============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 19 rings ring int. center anis. iso. PHE 2 1.000 27.417 26.685 7.815 -99.200 -91.000 PHE 6 1.000 18.808 28.542 19.369 -99.200 -91.000 PHE 21 1.000 27.089 25.403 20.069 -99.200 -91.000 TYR 23 0.840 29.433 32.681 26.172 -99.200 -91.000 PHE 26 1.000 20.669 26.122 33.706 -99.200 -91.000 TYR 30 0.840 12.525 34.405 33.214 -99.200 -91.000 PHE 38 1.000 25.698 37.756 15.666 -99.200 -91.000 TYR 44 0.840 35.521 18.163 13.690 -99.200 -91.000 TRP 55 1.040 20.604 36.016 14.265 -99.200 -91.000 TRP6 55 1.020 21.323 38.231 14.646 -99.200 -91.000 PHE 63 1.000 10.160 42.319 24.770 -99.200 -91.000 TYR 70 0.840 16.179 39.964 14.688 -99.200 -91.000 TYR 81 0.840 8.435 20.580 22.926 -99.200 -91.000 PHE 89 1.000 4.048 19.279 21.574 -99.200 -91.000 TRP 95 1.040 6.816 30.213 18.520 -99.200 -91.000 TRP6 95 1.020 7.280 32.514 18.211 -99.200 -91.000 PHE 140 1.000 11.398 15.761 19.493 -99.200 -91.000 TYR 149 0.840 19.873 13.971 26.905 -99.200 -91.000 PHE 155 1.000 23.491 25.075 19.265 -99.200 -91.000