============================================================================= 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 -43.365 98.211 -19.064 -99.200 -91.000 PHE 36 1.000 -25.677 96.611 -14.131 -99.200 -91.000 PHE 37 1.000 -28.224 101.879 -16.169 -99.200 -91.000 PHE 74 1.000 -34.227 86.396 -7.348 -99.200 -91.000