============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 27 0.840 -34.350 50.875 -5.943 -99.200 -91.000 PHE 29 1.000 -36.346 44.769 -6.010 -99.200 -91.000 TYR 32 0.840 -30.676 51.900 -10.243 -99.200 -91.000 TRP 36 1.040 -27.834 40.898 -0.466 -99.200 -91.000 TRP6 36 1.020 -29.061 41.448 1.423 -99.200 -91.000 TRP 47 1.040 -19.929 42.902 -4.362 -99.200 -91.000 TRP6 47 1.020 -20.442 41.163 -5.854 -99.200 -91.000 TRP 50 1.040 -26.216 41.757 -9.331 -99.200 -91.000 TRP6 50 1.020 -25.431 41.271 -11.423 -99.200 -91.000 TYR 54 0.840 -34.604 44.594 -16.275 -99.200 -91.000 TYR 60 0.840 -24.879 32.965 -4.333 -99.200 -91.000 PHE 64 1.000 -18.880 35.771 1.917 -99.200 -91.000 PHE 68 1.000 -22.639 32.939 4.056 -99.200 -91.000 PHE 70 1.000 -26.653 36.865 -1.937 -99.200 -91.000 TYR 80 0.840 -36.759 38.149 1.014 -99.200 -91.000 TYR 93 0.840 -23.839 39.508 7.160 -99.200 -91.000 PHE 94 1.000 -23.245 48.285 5.853 -99.200 -91.000 TYR 100 0.840 -28.422 46.389 -14.344 -99.200 -91.000 TRP 103 1.040 -20.480 48.603 -14.959 -99.200 -91.000 TRP6 103 1.020 -18.545 47.659 -15.839 -99.200 -91.000 TYR 104 0.840 -22.879 55.247 -9.665 -99.200 -91.000 PHE 105 1.000 -21.663 47.917 -4.911 -99.200 -91.000 TRP 108 1.040 -23.617 51.849 0.098 -99.200 -91.000 TRP6 108 1.020 -22.022 50.182 0.417 -99.200 -91.000 TYR 127 0.840 -15.944 42.304 40.378 -99.200 -91.000 TYR 150 0.840 -21.095 43.724 29.284 -99.200 -91.000 PHE 151 1.000 -24.060 37.119 24.708 -99.200 -91.000 TRP 159 1.040 -18.062 57.289 37.827 -99.200 -91.000 TRP6 159 1.020 -17.429 56.521 35.769 -99.200 -91.000 HIS 169 0.900 -11.557 59.957 28.355 -99.200 -91.000 PHE 171 1.000 -10.891 53.772 28.655 -99.200 -91.000 TYR 180 0.840 -19.790 41.049 24.345 -99.200 -91.000 HIS 204 0.900 -26.717 42.890 30.590 -99.200 -91.000