============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 27 rings ring int. center anis. iso. TYR 6 0.840 -42.880 -30.846 4.980 -99.200 -91.000 TYR 21 0.840 -38.976 -31.968 9.912 -99.200 -91.000 PHE 23 1.000 -34.564 -21.236 11.573 -99.200 -91.000 TRP 28 1.040 -49.121 -13.974 18.520 -99.200 -91.000 TRP6 28 1.020 -49.094 -13.933 20.884 -99.200 -91.000 TYR 34 0.840 -52.784 -13.987 35.952 -99.200 -91.000 TRP 41 1.040 -53.220 -8.783 34.648 -99.200 -91.000 TRP6 41 1.020 -51.326 -9.524 33.436 -99.200 -91.000 PHE 50 1.000 -36.535 -18.238 16.319 -99.200 -91.000 TYR 55 0.840 -39.318 -30.915 19.911 -99.200 -91.000 HIS 57 0.900 -38.333 -24.524 19.978 -99.200 -91.000 PHE 63 1.000 -45.748 -10.709 30.056 -99.200 -91.000 PHE 66 1.000 -52.295 -3.763 34.400 -99.200 -91.000 PHE 78 1.000 -49.801 -18.537 19.654 -99.200 -91.000 PHE 95 1.000 -49.681 -31.191 23.810 -99.200 -91.000 HIS 96 0.900 -54.083 -33.298 17.186 -99.200 -91.000 TYR 102 0.840 -44.043 -30.587 26.104 -99.200 -91.000 TYR 119 0.840 -37.492 -9.963 40.500 -99.200 -91.000 TRP 125 1.040 -48.779 -26.928 33.802 -99.200 -91.000 TRP6 125 1.020 -48.646 -26.691 36.153 -99.200 -91.000 TRP 129 1.040 -53.376 -24.261 20.092 -99.200 -91.000 TRP6 129 1.020 -54.967 -24.897 18.458 -99.200 -91.000 HIS 146 0.900 -48.892 -9.002 42.896 -99.200 -91.000 TRP 151 1.040 -45.942 -11.581 34.244 -99.200 -91.000 TRP6 151 1.020 -46.766 -13.795 34.275 -99.200 -91.000 TYR 158 0.840 -46.901 -25.637 21.580 -99.200 -91.000 PHE 162 1.000 -47.097 -35.775 12.640 -99.200 -91.000