============================================================================= 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 32.360 40.372 68.554 -99.200 -91.000 PHE 8 1.000 32.866 42.541 56.625 -99.200 -91.000 PHE 13 1.000 33.960 58.642 49.371 -99.200 -91.000 PHE 21 1.000 37.500 57.957 53.412 -99.200 -91.000 TRP 32 1.040 44.204 55.971 60.126 -99.200 -91.000 TRP6 32 1.020 43.720 53.749 59.523 -99.200 -91.000 PHE 43 1.000 41.612 50.241 56.767 -99.200 -91.000 TRP 48 1.040 36.294 44.422 40.750 -99.200 -91.000 TRP6 48 1.020 35.235 42.936 39.273 -99.200 -91.000 PHE 54 1.000 32.838 57.999 40.617 -99.200 -91.000 TYR 59 0.840 37.530 49.912 59.987 -99.200 -91.000 TYR 61 0.840 37.542 46.106 65.334 -99.200 -91.000 PHE 67 1.000 32.949 45.483 66.490 -99.200 -91.000 TYR 73 0.840 41.745 56.112 67.477 -99.200 -91.000 PHE 78 1.000 39.584 59.275 62.095 -99.200 -91.000 PHE 84 1.000 36.193 61.584 58.854 -99.200 -91.000 PHE 93 1.000 32.053 57.495 55.168 -99.200 -91.000