============================================================================= 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 -5.285 -2.615 -16.376 -99.200 -91.000 TYR 14 0.840 14.813 -16.088 -24.070 -99.200 -91.000 PHE 17 1.000 10.160 -8.596 -24.442 -99.200 -91.000 TYR 21 0.840 19.044 -10.571 -17.562 -99.200 -91.000 TYR 34 0.840 22.675 4.393 -6.572 -99.200 -91.000 TYR 37 0.840 33.036 2.308 -5.350 -99.200 -91.000 TYR 40 0.840 22.495 3.228 -10.289 -99.200 -91.000 TRP 49 1.040 8.397 -3.377 -2.498 -99.200 -91.000 TRP6 49 1.020 6.181 -3.893 -1.842 -99.200 -91.000 HIS 50 0.900 8.260 1.217 -2.785 -99.200 -91.000 TRP 55 1.040 -3.500 -5.604 -8.286 -99.200 -91.000 TRP6 55 1.020 -3.797 -7.684 -7.219 -99.200 -91.000 HIS 58 0.900 -10.127 -5.552 -1.525 -99.200 -91.000 TYR 65 0.840 -1.894 -3.726 -18.698 -99.200 -91.000 TYR 69 0.840 8.744 5.654 -10.344 -99.200 -91.000 PHE 71 1.000 1.474 9.165 -16.760 -99.200 -91.000 PHE 75 1.000 7.913 12.085 -11.349 -99.200 -91.000 PHE 87 1.000 11.910 7.471 -14.973 -99.200 -91.000 PHE 89 1.000 20.882 0.820 -14.126 -99.200 -91.000 HIS 94 0.900 11.132 3.124 -21.840 -99.200 -91.000 PHE 97 1.000 17.584 -2.416 -25.908 -99.200 -91.000 TRP 99 1.040 12.066 -2.483 -28.634 -99.200 -91.000 TRP6 99 1.020 11.756 -4.320 -27.188 -99.200 -91.000 PHE 106 1.000 9.026 2.122 -14.888 -99.200 -91.000 TRP 124 1.040 9.540 -9.541 -16.920 -99.200 -91.000 TRP6 124 1.020 9.543 -9.039 -19.224 -99.200 -91.000 TYR 151 0.840 0.815 -1.508 8.254 -99.200 -91.000 PHE 155 1.000 0.778 -2.985 2.237 -99.200 -91.000 PHE 156 1.000 3.401 -7.472 1.899 -99.200 -91.000 HIS 173 0.900 12.925 -4.689 3.557 -99.200 -91.000 HIS 179 0.900 19.685 4.627 0.853 -99.200 -91.000 TYR 185 0.840 12.307 3.625 9.675 -99.200 -91.000 PHE 196 1.000 17.449 -12.454 -3.565 -99.200 -91.000 PHE 200 1.000 14.503 -9.818 6.501 -99.200 -91.000 TYR 201 0.840 14.347 -14.890 5.169 -99.200 -91.000 TRP 209 1.040 18.408 -8.184 15.470 -99.200 -91.000 TRP6 209 1.020 19.467 -6.901 13.794 -99.200 -91.000 TRP 221 1.040 13.506 -3.690 16.643 -99.200 -91.000 TRP6 221 1.020 13.614 -4.440 18.884 -99.200 -91.000 TYR 227 0.840 25.606 -6.261 9.859 -99.200 -91.000 TYR 234 0.840 13.005 -7.448 16.908 -99.200 -91.000 TYR 242 0.840 4.221 -12.513 9.343 -99.200 -91.000 TYR 249 0.840 11.307 -18.801 3.237 -99.200 -91.000 PHE 256 1.000 15.166 -15.873 0.331 -99.200 -91.000 PHE 257 1.000 18.855 -17.975 -4.033 -99.200 -91.000 PHE 260 1.000 12.666 -12.522 -3.916 -99.200 -91.000 PHE 264 1.000 10.852 -9.282 -7.508 -99.200 -91.000 PHE 274 1.000 0.592 -12.331 -17.963 -99.200 -91.000 PHE 282 1.000 9.602 -14.044 -23.255 -99.200 -91.000 PHE 284 1.000 14.325 -12.266 -20.090 -99.200 -91.000