============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. PHE 5 1.000 14.977 22.753 0.969 -99.200 -91.000 PHE 10 1.000 8.542 15.907 13.724 -99.200 -91.000 TRP 15 1.040 10.528 16.867 28.213 -99.200 -91.000 TRP6 15 1.020 11.088 17.933 26.175 -99.200 -91.000 PHE 24 1.000 8.360 25.753 13.809 -99.200 -91.000 TYR 26 0.840 8.099 20.621 11.359 -99.200 -91.000 TRP 37 1.040 16.104 14.401 17.893 -99.200 -91.000 TRP6 37 1.020 17.791 12.815 18.382 -99.200 -91.000 HIS 42 0.900 22.906 10.352 18.524 -99.200 -91.000 TYR 54 0.840 24.450 13.396 -3.072 -99.200 -91.000 TRP 63 1.040 30.928 12.927 8.381 -99.200 -91.000 TRP6 63 1.020 31.375 15.252 8.425 -99.200 -91.000 HIS 66 0.900 28.363 11.257 -2.416 -99.200 -91.000 PHE 70 1.000 28.201 17.065 4.904 -99.200 -91.000 PHE 78 1.000 26.230 17.477 10.230 -99.200 -91.000 HIS 96 0.900 23.707 17.774 27.659 -99.200 -91.000 TYR 100 0.840 39.453 13.371 30.489 -99.200 -91.000 TYR 101 0.840 32.776 12.316 33.472 -99.200 -91.000 TRP 116 1.040 18.997 25.418 25.157 -99.200 -91.000 TRP6 116 1.020 19.076 25.646 27.524 -99.200 -91.000 TYR 117 0.840 16.303 32.797 18.167 -99.200 -91.000 TYR 129 0.840 23.302 29.471 31.530 -99.200 -91.000 HIS 131 0.900 26.217 25.024 40.611 -99.200 -91.000 TRP 147 1.040 15.193 19.908 43.610 -99.200 -91.000 TRP6 147 1.020 17.193 19.081 42.676 -99.200 -91.000 PHE 161 1.000 23.233 31.844 21.173 -99.200 -91.000 TYR 162 0.840 19.216 32.648 27.755 -99.200 -91.000 TYR 163 0.840 28.813 28.499 24.109 -99.200 -91.000 HIS 170 0.900 21.584 21.861 30.519 -99.200 -91.000 TYR 189 0.840 27.046 11.952 32.206 -99.200 -91.000 TYR 192 0.840 13.507 16.558 41.076 -99.200 -91.000 TYR 194 0.840 10.959 18.767 37.580 -99.200 -91.000 HIS 207 0.900 22.217 9.014 33.395 -99.200 -91.000 PHE 208 1.000 23.562 12.808 43.424 -99.200 -91.000 HIS 219 0.900 26.572 28.957 36.004 -99.200 -91.000 TYR 223 0.840 29.920 39.953 27.110 -99.200 -91.000 PHE 239 1.000 21.602 34.822 18.052 -99.200 -91.000 TYR 244 0.840 33.302 22.458 21.885 -99.200 -91.000 PHE 245 1.000 27.654 25.291 19.247 -99.200 -91.000 TYR 248 0.840 27.102 33.214 12.104 -99.200 -91.000 TRP 250 1.040 21.821 34.346 7.773 -99.200 -91.000 TRP6 250 1.020 21.900 32.769 6.014 -99.200 -91.000 PHE 263 1.000 28.884 21.492 7.483 -99.200 -91.000 TYR 277 0.840 20.619 27.208 -6.795 -99.200 -91.000 HIS 289 0.900 14.404 22.582 10.484 -99.200 -91.000 PHE 290 1.000 17.940 26.102 3.673 -99.200 -91.000 PHE 298 1.000 22.566 31.769 -0.570 -99.200 -91.000 HIS 310 0.900 30.289 28.918 10.528 -99.200 -91.000