============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 11 rings ring int. center anis. iso. HIS 5 0.900 9.687 18.208 19.699 -99.200 -91.000 PHE 11 1.000 0.009 25.479 12.742 -99.200 -91.000 PHE 26 1.000 4.513 30.082 13.926 -99.200 -91.000 TRP 27 1.040 11.982 26.492 16.735 -99.200 -91.000 TRP6 27 1.020 14.132 25.513 16.811 -99.200 -91.000 TRP 30 1.040 18.714 30.782 10.928 -99.200 -91.000 TRP6 30 1.020 17.621 32.850 11.332 -99.200 -91.000 TYR 48 0.840 1.688 28.529 32.484 -99.200 -91.000 TYR 69 0.840 -1.463 30.849 11.540 -99.200 -91.000 PHE 80 1.000 -2.199 29.157 16.550 -99.200 -91.000 PHE 101 1.000 1.762 36.184 25.387 -99.200 -91.000