============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TRP 14 1.040 13.801 40.177 52.652 -99.200 -91.000 TRP6 14 1.020 15.039 42.082 51.993 -99.200 -91.000 PHE 19 1.000 9.620 28.455 67.919 -99.200 -91.000 TRP 37 1.040 -0.729 43.998 57.065 -99.200 -91.000 TRP6 37 1.020 -2.541 42.479 57.067 -99.200 -91.000 HIS 43 0.900 2.971 24.861 51.807 -99.200 -91.000 TYR 47 0.840 -1.800 19.534 52.288 -99.200 -91.000 TRP 49 1.040 0.343 15.847 54.572 -99.200 -91.000 TRP6 49 1.020 2.345 17.005 54.069 -99.200 -91.000 PHE 53 1.000 -0.060 24.738 62.694 -99.200 -91.000 HIS 65 0.900 23.158 34.394 60.686 -99.200 -91.000 TYR 70 0.840 15.179 35.323 73.015 -99.200 -91.000 TYR 84 0.840 -6.831 38.881 57.437 -99.200 -91.000 HIS 86 0.900 -6.524 33.763 46.557 -99.200 -91.000 TYR 89 0.840 -4.110 26.443 50.271 -99.200 -91.000 TRP 91 1.040 -7.882 22.919 51.081 -99.200 -91.000 TRP6 91 1.020 -8.874 20.792 51.452 -99.200 -91.000 PHE 110 1.000 10.045 48.393 59.470 -99.200 -91.000 TYR 113 0.840 21.099 43.021 63.594 -99.200 -91.000 HIS 115 0.900 14.278 48.176 55.797 -99.200 -91.000 TYR 132 0.840 16.267 38.514 33.424 -99.200 -91.000 TRP 139 1.040 16.862 29.896 60.048 -99.200 -91.000 TRP6 139 1.020 15.263 31.632 59.874 -99.200 -91.000 PHE 177 1.000 8.566 32.222 40.403 -99.200 -91.000 TYR 181 0.840 21.981 26.816 39.041 -99.200 -91.000 PHE 200 1.000 12.895 33.106 42.856 -99.200 -91.000 PHE 206 1.000 14.828 47.686 35.153 -99.200 -91.000 TRP 210 1.040 17.819 42.988 47.859 -99.200 -91.000 TRP6 210 1.020 18.616 40.997 46.843 -99.200 -91.000 TYR 211 0.840 10.723 45.678 43.607 -99.200 -91.000 TRP 218 1.040 4.039 22.995 44.062 -99.200 -91.000 TRP6 218 1.020 4.587 21.393 42.408 -99.200 -91.000 TYR 228 0.840 13.870 22.133 36.606 -99.200 -91.000 PHE 230 1.000 6.871 23.443 39.657 -99.200 -91.000 TYR 231 0.840 10.649 28.890 44.259 -99.200 -91.000 HIS 233 0.900 3.715 35.443 38.744 -99.200 -91.000 PHE 235 1.000 1.630 41.958 38.874 -99.200 -91.000 TRP 240 1.040 -6.565 37.370 49.058 -99.200 -91.000 TRP6 240 1.020 -4.663 36.777 50.333 -99.200 -91.000 PHE 248 1.000 -10.182 41.989 56.641 -99.200 -91.000