============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TYR 11 0.840 10.340 9.254 0.500 -99.200 -91.000 PHE 28 1.000 4.477 14.975 15.491 -99.200 -91.000 PHE 29 1.000 10.418 9.052 12.611 -99.200 -91.000 TYR 32 0.840 7.604 9.864 21.560 -99.200 -91.000 TRP 45 1.040 6.450 -0.226 -4.664 -99.200 -91.000 TRP6 45 1.020 6.553 0.153 -2.331 -99.200 -91.000 TRP 66 1.040 8.728 -2.380 3.831 -99.200 -91.000 TRP6 66 1.020 10.357 -2.693 2.144 -99.200 -91.000 HIS 72 0.900 3.661 -10.464 5.977 -99.200 -91.000 TYR 88 0.840 10.640 -8.829 14.405 -99.200 -91.000 HIS 106 0.900 -10.998 0.725 -22.365 -99.200 -91.000 TYR 121 0.840 -15.261 -2.605 -23.857 -99.200 -91.000 PHE 125 1.000 -9.980 -3.235 -25.804 -99.200 -91.000 PHE 133 1.000 -9.350 -3.303 -20.185 -99.200 -91.000 HIS 137 0.900 1.148 -5.323 -10.952 -99.200 -91.000 PHE 139 1.000 7.701 -5.780 -6.230 -99.200 -91.000 PHE 146 1.000 -2.440 -9.489 -3.025 -99.200 -91.000 TRP 147 1.040 -5.201 -2.004 -3.326 -99.200 -91.000 TRP6 147 1.020 -5.684 -3.405 -1.480 -99.200 -91.000 TYR 150 0.840 -12.491 -8.337 -3.942 -99.200 -91.000 TRP 151 1.040 -12.607 -2.476 -10.715 -99.200 -91.000 TRP6 151 1.020 -11.524 -2.233 -12.802 -99.200 -91.000 PHE 152 1.000 -9.072 -5.875 -14.732 -99.200 -91.000 PHE 185 1.000 -0.766 3.535 -12.952 -99.200 -91.000 TRP 191 1.040 1.352 8.250 -10.106 -99.200 -91.000 TRP6 191 1.020 2.299 9.274 -12.019 -99.200 -91.000 TYR 193 0.840 -5.458 17.615 -9.243 -99.200 -91.000 TYR 202 0.840 -13.271 5.865 -16.818 -99.200 -91.000 TRP 211 1.040 -11.670 -4.283 2.905 -99.200 -91.000 TRP6 211 1.020 -9.725 -5.622 2.973 -99.200 -91.000 TYR 213 0.840 -13.679 3.766 6.769 -99.200 -91.000 HIS 214 0.900 -7.624 -0.095 1.167 -99.200 -91.000 TYR 218 0.840 0.043 -3.083 7.237 -99.200 -91.000 TRP 225 1.040 18.084 -1.006 13.094 -99.200 -91.000 TRP6 225 1.020 16.512 0.163 14.428 -99.200 -91.000 TRP 246 1.040 0.479 17.980 13.548 -99.200 -91.000 TRP6 246 1.020 1.252 18.669 11.421 -99.200 -91.000 TYR 265 0.840 10.932 14.808 2.704 -99.200 -91.000 PHE 266 1.000 5.133 12.584 -1.598 -99.200 -91.000 PHE 277 1.000 -2.737 14.465 2.073 -99.200 -91.000 TYR 281 0.840 -9.744 10.923 -4.100 -99.200 -91.000 PHE 293 1.000 -10.637 14.155 6.886 -99.200 -91.000 TYR 299 0.840 -2.043 9.530 6.005 -99.200 -91.000 TRP 300 1.040 -4.942 8.197 15.895 -99.200 -91.000 TRP6 300 1.020 -3.225 6.729 16.601 -99.200 -91.000 TYR 309 0.840 -3.678 -3.795 16.813 -99.200 -91.000 TYR 311 0.840 -7.454 -4.037 13.800 -99.200 -91.000 HIS 314 0.900 -7.060 -5.274 8.580 -99.200 -91.000 TRP 317 1.040 -8.272 -10.070 2.088 -99.200 -91.000 TRP6 317 1.020 -7.084 -8.773 0.503 -99.200 -91.000 PHE 318 1.000 -2.684 -6.831 2.646 -99.200 -91.000 TRP 325 1.040 -5.538 -13.138 -7.075 -99.200 -91.000 TRP6 325 1.020 -7.220 -13.584 -8.677 -99.200 -91.000 PHE 327 1.000 -0.297 -13.559 -6.871 -99.200 -91.000 HIS 328 0.900 4.399 -15.380 -3.524 -99.200 -91.000 TRP 351 1.040 0.327 0.396 16.645 -99.200 -91.000 TRP6 351 1.020 -1.532 0.967 17.992 -99.200 -91.000 PHE 360 1.000 -0.232 8.409 21.793 -99.200 -91.000 PHE 375 1.000 -12.806 -7.638 0.328 -99.200 -91.000 PHE 376 1.000 -16.758 -3.945 -5.638 -99.200 -91.000 PHE 381 1.000 -10.104 -12.607 5.628 -99.200 -91.000 TYR 389 0.840 -11.754 -13.800 0.831 -99.200 -91.000