============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. TYR 3 0.840 9.343 8.785 -0.168 -99.200 -91.000 PHE 9 1.000 7.923 8.627 -9.425 -99.200 -91.000 HIS 18 0.900 6.283 12.699 -25.139 -99.200 -91.000 TYR 20 0.840 12.934 6.769 -18.882 -99.200 -91.000 PHE 21 1.000 7.467 8.444 -18.444 -99.200 -91.000 PHE 26 1.000 11.357 -8.355 -21.757 -99.200 -91.000