============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 20 rings ring int. center anis. iso. PHE 28 1.000 35.146 30.928 69.453 -99.200 -91.000 TYR 31 0.840 26.359 30.085 70.504 -99.200 -91.000 TRP 35 1.040 39.295 29.133 77.599 -99.200 -91.000 TRP6 35 1.020 40.300 27.276 76.530 -99.200 -91.000 PHE 36 1.000 32.993 26.178 82.724 -99.200 -91.000 PHE 46 1.000 34.477 31.128 85.279 -99.200 -91.000 TYR 49 0.840 31.363 34.851 79.961 -99.200 -91.000 PHE 50 1.000 36.895 37.382 74.458 -99.200 -91.000 TYR 58 0.840 33.680 39.678 83.353 -99.200 -91.000 TYR 59 0.840 41.026 36.330 83.197 -99.200 -91.000 PHE 67 1.000 45.980 29.527 84.098 -99.200 -91.000 TYR 79 0.840 44.785 32.691 70.217 -99.200 -91.000 TYR 93 0.840 43.511 23.907 82.014 -99.200 -91.000 TYR 94 0.840 36.737 19.109 79.449 -99.200 -91.000 TYR 101 0.840 22.323 40.637 77.910 -99.200 -91.000 TYR 105 0.840 30.880 35.630 84.848 -99.200 -91.000 TYR 110 0.840 29.581 28.477 79.853 -99.200 -91.000 TYR 112 0.840 25.830 23.845 70.762 -99.200 -91.000 TRP 113 1.040 29.797 21.878 77.697 -99.200 -91.000 TRP6 113 1.020 31.024 22.743 79.522 -99.200 -91.000