============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 5 rings ring int. center anis. iso. PHE 1 1.000 20.033 7.847 59.587 -99.200 -91.000 PHE 6 1.000 16.381 13.240 67.763 -99.200 -91.000 PHE 19 1.000 -5.130 4.497 67.519 -99.200 -91.000 PHE 33 1.000 -1.023 -1.315 56.968 -99.200 -91.000 TYR 36 0.840 1.731 0.752 51.852 -99.200 -91.000