============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 8 0.840 -11.345 -13.413 -32.364 -99.200 -91.000 TRP 27 1.040 4.637 -17.431 -12.013 -99.200 -91.000 TRP6 27 1.020 4.746 -15.936 -10.171 -99.200 -91.000 TRP 33 1.040 -5.890 -7.614 -13.321 -99.200 -91.000 TRP6 33 1.020 -6.518 -6.472 -11.330 -99.200 -91.000 PHE 37 1.000 -11.942 -12.844 -19.027 -99.200 -91.000 PHE 46 1.000 -10.464 -23.993 -20.544 -99.200 -91.000 PHE 58 1.000 -14.463 -29.023 3.209 -99.200 -91.000 TYR 63 0.840 -19.344 -20.268 8.643 -99.200 -91.000 PHE 66 1.000 -23.228 -17.393 5.730 -99.200 -91.000 PHE 70 1.000 -20.985 -21.489 -2.996 -99.200 -91.000 HIS 77 0.900 -23.915 -14.087 -11.795 -99.200 -91.000 PHE 78 1.000 -17.905 -22.342 -10.680 -99.200 -91.000 HIS 82 0.900 -17.645 -24.160 -20.296 -99.200 -91.000 HIS 85 0.900 -20.405 -34.257 -9.189 -99.200 -91.000 TYR 86 0.840 -22.992 -26.313 -8.006 -99.200 -91.000 TYR 87 0.840 -17.506 -33.403 -6.352 -99.200 -91.000 PHE 89 1.000 -16.137 -32.510 0.641 -99.200 -91.000 PHE 121 1.000 -11.293 -39.016 5.212 -99.200 -91.000 PHE 126 1.000 -12.985 -34.225 -5.099 -99.200 -91.000 TYR 132 0.840 -9.219 -27.592 -15.765 -99.200 -91.000 PHE 142 1.000 -19.805 -18.100 -7.623 -99.200 -91.000 HIS 145 0.900 -17.833 -15.360 -17.298 -99.200 -91.000 PHE 155 1.000 -8.157 -21.232 -9.735 -99.200 -91.000 HIS 159 0.900 -7.007 -11.235 1.997 -99.200 -91.000 PHE 162 1.000 -3.260 -8.574 3.714 -99.200 -91.000 TYR 163 0.840 -6.234 -4.443 -4.501 -99.200 -91.000 PHE 170 1.000 2.054 -9.486 0.142 -99.200 -91.000 TYR 172 0.840 3.689 -14.105 2.307 -99.200 -91.000 TYR 181 0.840 10.708 -18.078 8.155 -99.200 -91.000 PHE 189 1.000 1.376 -11.601 -7.362 -99.200 -91.000 TYR 190 0.840 -1.982 -13.285 2.859 -99.200 -91.000 TYR 191 0.840 -0.767 -16.434 -4.576 -99.200 -91.000 PHE 195 1.000 -12.411 -18.536 -7.107 -99.200 -91.000 PHE 196 1.000 -7.338 -24.146 -2.442 -99.200 -91.000 HIS 211 0.900 -3.675 -34.211 6.125 -99.200 -91.000 TRP 226 1.040 -3.988 -14.532 9.137 -99.200 -91.000 TRP6 226 1.020 -6.123 -14.161 10.103 -99.200 -91.000 HIS 227 0.900 -5.973 -20.881 11.838 -99.200 -91.000 HIS 231 0.900 0.320 -24.684 6.987 -99.200 -91.000 TYR 235 0.840 1.775 -26.664 -3.432 -99.200 -91.000 HIS 239 0.900 5.397 -26.736 -4.996 -99.200 -91.000 TYR 249 0.840 -12.135 -13.912 -11.566 -99.200 -91.000 TRP 251 1.040 -14.332 -5.895 -3.636 -99.200 -91.000 TRP6 251 1.020 -12.032 -5.291 -3.613 -99.200 -91.000 TRP 258 1.040 -17.233 -1.748 -8.432 -99.200 -91.000 TRP6 258 1.020 -19.349 -2.455 -9.227 -99.200 -91.000 PHE 267 1.000 -17.113 -16.820 -4.642 -99.200 -91.000