============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 7 rings ring int. center anis. iso. PHE 1 1.000 -19.884 3.078 0.616 -99.200 -91.000 HIS 5 0.900 -8.049 2.224 14.507 -99.200 -91.000 HIS 10 0.900 -2.575 1.474 6.466 -99.200 -91.000 TYR 16 0.840 -6.175 7.469 -5.662 -99.200 -91.000 PHE 24 1.000 -6.409 12.948 -1.038 -99.200 -91.000 PHE 25 1.000 -8.088 20.878 -0.707 -99.200 -91.000 TYR 26 0.840 -2.684 13.606 5.633 -99.200 -91.000