============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TYR 28 0.840 -34.511 27.193 7.681 -99.200 -91.000 TYR 31 0.840 -35.718 27.408 17.577 -99.200 -91.000 PHE 42 1.000 -43.661 26.856 3.870 -99.200 -91.000 PHE 47 1.000 -44.913 33.999 14.358 -99.200 -91.000 TRP 50 1.040 -41.675 36.093 6.495 -99.200 -91.000 TRP6 50 1.020 -43.778 35.214 5.853 -99.200 -91.000 PHE 63 1.000 -47.817 32.789 9.463 -99.200 -91.000 HIS 89 0.900 -39.583 26.232 -16.719 -99.200 -91.000 TYR 100 0.840 -52.291 41.180 -13.928 -99.200 -91.000 HIS 145 0.900 -61.705 22.473 2.726 -99.200 -91.000 TYR 150 0.840 -47.746 26.373 1.907 -99.200 -91.000 PHE 154 1.000 -48.746 22.686 -4.501 -99.200 -91.000 HIS 156 0.900 -58.988 19.781 -1.845 -99.200 -91.000 PHE 159 1.000 -51.199 15.639 -6.851 -99.200 -91.000 PHE 171 1.000 -45.676 20.099 -0.947 -99.200 -91.000 TYR 178 0.840 -36.217 22.727 -2.606 -99.200 -91.000 HIS 181 0.900 -28.492 26.623 1.651 -99.200 -91.000 PHE 183 1.000 -26.375 37.523 2.344 -99.200 -91.000 PHE 188 1.000 -25.513 39.418 -3.885 -99.200 -91.000 TYR 201 0.840 -46.310 42.415 -4.605 -99.200 -91.000 HIS 216 0.900 -30.662 29.329 -6.772 -99.200 -91.000 HIS 225 0.900 -36.979 17.017 -17.728 -99.200 -91.000 TRP 239 1.040 -27.150 9.414 -18.072 -99.200 -91.000 TRP6 239 1.020 -26.752 10.859 -16.245 -99.200 -91.000 PHE 253 1.000 -24.586 13.813 -7.359 -99.200 -91.000 HIS 255 0.900 -24.341 24.648 -1.624 -99.200 -91.000 TYR 258 0.840 -24.602 22.867 2.690 -99.200 -91.000 HIS 260 0.900 -15.538 17.803 4.053 -99.200 -91.000 TRP 284 1.040 -38.498 6.871 -9.857 -99.200 -91.000 TRP6 284 1.020 -37.687 6.982 -12.068 -99.200 -91.000 TYR 288 0.840 -30.339 9.771 -3.385 -99.200 -91.000 PHE 307 1.000 -28.999 12.384 -6.888 -99.200 -91.000 TYR 313 0.840 -40.737 18.765 -4.866 -99.200 -91.000 TYR 314 0.840 -41.729 10.747 -12.245 -99.200 -91.000 PHE 318 1.000 -46.114 17.978 -6.026 -99.200 -91.000 PHE 323 1.000 -40.427 17.525 -10.208 -99.200 -91.000 PHE 327 1.000 -35.493 25.919 -4.373 -99.200 -91.000 TRP 335 1.040 -35.938 34.027 -2.846 -99.200 -91.000 TRP6 335 1.020 -37.374 33.402 -4.624 -99.200 -91.000 HIS 338 0.900 -31.569 36.294 3.440 -99.200 -91.000 TYR 355 0.840 -12.404 48.820 -21.279 -99.200 -91.000 HIS 358 0.900 -11.693 47.684 -29.849 -99.200 -91.000