============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 4 rings ring int. center anis. iso. PHE 4 1.000 -2.262 24.995 -10.629 -99.200 -91.000 PHE 45 1.000 -5.910 14.868 -14.994 -99.200 -91.000 TYR 59 0.840 -9.945 13.344 -21.553 -99.200 -91.000 HIS 68 0.900 2.496 16.606 -16.167 -99.200 -91.000