============================================================================= 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 28 1.000 0.754 24.310 9.084 -99.200 -91.000 PHE 50 1.000 2.641 11.544 6.233 -99.200 -91.000 TYR 71 0.840 -3.576 13.692 13.466 -99.200 -91.000 HIS 75 0.900 -3.471 10.770 15.586 -99.200 -91.000