============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. TYR 24 0.840 15.144 -3.864 -5.240 -99.200 -91.000 TYR 26 0.840 15.985 -9.756 -3.659 -99.200 -91.000 TYR 57 0.840 15.993 -13.890 -15.742 -99.200 -91.000 PHE 78 1.000 9.666 0.678 -25.808 -99.200 -91.000 TRP 83 1.040 4.354 2.866 -27.060 -99.200 -91.000 TRP6 83 1.020 5.015 3.504 -24.882 -99.200 -91.000 HIS 95 0.900 28.450 -13.976 -4.995 -99.200 -91.000 PHE 104 1.000 20.480 -4.298 -5.968 -99.200 -91.000 TRP 110 1.040 18.728 11.739 -6.815 -99.200 -91.000 TRP6 110 1.020 17.168 11.314 -5.085 -99.200 -91.000 TYR 111 0.840 13.681 13.462 -8.376 -99.200 -91.000