============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. HIS 15 0.900 38.099 3.919 29.916 -99.200 -91.000 HIS 36 0.900 22.558 14.875 30.289 -99.200 -91.000 PHE 57 1.000 18.607 -2.966 27.972 -99.200 -91.000 PHE 66 1.000 7.997 -3.219 31.771 -99.200 -91.000 TYR 89 0.840 -7.428 -13.515 44.358 -99.200 -91.000 HIS 107 0.900 10.883 -10.307 45.692 -99.200 -91.000 TYR 112 0.840 15.170 -23.132 47.905 -99.200 -91.000 TYR 114 0.840 12.403 -20.810 40.088 -99.200 -91.000 PHE 119 1.000 19.771 -19.866 36.326 -99.200 -91.000 PHE 126 1.000 22.770 -19.133 28.966 -99.200 -91.000 PHE 134 1.000 12.062 -24.805 33.367 -99.200 -91.000 TYR 136 0.840 3.734 -18.089 34.365 -99.200 -91.000 HIS 146 0.900 14.938 -26.603 48.004 -99.200 -91.000 TYR 156 0.840 14.143 -7.965 50.161 -99.200 -91.000 TYR 158 0.840 14.502 -10.338 43.808 -99.200 -91.000 PHE 163 1.000 7.015 -9.604 41.420 -99.200 -91.000 HIS 176 0.900 -7.335 -11.264 28.275 -99.200 -91.000 TYR 182 0.840 4.204 -8.420 31.144 -99.200 -91.000 PHE 187 1.000 5.348 -4.628 26.723 -99.200 -91.000 PHE 196 1.000 9.811 -5.857 20.426 -99.200 -91.000 TYR 197 0.840 6.719 -12.274 28.699 -99.200 -91.000 HIS 199 0.900 7.905 -18.183 28.029 -99.200 -91.000 HIS 208 0.900 20.014 -8.903 19.141 -99.200 -91.000 TYR 212 0.840 29.237 -11.135 24.371 -99.200 -91.000 TRP 232 1.040 15.876 -18.744 33.327 -99.200 -91.000 TRP6 232 1.020 16.224 -17.010 34.931 -99.200 -91.000 PHE 249 1.000 7.226 0.257 33.489 -99.200 -91.000 PHE 250 1.000 11.111 1.338 36.131 -99.200 -91.000 TRP 270 1.040 9.511 3.067 49.952 -99.200 -91.000 TRP6 270 1.020 9.697 2.216 47.742 -99.200 -91.000 TYR 279 0.840 11.180 -5.512 45.619 -99.200 -91.000 TYR 295 0.840 11.375 6.904 44.791 -99.200 -91.000 HIS 297 0.900 13.055 -4.814 40.282 -99.200 -91.000 TYR 304 0.840 21.544 -9.087 27.496 -99.200 -91.000 TYR 305 0.840 25.681 -7.683 36.338 -99.200 -91.000 TYR 307 0.840 22.503 -0.929 38.754 -99.200 -91.000 PHE 309 1.000 16.814 1.920 40.505 -99.200 -91.000 PHE 342 1.000 18.205 9.836 39.124 -99.200 -91.000