============================================================================= 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 35.946 38.435 20.014 -99.200 -91.000 PHE 45 1.000 41.901 45.845 27.595 -99.200 -91.000 TYR 59 0.840 48.884 48.997 26.654 -99.200 -91.000 HIS 68 0.900 35.238 49.672 22.533 -99.200 -91.000