============================================================================= 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. TYR 9 0.840 18.839 17.677 48.870 -99.200 -91.000 PHE 39 1.000 25.979 10.146 33.214 -99.200 -91.000 PHE 40 1.000 21.767 6.183 38.886 -99.200 -91.000 PHE 50 1.000 10.257 14.368 42.164 -99.200 -91.000 HIS 53 0.900 -0.004 6.188 42.629 -99.200 -91.000 HIS 56 0.900 1.829 19.227 42.602 -99.200 -91.000 TYR 60 0.840 13.043 10.592 51.784 -99.200 -91.000