============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 11 1.000 34.197 46.875 77.482 -99.200 -91.000 PHE 16 1.000 39.392 48.222 74.685 -99.200 -91.000 PHE 27 1.000 33.469 64.889 64.688 -99.200 -91.000 TYR 31 0.840 45.427 55.345 68.171 -99.200 -91.000 PHE 40 1.000 35.435 40.918 68.531 -99.200 -91.000 PHE 48 1.000 43.684 63.526 72.524 -99.200 -91.000 HIS 57 0.900 25.127 70.859 72.129 -99.200 -91.000 HIS 68 0.900 20.641 52.852 71.766 -99.200 -91.000 HIS 71 0.900 21.494 45.356 58.371 -99.200 -91.000 TYR 78 0.840 32.233 45.528 68.368 -99.200 -91.000 TYR 80 0.840 28.666 55.063 74.758 -99.200 -91.000 PHE 81 1.000 37.054 53.014 76.885 -99.200 -91.000 HIS 82 0.900 33.504 59.967 80.547 -99.200 -91.000 TYR 88 0.840 39.831 56.467 75.614 -99.200 -91.000 PHE 93 1.000 40.458 45.885 61.116 -99.200 -91.000 TYR 100 0.840 38.243 57.527 49.795 -99.200 -91.000 HIS 106 0.900 38.988 47.279 41.875 -99.200 -91.000 PHE 109 1.000 33.289 49.286 43.554 -99.200 -91.000 PHE 117 1.000 30.170 47.137 47.405 -99.200 -91.000 HIS 126 0.900 12.740 47.689 55.625 -99.200 -91.000 TYR 127 0.840 18.707 47.532 62.214 -99.200 -91.000 HIS 129 0.900 14.986 55.028 55.549 -99.200 -91.000 HIS 135 0.900 24.281 57.699 56.592 -99.200 -91.000 TYR 147 0.840 38.210 37.450 56.067 -99.200 -91.000 PHE 156 1.000 25.015 55.113 61.012 -99.200 -91.000 TRP 158 1.040 26.759 65.748 58.284 -99.200 -91.000 TRP6 158 1.020 26.547 67.680 59.633 -99.200 -91.000 HIS 161 0.900 14.392 58.433 67.075 -99.200 -91.000 TYR 175 0.840 26.744 60.428 46.369 -99.200 -91.000 HIS 186 0.900 15.858 66.758 55.482 -99.200 -91.000 TRP 193 1.040 19.018 62.364 45.096 -99.200 -91.000 TRP6 193 1.020 17.891 63.046 43.128 -99.200 -91.000 TYR 200 0.840 25.451 58.128 36.861 -99.200 -91.000 PHE 202 1.000 28.670 51.672 45.194 -99.200 -91.000 PHE 209 1.000 21.944 64.311 39.005 -99.200 -91.000 HIS 214 0.900 26.191 75.439 43.975 -99.200 -91.000 HIS 218 0.900 20.480 74.698 43.094 -99.200 -91.000 PHE 228 1.000 20.605 56.566 33.614 -99.200 -91.000 PHE 231 1.000 30.265 53.185 31.182 -99.200 -91.000 TYR 246 0.840 11.735 68.345 42.038 -99.200 -91.000 HIS 247 0.900 5.792 64.011 44.441 -99.200 -91.000 HIS 260 0.900 15.518 46.843 39.302 -99.200 -91.000 TRP 262 1.040 21.433 45.390 37.380 -99.200 -91.000 TRP6 262 1.020 22.396 46.568 39.189 -99.200 -91.000 TYR 275 0.840 26.868 33.926 67.833 -99.200 -91.000