============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 6 1.000 -28.343 -19.347 10.820 -99.200 -91.000 HIS 7 0.900 -21.362 -13.205 15.162 -99.200 -91.000 TYR 8 0.840 -25.295 -14.207 8.049 -99.200 -91.000 PHE 11 1.000 -23.602 -0.953 8.713 -99.200 -91.000 PHE 42 1.000 -24.052 -12.312 18.995 -99.200 -91.000 PHE 47 1.000 -35.257 -12.320 18.771 -99.200 -91.000 TYR 59 0.840 -34.959 -3.850 14.492 -99.200 -91.000 PHE 60 1.000 -36.897 -8.129 21.821 -99.200 -91.000 TYR 64 0.840 -32.232 -1.431 26.461 -99.200 -91.000 HIS 70 0.900 -25.704 -3.841 14.809 -99.200 -91.000 TYR 77 0.840 -24.724 -10.552 2.979 -99.200 -91.000 PHE 113 1.000 -26.605 -1.418 -2.637 -99.200 -91.000 PHE 122 1.000 -25.762 18.207 11.580 -99.200 -91.000 PHE 125 1.000 -19.582 20.111 23.943 -99.200 -91.000 HIS 134 0.900 -9.350 17.025 30.101 -99.200 -91.000 TYR 151 0.840 -24.970 17.803 22.115 -99.200 -91.000 TRP 157 1.040 -30.717 14.033 19.594 -99.200 -91.000 TRP6 157 1.020 -30.121 15.835 18.171 -99.200 -91.000 PHE 178 1.000 -18.741 9.311 26.821 -99.200 -91.000 HIS 191 0.900 -19.168 7.862 15.291 -99.200 -91.000 TYR 198 0.840 -6.071 3.289 10.677 -99.200 -91.000 HIS 203 0.900 -15.056 9.090 -0.067 -99.200 -91.000 HIS 204 0.900 -10.750 6.050 11.710 -99.200 -91.000 HIS 207 0.900 -21.432 5.470 18.403 -99.200 -91.000 PHE 208 1.000 -14.519 6.337 22.116 -99.200 -91.000 TYR 212 0.840 -30.589 3.426 29.255 -99.200 -91.000 TYR 230 0.840 -19.152 17.652 11.067 -99.200 -91.000 TYR 231 0.840 -16.926 15.534 3.209 -99.200 -91.000 TYR 234 0.840 -21.941 21.744 10.611 -99.200 -91.000 PHE 239 1.000 -23.993 17.869 -1.785 -99.200 -91.000 HIS 241 0.900 -30.767 16.136 -6.618 -99.200 -91.000 HIS 253 0.900 -6.533 -4.427 17.478 -99.200 -91.000 TYR 261 0.840 -26.043 5.331 -1.173 -99.200 -91.000 TYR 281 0.840 -22.098 -18.640 8.712 -99.200 -91.000 PHE 285 1.000 -24.959 -18.543 19.159 -99.200 -91.000