============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 23 rings ring int. center anis. iso. HIS 2 0.900 17.679 3.660 13.780 -99.200 -91.000 TRP 9 1.040 26.755 8.703 22.844 -99.200 -91.000 TRP6 9 1.020 28.191 9.587 24.496 -99.200 -91.000 TYR 33 0.840 29.094 24.246 13.466 -99.200 -91.000 PHE 36 1.000 20.351 20.444 19.794 -99.200 -91.000 TRP 59 1.040 17.446 23.179 24.052 -99.200 -91.000 TRP6 59 1.020 15.294 22.468 24.685 -99.200 -91.000 PHE 91 1.000 7.307 19.918 -6.101 -99.200 -91.000 TRP 118 1.040 20.172 31.110 13.391 -99.200 -91.000 TRP6 118 1.020 19.989 29.673 11.529 -99.200 -91.000 TRP 123 1.040 26.254 30.560 8.715 -99.200 -91.000 TRP6 123 1.020 27.619 30.336 6.806 -99.200 -91.000 TYR 125 0.840 24.560 21.082 13.257 -99.200 -91.000 PHE 128 1.000 20.185 25.992 7.274 -99.200 -91.000 TYR 129 0.840 18.743 23.581 -1.099 -99.200 -91.000 TRP 158 1.040 10.814 36.772 7.382 -99.200 -91.000 TRP6 158 1.020 11.482 37.691 9.438 -99.200 -91.000 TYR 161 0.840 7.143 37.221 2.895 -99.200 -91.000 TYR 185 0.840 17.422 12.492 12.199 -99.200 -91.000 HIS 187 0.900 14.378 14.486 16.816 -99.200 -91.000 TYR 189 0.840 8.557 21.729 20.110 -99.200 -91.000 TYR 199 0.840 7.298 18.067 9.756 -99.200 -91.000 PHE 204 1.000 10.487 13.662 6.716 -99.200 -91.000