============================================================================= 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 2 1.000 16.512 44.237 -1.342 -99.200 -91.000 PHE 7 1.000 13.351 46.373 0.656 -99.200 -91.000 PHE 20 1.000 17.805 62.612 16.487 -99.200 -91.000 TYR 36 0.840 32.655 56.802 9.259 -99.200 -91.000