============================================================================= 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. TYR 6 0.840 90.016 -4.507 37.640 -99.200 -91.000 PHE 19 1.000 107.156 0.988 22.902 -99.200 -91.000 HIS 25 0.900 108.943 -10.353 17.006 -99.200 -91.000 TYR 26 0.840 109.569 -4.875 15.401 -99.200 -91.000