============================================================================= 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 14 1.000 -31.406 -34.452 10.764 -99.200 -91.000 PHE 35 1.000 -50.191 -33.830 26.467 -99.200 -91.000 TYR 48 0.840 -31.267 -27.480 33.409 -99.200 -91.000 TYR 50 0.840 -30.133 -25.939 24.053 -99.200 -91.000 HIS 60 0.900 -32.795 -28.952 0.807 -99.200 -91.000 PHE 70 1.000 -44.728 -24.333 0.900 -99.200 -91.000