============================================================================= 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 67.935 93.161 -8.514 -99.200 -91.000 PHE 45 1.000 61.884 100.294 -16.004 -99.200 -91.000 TYR 59 0.840 58.019 106.941 -14.681 -99.200 -91.000 HIS 68 0.900 70.817 100.971 -15.951 -99.200 -91.000