============================================================================= 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 34 1.000 29.983 25.722 38.064 -99.200 -91.000 PHE 49 1.000 40.603 17.742 38.461 -99.200 -91.000 PHE 65 1.000 40.730 29.956 40.856 -99.200 -91.000 PHE 84 1.000 37.516 26.551 32.978 -99.200 -91.000