============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. HIS 9 0.900 28.815 -1.780 -6.626 -99.200 -91.000 HIS 13 0.900 29.004 -14.042 -2.371 -99.200 -91.000 PHE 16 1.000 16.552 -15.146 -6.069 -99.200 -91.000 PHE 18 1.000 11.226 -10.902 -6.975 -99.200 -91.000 TYR 21 0.840 8.261 -2.687 -11.585 -99.200 -91.000 TRP 34 1.040 6.726 -9.684 -4.690 -99.200 -91.000 TRP6 34 1.020 8.182 -7.832 -4.483 -99.200 -91.000 TRP 47 1.040 22.954 -6.351 -8.771 -99.200 -91.000 TRP6 47 1.020 23.025 -4.033 -8.313 -99.200 -91.000 HIS 54 0.900 16.032 -3.691 -7.735 -99.200 -91.000 TRP 55 1.040 22.811 -3.220 -3.577 -99.200 -91.000 TRP6 55 1.020 24.252 -5.092 -3.438 -99.200 -91.000 TYR 67 0.840 11.678 0.959 4.265 -99.200 -91.000 TYR 70 0.840 17.172 10.503 9.119 -99.200 -91.000 HIS 72 0.900 24.852 5.110 6.893 -99.200 -91.000 PHE 73 1.000 20.301 1.723 3.793 -99.200 -91.000 PHE 79 1.000 7.561 6.316 -7.246 -99.200 -91.000 TYR 88 0.840 5.283 10.291 -6.095 -99.200 -91.000 PHE 90 1.000 1.089 12.923 -5.830 -99.200 -91.000 PHE 103 1.000 6.257 20.246 3.704 -99.200 -91.000 PHE 142 1.000 -14.373 -6.440 -2.457 -99.200 -91.000 TYR 146 0.840 -17.014 -2.232 0.012 -99.200 -91.000 PHE 150 1.000 -15.225 1.872 2.524 -99.200 -91.000 PHE 155 1.000 -9.083 13.321 -1.265 -99.200 -91.000 HIS 168 0.900 -12.021 16.079 -14.039 -99.200 -91.000 TYR 171 0.840 -10.217 10.293 -17.569 -99.200 -91.000 PHE 185 1.000 2.597 10.321 -12.506 -99.200 -91.000 TYR 193 0.840 -0.096 18.607 -8.629 -99.200 -91.000 TYR 195 0.840 -11.131 18.629 -8.184 -99.200 -91.000 PHE 248 1.000 -5.274 -5.542 3.576 -99.200 -91.000 PHE 251 1.000 -3.330 -8.827 -2.981 -99.200 -91.000 PHE 255 1.000 -7.777 -16.194 4.327 -99.200 -91.000 HIS 262 0.900 -9.141 -18.446 8.276 -99.200 -91.000 PHE 284 1.000 -4.097 -12.690 2.089 -99.200 -91.000 TYR 297 0.840 25.746 1.771 6.057 -99.200 -91.000 PHE 299 1.000 21.752 -2.748 5.868 -99.200 -91.000 HIS 300 0.900 22.523 -6.684 8.649 -99.200 -91.000 HIS 329 0.900 -0.307 -22.499 6.637 -99.200 -91.000 PHE 332 1.000 -9.010 -13.978 10.699 -99.200 -91.000 HIS 339 0.900 1.803 -5.148 10.054 -99.200 -91.000 PHE 342 1.000 -1.262 0.253 7.521 -99.200 -91.000 HIS 344 0.900 10.303 -0.081 11.270 -99.200 -91.000 HIS 347 0.900 9.708 9.107 3.915 -99.200 -91.000 HIS 353 0.900 -3.176 6.057 13.234 -99.200 -91.000 TRP 366 1.040 -19.102 -9.036 2.027 -99.200 -91.000 TRP6 366 1.020 -19.205 -7.924 -0.059 -99.200 -91.000 PHE 373 1.000 -17.571 -13.328 0.999 -99.200 -91.000 HIS 383 0.900 -3.034 -12.613 -6.151 -99.200 -91.000 TRP 398 1.040 -24.506 -12.206 -2.633 -99.200 -91.000 TRP6 398 1.020 -22.827 -10.831 -3.581 -99.200 -91.000