============================================================================= 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 -3.977 61.963 41.342 -99.200 -91.000 PHE 45 1.000 3.195 60.332 31.742 -99.200 -91.000 TYR 59 0.840 9.724 64.450 29.893 -99.200 -91.000 HIS 68 0.900 4.249 54.718 38.420 -99.200 -91.000