============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 3 1.000 -19.646 -0.715 10.111 -99.200 -91.000 PHE 8 1.000 -24.030 5.794 21.425 -99.200 -91.000 TRP 31 1.040 -25.256 9.538 43.549 -99.200 -91.000 TRP6 31 1.020 -23.208 10.569 44.070 -99.200 -91.000 TYR 37 0.840 -32.468 4.641 39.940 -99.200 -91.000 HIS 41 0.900 -27.697 -10.008 42.430 -99.200 -91.000 TYR 54 0.840 -34.882 -10.771 45.823 -99.200 -91.000 HIS 64 0.900 -29.446 1.736 60.698 -99.200 -91.000 PHE 66 1.000 -29.935 -1.395 51.680 -99.200 -91.000 HIS 80 0.900 -34.908 0.842 52.949 -99.200 -91.000 TYR 101 0.840 -31.825 10.214 34.635 -99.200 -91.000 PHE 103 1.000 -33.839 5.326 34.884 -99.200 -91.000 PHE 112 1.000 -27.347 -3.309 25.673 -99.200 -91.000 TYR 118 0.840 -15.538 -6.478 37.010 -99.200 -91.000 TYR 126 0.840 -18.962 -5.354 26.938 -99.200 -91.000 HIS 134 0.900 -36.527 -11.209 25.206 -99.200 -91.000 PHE 140 1.000 -21.514 -7.725 31.894 -99.200 -91.000 PHE 150 1.000 -23.229 3.874 28.035 -99.200 -91.000 TYR 154 0.840 -28.564 15.464 18.846 -99.200 -91.000 PHE 159 1.000 -27.986 5.903 32.581 -99.200 -91.000 TYR 161 0.840 -28.116 -5.788 30.614 -99.200 -91.000 HIS 163 0.900 -24.510 -8.896 34.170 -99.200 -91.000 HIS 164 0.900 -30.788 -7.308 37.994 -99.200 -91.000 HIS 172 0.900 -22.532 -12.306 30.488 -99.200 -91.000 PHE 181 1.000 -33.927 -10.443 35.611 -99.200 -91.000 TYR 182 0.840 -34.263 -5.291 28.525 -99.200 -91.000 PHE 185 1.000 -33.331 -15.286 30.658 -99.200 -91.000 TRP 207 1.040 -21.313 -5.953 8.731 -99.200 -91.000 TRP6 207 1.020 -20.837 -7.915 7.519 -99.200 -91.000 TYR 209 0.840 -28.699 -1.560 1.906 -99.200 -91.000 TRP 218 1.040 -17.166 -9.606 -1.710 -99.200 -91.000 TRP6 218 1.020 -18.179 -11.743 -1.422 -99.200 -91.000 PHE 219 1.000 -21.821 -7.385 -0.321 -99.200 -91.000 PHE 223 1.000 -30.115 -14.308 -10.195 -99.200 -91.000 PHE 230 1.000 -34.171 -12.524 3.276 -99.200 -91.000 TYR 237 0.840 -29.226 -21.176 4.847 -99.200 -91.000 TYR 239 0.840 -29.408 -14.817 8.660 -99.200 -91.000 HIS 246 0.900 -37.873 -6.516 10.870 -99.200 -91.000 PHE 291 1.000 -21.254 -3.153 13.513 -99.200 -91.000 PHE 294 1.000 -29.422 6.339 15.253 -99.200 -91.000