============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. PHE 4 1.000 39.862 13.902 13.772 -99.200 -91.000 TYR 10 0.840 43.976 12.504 26.717 -99.200 -91.000 TYR 21 0.840 54.737 12.432 13.197 -99.200 -91.000 PHE 22 1.000 50.504 18.525 18.419 -99.200 -91.000 TYR 23 0.840 46.670 21.015 11.285 -99.200 -91.000 PHE 33 1.000 50.623 13.344 20.813 -99.200 -91.000 TYR 35 0.840 48.653 7.251 22.874 -99.200 -91.000 PHE 45 1.000 46.142 12.236 12.548 -99.200 -91.000