============================================================================= 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. TYR 17 0.840 27.395 1.458 1.210 -99.200 -91.000 PHE 34 1.000 33.714 2.721 10.094 -99.200 -91.000 TRP 42 1.040 43.942 -3.254 6.416 -99.200 -91.000 TRP6 42 1.020 44.471 -2.199 4.401 -99.200 -91.000 PHE 44 1.000 46.753 1.975 0.575 -99.200 -91.000 TYR 59 0.840 48.829 6.962 11.159 -99.200 -91.000 TRP 75 1.040 49.410 -4.953 9.829 -99.200 -91.000 TRP6 75 1.020 47.966 -4.919 8.005 -99.200 -91.000 TYR 79 0.840 40.886 -8.447 4.129 -99.200 -91.000 TYR 89 0.840 53.904 3.325 13.642 -99.200 -91.000 PHE 115 1.000 42.823 -4.219 0.276 -99.200 -91.000 PHE 129 1.000 31.638 -10.939 17.954 -99.200 -91.000 PHE 143 1.000 36.505 3.466 17.164 -99.200 -91.000 PHE 144 1.000 31.038 -2.412 19.593 -99.200 -91.000 PHE 156 1.000 28.951 -2.269 15.208 -99.200 -91.000 TYR 162 0.840 19.103 1.381 -4.725 -99.200 -91.000 HIS 163 0.900 22.172 3.047 -6.605 -99.200 -91.000 TYR 168 0.840 28.763 1.845 9.393 -99.200 -91.000 PHE 170 1.000 30.729 3.016 15.930 -99.200 -91.000 PHE 172 1.000 23.038 7.503 18.618 -99.200 -91.000 TYR 178 0.840 13.995 1.316 14.803 -99.200 -91.000 TYR 184 0.840 17.468 -5.930 19.229 -99.200 -91.000 PHE 193 1.000 33.820 -14.386 10.156 -99.200 -91.000 TRP 194 1.040 29.400 -8.623 14.518 -99.200 -91.000 TRP6 194 1.020 28.189 -8.248 16.483 -99.200 -91.000 TRP 196 1.040 22.307 -13.291 10.685 -99.200 -91.000 TRP6 196 1.020 20.052 -13.340 10.108 -99.200 -91.000 TYR 201 0.840 14.209 -19.442 -0.137 -99.200 -91.000 PHE 208 1.000 9.825 -17.036 5.240 -99.200 -91.000 TYR 225 0.840 28.834 -13.605 -2.410 -99.200 -91.000 TYR 234 0.840 16.318 -12.990 -7.212 -99.200 -91.000 TRP 235 1.040 19.897 -14.965 -9.957 -99.200 -91.000 TRP6 235 1.020 19.485 -12.835 -10.832 -99.200 -91.000 TYR 250 0.840 22.605 -18.211 -10.992 -99.200 -91.000 PHE 252 1.000 19.813 -8.649 -14.111 -99.200 -91.000 PHE 261 1.000 16.179 -13.802 -1.171 -99.200 -91.000 PHE 263 1.000 17.312 -10.377 5.249 -99.200 -91.000 TYR 276 0.840 17.568 -1.614 -2.173 -99.200 -91.000 PHE 279 1.000 25.355 -5.022 -6.784 -99.200 -91.000 PHE 288 1.000 28.107 -10.180 -10.910 -99.200 -91.000 PHE 302 1.000 21.722 -13.197 5.246 -99.200 -91.000 PHE 311 1.000 18.561 1.251 12.977 -99.200 -91.000 PHE 314 1.000 26.248 -5.131 12.767 -99.200 -91.000 PHE 324 1.000 19.127 -8.470 10.234 -99.200 -91.000