============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. TRP 11 1.040 49.282 25.717 10.446 -99.200 -91.000 TRP6 11 1.020 50.154 25.137 8.306 -99.200 -91.000 PHE 27 1.000 45.032 21.118 7.000 -99.200 -91.000 HIS 34 0.900 30.699 22.702 5.749 -99.200 -91.000 PHE 44 1.000 55.636 37.597 7.245 -99.200 -91.000 HIS 46 0.900 57.360 27.038 7.703 -99.200 -91.000 HIS 56 0.900 39.853 20.966 -0.050 -99.200 -91.000 PHE 59 1.000 42.010 23.622 3.605 -99.200 -91.000 PHE 73 1.000 59.572 50.725 6.548 -99.200 -91.000 PHE 85 1.000 55.983 34.017 -2.312 -99.200 -91.000 TRP 89 1.040 41.664 35.072 2.024 -99.200 -91.000 TRP6 89 1.020 39.823 35.103 3.533 -99.200 -91.000 HIS 94 0.900 47.069 36.110 17.782 -99.200 -91.000 TYR 100 0.840 53.721 38.008 23.337 -99.200 -91.000 TYR 101 0.840 56.135 40.065 18.707 -99.200 -91.000 PHE 120 1.000 47.192 41.546 1.177 -99.200 -91.000 TRP 158 1.040 33.228 47.989 7.905 -99.200 -91.000 TRP6 158 1.020 33.715 46.912 9.975 -99.200 -91.000 TYR 165 0.840 35.614 37.796 22.085 -99.200 -91.000 TRP 169 1.040 44.084 32.340 27.483 -99.200 -91.000 TRP6 169 1.020 42.858 31.228 25.761 -99.200 -91.000 HIS 179 0.900 31.717 35.408 18.094 -99.200 -91.000 TRP 185 1.040 30.431 49.756 18.150 -99.200 -91.000 TRP6 185 1.020 31.704 49.940 16.156 -99.200 -91.000 TYR 202 0.840 35.554 31.285 21.015 -99.200 -91.000 TYR 215 0.840 29.061 27.466 12.288 -99.200 -91.000 PHE 223 1.000 34.693 27.393 15.407 -99.200 -91.000 PHE 234 1.000 41.863 24.019 10.459 -99.200 -91.000