============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 8 1.000 25.232 23.551 51.014 -99.200 -91.000 HIS 18 0.900 29.648 28.337 49.393 -99.200 -91.000 PHE 22 1.000 23.407 21.860 46.465 -99.200 -91.000 PHE 32 1.000 19.811 21.360 50.211 -99.200 -91.000 TYR 33 0.840 17.767 23.601 58.773 -99.200 -91.000 PHE 54 1.000 -11.701 28.031 56.388 -99.200 -91.000 PHE 55 1.000 -6.132 24.529 59.447 -99.200 -91.000 HIS 57 0.900 -11.019 32.205 65.276 -99.200 -91.000 PHE 77 1.000 -10.883 21.782 57.479 -99.200 -91.000 TYR 80 0.840 -4.669 12.428 64.381 -99.200 -91.000 TYR 84 0.840 -5.899 25.566 51.856 -99.200 -91.000 PHE 93 1.000 -7.219 29.536 46.581 -99.200 -91.000 PHE 98 1.000 -6.868 30.279 52.829 -99.200 -91.000 TRP 102 1.040 -2.807 30.369 52.500 -99.200 -91.000 TRP6 102 1.020 -1.548 28.424 53.022 -99.200 -91.000 TYR 105 0.840 3.411 29.798 52.310 -99.200 -91.000 PHE 106 1.000 1.456 25.945 44.604 -99.200 -91.000 TYR 110 0.840 5.630 25.013 40.659 -99.200 -91.000 PHE 135 1.000 12.752 16.262 36.792 -99.200 -91.000 PHE 144 1.000 -0.248 25.746 58.023 -99.200 -91.000 TYR 146 0.840 -3.259 23.113 65.529 -99.200 -91.000 PHE 147 1.000 1.579 18.090 62.374 -99.200 -91.000 HIS 156 0.900 7.864 10.103 55.655 -99.200 -91.000 TYR 157 0.840 12.120 5.801 50.228 -99.200 -91.000 PHE 174 1.000 9.570 16.971 71.141 -99.200 -91.000 PHE 185 1.000 15.749 8.374 62.444 -99.200 -91.000 TYR 190 0.840 10.902 28.909 63.458 -99.200 -91.000 PHE 198 1.000 13.425 16.070 55.297 -99.200 -91.000 HIS 216 0.900 11.562 12.642 55.758 -99.200 -91.000 HIS 217 0.900 11.891 10.085 63.526 -99.200 -91.000 PHE 236 1.000 5.771 23.556 46.396 -99.200 -91.000 PHE 237 1.000 5.049 15.855 49.894 -99.200 -91.000 PHE 244 1.000 11.623 11.477 35.440 -99.200 -91.000 PHE 246 1.000 12.002 5.478 35.667 -99.200 -91.000 PHE 256 1.000 14.894 4.551 42.723 -99.200 -91.000 PHE 267 1.000 5.954 9.736 39.575 -99.200 -91.000 TRP 270 1.040 9.071 3.055 40.444 -99.200 -91.000 TRP6 270 1.020 9.652 4.944 41.761 -99.200 -91.000 TYR 275 0.840 1.548 12.778 41.062 -99.200 -91.000