============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. HIS 4 0.900 -5.308 -2.555 -16.508 -99.200 -91.000 TYR 14 0.840 14.767 -16.182 -24.091 -99.200 -91.000 PHE 17 1.000 10.073 -8.728 -24.546 -99.200 -91.000 TYR 21 0.840 19.018 -10.627 -17.611 -99.200 -91.000 TYR 34 0.840 22.718 4.464 -6.841 -99.200 -91.000 TYR 37 0.840 32.980 2.319 -5.458 -99.200 -91.000 TYR 40 0.840 22.414 3.331 -10.527 -99.200 -91.000 TRP 49 1.040 8.423 -3.142 -2.577 -99.200 -91.000 TRP6 49 1.020 6.222 -3.735 -1.900 -99.200 -91.000 HIS 50 0.900 8.326 1.460 -2.960 -99.200 -91.000 TRP 55 1.040 -3.547 -5.479 -8.399 -99.200 -91.000 TRP6 55 1.020 -3.834 -7.550 -7.299 -99.200 -91.000 HIS 58 0.900 -10.123 -5.342 -1.616 -99.200 -91.000 TYR 65 0.840 -1.920 -3.742 -18.796 -99.200 -91.000 TYR 69 0.840 8.703 5.697 -10.581 -99.200 -91.000 PHE 71 1.000 1.487 9.162 -17.002 -99.200 -91.000 PHE 75 1.000 7.894 12.122 -11.688 -99.200 -91.000 PHE 87 1.000 11.905 7.514 -15.250 -99.200 -91.000 PHE 89 1.000 20.874 0.819 -14.339 -99.200 -91.000 HIS 94 0.900 11.019 3.100 -22.016 -99.200 -91.000 PHE 97 1.000 17.467 -2.577 -26.084 -99.200 -91.000 TRP 99 1.040 12.028 -2.699 -28.820 -99.200 -91.000 TRP6 99 1.020 11.746 -4.508 -27.323 -99.200 -91.000 PHE 106 1.000 8.998 2.158 -15.084 -99.200 -91.000 TRP 124 1.040 9.458 -9.565 -17.012 -99.200 -91.000 TRP6 124 1.020 9.422 -9.063 -19.339 -99.200 -91.000 TYR 151 0.840 0.854 -1.224 8.079 -99.200 -91.000 PHE 155 1.000 0.846 -2.767 2.087 -99.200 -91.000 PHE 156 1.000 3.421 -7.264 1.800 -99.200 -91.000 HIS 173 0.900 13.024 -4.537 3.469 -99.200 -91.000 HIS 179 0.900 19.705 4.877 0.529 -99.200 -91.000 TYR 185 0.840 12.377 3.844 9.420 -99.200 -91.000 PHE 196 1.000 17.312 -12.381 -3.670 -99.200 -91.000 PHE 200 1.000 14.630 -9.438 6.384 -99.200 -91.000 TYR 201 0.840 14.291 -14.714 5.075 -99.200 -91.000 TRP 209 1.040 18.349 -8.099 15.447 -99.200 -91.000 TRP6 209 1.020 19.298 -6.802 13.707 -99.200 -91.000 TRP 221 1.040 13.444 -3.434 16.445 -99.200 -91.000 TRP6 221 1.020 13.596 -4.175 18.694 -99.200 -91.000 TYR 227 0.840 25.124 -6.954 9.791 -99.200 -91.000 TYR 234 0.840 13.052 -7.204 16.715 -99.200 -91.000 TYR 242 0.840 4.202 -12.263 9.252 -99.200 -91.000 TYR 249 0.840 11.160 -18.638 3.194 -99.200 -91.000 PHE 256 1.000 15.047 -15.744 0.266 -99.200 -91.000 PHE 257 1.000 18.731 -17.870 -4.071 -99.200 -91.000 PHE 260 1.000 12.593 -12.439 -3.983 -99.200 -91.000 PHE 264 1.000 10.801 -9.172 -7.585 -99.200 -91.000 PHE 274 1.000 0.573 -12.350 -18.032 -99.200 -91.000 PHE 282 1.000 9.535 -14.150 -23.302 -99.200 -91.000 PHE 284 1.000 14.206 -12.324 -20.114 -99.200 -91.000