============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. TYR 15 0.840 28.976 34.414 29.225 -99.200 -91.000 PHE 22 1.000 44.590 33.619 33.185 -99.200 -91.000 HIS 23 0.900 54.187 35.875 32.026 -99.200 -91.000 HIS 24 0.900 58.198 34.661 36.040 -99.200 -91.000 PHE 27 1.000 60.336 27.651 45.547 -99.200 -91.000 TRP 33 1.040 57.818 31.175 50.750 -99.200 -91.000 TRP6 33 1.020 59.713 29.841 50.263 -99.200 -91.000 TYR 42 0.840 41.753 38.112 50.640 -99.200 -91.000 HIS 54 0.900 61.365 32.965 33.374 -99.200 -91.000 TYR 57 0.840 67.055 33.670 34.354 -99.200 -91.000 HIS 60 0.900 66.530 33.867 42.778 -99.200 -91.000 HIS 68 0.900 61.488 22.610 36.343 -99.200 -91.000 PHE 72 1.000 49.560 23.883 41.802 -99.200 -91.000 HIS 99 0.900 61.117 34.399 27.170 -99.200 -91.000 PHE 100 1.000 54.671 30.644 22.243 -99.200 -91.000 PHE 104 1.000 43.195 26.490 33.366 -99.200 -91.000 TYR 116 0.840 61.366 25.569 19.452 -99.200 -91.000 PHE 120 1.000 56.144 25.762 22.910 -99.200 -91.000 PHE 129 1.000 44.466 29.539 26.769 -99.200 -91.000 PHE 130 1.000 49.412 33.072 28.505 -99.200 -91.000 TRP 131 1.040 54.912 34.980 21.339 -99.200 -91.000 TRP6 131 1.020 54.681 35.954 19.203 -99.200 -91.000 HIS 133 0.900 58.031 38.102 27.125 -99.200 -91.000 TRP 136 1.040 61.418 41.854 27.144 -99.200 -91.000 TRP6 136 1.020 62.615 39.860 27.567 -99.200 -91.000 TRP 146 1.040 53.107 34.825 12.933 -99.200 -91.000 TRP6 146 1.020 51.602 34.397 14.696 -99.200 -91.000 TRP 147 1.040 60.237 36.256 14.696 -99.200 -91.000 TRP6 147 1.020 62.583 36.028 14.637 -99.200 -91.000 HIS 150 0.900 56.721 33.567 17.015 -99.200 -91.000 TYR 154 0.840 47.094 29.835 14.642 -99.200 -91.000 HIS 159 0.900 45.814 26.312 23.009 -99.200 -91.000 HIS 167 0.900 53.882 49.384 34.725 -99.200 -91.000 TYR 169 0.840 48.253 48.893 23.730 -99.200 -91.000 TRP 175 1.040 50.385 39.383 14.732 -99.200 -91.000 TRP6 175 1.020 52.270 39.632 16.138 -99.200 -91.000 HIS 189 0.900 60.012 38.626 36.443 -99.200 -91.000 TYR 196 0.840 51.540 46.925 38.231 -99.200 -91.000 PHE 198 1.000 48.847 48.315 43.876 -99.200 -91.000 HIS 203 0.900 44.734 48.322 36.194 -99.200 -91.000 PHE 207 1.000 38.436 43.601 33.878 -99.200 -91.000 PHE 209 1.000 34.248 39.683 30.162 -99.200 -91.000 TYR 230 0.840 41.611 47.602 34.350 -99.200 -91.000 PHE 231 1.000 49.158 48.712 29.234 -99.200 -91.000 HIS 232 0.900 49.836 51.527 32.067 -99.200 -91.000 PHE 245 1.000 33.347 45.262 31.220 -99.200 -91.000 PHE 246 1.000 30.447 52.971 27.026 -99.200 -91.000 HIS 281 0.900 28.736 65.748 15.491 -99.200 -91.000 TYR 287 0.840 27.265 64.623 20.315 -99.200 -91.000 PHE 288 1.000 30.401 63.728 24.695 -99.200 -91.000 HIS 295 0.900 32.767 53.324 41.593 -99.200 -91.000 TYR 298 0.840 31.121 62.716 34.826 -99.200 -91.000 PHE 304 1.000 16.868 67.641 20.636 -99.200 -91.000 PHE 315 1.000 29.390 57.938 23.375 -99.200 -91.000 PHE 320 1.000 35.553 50.105 27.761 -99.200 -91.000 TYR 330 0.840 27.139 52.518 23.568 -99.200 -91.000