============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. HIS 3 0.900 60.953 47.625 5.904 -99.200 -91.000 TYR 7 0.840 46.750 52.965 1.968 -99.200 -91.000 PHE 8 1.000 46.426 44.567 -1.523 -99.200 -91.000 TYR 22 0.840 35.781 52.747 -1.350 -99.200 -91.000 TYR 27 0.840 47.338 43.876 3.805 -99.200 -91.000 PHE 33 1.000 48.833 50.834 7.517 -99.200 -91.000 PHE 36 1.000 35.252 53.746 4.769 -99.200 -91.000 TYR 45 0.840 41.237 54.402 6.165 -99.200 -91.000 TRP 51 1.040 52.207 48.770 14.109 -99.200 -91.000 TRP6 51 1.020 51.910 50.111 12.184 -99.200 -91.000 TYR 59 0.840 46.297 58.020 10.303 -99.200 -91.000 TRP 60 1.040 42.663 56.992 14.196 -99.200 -91.000 TRP6 60 1.020 43.295 55.145 12.844 -99.200 -91.000 PHE 74 1.000 37.401 53.665 -6.401 -99.200 -91.000 TYR 84 0.840 34.362 55.046 -19.730 -99.200 -91.000 TYR 85 0.840 34.544 47.845 -20.067 -99.200 -91.000 HIS 93 0.900 29.217 44.728 -14.325 -99.200 -91.000 TYR 113 0.840 53.412 49.135 -6.019 -99.200 -91.000 TYR 116 0.840 42.248 52.638 -10.798 -99.200 -91.000 TYR 118 0.840 33.939 47.009 -15.075 -99.200 -91.000 TYR 122 0.840 39.403 50.809 -16.937 -99.200 -91.000 TRP 132 1.040 48.037 57.467 -16.326 -99.200 -91.000 TRP6 132 1.020 47.912 56.722 -14.085 -99.200 -91.000 HIS 144 0.900 42.920 59.035 -25.255 -99.200 -91.000 TRP 146 1.040 42.708 59.153 -14.796 -99.200 -91.000 TRP6 146 1.020 43.382 57.060 -13.913 -99.200 -91.000 TYR 154 0.840 47.347 67.194 -9.564 -99.200 -91.000 TYR 155 0.840 49.734 56.853 -7.466 -99.200 -91.000 TYR 158 0.840 49.784 58.599 -2.208 -99.200 -91.000 TRP 166 1.040 51.629 60.514 6.305 -99.200 -91.000 TRP6 166 1.020 50.846 60.492 8.535 -99.200 -91.000 TYR 170 0.840 51.564 54.789 8.186 -99.200 -91.000 HIS 187 0.900 57.000 21.081 14.428 -99.200 -91.000 HIS 190 0.900 55.002 8.174 7.046 -99.200 -91.000 HIS 191 0.900 49.449 12.604 6.862 -99.200 -91.000 TRP 203 1.040 52.672 20.679 8.343 -99.200 -91.000 TRP6 203 1.020 50.749 21.981 7.896 -99.200 -91.000 PHE 207 1.000 56.656 31.411 7.649 -99.200 -91.000 TYR 208 0.840 56.060 40.216 9.837 -99.200 -91.000 TRP 216 1.040 59.638 18.024 0.940 -99.200 -91.000 TRP6 216 1.020 60.293 16.647 2.748 -99.200 -91.000 PHE 240 1.000 52.284 36.473 6.870 -99.200 -91.000 TRP 243 1.040 50.517 22.423 3.613 -99.200 -91.000 TRP6 243 1.020 50.442 21.009 1.715 -99.200 -91.000 TYR 255 0.840 68.083 6.342 1.657 -99.200 -91.000 TYR 256 0.840 62.828 11.075 -0.926 -99.200 -91.000 HIS 259 0.900 67.825 20.961 2.695 -99.200 -91.000 TYR 261 0.840 67.235 27.182 1.832 -99.200 -91.000 HIS 262 0.900 61.620 33.807 7.992 -99.200 -91.000 TRP 273 1.040 58.818 9.509 9.095 -99.200 -91.000 TRP6 273 1.020 57.284 10.570 10.548 -99.200 -91.000