============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 6 rings ring int. center anis. iso. PHE 2 1.000 31.761 16.308 -12.606 -99.200 -91.000 TYR 38 0.840 4.185 11.710 18.031 -99.200 -91.000 PHE 39 1.000 9.548 12.236 20.456 -99.200 -91.000 TYR 51 0.840 10.196 1.811 10.873 -99.200 -91.000 TYR 69 0.840 10.954 11.097 -13.020 -99.200 -91.000 TYR 95 0.840 0.873 3.945 2.211 -99.200 -91.000