============================================================================= 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. TYR 11 0.840 19.997 4.921 -14.058 -99.200 -91.000 TRP 12 1.040 11.089 2.397 -9.042 -99.200 -91.000 TRP6 12 1.020 10.961 0.045 -8.924 -99.200 -91.000 TYR 16 0.840 6.454 0.219 -15.456 -99.200 -91.000 PHE 19 1.000 14.738 -5.146 -19.804 -99.200 -91.000 PHE 22 1.000 10.950 -3.437 -13.314 -99.200 -91.000 TRP 33 1.040 18.191 -1.377 -11.546 -99.200 -91.000 TRP6 33 1.020 16.006 -0.876 -12.277 -99.200 -91.000 PHE 34 1.000 24.008 2.825 -11.815 -99.200 -91.000 HIS 44 0.900 16.508 2.971 -34.952 -99.200 -91.000 PHE 60 1.000 32.282 -6.190 -24.503 -99.200 -91.000 PHE 70 1.000 20.798 -7.082 -31.720 -99.200 -91.000 TYR 97 0.840 10.785 -8.311 -22.886 -99.200 -91.000 PHE 105 1.000 20.940 -16.458 -22.526 -99.200 -91.000 PHE 110 1.000 33.868 -9.810 -28.569 -99.200 -91.000 PHE 116 1.000 40.494 -19.049 -31.501 -99.200 -91.000 PHE 123 1.000 24.525 -3.941 -29.513 -99.200 -91.000 TRP 128 1.040 29.682 2.934 -22.958 -99.200 -91.000 TRP6 128 1.020 27.579 3.974 -23.166 -99.200 -91.000 TYR 133 0.840 28.305 8.112 -19.992 -99.200 -91.000 PHE 139 1.000 33.827 6.970 -22.936 -99.200 -91.000 PHE 150 1.000 40.730 3.614 -31.505 -99.200 -91.000 PHE 153 1.000 35.745 -1.535 -35.679 -99.200 -91.000 TYR 165 0.840 32.492 0.130 -30.513 -99.200 -91.000 PHE 166 1.000 23.646 1.812 -26.727 -99.200 -91.000 PHE 192 1.000 17.968 12.736 -30.406 -99.200 -91.000 TYR 203 0.840 23.424 1.245 -36.877 -99.200 -91.000 PHE 204 1.000 32.168 1.157 -37.360 -99.200 -91.000