============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. PHE 1 1.000 15.803 31.156 22.042 -99.200 -91.000 PHE 3 1.000 14.805 22.945 20.857 -99.200 -91.000 TYR 20 0.840 20.110 -3.071 0.289 -99.200 -91.000 TYR 40 0.840 17.903 -3.243 11.875 -99.200 -91.000 PHE 53 1.000 8.956 1.189 11.083 -99.200 -91.000 HIS 55 0.900 10.147 -3.536 17.013 -99.200 -91.000 TYR 60 0.840 15.545 -11.368 16.422 -99.200 -91.000 TYR 80 0.840 9.919 8.599 2.076 -99.200 -91.000 TYR 108 0.840 20.870 17.358 -5.853 -99.200 -91.000