============================================================================= 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. PHE 8 1.000 29.252 38.448 9.484 -99.200 -91.000 HIS 19 0.900 41.611 20.584 25.644 -99.200 -91.000 HIS 20 0.900 41.422 28.001 29.811 -99.200 -91.000 PHE 21 1.000 37.353 28.202 22.186 -99.200 -91.000 PHE 32 1.000 17.489 44.607 4.489 -99.200 -91.000 PHE 50 1.000 36.880 22.965 21.073 -99.200 -91.000 PHE 52 1.000 34.615 26.615 13.856 -99.200 -91.000