============================================================================= 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 6 1.000 16.762 43.795 22.820 -99.200 -91.000 PHE 14 1.000 13.840 48.508 30.533 -99.200 -91.000 PHE 19 1.000 9.909 33.521 31.657 -99.200 -91.000 PHE 40 1.000 16.036 40.171 36.796 -99.200 -91.000 PHE 89 1.000 5.323 41.277 23.380 -99.200 -91.000 TYR 102 0.840 21.506 29.410 20.792 -99.200 -91.000 TRP 111 1.040 9.125 49.942 24.689 -99.200 -91.000 TRP6 111 1.020 10.704 48.388 23.856 -99.200 -91.000