============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 4 1.000 22.013 -28.585 17.092 -99.200 -91.000 TYR 24 0.840 17.427 -36.736 16.360 -99.200 -91.000 TYR 27 0.840 10.568 -28.289 17.002 -99.200 -91.000 TYR 30 0.840 13.629 -16.653 10.101 -99.200 -91.000 TYR 32 0.840 8.720 -19.038 6.339 -99.200 -91.000 PHE 53 1.000 30.000 -45.072 4.039 -99.200 -91.000 TYR 55 0.840 18.216 -39.792 1.838 -99.200 -91.000 TYR 80 0.840 22.410 -27.936 2.533 -99.200 -91.000 PHE 96 1.000 0.038 -25.454 7.548 -99.200 -91.000 TYR 109 0.840 20.259 -37.696 11.218 -99.200 -91.000 TYR 113 0.840 26.444 -50.359 -2.000 -99.200 -91.000 TYR 114 0.840 27.395 -42.445 -0.325 -99.200 -91.000