============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 3 0.900 20.173 -5.665 23.751 -99.200 -91.000 TYR 7 0.840 8.785 -16.607 24.649 -99.200 -91.000 PHE 8 1.000 12.286 -18.005 16.950 -99.200 -91.000 PHE 9 1.000 5.271 -20.251 20.838 -99.200 -91.000 PHE 22 1.000 3.727 -26.210 21.463 -99.200 -91.000 TYR 27 0.840 16.903 -18.876 20.194 -99.200 -91.000 PHE 33 1.000 14.071 -16.497 27.396 -99.200 -91.000 PHE 36 1.000 5.821 -28.225 26.880 -99.200 -91.000 TRP 51 1.040 20.954 -15.365 30.741 -99.200 -91.000 TRP6 51 1.020 18.798 -14.873 29.923 -99.200 -91.000 TYR 59 0.840 9.871 -17.140 34.059 -99.200 -91.000 TRP 60 1.040 11.390 -21.588 36.586 -99.200 -91.000 TRP6 60 1.020 12.145 -21.526 34.351 -99.200 -91.000 HIS 70 0.900 1.477 -19.706 23.863 -99.200 -91.000 HIS 74 0.900 1.003 -23.741 17.572 -99.200 -91.000 TYR 84 0.840 -9.813 -22.483 8.299 -99.200 -91.000 TYR 85 0.840 -4.824 -24.245 3.467 -99.200 -91.000 HIS 93 0.900 -0.885 -31.495 6.083 -99.200 -91.000 TYR 99 0.840 4.257 -15.002 21.141 -99.200 -91.000 TRP 107 1.040 18.253 -0.721 27.829 -99.200 -91.000 TRP6 107 1.020 18.481 -2.596 29.269 -99.200 -91.000 PHE 109 1.000 6.776 -1.833 20.360 -99.200 -91.000 TYR 113 0.840 9.475 -8.242 14.488 -99.200 -91.000 HIS 114 0.900 1.072 -13.670 17.519 -99.200 -91.000 TYR 116 0.840 -0.577 -20.284 12.699 -99.200 -91.000 TYR 118 0.840 -1.376 -26.109 7.199 -99.200 -91.000 TYR 123 0.840 -3.378 -19.638 7.835 -99.200 -91.000 TRP 133 1.040 -5.060 -9.504 11.907 -99.200 -91.000 TRP6 133 1.020 -3.535 -10.696 13.257 -99.200 -91.000 HIS 145 0.900 -13.085 -13.054 6.409 -99.200 -91.000 TRP 147 1.040 -7.291 -15.151 14.729 -99.200 -91.000 TRP6 147 1.020 -4.966 -15.381 14.370 -99.200 -91.000 HIS 151 0.900 -12.966 -6.248 18.645 -99.200 -91.000 TYR 159 0.840 3.548 -10.891 24.916 -99.200 -91.000 TRP 167 1.040 7.732 -10.570 31.931 -99.200 -91.000 TRP6 167 1.020 8.467 -11.776 33.812 -99.200 -91.000 TYR 171 0.840 13.188 -12.855 30.439 -99.200 -91.000 HIS 188 0.900 41.636 -18.090 9.882 -99.200 -91.000 HIS 191 0.900 46.740 -20.198 -1.903 -99.200 -91.000 HIS 192 0.900 44.616 -25.329 2.274 -99.200 -91.000 HIS 197 0.900 44.317 -25.677 -13.850 -99.200 -91.000 TRP 204 1.040 38.132 -20.058 7.648 -99.200 -91.000 TRP6 204 1.020 36.555 -21.494 8.649 -99.200 -91.000 PHE 208 1.000 30.621 -14.289 13.797 -99.200 -91.000 TYR 209 0.840 25.791 -12.837 21.473 -99.200 -91.000 TRP 217 1.040 36.148 -14.009 -0.604 -99.200 -91.000 TRP6 217 1.020 38.463 -13.741 -0.338 -99.200 -91.000 PHE 241 1.000 25.739 -17.325 16.986 -99.200 -91.000 TRP 244 1.040 33.356 -21.859 5.624 -99.200 -91.000 TRP6 244 1.020 32.971 -22.268 3.328 -99.200 -91.000 TYR 257 0.840 39.937 -12.951 -6.518 -99.200 -91.000 HIS 260 0.900 36.828 -5.399 1.308 -99.200 -91.000 HIS 263 0.900 30.252 -8.890 15.178 -99.200 -91.000 TRP 274 1.040 44.751 -13.731 -0.378 -99.200 -91.000 TRP6 274 1.020 45.262 -15.475 1.158 -99.200 -91.000