============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. HIS 4 0.900 8.305 21.526 32.451 -99.200 -91.000 PHE 11 1.000 30.252 35.801 25.699 -99.200 -91.000 PHE 13 1.000 31.096 25.282 23.010 -99.200 -91.000 PHE 23 1.000 25.796 27.437 22.987 -99.200 -91.000 PHE 30 1.000 13.868 24.739 24.711 -99.200 -91.000 TRP 39 1.040 32.778 21.372 30.369 -99.200 -91.000 TRP6 39 1.020 32.778 21.829 28.053 -99.200 -91.000 PHE 51 1.000 25.059 24.177 27.443 -99.200 -91.000 PHE 55 1.000 31.777 30.001 25.588 -99.200 -91.000