============================================================================= 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 4 1.000 13.725 41.517 -17.909 -99.200 -91.000 PHE 45 1.000 20.877 35.435 -10.474 -99.200 -91.000 TYR 59 0.840 27.531 31.554 -11.780 -99.200 -91.000 HIS 68 0.900 21.564 44.300 -10.504 -99.200 -91.000