============================================================================= 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. PHE 1 1.000 -6.675 8.627 1.541 -99.200 -91.000 HIS 5 0.900 1.355 0.739 -0.926 -99.200 -91.000 HIS 10 0.900 9.796 4.288 4.612 -99.200 -91.000 TYR 16 0.840 13.448 -8.616 8.972 -99.200 -91.000 PHE 24 1.000 6.220 -7.392 10.823 -99.200 -91.000 PHE 25 1.000 -0.496 -12.251 12.059 -99.200 -91.000