============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 9 1.000 33.794 18.825 -1.802 -99.200 -91.000 PHE 14 1.000 35.076 6.774 -0.833 -99.200 -91.000 HIS 16 0.900 39.534 13.508 -7.575 -99.200 -91.000 PHE 27 1.000 33.421 8.650 9.929 -99.200 -91.000 TRP 31 1.040 27.170 19.957 7.737 -99.200 -91.000 TRP6 31 1.020 25.790 21.323 6.374 -99.200 -91.000 TYR 41 0.840 32.037 30.092 -4.034 -99.200 -91.000 PHE 58 1.000 29.252 25.704 -3.745 -99.200 -91.000 HIS 64 0.900 28.155 32.202 0.307 -99.200 -91.000 PHE 67 1.000 27.085 25.247 2.060 -99.200 -91.000 TYR 81 0.840 18.781 13.319 15.416 -99.200 -91.000 PHE 90 1.000 38.820 30.198 16.494 -99.200 -91.000 PHE 97 1.000 41.021 39.153 8.353 -99.200 -91.000 TYR 101 0.840 34.993 36.383 4.554 -99.200 -91.000 TYR 108 0.840 23.770 34.782 3.541 -99.200 -91.000 TYR 109 0.840 28.573 29.979 5.307 -99.200 -91.000 PHE 118 1.000 45.628 32.899 13.778 -99.200 -91.000 TRP 132 1.040 34.934 27.332 19.349 -99.200 -91.000 TRP6 132 1.020 34.148 26.281 17.373 -99.200 -91.000 TYR 163 0.840 28.700 14.819 19.974 -99.200 -91.000 PHE 164 1.000 24.038 10.898 14.701 -99.200 -91.000 TRP 168 1.040 22.476 1.162 16.174 -99.200 -91.000 TRP6 168 1.020 22.887 2.015 13.998 -99.200 -91.000 PHE 172 1.000 22.877 -3.616 14.973 -99.200 -91.000 PHE 177 1.000 29.833 -14.176 13.941 -99.200 -91.000 PHE 179 1.000 35.634 -6.913 7.927 -99.200 -91.000 TYR 193 0.840 20.866 -12.062 14.454 -99.200 -91.000 TYR 202 0.840 22.919 -6.825 -5.973 -99.200 -91.000 TYR 215 0.840 22.153 6.235 13.672 -99.200 -91.000 PHE 222 1.000 20.150 5.188 3.496 -99.200 -91.000 TYR 243 0.840 22.557 13.144 -6.564 -99.200 -91.000 TRP 249 1.040 19.207 1.561 -5.661 -99.200 -91.000 TRP6 249 1.020 17.752 -0.256 -5.276 -99.200 -91.000 TYR 261 0.840 24.584 -12.494 11.714 -99.200 -91.000 PHE 265 1.000 32.366 0.613 11.985 -99.200 -91.000 HIS 270 0.900 43.960 12.448 13.305 -99.200 -91.000 TYR 271 0.840 41.253 11.437 5.826 -99.200 -91.000 PHE 286 1.000 44.385 24.259 -1.362 -99.200 -91.000 PHE 293 1.000 41.182 32.532 -1.012 -99.200 -91.000 PHE 303 1.000 49.790 31.226 0.815 -99.200 -91.000 PHE 308 1.000 46.194 21.363 8.667 -99.200 -91.000 HIS 309 0.900 37.007 16.280 7.706 -99.200 -91.000 HIS 326 0.900 18.636 -18.579 10.225 -99.200 -91.000 PHE 331 1.000 24.245 -5.166 4.597 -99.200 -91.000 HIS 335 0.900 31.831 -8.966 2.127 -99.200 -91.000 PHE 337 1.000 30.876 -2.072 6.731 -99.200 -91.000 PHE 339 1.000 31.006 3.805 7.923 -99.200 -91.000 HIS 343 0.900 19.121 16.460 8.777 -99.200 -91.000 PHE 351 1.000 29.566 12.524 11.000 -99.200 -91.000 PHE 352 1.000 30.796 7.811 1.180 -99.200 -91.000 PHE 355 1.000 35.360 -1.946 9.955 -99.200 -91.000