============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. TRP 16 1.040 27.128 57.802 14.618 -99.200 -91.000 TRP6 16 1.020 25.134 56.880 15.507 -99.200 -91.000 PHE 22 1.000 32.779 45.682 15.891 -99.200 -91.000 TYR 29 0.840 21.779 40.313 10.055 -99.200 -91.000 PHE 40 1.000 26.205 51.307 20.514 -99.200 -91.000 PHE 42 1.000 28.345 47.544 17.009 -99.200 -91.000 HIS 43 0.900 20.726 43.206 15.646 -99.200 -91.000 HIS 49 0.900 33.650 43.294 25.317 -99.200 -91.000 HIS 53 0.900 39.807 50.689 27.424 -99.200 -91.000 TYR 74 0.840 7.254 69.321 25.668 -99.200 -91.000 HIS 79 0.900 19.034 65.549 28.519 -99.200 -91.000 TYR 83 0.840 23.947 62.429 30.437 -99.200 -91.000 TRP 85 1.040 20.915 63.870 40.329 -99.200 -91.000 TRP6 85 1.020 21.635 62.743 42.275 -99.200 -91.000 HIS 92 0.900 24.740 53.798 44.580 -99.200 -91.000 TYR 97 0.840 22.235 36.521 39.433 -99.200 -91.000 PHE 102 1.000 15.564 47.158 40.210 -99.200 -91.000 HIS 117 0.900 3.093 53.678 34.850 -99.200 -91.000 PHE 123 1.000 15.249 56.965 41.542 -99.200 -91.000 PHE 135 1.000 15.376 62.401 40.789 -99.200 -91.000 HIS 147 0.900 1.290 34.561 23.559 -99.200 -91.000 TYR 153 0.840 0.722 40.016 37.686 -99.200 -91.000 PHE 160 1.000 7.500 51.723 46.620 -99.200 -91.000 TYR 162 0.840 10.001 65.419 46.730 -99.200 -91.000 HIS 167 0.900 17.291 61.837 52.147 -99.200 -91.000 TRP 182 1.040 11.943 41.292 51.527 -99.200 -91.000 TRP6 182 1.020 10.332 42.915 52.130 -99.200 -91.000 TYR 195 0.840 5.429 38.196 38.130 -99.200 -91.000 PHE 205 1.000 9.965 46.314 47.373 -99.200 -91.000 PHE 217 1.000 10.274 56.524 49.742 -99.200 -91.000 TYR 223 0.840 3.564 61.809 38.791 -99.200 -91.000 PHE 225 1.000 4.574 61.135 33.258 -99.200 -91.000 TRP 234 1.040 15.891 71.943 12.350 -99.200 -91.000 TRP6 234 1.020 18.069 71.677 13.242 -99.200 -91.000 TRP 242 1.040 17.844 76.602 16.869 -99.200 -91.000 TRP6 242 1.020 15.522 76.773 16.457 -99.200 -91.000 HIS 243 0.900 18.674 70.252 21.791 -99.200 -91.000 PHE 247 1.000 9.949 57.426 11.672 -99.200 -91.000 TYR 256 0.840 17.647 50.503 4.506 -99.200 -91.000 HIS 272 0.900 26.080 67.849 16.666 -99.200 -91.000 PHE 276 1.000 25.156 62.294 16.176 -99.200 -91.000 PHE 323 1.000 10.942 34.984 13.506 -99.200 -91.000 PHE 336 1.000 2.799 42.937 10.822 -99.200 -91.000 PHE 340 1.000 -0.363 46.675 11.557 -99.200 -91.000 HIS 351 0.900 -12.642 54.762 8.667 -99.200 -91.000 HIS 357 0.900 -0.699 60.639 18.222 -99.200 -91.000 TYR 387 0.840 1.630 39.744 14.463 -99.200 -91.000 HIS 390 0.900 -3.088 42.026 24.515 -99.200 -91.000 TYR 404 0.840 -11.666 43.801 19.827 -99.200 -91.000 TRP 424 1.040 -10.780 57.816 18.097 -99.200 -91.000 TRP6 424 1.020 -8.829 58.293 16.833 -99.200 -91.000 PHE 434 1.000 -8.672 52.766 18.350 -99.200 -91.000 PHE 437 1.000 -14.914 55.685 20.398 -99.200 -91.000 TRP 455 1.040 -3.656 36.886 32.325 -99.200 -91.000 TRP6 455 1.020 -2.898 36.130 30.217 -99.200 -91.000