============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. TYR 7 0.840 -1.396 53.226 7.016 -99.200 -91.000 PHE 11 1.000 7.836 50.544 11.926 -99.200 -91.000 TYR 15 0.840 11.205 54.105 12.871 -99.200 -91.000 TRP 19 1.040 19.921 47.820 12.347 -99.200 -91.000 TRP6 19 1.020 20.432 47.661 14.653 -99.200 -91.000 PHE 20 1.000 20.628 47.652 7.224 -99.200 -91.000 PHE 29 1.000 16.463 38.398 15.700 -99.200 -91.000 PHE 31 1.000 10.882 39.686 17.386 -99.200 -91.000 PHE 32 1.000 6.136 41.713 9.560 -99.200 -91.000 PHE 42 1.000 -0.090 38.625 0.636 -99.200 -91.000 TYR 48 0.840 12.580 36.302 2.754 -99.200 -91.000 HIS 50 0.900 9.867 46.994 0.242 -99.200 -91.000 TYR 55 0.840 18.134 47.302 2.463 -99.200 -91.000 TYR 63 0.840 8.991 34.823 6.588 -99.200 -91.000 PHE 69 1.000 12.846 27.694 14.748 -99.200 -91.000 TYR 70 0.840 3.351 24.199 15.183 -99.200 -91.000 HIS 73 0.900 3.221 12.408 14.784 -99.200 -91.000 PHE 83 1.000 2.887 19.792 30.382 -99.200 -91.000 HIS 98 0.900 5.652 26.910 18.436 -99.200 -91.000 PHE 111 1.000 21.484 37.750 18.490 -99.200 -91.000 TYR 121 0.840 5.028 20.796 11.845 -99.200 -91.000 PHE 126 1.000 3.730 10.811 11.615 -99.200 -91.000 PHE 146 1.000 15.265 34.904 11.758 -99.200 -91.000 TRP 151 1.040 -0.799 31.920 17.250 -99.200 -91.000 TRP6 151 1.020 -1.651 32.093 19.442 -99.200 -91.000 PHE 152 1.000 3.233 31.980 20.239 -99.200 -91.000 PHE 155 1.000 -0.323 37.293 22.403 -99.200 -91.000 PHE 180 1.000 10.858 32.787 31.683 -99.200 -91.000 PHE 181 1.000 11.175 27.269 28.975 -99.200 -91.000 TYR 182 0.840 7.225 29.878 22.627 -99.200 -91.000 TRP 187 1.040 8.066 38.803 23.550 -99.200 -91.000 TRP6 187 1.020 7.618 36.873 22.261 -99.200 -91.000 PHE 199 1.000 -0.980 43.302 10.337 -99.200 -91.000 TYR 208 0.840 -14.750 32.081 18.109 -99.200 -91.000 TRP 210 1.040 -11.093 37.809 9.976 -99.200 -91.000 TRP6 210 1.020 -9.634 38.845 11.520 -99.200 -91.000 HIS 216 0.900 -18.395 28.237 6.055 -99.200 -91.000 HIS 232 0.900 -18.037 28.820 16.542 -99.200 -91.000 PHE 234 1.000 -7.592 25.621 14.790 -99.200 -91.000 TYR 238 0.840 -4.859 28.517 18.303 -99.200 -91.000 TYR 242 0.840 -6.025 35.348 19.708 -99.200 -91.000 TYR 245 0.840 -0.730 35.331 27.900 -99.200 -91.000 PHE 249 1.000 1.853 42.092 21.215 -99.200 -91.000 TYR 272 0.840 -9.648 49.775 13.945 -99.200 -91.000