============================================================================= 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. TRP 13 1.040 45.792 -18.021 -4.773 -99.200 -91.000 TRP6 13 1.020 46.767 -17.738 -6.920 -99.200 -91.000 PHE 14 1.000 42.079 -9.838 -4.345 -99.200 -91.000 PHE 35 1.000 49.409 -7.584 -11.401 -99.200 -91.000 HIS 43 0.900 54.031 -1.286 -22.854 -99.200 -91.000 PHE 55 1.000 48.785 -19.908 -26.727 -99.200 -91.000 HIS 66 0.900 49.747 -6.006 -6.834 -99.200 -91.000 PHE 69 1.000 59.708 -3.674 -7.155 -99.200 -91.000 HIS 71 0.900 56.045 4.033 -4.348 -99.200 -91.000 HIS 72 0.900 56.541 -2.660 0.314 -99.200 -91.000 PHE 82 1.000 45.410 -2.719 -11.788 -99.200 -91.000 HIS 84 0.900 34.438 -3.597 -10.828 -99.200 -91.000 TYR 86 0.840 43.290 -0.645 -15.400 -99.200 -91.000 PHE 90 1.000 45.077 -12.664 -15.766 -99.200 -91.000 TYR 107 0.840 59.371 -18.422 -9.642 -99.200 -91.000 HIS 126 0.900 62.535 -14.261 -14.574 -99.200 -91.000 HIS 127 0.900 60.684 -13.983 -22.215 -99.200 -91.000 PHE 128 1.000 62.938 -5.963 -15.764 -99.200 -91.000