============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 8 1.000 28.581 8.953 11.514 -99.200 -91.000 TYR 29 0.840 27.374 30.222 15.722 -99.200 -91.000 PHE 45 1.000 24.381 16.001 15.839 -99.200 -91.000 PHE 55 1.000 11.799 25.535 18.673 -99.200 -91.000 TRP 67 1.040 21.334 35.675 29.248 -99.200 -91.000 TRP6 67 1.020 21.888 35.306 26.978 -99.200 -91.000 TRP 79 1.040 13.825 20.320 21.521 -99.200 -91.000 TRP6 79 1.020 14.806 21.951 22.919 -99.200 -91.000 TYR 80 0.840 11.273 20.606 29.030 -99.200 -91.000 PHE 94 1.000 19.890 27.632 23.313 -99.200 -91.000 TRP 99 1.040 30.706 23.854 28.917 -99.200 -91.000 TRP6 99 1.020 29.525 23.017 27.034 -99.200 -91.000 TYR 102 0.840 25.211 19.015 28.307 -99.200 -91.000 PHE 107 1.000 32.754 14.339 18.729 -99.200 -91.000