============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 18 1.000 56.702 -33.954 113.156 -99.200 -91.000 HIS 22 0.900 63.932 -37.174 99.408 -99.200 -91.000 HIS 24 0.900 60.071 -38.182 95.624 -99.200 -91.000 PHE 28 1.000 54.910 -37.902 85.423 -99.200 -91.000 TRP 36 1.040 53.471 -45.472 74.277 -99.200 -91.000 TRP6 36 1.020 55.832 -45.362 74.375 -99.200 -91.000 HIS 38 0.900 49.028 -47.299 76.668 -99.200 -91.000 TYR 40 0.840 52.121 -43.136 83.382 -99.200 -91.000 PHE 46 1.000 43.029 -35.298 93.785 -99.200 -91.000 PHE 59 1.000 50.008 -41.212 112.667 -99.200 -91.000 PHE 78 1.000 49.063 -35.557 91.220 -99.200 -91.000 TYR 97 0.840 66.546 -39.015 90.520 -99.200 -91.000 TYR 99 0.840 70.289 -42.681 89.671 -99.200 -91.000 PHE 104 1.000 70.753 -37.568 72.965 -99.200 -91.000 TYR 105 0.840 67.372 -27.337 76.302 -99.200 -91.000 PHE 106 1.000 69.562 -29.629 80.264 -99.200 -91.000 PHE 118 1.000 68.992 -26.347 88.247 -99.200 -91.000 HIS 120 0.900 61.558 -19.193 84.306 -99.200 -91.000 PHE 135 1.000 62.935 -28.701 97.443 -99.200 -91.000 HIS 169 0.900 69.010 -40.629 94.567 -99.200 -91.000 HIS 173 0.900 75.859 -48.912 100.890 -99.200 -91.000 HIS 198 0.900 67.980 -40.832 98.972 -99.200 -91.000 TYR 207 0.840 79.854 -41.548 103.256 -99.200 -91.000 PHE 217 1.000 70.306 -29.106 108.497 -99.200 -91.000 TYR 223 0.840 63.770 -44.597 109.786 -99.200 -91.000 PHE 228 1.000 66.998 -48.262 98.216 -99.200 -91.000 TYR 246 0.840 77.765 -36.480 114.992 -99.200 -91.000 HIS 254 0.900 57.862 -41.669 106.492 -99.200 -91.000 TYR 256 0.840 54.397 -44.184 100.262 -99.200 -91.000 TRP 262 1.040 61.594 -44.927 88.401 -99.200 -91.000 TRP6 262 1.020 63.371 -44.584 89.924 -99.200 -91.000 TYR 269 0.840 58.146 -56.668 91.277 -99.200 -91.000 TRP 277 1.040 58.593 -46.499 101.434 -99.200 -91.000 TRP6 277 1.020 58.469 -46.477 99.071 -99.200 -91.000 PHE 283 1.000 54.325 -38.997 112.280 -99.200 -91.000 PHE 289 1.000 64.453 -48.374 118.691 -99.200 -91.000 PHE 304 1.000 60.860 -36.073 112.769 -99.200 -91.000 PHE 311 1.000 67.854 -27.865 103.724 -99.200 -91.000 PHE 312 1.000 63.104 -25.444 103.206 -99.200 -91.000