============================================================================= 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 11 1.000 -41.267 110.510 11.429 -99.200 -91.000 PHE 36 1.000 -46.883 101.692 -3.590 -99.200 -91.000 PHE 37 1.000 -45.763 106.765 -3.107 -99.200 -91.000 PHE 74 1.000 -41.143 92.034 6.838 -99.200 -91.000