============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. PHE 7 1.000 24.904 32.790 11.304 -99.200 -91.000 HIS 16 0.900 20.080 35.539 7.327 -99.200 -91.000 TYR 34 0.840 11.255 31.455 13.153 -99.200 -91.000 PHE 44 1.000 13.027 29.080 7.269 -99.200 -91.000 PHE 82 1.000 25.191 32.295 16.521 -99.200 -91.000 HIS 86 0.900 22.682 36.390 17.312 -99.200 -91.000