============================================================================= 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. TYR 4 0.840 23.676 41.507 12.962 -99.200 -91.000 PHE 5 1.000 28.432 35.080 15.433 -99.200 -91.000 PHE 14 1.000 30.326 35.065 18.536 -99.200 -91.000 TYR 40 0.840 20.306 38.644 15.423 -99.200 -91.000 HIS 50 0.900 33.395 43.919 29.612 -99.200 -91.000