============================================================================= 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 8 1.000 -24.400 4.447 23.701 -99.200 -91.000 PHE 39 1.000 -11.883 1.972 28.078 -99.200 -91.000 HIS 42 0.900 -7.200 -0.281 34.527 -99.200 -91.000 PHE 71 1.000 -12.016 -7.470 22.741 -99.200 -91.000