============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 1 0.840 10.112 -12.963 52.303 -99.200 -91.000 TRP 7 1.040 12.008 -8.044 44.114 -99.200 -91.000 TRP6 7 1.020 14.258 -8.587 43.609 -99.200 -91.000 HIS 8 0.900 15.871 -3.650 49.861 -99.200 -91.000 PHE 16 1.000 1.860 -2.733 33.451 -99.200 -91.000 TYR 27 0.840 -0.342 8.466 22.368 -99.200 -91.000 PHE 47 1.000 4.876 -1.862 28.885 -99.200 -91.000 PHE 51 1.000 6.245 -6.929 32.990 -99.200 -91.000 TYR 64 0.840 11.210 -3.197 28.396 -99.200 -91.000 PHE 82 1.000 15.368 15.241 24.237 -99.200 -91.000 TRP 83 1.040 10.625 15.661 31.251 -99.200 -91.000 TRP6 83 1.020 10.687 14.925 33.495 -99.200 -91.000 HIS 91 0.900 5.854 15.884 31.607 -99.200 -91.000 TYR 93 0.840 7.920 24.631 26.467 -99.200 -91.000 TYR 109 0.840 -1.633 8.742 27.585 -99.200 -91.000 TRP 116 1.040 7.017 -2.704 33.919 -99.200 -91.000 TRP6 116 1.020 6.874 -0.389 33.492 -99.200 -91.000 TRP 128 1.040 2.143 -9.702 46.567 -99.200 -91.000 TRP6 128 1.020 0.265 -8.979 47.806 -99.200 -91.000 TRP 133 1.040 18.914 2.658 38.843 -99.200 -91.000 TRP6 133 1.020 20.469 4.080 39.916 -99.200 -91.000 TYR 141 0.840 12.598 -7.372 32.568 -99.200 -91.000 PHE 145 1.000 8.850 1.685 28.999 -99.200 -91.000 TRP 146 1.040 10.215 4.763 32.635 -99.200 -91.000 TRP6 146 1.020 8.827 6.110 31.256 -99.200 -91.000 PHE 153 1.000 11.709 11.935 23.554 -99.200 -91.000 PHE 173 1.000 24.017 17.577 31.938 -99.200 -91.000 PHE 179 1.000 18.945 16.531 29.143 -99.200 -91.000 TRP 196 1.040 13.836 27.364 26.374 -99.200 -91.000 TRP6 196 1.020 13.598 29.689 25.980 -99.200 -91.000 HIS 199 0.900 13.474 32.522 38.666 -99.200 -91.000 PHE 228 1.000 23.436 24.398 25.553 -99.200 -91.000 PHE 239 1.000 9.816 27.422 29.586 -99.200 -91.000