============================================================================= 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. TYR 6 0.840 17.122 17.018 27.979 -99.200 -91.000 PHE 26 1.000 19.546 16.424 31.565 -99.200 -91.000