============================================================================= 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 16 1.000 -58.727 -31.487 35.113 -99.200 -91.000 PHE 37 1.000 -68.866 -9.049 40.911 -99.200 -91.000 TYR 50 0.840 -79.991 -23.245 48.239 -99.200 -91.000 TYR 52 0.840 -73.290 -26.568 49.206 -99.200 -91.000 HIS 62 0.900 -47.856 -34.085 38.447 -99.200 -91.000 PHE 72 1.000 -45.018 -28.214 38.728 -99.200 -91.000