============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. TYR 11 0.840 -20.566 2.784 -10.285 -99.200 -91.000 HIS 14 0.900 -31.006 1.702 -14.553 -99.200 -91.000 PHE 23 1.000 -26.334 -3.874 -17.823 -99.200 -91.000 TYR 27 0.840 -14.778 5.521 -13.287 -99.200 -91.000 PHE 31 1.000 -6.209 2.340 -14.035 -99.200 -91.000 HIS 32 0.900 0.740 6.527 -16.158 -99.200 -91.000 HIS 52 0.900 -11.963 -4.201 -21.058 -99.200 -91.000 PHE 57 1.000 -4.883 9.875 -22.099 -99.200 -91.000 TRP 61 1.040 -0.574 13.839 -18.789 -99.200 -91.000 TRP6 61 1.020 -1.001 13.929 -21.119 -99.200 -91.000 PHE 63 1.000 -3.227 5.100 -18.815 -99.200 -91.000 TYR 64 0.840 -11.687 7.660 -18.003 -99.200 -91.000 TYR 67 0.840 -12.412 -4.152 -16.225 -99.200 -91.000 TYR 68 0.840 -19.961 -2.861 -19.716 -99.200 -91.000 PHE 71 1.000 -26.182 -6.326 -9.639 -99.200 -91.000 TYR 79 0.840 -24.088 -9.835 -6.942 -99.200 -91.000 HIS 85 0.900 -1.747 -0.074 -11.063 -99.200 -91.000 TRP 96 1.040 -23.595 -2.916 -5.085 -99.200 -91.000 TRP6 96 1.020 -25.664 -4.052 -4.887 -99.200 -91.000