============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 72 rings ring int. center anis. iso. PHE 10 1.000 23.485 49.095 6.731 -99.200 -91.000 TYR 14 0.840 22.671 55.849 10.521 -99.200 -91.000 PHE 29 1.000 36.712 49.835 2.718 -99.200 -91.000 HIS 36 0.900 34.063 45.249 -5.954 -99.200 -91.000 PHE 37 1.000 37.365 41.444 -2.508 -99.200 -91.000 PHE 63 1.000 53.040 17.988 4.952 -99.200 -91.000 TRP 75 1.040 58.812 31.074 -1.055 -99.200 -91.000 TRP6 75 1.020 57.140 31.660 0.520 -99.200 -91.000 PHE 111 1.000 43.183 44.441 23.759 -99.200 -91.000 PHE 115 1.000 35.269 43.905 16.863 -99.200 -91.000 TRP 123 1.040 23.650 46.595 15.610 -99.200 -91.000 TRP6 123 1.020 24.744 46.300 13.520 -99.200 -91.000 TYR 143 0.840 34.140 51.769 32.615 -99.200 -91.000 TYR 151 0.840 39.426 51.463 35.848 -99.200 -91.000 HIS 168 0.900 32.697 30.013 11.497 -99.200 -91.000 HIS 173 0.900 22.253 42.007 14.230 -99.200 -91.000 TRP 176 1.040 24.846 42.228 -2.201 -99.200 -91.000 TRP6 176 1.020 26.298 40.615 -3.181 -99.200 -91.000 PHE 186 1.000 29.581 45.184 11.001 -99.200 -91.000 PHE 188 1.000 39.876 44.531 5.945 -99.200 -91.000 TYR 191 0.840 41.441 48.070 14.058 -99.200 -91.000 PHE 192 1.000 41.954 49.791 5.468 -99.200 -91.000 PHE 193 1.000 35.857 54.735 6.319 -99.200 -91.000 HIS 194 0.900 34.755 54.341 11.430 -99.200 -91.000 TYR 196 0.840 42.893 54.709 5.883 -99.200 -91.000 TYR 207 0.840 50.249 46.613 12.726 -99.200 -91.000 PHE 208 1.000 42.353 44.265 10.100 -99.200 -91.000 TYR 209 0.840 46.744 37.510 16.263 -99.200 -91.000 TRP 216 1.040 46.374 26.755 -1.760 -99.200 -91.000 TRP6 216 1.020 45.952 28.253 -3.556 -99.200 -91.000 TRP 221 1.040 37.564 36.079 -0.054 -99.200 -91.000 TRP6 221 1.020 37.202 36.845 2.157 -99.200 -91.000 TRP 222 1.040 41.100 36.339 5.398 -99.200 -91.000 TRP6 222 1.020 39.886 38.242 6.152 -99.200 -91.000 PHE 226 1.000 44.113 41.311 5.016 -99.200 -91.000 TYR 228 0.840 37.954 46.925 -3.495 -99.200 -91.000 PHE 233 1.000 39.805 54.026 2.002 -99.200 -91.000 PHE 253 1.000 48.096 17.429 7.076 -99.200 -91.000 HIS 260 0.900 53.713 31.724 -3.066 -99.200 -91.000 HIS 265 0.900 48.274 42.139 1.986 -99.200 -91.000 TRP 274 1.040 41.212 24.683 25.208 -99.200 -91.000 TRP6 274 1.020 41.721 22.500 26.012 -99.200 -91.000 TYR 276 0.840 46.135 21.106 15.150 -99.200 -91.000 PHE 278 1.000 35.300 22.808 17.085 -99.200 -91.000 TYR 280 0.840 43.088 14.223 15.463 -99.200 -91.000 TYR 287 0.840 39.190 8.947 8.607 -99.200 -91.000 PHE 304 1.000 47.355 15.007 18.490 -99.200 -91.000 TYR 308 0.840 49.449 22.852 15.854 -99.200 -91.000 HIS 317 0.900 61.262 30.994 13.775 -99.200 -91.000 PHE 322 1.000 57.758 38.038 15.278 -99.200 -91.000 PHE 330 1.000 46.835 28.360 34.092 -99.200 -91.000 HIS 338 0.900 44.649 28.323 41.829 -99.200 -91.000 HIS 358 0.900 55.709 28.409 19.422 -99.200 -91.000 TRP 362 1.040 48.153 35.061 21.765 -99.200 -91.000 TRP6 362 1