 1.020 9.233 17.454 46.774 -99.200 -91.000 PHE 157 1.000 8.879 17.764 40.513 -99.200 -91.000 PHE 165 1.000 15.852 14.414 30.788 -99.200 -91.000 PHE 167 1.000 22.321 10.440 38.753 -99.200 -91.000 TYR 181 0.840 10.100 20.904 33.073 -99.200 -91.000 PHE 186 1.000 9.788 24.431 42.812 -99.200 -91.000 TYR 187 0.840 11.616 29.988 49.222 -99.200 -91.000 TYR 188 0.840 19.256 28.782 41.370 -99.200 -91.000 PHE 191 1.000 24.726 29.335 48.617 -99.200 -91.000 TYR 199 0.840 27.735 25.063 46.736 -99.200 -91.000 TYR 206 0.840 8.403 17.892 51.276 -99.200 -91.000 TRP 239 1.040 24.335 25.694 51.401 -99.200 -91.000 TRP6 239 1.020 24.512 23.395 51.921 -99.200 -91.000 TYR 251 0.840 14.573 19.280 32.870 -99.200 -91.000 PHE 255 1.000 15.749 10.641 45.299 -99.200 -91.000 PHE 276 1.000 27.848 2.253 72.092 -99.200 -91.000 PHE 292 1.000 27.438 -4.418 78.202 -99.200 -91.000 HIS 298 0.900 19.101 6.300 62.206 -99.200 -91.000 PHE 301 1.000 11.064 3.831 51.625 -99.200 -91.000