============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 26 rings ring int. center anis. iso. PHE 1 1.000 33.979 43.228 17.430 -99.200 -91.000 PHE 5 1.000 36.215 35.846 15.462 -99.200 -91.000 PHE 8 1.000 39.806 33.588 12.400 -99.200 -91.000 HIS 11 0.900 43.835 32.200 8.535 -99.200 -91.000 TYR 22 0.840 32.127 8.861 25.574 -99.200 -91.000 TYR 27 0.840 30.784 9.412 19.667 -99.200 -91.000 PHE 29 1.000 36.214 16.382 16.121 -99.200 -91.000 PHE 44 1.000 47.165 16.467 17.150 -99.200 -91.000 PHE 46 1.000 41.274 18.626 18.495 -99.200 -91.000 TRP 54 1.040 32.581 18.786 25.262 -99.200 -91.000 TRP6 54 1.020 34.828 19.463 25.254 -99.200 -91.000 HIS 62 0.900 45.588 6.539 24.509 -99.200 -91.000 HIS 66 0.900 42.552 9.601 10.756 -99.200 -91.000 PHE 78 1.000 34.645 10.666 9.432 -99.200 -91.000 PHE 85 1.000 33.767 6.804 12.830 -99.200 -91.000 HIS 89 0.900 34.019 5.322 6.292 -99.200 -91.000 TRP 90 1.040 35.069 2.768 10.297 -99.200 -91.000 TRP6 90 1.020 35.157 1.829 12.459 -99.200 -91.000 TYR 95 0.840 48.075 3.703 22.347 -99.200 -91.000 TRP 106 1.040 47.253 6.410 10.485 -99.200 -91.000 TRP6 106 1.020 48.268 5.532 12.405 -99.200 -91.000 PHE 116 1.000 38.759 29.907 26.728 -99.200 -91.000 TYR 140 0.840 35.506 24.370 4.118 -99.200 -91.000 HIS 141 0.900 39.034 31.022 0.646 -99.200 -91.000 TYR 145 0.840 35.765 20.018 1.723 -99.200 -91.000 TYR 153 0.840 60.654 31.622 -5.615 -99.200 -91.000