============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 67 rings ring int. center anis. iso. PHE 11 1.000 -26.057 -48.876 -7.870 -99.200 -91.000 TYR 12 0.840 -30.744 -47.329 -14.873 -99.200 -91.000 PHE 18 1.000 -30.252 -58.910 -13.605 -99.200 -91.000 PHE 21 1.000 -28.717 -61.151 -5.453 -99.200 -91.000 TYR 24 0.840 -25.017 -54.774 -10.433 -99.200 -91.000 TYR 27 0.840 -20.767 -51.627 -9.631 -99.200 -91.000 HIS 34 0.900 -22.528 -49.772 1.890 -99.200 -91.000 TRP 47 1.040 -33.636 -61.351 -16.011 -99.200 -91.000 TRP6 47 1.020 -35.192 -60.451 -14.481 -99.200 -91.000 TYR 53 0.840 -45.679 -61.510 -14.735 -99.200 -91.000 PHE 76 1.000 -51.355 -42.062 10.855 -99.200 -91.000 TYR 79 0.840 -54.510 -52.360 16.107 -99.200 -91.000 PHE 91 1.000 -55.713 -58.153 -3.665 -99.200 -91.000 TYR 100 0.840 -61.946 -51.594 -0.972 -99.200 -91.000 TYR 105 0.840 -51.151 -40.052 -9.014 -99.200 -91.000 PHE 108 1.000 -44.408 -40.242 -4.378 -99.200 -91.000 TYR 115 0.840 -49.891 -44.292 2.765 -99.200 -91.000 TRP 116 1.040 -47.799 -40.323 4.371 -99.200 -91.000 TRP6 116 1.020 -47.472 -41.860 6.132 -99.200 -91.000 PHE 121 1.000 -60.299 -40.854 6.895 -99.200 -91.000 TYR 126 0.840 -49.643 -55.719 0.923 -99.200 -91.000 TYR 135 0.840 -37.762 -64.465 -10.561 -99.200 -91.000 HIS 138 0.900 -36.692 -69.908 -18.704 -99.200 -91.000 TRP 142 1.040 -29.750 -60.121 -10.272 -99.200 -91.000 TRP6 142 1.020 -30.045 -58.199 -8.926 -99.200 -91.000 TYR 169 0.840 -43.721 -65.129 2.916 -99.200 -91.000 TYR 171 0.840 -44.946 -59.528 0.384 -99.200 -91.000 PHE 172 1.000 -50.767 -61.975 -6.069 -99.200 -91.000 TRP 175 1.040 -55.708 -45.651 -2.745 -99.200 -91.000 TRP6 175 1.020 -53.731 -44.350 -2.518 -99.200 -91.000 PHE 179 1.000 -43.295 -51.277 2.167 -99.200 -91.000 TRP 181 1.040 -41.488 -45.949 9.275 -99.200 -91.000 TRP6 181 1.020 -39.638 -45.477 7.890 -99.200 -91.000 HIS 182 0.900 -40.211 -53.931 7.316 -99.200 -91.000 TYR 189 0.840 -27.194 -57.384 2.347 -99.200 -91.000 TYR 193 0.840 -39.140 -58.344 -11.257 -99.200 -91.000 HIS 195 0.900 -42.773 -61.500 -10.466 -99.200 -91.000 PHE 196 1.000 -49.103 -58.827 -11.916 -99.200 -91.000 TRP 202 1.040 -40.048 -49.562 -2.036 -99.200 -91.000 TRP6 202 1.020 -39.296 -51.494 -0.882 -99.200 -91.000 TYR 203 0.840 -42.354 -42.583 2.666 -99.200 -91.000 HIS 209 0.900 -27.810 -40.524 10.487 -99.200 -91.000 PHE 220 1.000 -43.012 -39.660 17.921 -99.200 -91.000 PHE 221 1.000 -46.492 -45.613 18.466 -99.200 -91.000 PHE 231 1.000 -42.142 -49.939 19.493 -99.200 -91.000 HIS 234 0.900 -44.432 -56.286 18.596 -99.200 -91.000 TYR 247 0.840 -40.691 -35.197 16.904 -99.200 -91.000 PHE 251 1.000 -37.890 -38.499 5.093 -99.200 -91.000 PHE 261 1.000 -34.856 -57.880 -9.716 -99.200 -91.000 PHE 265 1.000 -28.022 -52.142 0.251 -99.200 -91.000 TYR 267 0.840 -30.190 -50.805 12.919 -99.200 -91.000 TYR 269 0.840 -35.534 -49.585 11.931 -99.200 -91.000 HIS 270 0.900 -37.305 -52.151 4.553 -99.200 -91.000 PHE 273 1.000 -47.676 -44.546 -0.695 -99.200 -91.000 HIS 275 0.900 -47.579 -45.187 -6.408 -99.200 -91.000 PHE 277 1.000 -53.975 -56.734 -9.478 -99.200 -91.000 PHE 285 1.000 -29.722 -59.953 -0.730 -99.200 -91.000 TRP 290 1.040 -27.238 -60.879 8.114 -99.200 -91.000 TRP6 290 1.020 -27.036 -63.189 8.611 -99.200 -91.000 TYR 293 0.840 -25.117 -54.717 9.735 -99.200 -91.000 PHE 314 1.000 -25.018 -67.834 8.400 -99.200 -91.000 PHE 318 1.000 -18.891 -67.550 5.562 -99.200 -91.000 TYR 323 0.840 -18.022 -71.350 17.491 -99.200 -91.000 TRP 326 1.040 -20.868 -64.827 18.805 -99.200 -91.000 TRP6 326 1.020 -21.904 -66.841 18.136 -99.200 -91.000 HIS 337 0.900 -24.836 -49.529 11.102 -99.200 -91.000 PHE 347 1.000 -16.900 -55.294 -8.335 -99.200 -91.000