============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 18 rings ring int. center anis. iso. HIS 21 0.900 -5.484 -21.401 -5.507 -99.200 -91.000 PHE 23 1.000 0.006 -23.280 -7.972 -99.200 -91.000 TRP 31 1.040 4.608 -24.207 -12.286 -99.200 -91.000 TRP6 31 1.020 6.056 -22.591 -11.376 -99.200 -91.000 PHE 34 1.000 5.746 -21.534 -0.332 -99.200 -91.000 HIS 46 0.900 -0.868 -8.215 5.151 -99.200 -91.000 PHE 54 1.000 9.118 -16.372 -0.208 -99.200 -91.000 TYR 59 0.840 8.866 -19.488 -3.816 -99.200 -91.000 TYR 68 0.840 -12.465 -8.364 -8.172 -99.200 -91.000 TRP 69 1.040 -12.080 -8.530 -13.630 -99.200 -91.000 TRP6 69 1.020 -12.621 -6.350 -12.955 -99.200 -91.000 PHE 77 1.000 -7.981 -11.261 -23.726 -99.200 -91.000 HIS 78 0.900 -5.890 -10.521 -19.291 -99.200 -91.000 HIS 80 0.900 -4.346 -18.199 -14.748 -99.200 -91.000 PHE 85 1.000 8.000 -13.977 -6.953 -99.200 -91.000 TYR 95 0.840 10.913 -11.540 -2.830 -99.200 -91.000 TYR 104 0.840 -12.023 -7.302 -22.740 -99.200 -91.000 TYR 106 0.840 -2.480 -9.310 -15.843 -99.200 -91.000