============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 10 rings ring int. center anis. iso. PHE 30 1.000 -1.069 45.138 20.822 -99.200 -91.000 PHE 85 1.000 6.424 38.823 17.839 -99.200 -91.000 PHE 121 1.000 -10.293 27.616 9.400 -99.200 -91.000 PHE 123 1.000 -13.762 26.613 6.355 -99.200 -91.000 PHE 168 1.000 -12.486 32.211 8.971 -99.200 -91.000 PHE 196 1.000 15.636 41.621 21.242 -99.200 -91.000 PHE 258 1.000 8.821 18.149 40.776 -99.200 -91.000 HIS 272 0.900 17.663 15.918 15.774 -99.200 -91.000 PHE 279 1.000 13.265 23.438 28.083 -99.200 -91.000 PHE 300 1.000 10.401 22.280 11.692 -99.200 -91.000