============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 14 1.000 -15.313 22.985 71.009 -99.200 -91.000 PHE 18 1.000 -9.657 28.700 82.945 -99.200 -91.000 PHE 24 1.000 -15.478 30.701 74.776 -99.200 -91.000 TYR 37 0.840 -9.250 18.669 79.092 -99.200 -91.000 TRP 41 1.040 -12.155 25.645 90.328 -99.200 -91.000 TRP6 41 1.020 -10.223 26.178 91.595 -99.200 -91.000 TYR 44 0.840 -22.816 23.223 94.318 -99.200 -91.000 TYR 49 0.840 -19.319 20.964 80.099 -99.200 -91.000 PHE 53 1.000 -22.653 21.080 76.856 -99.200 -91.000 HIS 72 0.900 -6.315 22.000 71.966 -99.200 -91.000 PHE 79 1.000 -8.247 35.117 80.875 -99.200 -91.000 PHE 84 1.000 -7.299 40.073 85.581 -99.200 -91.000 PHE 93 1.000 -1.467 39.354 84.835 -99.200 -91.000 PHE 101 1.000 -2.388 34.860 79.152 -99.200 -91.000 PHE 102 1.000 0.621 34.981 83.824 -99.200 -91.000 PHE 117 1.000 -13.796 32.846 70.637 -99.200 -91.000 PHE 124 1.000 -7.440 40.575 80.718 -99.200 -91.000 HIS 127 0.900 -5.847 44.895 86.376 -99.200 -91.000 TYR 145 0.840 -0.724 30.583 68.931 -99.200 -91.000 PHE 147 1.000 -4.055 39.816 72.290 -99.200 -91.000 HIS 148 0.900 -6.287 39.468 64.652 -99.200 -91.000 TYR 157 0.840 -21.913 42.277 67.852 -99.200 -91.000 TYR 167 0.840 -16.519 38.835 73.228 -99.200 -91.000 PHE 171 1.000 -7.318 33.629 63.458 -99.200 -91.000 PHE 180 1.000 -11.270 37.375 64.054 -99.200 -91.000 PHE 182 1.000 -12.433 41.166 67.420 -99.200 -91.000 PHE 186 1.000 -27.034 41.847 64.720 -99.200 -91.000 PHE 191 1.000 -35.803 46.862 72.257 -99.200 -91.000 HIS 204 0.900 -40.780 31.950 91.810 -99.200 -91.000 TYR 242 0.840 -31.107 49.030 86.043 -99.200 -91.000 TYR 254 0.840 -17.975 35.032 92.654 -99.200 -91.000 PHE 259 1.000 -35.090 44.404 93.364 -99.200 -91.000 TYR 265 0.840 -34.605 43.932 84.662 -99.200 -91.000 HIS 275 0.900 -37.478 31.018 86.315 -99.200 -91.000 TYR 285 0.840 -25.989 29.658 78.131 -99.200 -91.000 TYR 289 0.840 -27.227 25.026 79.500 -99.200 -91.000 HIS 292 0.900 -26.857 23.092 90.139 -99.200 -91.000 TYR 299 0.840 -31.199 33.907 90.183 -99.200 -91.000 PHE 302 1.000 -28.046 30.552 83.000 -99.200 -91.000 TYR 313 0.840 -24.000 37.017 65.272 -99.200 -91.000 TYR 316 0.840 -20.429 32.055 59.235 -99.200 -91.000 PHE 324 1.000 -9.635 34.293 50.794 -99.200 -91.000 TYR 327 0.840 -5.178 25.812 44.412 -99.200 -91.000