============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 15 rings ring int. center anis. iso. TYR 15 0.840 -1.049 -24.869 0.590 -99.200 -91.000 TYR 31 0.840 5.250 -26.850 0.733 -99.200 -91.000 PHE 41 1.000 7.771 -13.251 7.698 -99.200 -91.000 HIS 47 0.900 15.892 -26.624 3.974 -99.200 -91.000 PHE 55 1.000 3.145 -26.363 9.470 -99.200 -91.000 TYR 56 0.840 1.343 -28.387 5.180 -99.200 -91.000 HIS 74 0.900 2.787 -11.190 -15.295 -99.200 -91.000 PHE 82 1.000 -4.795 -20.099 3.736 -99.200 -91.000 TRP 88 1.040 -6.782 -25.835 20.747 -99.200 -91.000 TRP6 88 1.020 -6.082 -23.590 21.030 -99.200 -91.000 PHE 103 1.000 3.901 -21.854 -6.582 -99.200 -91.000 HIS 106 0.900 12.379 -28.325 -11.964 -99.200 -91.000 TYR 115 0.840 3.372 -12.472 5.689 -99.200 -91.000 TRP 116 1.040 -0.815 -18.063 11.119 -99.200 -91.000 TRP6 116 1.020 -1.028 -18.762 13.375 -99.200 -91.000