============================================================================= 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 20 1.000 28.794 17.151 39.611 -99.200 -91.000 PHE 25 1.000 18.736 23.443 37.521 -99.200 -91.000 TYR 32 0.840 10.114 17.666 35.008 -99.200 -91.000 PHE 47 1.000 28.158 6.467 42.453 -99.200 -91.000 PHE 54 1.000 25.903 15.233 43.651 -99.200 -91.000 TYR 56 0.840 14.919 12.698 36.988 -99.200 -91.000 TYR 68 0.840 20.014 -2.167 33.159 -99.200 -91.000 TYR 71 0.840 14.707 -4.585 28.133 -99.200 -91.000