============================================================================= 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. PHE 27 1.000 -48.042 23.893 25.575 -99.200 -91.000 PHE 29 1.000 -43.925 19.344 26.284 -99.200 -91.000 TRP 36 1.040 -35.752 22.830 19.525 -99.200 -91.000 TRP6 36 1.020 -34.942 24.312 21.146 -99.200 -91.000 TRP 47 1.040 -39.211 22.830 10.971 -99.200 -91.000 TRP6 47 1.020 -38.613 20.853 9.832 -99.200 -91.000 TYR 56 0.840 -44.580 9.090 14.024 -99.200 -91.000 PHE 58 1.000 -42.234 14.084 10.948 -99.200 -91.000 TYR 59 0.840 -34.046 15.837 13.070 -99.200 -91.000 PHE 67 1.000 -28.263 20.962 14.751 -99.200 -91.000 TYR 92 0.840 -30.141 27.210 16.911 -99.200 -91.000 TYR 93 0.840 -36.759 32.906 17.909 -99.200 -91.000 TYR 97 0.840 -44.876 21.921 13.873 -99.200 -91.000 PHE 102 1.000 -49.738 18.405 9.154 -99.200 -91.000 TYR 103 0.840 -51.460 26.417 11.640 -99.200 -91.000 PHE 104 1.000 -43.120 26.423 12.898 -99.200 -91.000 TYR 106 0.840 -49.859 30.775 21.577 -99.200 -91.000 TRP 107 1.040 -43.140 31.821 16.422 -99.200 -91.000 TRP6 107 1.020 -41.375 31.578 14.904 -99.200 -91.000 TYR 126 0.840 -11.792 52.563 25.328 -99.200 -91.000 TYR 149 0.840 -19.357 43.713 22.958 -99.200 -91.000 PHE 150 1.000 -16.884 36.140 19.842 -99.200 -91.000 TRP 158 1.040 -26.894 55.630 28.972 -99.200 -91.000 TRP6 158 1.020 -24.908 56.835 28.711 -99.200 -91.000 HIS 168 0.900 -31.548 57.612 19.873 -99.200 -91.000 PHE 170 1.000 -26.631 54.620 17.778 -99.200 -91.000 TYR 179 0.840 -20.439 40.411 18.405 -99.200 -91.000 HIS 203 0.900 -18.760 40.021 27.393 -99.200 -91.000