============================================================================= 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. HIS 5 0.900 38.575 24.715 22.008 -99.200 -91.000 PHE 6 1.000 39.703 32.078 19.395 -99.200 -91.000 PHE 9 1.000 44.994 38.436 12.820 -99.200 -91.000 PHE 14 1.000 44.403 41.384 21.418 -99.200 -91.000 PHE 27 1.000 23.680 35.324 29.769 -99.200 -91.000 PHE 41 1.000 23.206 29.994 17.620 -99.200 -91.000 TYR 44 0.840 23.444 32.636 12.450 -99.200 -91.000