============================================================================= 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 3 1.000 21.157 34.635 75.460 -99.200 -91.000 TYR 13 0.840 32.695 32.940 61.640 -99.200 -91.000 PHE 37 1.000 34.148 28.080 62.149 -99.200 -91.000 TYR 42 0.840 32.504 35.314 74.300 -99.200 -91.000 PHE 49 1.000 22.045 35.533 69.979 -99.200 -91.000 TYR 53 0.840 17.376 36.626 71.261 -99.200 -91.000 PHE 69 1.000 19.041 48.170 62.775 -99.200 -91.000