============================================================================= 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 2 1.000 35.267 80.620 114.979 -99.200 -91.000 PHE 7 1.000 31.706 75.618 108.435 -99.200 -91.000 PHE 20 1.000 47.167 72.124 91.587 -99.200 -91.000 PHE 34 1.000 54.603 78.580 100.479 -99.200 -91.000 TYR 37 0.840 53.607 84.190 102.857 -99.200 -91.000