============================================================================= 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 8.762 -20.153 -27.336 -99.200 -91.000 PHE 23 1.000 3.790 -22.756 -24.746 -99.200 -91.000 TRP 31 1.040 -0.377 -24.313 -20.248 -99.200 -91.000 TRP6 31 1.020 -2.169 -23.072 -21.160 -99.200 -91.000 PHE 34 1.000 -2.267 -21.897 -32.225 -99.200 -91.000 HIS 46 0.900 1.971 -7.707 -37.536 -99.200 -91.000 PHE 54 1.000 -6.542 -17.412 -31.942 -99.200 -91.000 TYR 59 0.840 -5.680 -20.462 -28.607 -99.200 -91.000 TYR 68 0.840 13.750 -6.033 -24.238 -99.200 -91.000 TRP 69 1.040 13.472 -6.427 -18.722 -99.200 -91.000 TRP6 69 1.020 13.523 -4.168 -19.413 -99.200 -91.000 PHE 77 1.000 9.855 -9.890 -8.891 -99.200 -91.000 HIS 78 0.900 7.719 -9.579 -13.297 -99.200 -91.000 HIS 80 0.900 7.434 -17.319 -17.558 -99.200 -91.000 PHE 85 1.000 -5.701 -15.052 -25.529 -99.200 -91.000 TYR 95 0.840 -9.268 -12.899 -29.869 -99.200 -91.000 TYR 104 0.840 13.068 -5.379 -9.638 -99.200 -91.000 TYR 106 0.840 3.981 -8.974 -16.535 -99.200 -91.000