============================================================================= 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 14.947 4.615 3.127 -99.200 -91.000 PHE 14 1.000 6.784 1.280 -0.513 -99.200 -91.000 PHE 19 1.000 4.003 8.526 12.848 -99.200 -91.000 PHE 40 1.000 1.393 9.948 3.021 -99.200 -91.000 PHE 89 1.000 10.446 -1.790 11.823 -99.200 -91.000 TYR 102 0.840 18.175 16.777 11.394 -99.200 -91.000 TRP 111 1.040 10.586 -4.491 2.751 -99.200 -91.000 TRP6 111 1.020 11.868 -2.522 3.050 -99.200 -91.000