============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 17 rings ring int. center anis. iso. PHE 5 1.000 25.856 45.275 3.943 -99.200 -91.000 PHE 8 1.000 21.886 42.513 15.226 -99.200 -91.000 PHE 13 1.000 20.568 25.690 20.437 -99.200 -91.000 PHE 21 1.000 25.223 26.791 18.048 -99.200 -91.000 TRP 32 1.040 33.980 29.197 14.449 -99.200 -91.000 TRP6 32 1.020 33.193 31.333 15.086 -99.200 -91.000 PHE 43 1.000 30.268 34.625 17.163 -99.200 -91.000 TRP 48 1.040 19.499 38.581 30.868 -99.200 -91.000 TRP6 48 1.020 18.013 40.032 31.998 -99.200 -91.000 PHE 54 1.000 16.362 25.313 27.982 -99.200 -91.000 TYR 59 0.840 27.675 35.462 12.780 -99.200 -91.000 TYR 61 0.840 29.486 39.812 8.307 -99.200 -91.000 PHE 67 1.000 25.664 40.022 3.973 -99.200 -91.000 TYR 73 0.840 34.574 30.016 6.740 -99.200 -91.000 PHE 78 1.000 30.554 26.308 10.408 -99.200 -91.000 PHE 84 1.000 26.432 23.727 12.002 -99.200 -91.000 PHE 93 1.000 20.824 27.484 14.293 -99.200 -91.000