============================================================================= 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 7 0.900 10.784 -2.242 71.856 -99.200 -91.000 HIS 11 0.900 -0.751 2.860 68.830 -99.200 -91.000 PHE 14 1.000 -0.354 -2.481 56.947 -99.200 -91.000 PHE 16 1.000 5.175 -4.469 52.758 -99.200 -91.000 TYR 19 0.840 13.325 -10.601 52.026 -99.200 -91.000 TRP 32 1.040 7.551 -3.024 48.563 -99.200 -91.000 TRP6 32 1.020 9.100 -2.896 50.337 -99.200 -91.000 TRP 45 1.040 7.137 -5.024 65.316 -99.200 -91.000 TRP6 45 1.020 9.406 -4.661 65.844 -99.200 -91.000 HIS 52 0.900 11.139 -5.381 59.128 -99.200 -91.000 TRP 53 1.040 10.710 -0.037 65.337 -99.200 -91.000 TRP6 53 1.020 8.563 0.507 66.145 -99.200 -91.000 TYR 65 0.840 18.060 5.406 54.295 -99.200 -91.000 TYR 68 0.840 26.748 10.180 60.469 -99.200 -91.000 HIS 70 0.900 19.768 9.360 67.811 -99.200 -91.000 PHE 71 1.000 16.940 6.071 62.929 -99.200 -91.000 PHE 77 1.000 21.075 -6.314 52.362 -99.200 -91.000 TYR 86 0.840 25.410 -5.472 53.480 -99.200 -91.000 PHE 88 1.000 28.561 -7.724 50.232 -99.200 -91.000 PHE 101 1.000 37.486 1.319 53.751 -99.200 -91.000 PHE 140 1.000 13.987 -5.128 28.145 -99.200 -91.000 TYR 144 0.840 18.941 -3.786 26.252 -99.200 -91.000 PHE 148 1.000 23.033 -1.635 28.125 -99.200 -91.000 PHE 153 1.000 30.540 -5.919 38.018 -99.200 -91.000 HIS 166 0.900 29.013 -19.479 41.364 -99.200 -91.000 TYR 169 0.840 21.699 -19.749 43.065 -99.200 -91.000 PHE 183 1.000 23.769 -11.018 53.003 -99.200 -91.000 TYR 191 0.840 32.920 -11.455 51.206 -99.200 -91.000 TYR 193 0.840 34.018 -15.144 40.643 -99.200 -91.000 PHE 246 1.000 14.592 2.294 36.521 -99.200 -91.000 PHE 249 1.000 10.391 -3.216 38.701 -99.200 -91.000 PHE 253 1.000 4.978 4.298 32.078 -99.200 -91.000 HIS 260 0.900 3.509 8.084 29.720 -99.200 -91.000 PHE 282 1.000 7.400 2.137 36.630 -99.200 -91.000 TYR 295 0.840 16.022 9.250 67.911 -99.200 -91.000 PHE 297 1.000 12.719 8.895 63.204 -99.200 -91.000 HIS 298 0.900 9.208 12.245 62.745 -99.200 -91.000 HIS 327 0.900 0.280 11.463 35.388 -99.200 -91.000 PHE 330 1.000 8.293 9.963 30.262 -99.200 -91.000 HIS 337 0.900 15.075 10.137 42.699 -99.200 -91.000 PHE 340 1.000 20.203 6.182 41.087 -99.200 -91.000 HIS 342 0.900 18.116 11.937 52.038 -99.200 -91.000 HIS 345 0.900 26.547 4.275 54.021 -99.200 -91.000 HIS 351 0.900 27.012 10.257 39.021 -99.200 -91.000 TRP 364 1.040 13.206 -1.170 22.646 -99.200 -91.000 TRP6 364 1.020 13.988 -3.369 23.017 -99.200 -91.000 PHE 371 1.000 8.583 -0.893 23.380 -99.200 -91.000 HIS 381 0.900 5.955 -5.775 38.731 -99.200 -91.000 TRP 396 1.040 9.834 -5.728 17.429 -99.200 -91.000 TRP6 396 1.020 10.793 -6.686 19.368 -99.200 -91.000