============================================================================= 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. PHE 4 1.000 -20.427 -10.160 8.204 -99.200 -91.000 PHE 8 1.000 -19.881 -2.422 7.021 -99.200 -91.000 HIS 10 0.900 -28.526 -0.403 14.618 -99.200 -91.000 PHE 25 1.000 -9.606 -18.297 6.995 -99.200 -91.000 HIS 29 0.900 -5.454 -21.422 5.644 -99.200 -91.000 PHE 44 1.000 -8.804 -11.356 -0.018 -99.200 -91.000 TYR 49 0.840 -3.352 -12.104 -3.516 -99.200 -91.000 TYR 60 0.840 -11.069 -29.748 -6.129 -99.200 -91.000 PHE 61 1.000 -2.573 -27.445 -11.328 -99.200 -91.000 HIS 65 0.900 -5.925 -25.011 -18.235 -99.200 -91.000 PHE 67 1.000 -6.448 -18.217 -11.762 -99.200 -91.000 PHE 68 1.000 -9.518 -14.037 -18.064 -99.200 -91.000 PHE 74 1.000 -17.085 -4.636 -13.570 -99.200 -91.000 PHE 83 1.000 -12.304 -21.361 -11.530 -99.200 -91.000 PHE 85 1.000 -18.694 -14.859 -5.129 -99.200 -91.000 TYR 116 0.840 -18.686 -15.227 9.847 -99.200 -91.000 PHE 119 1.000 -12.780 -17.161 11.490 -99.200 -91.000 TYR 122 0.840 -12.739 -24.235 3.557 -99.200 -91.000