============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. TYR 8 0.840 62.712 27.927 11.407 -99.200 -91.000 TRP 10 1.040 60.143 21.731 6.520 -99.200 -91.000 TRP6 10 1.020 58.685 20.276 5.364 -99.200 -91.000 TYR 31 0.840 57.458 23.880 8.802 -99.200 -91.000 TRP 42 1.040 55.127 29.542 13.352 -99.200 -91.000 TRP6 42 1.020 57.228 28.533 12.932 -99.200 -91.000 PHE 51 1.000 49.894 15.090 -7.874 -99.200 -91.000 TRP 56 1.040 62.480 22.231 -0.739 -99.200 -91.000 TRP6 56 1.020 64.336 20.869 -0.226 -99.200 -91.000 TRP 66 1.040 55.383 37.742 0.245 -99.200 -91.000 TRP6 66 1.020 55.033 37.259 2.529 -99.200 -91.000 TRP 70 1.040 55.114 40.693 6.180 -99.200 -91.000 TRP6 70 1.020 56.244 40.401 8.226 -99.200 -91.000 PHE 84 1.000 47.863 26.719 2.317 -99.200 -91.000 TYR 103 0.840 43.212 19.626 15.427 -99.200 -91.000 TYR 135 0.840 47.033 -2.709 -5.901 -99.200 -91.000 HIS 154 0.900 26.951 7.301 2.860 -99.200 -91.000 TRP 163 1.040 40.377 3.515 -13.942 -99.200 -91.000 TRP6 163 1.020 38.690 3.860 -12.310 -99.200 -91.000 PHE 171 1.000 35.349 1.584 -9.724 -99.200 -91.000 TYR 174 0.840 34.613 -6.993 -12.087 -99.200 -91.000 TYR 179 0.840 26.273 -3.212 -2.182 -99.200 -91.000 PHE 185 1.000 34.219 13.180 -3.093 -99.200 -91.000 PHE 199 1.000 32.538 6.232 -13.978 -99.200 -91.000 TRP 209 1.040 34.619 18.718 -12.053 -99.200 -91.000 TRP6 209 1.020 34.978 17.097 -13.741 -99.200 -91.000 PHE 218 1.000 36.941 23.988 -12.174 -99.200 -91.000 PHE 220 1.000 34.996 26.448 -8.481 -99.200 -91.000 HIS 250 0.900 30.490 25.405 0.776 -99.200 -91.000 TRP 277 1.040 36.850 30.616 8.580 -99.200 -91.000 TRP6 277 1.020 38.745 31.532 7.538 -99.200 -91.000 HIS 290 0.900 48.109 7.038 6.803 -99.200 -91.000 TRP 299 1.040 46.012 14.829 13.174 -99.200 -91.000 TRP6 299 1.020 45.001 16.304 11.629 -99.200 -91.000