============================================================================= 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 32.479 42.877 71.260 -99.200 -91.000 PHE 49 1.000 26.955 51.498 79.849 -99.200 -91.000 PHE 65 1.000 35.390 54.532 70.558 -99.200 -91.000 PHE 84 1.000 36.966 48.141 77.316 -99.200 -91.000