============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 9 1.000 0.942 65.406 22.310 -99.200 -91.000 PHE 17 1.000 -4.286 62.325 23.033 -99.200 -91.000 TYR 39 0.840 7.547 67.738 15.355 -99.200 -91.000 TYR 42 0.840 6.752 62.049 12.966 -99.200 -91.000 TYR 46 0.840 4.220 57.045 12.169 -99.200 -91.000 HIS 50 0.900 5.666 53.231 25.754 -99.200 -91.000 PHE 53 1.000 -3.731 57.204 19.215 -99.200 -91.000 HIS 63 0.900 -9.777 71.434 14.631 -99.200 -91.000 TRP 84 1.040 -5.082 75.686 30.576 -99.200 -91.000 TRP6 84 1.020 -4.510 74.066 28.945 -99.200 -91.000 PHE 99 1.000 5.670 76.815 33.030 -99.200 -91.000 HIS 108 0.900 -0.985 75.328 33.330 -99.200 -91.000 PHE 129 1.000 -2.099 64.718 47.699 -99.200 -91.000 PHE 135 1.000 -3.659 58.891 43.980 -99.200 -91.000 TYR 138 0.840 -7.370 66.586 46.416 -99.200 -91.000 PHE 164 1.000 7.568 41.592 56.773 -99.200 -91.000 HIS 175 0.900 14.796 56.651 35.671 -99.200 -91.000 HIS 189 0.900 23.547 75.568 33.851 -99.200 -91.000 TRP 192 1.040 29.260 70.499 35.850 -99.200 -91.000 TRP6 192 1.020 31.442 71.112 36.520 -99.200 -91.000 PHE 229 1.000 24.945 53.648 40.208 -99.200 -91.000 TYR 251 0.840 13.183 37.344 48.921 -99.200 -91.000 TYR 272 0.840 4.926 37.883 44.286 -99.200 -91.000 PHE 282 1.000 8.393 43.872 34.756 -99.200 -91.000 PHE 290 1.000 9.160 41.646 46.026 -99.200 -91.000 PHE 302 1.000 21.816 44.851 55.426 -99.200 -91.000 TRP 308 1.040 11.886 44.496 37.197 -99.200 -91.000 TRP6 308 1.020 13.736 45.157 35.885 -99.200 -91.000 TYR 309 0.840 10.732 53.024 38.437 -99.200 -91.000 TYR 315 0.840 4.767 60.514 37.254 -99.200 -91.000 HIS 325 0.900 -8.422 60.527 45.583 -99.200 -91.000