============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 13 1.000 20.681 42.726 56.713 -99.200 -91.000 HIS 29 0.900 30.711 34.977 52.571 -99.200 -91.000 PHE 35 1.000 17.686 41.888 53.302 -99.200 -91.000 TYR 67 0.840 19.438 23.708 54.042 -99.200 -91.000 TYR 74 0.840 22.662 26.041 43.823 -99.200 -91.000 PHE 77 1.000 16.886 34.291 45.393 -99.200 -91.000 PHE 81 1.000 22.248 29.590 46.689 -99.200 -91.000 TYR 88 0.840 30.934 23.400 53.050 -99.200 -91.000 HIS 89 0.900 31.702 23.344 47.875 -99.200 -91.000 PHE 92 1.000 33.582 26.564 41.732 -99.200 -91.000 HIS 98 0.900 32.273 19.930 39.164 -99.200 -91.000 TRP 103 1.040 29.701 8.048 34.800 -99.200 -91.000 TRP6 103 1.020 29.118 8.645 37.010 -99.200 -91.000 PHE 118 1.000 46.718 -3.447 55.516 -99.200 -91.000 TYR 133 0.840 9.615 16.644 38.927 -99.200 -91.000 PHE 135 1.000 17.064 21.852 43.373 -99.200 -91.000 TYR 144 0.840 7.863 16.507 48.389 -99.200 -91.000 TYR 166 0.840 9.766 3.633 45.762 -99.200 -91.000 TYR 167 0.840 11.222 -2.343 50.488 -99.200 -91.000 HIS 184 0.900 22.070 -0.344 60.795 -99.200 -91.000 PHE 185 1.000 19.787 -1.155 53.143 -99.200 -91.000 PHE 187 1.000 14.092 8.772 53.580 -99.200 -91.000 PHE 193 1.000 20.752 22.876 62.270 -99.200 -91.000 TYR 202 0.840 3.074 19.946 51.261 -99.200 -91.000 TRP 203 1.040 8.129 12.200 56.506 -99.200 -91.000 TRP6 203 1.020 10.178 12.801 55.498 -99.200 -91.000 PHE 210 1.000 15.420 -0.289 43.631 -99.200 -91.000 HIS 211 0.900 16.694 -3.483 49.849 -99.200 -91.000 PHE 217 1.000 21.484 1.473 43.124 -99.200 -91.000 TRP 220 1.040 17.799 6.414 52.071 -99.200 -91.000 TRP6 220 1.020 18.831 7.482 53.903 -99.200 -91.000 HIS 226 0.900 14.316 16.865 43.030 -99.200 -91.000 TYR 242 0.840 33.569 5.520 39.609 -99.200 -91.000 PHE 258 1.000 20.422 12.086 36.910 -99.200 -91.000 HIS 260 0.900 26.215 19.512 34.651 -99.200 -91.000 PHE 264 1.000 27.542 27.656 41.329 -99.200 -91.000 PHE 266 1.000 25.649 15.689 37.561 -99.200 -91.000 PHE 269 1.000 17.463 21.154 51.037 -99.200 -91.000 HIS 283 0.900 34.842 1.663 59.480 -99.200 -91.000 PHE 303 1.000 47.707 10.227 46.954 -99.200 -91.000 TYR 313 0.840 42.551 6.540 61.405 -99.200 -91.000 TYR 326 0.840 39.827 8.265 36.096 -99.200 -91.000