============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 2 rings ring int. center anis. iso. PHE 10 1.000 31.036 9.703 18.024 -99.200 -91.000 TYR 26 0.840 24.717 6.784 2.511 -99.200 -91.000