============================================================================= 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 7.354 -1.066 24.926 -99.200 -91.000 PHE 45 1.000 14.338 2.748 16.028 -99.200 -91.000 TYR 59 0.840 16.325 10.597 14.637 -99.200 -91.000 HIS 68 0.900 18.231 -0.998 22.120 -99.200 -91.000