============================================================================= 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 4.434 79.387 50.900 -99.200 -91.000 PHE 6 1.000 0.554 72.886 54.434 -99.200 -91.000 PHE 19 1.000 12.841 65.453 72.416 -99.200 -91.000 PHE 33 1.000 20.967 75.063 67.497 -99.200 -91.000 TYR 36 0.840 22.870 75.659 62.182 -99.200 -91.000