============================================================================= 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 16.055 31.018 67.135 -99.200 -91.000 PHE 49 1.000 6.734 40.536 65.817 -99.200 -91.000 PHE 65 1.000 4.921 29.336 71.285 -99.200 -91.000 PHE 84 1.000 8.103 30.250 62.708 -99.200 -91.000