============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 26 0.840 35.335 24.866 -14.738 -99.200 -91.000 PHE 28 1.000 31.858 30.571 -12.101 -99.200 -91.000 PHE 31 1.000 31.272 21.840 -17.784 -99.200 -91.000 TRP 35 1.040 27.318 25.630 -2.681 -99.200 -91.000 TRP6 35 1.020 29.447 26.025 -1.738 -99.200 -91.000 TRP 46 1.040 22.636 17.993 -4.669 -99.200 -91.000 TRP6 46 1.020 20.507 18.937 -5.156 -99.200 -91.000 TRP 49 1.040 20.972 22.576 -9.469 -99.200 -91.000 TRP6 49 1.020 21.575 23.321 -11.641 -99.200 -91.000 TYR 53 0.840 24.812 31.411 -20.390 -99.200 -91.000 TYR 59 0.840 18.345 27.793 -2.305 -99.200 -91.000 PHE 63 1.000 20.581 21.177 3.678 -99.200 -91.000 PHE 67 1.000 20.910 25.991 5.166 -99.200 -91.000 PHE 69 1.000 22.823 26.804 -2.831 -99.200 -91.000 TYR 79 0.840 31.250 34.558 -3.144 -99.200 -91.000 TYR 92 0.840 28.210 23.449 5.677 -99.200 -91.000 PHE 93 1.000 33.570 17.912 1.513 -99.200 -91.000 PHE 98 1.000 31.928 16.565 -18.277 -99.200 -91.000 TYR 99 0.840 23.409 16.849 -19.145 -99.200 -91.000 TYR 100 0.840 28.726 17.338 -22.988 -99.200 -91.000 TYR 101 0.840 21.179 20.839 -26.941 -99.200 -91.000 TYR 105 0.840 28.217 8.471 -20.622 -99.200 -91.000 PHE 106 1.000 24.062 15.800 -13.314 -99.200 -91.000 TYR 107 0.840 30.995 12.346 -15.125 -99.200 -91.000 PHE 108 1.000 27.187 16.446 -8.059 -99.200 -91.000 TYR 110 0.840 38.184 18.349 -12.337 -99.200 -91.000 TRP 111 1.040 33.515 15.816 -5.580 -99.200 -91.000 TRP6 111 1.020 31.762 15.652 -3.994 -99.200 -91.000 TYR 130 0.840 42.344 19.568 34.932 -99.200 -91.000 TYR 147 0.840 40.880 21.941 23.124 -99.200 -91.000 PHE 148 1.000 35.410 27.660 19.919 -99.200 -91.000 TRP 156 1.040 51.897 10.803 25.349 -99.200 -91.000 TRP6 156 1.020 51.359 11.179 27.626 -99.200 -91.000 HIS 166 0.900 45.802 3.326 21.463 -99.200 -91.000 PHE 168 1.000 41.498 7.469 22.983 -99.200 -91.000 TYR 177 0.840 36.352 21.734 19.930 -99.200 -91.000 TRP 190 1.040 55.557 6.992 35.277 -99.200 -91.000 TRP6 190 1.020 53.840 6.191 36.713 -99.200 -91.000 HIS 201 0.900 43.904 26.530 22.169 -99.200 -91.000