============================================================================= 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 3 0.840 -2.180 36.197 13.193 -99.200 -91.000 PHE 44 1.000 -2.113 13.972 6.694 -99.200 -91.000 PHE 54 1.000 -1.116 19.757 5.564 -99.200 -91.000 TYR 60 0.840 8.935 5.126 15.704 -99.200 -91.000