============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TYR 6 0.840 50.134 27.493 36.486 -99.200 -91.000 HIS 15 0.900 52.807 22.508 36.369 -99.200 -91.000 PHE 19 1.000 48.752 18.659 29.075 -99.200 -91.000 PHE 26 1.000 48.222 23.133 33.415 -99.200 -91.000 PHE 39 1.000 52.069 27.941 28.665 -99.200 -91.000 HIS 55 0.900 50.829 37.288 16.201 -99.200 -91.000 HIS 57 0.900 51.520 28.436 15.385 -99.200 -91.000 PHE 60 1.000 57.241 22.459 17.420 -99.200 -91.000 PHE 61 1.000 54.800 23.910 13.441 -99.200 -91.000 TYR 74 0.840 56.884 13.233 17.823 -99.200 -91.000 PHE 76 1.000 54.801 8.062 21.570 -99.200 -91.000 PHE 81 1.000 57.638 5.244 12.871 -99.200 -91.000 TYR 87 0.840 59.329 10.455 13.912 -99.200 -91.000 TYR 91 0.840 69.746 14.104 14.279 -99.200 -91.000 PHE 100 1.000 63.750 6.140 -0.327 -99.200 -91.000 PHE 110 1.000 46.878 10.973 -3.759 -99.200 -91.000 PHE 113 1.000 45.758 5.925 -4.338 -99.200 -91.000 HIS 119 0.900 33.680 -1.834 -5.367 -99.200 -91.000 PHE 124 1.000 30.681 0.298 6.748 -99.200 -91.000 TRP 129 1.040 25.954 3.178 7.398 -99.200 -91.000 TRP6 129 1.020 26.895 5.249 6.776 -99.200 -91.000 PHE 155 1.000 48.196 -2.859 2.576 -99.200 -91.000 PHE 168 1.000 47.720 -3.143 7.932 -99.200 -91.000 PHE 185 1.000 55.549 14.099 28.910 -99.200 -91.000 HIS 201 0.900 58.646 -6.515 19.790 -99.200 -91.000 TYR 237 0.840 67.717 3.430 2.968 -99.200 -91.000 HIS 246 0.900 62.658 -3.942 11.463 -99.200 -91.000 PHE 257 1.000 49.328 4.987 14.930 -99.200 -91.000 HIS 261 0.900 43.875 5.074 15.222 -99.200 -91.000 TRP 269 1.040 36.110 15.565 15.634 -99.200 -91.000 TRP6 269 1.020 34.687 16.094 17.433 -99.200 -91.000 HIS 273 0.900 31.710 19.905 14.213 -99.200 -91.000 HIS 276 0.900 23.807 20.618 16.410 -99.200 -91.000 HIS 282 0.900 28.075 26.287 7.885 -99.200 -91.000 PHE 293 1.000 31.769 17.382 -7.953 -99.200 -91.000 TYR 299 0.840 43.959 13.701 -8.786 -99.200 -91.000 PHE 308 1.000 30.747 24.498 2.738 -99.200 -91.000 TYR 339 0.840 59.686 34.735 27.564 -99.200 -91.000 HIS 355 0.900 44.205 24.140 15.175 -99.200 -91.000 HIS 356 0.900 40.279 25.415 20.787 -99.200 -91.000 PHE 361 1.000 42.302 29.492 13.970 -99.200 -91.000 TRP 367 1.040 32.822 22.409 11.946 -99.200 -91.000 TRP6 367 1.020 31.275 22.257 10.196 -99.200 -91.000 PHE 379 1.000 44.563 23.801 9.919 -99.200 -91.000 PHE 382 1.000 45.890 18.385 7.242 -99.200 -91.000 HIS 387 0.900 60.447 16.816 11.370 -99.200 -91.000 PHE 394 1.000 45.721 7.551 1.001 -99.200 -91.000 PHE 407 1.000 26.533 14.567 5.320 -99.200 -91.000 TYR 410 0.840 23.034 6.066 3.247 -99.200 -91.000 PHE 412 1.000 24.526 10.110 7.590 -99.200 -91.000 TYR 424 0.840 40.484 17.181 24.817 -99.200 -91.000 HIS 425 0.900 40.607 11.026 29.629 -99.200 -91.000 TYR 440 0.840 21.140 3.372 8.140 -99.200 -91.000