============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 5 rings ring int. center anis. iso. PHE 3 1.000 0.193 16.963 138.055 -99.200 -91.000 HIS 56 0.900 5.612 30.048 130.496 -99.200 -91.000 TYR 59 0.840 -0.338 29.409 137.479 -99.200 -91.000 TYR 68 0.840 -0.293 21.083 134.069 -99.200 -91.000 TYR 70 0.840 4.759 19.669 136.901 -99.200 -91.000