============================================================================= 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 1 1.000 40.284 71.966 52.265 -99.200 -91.000 PHE 4 1.000 47.300 66.702 46.636 -99.200 -91.000 PHE 9 1.000 43.052 61.468 52.618 -99.200 -91.000 PHE 22 1.000 38.005 74.171 71.269 -99.200 -91.000 PHE 36 1.000 44.257 83.449 63.074 -99.200 -91.000 TYR 39 0.840 49.315 83.154 61.331 -99.200 -91.000