============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 16 1.000 28.057 -0.392 17.989 -99.200 -91.000 HIS 25 0.900 22.927 8.638 5.714 -99.200 -91.000 TYR 27 0.840 18.089 3.338 12.869 -99.200 -91.000 TYR 30 0.840 24.187 -3.244 10.178 -99.200 -91.000 TYR 40 0.840 14.290 -15.248 0.742 -99.200 -91.000 HIS 42 0.900 11.735 -19.614 -0.490 -99.200 -91.000 PHE 67 1.000 22.039 -15.782 13.971 -99.200 -91.000 PHE 90 1.000 18.843 2.052 31.441 -99.200 -91.000 PHE 105 1.000 21.324 12.888 30.668 -99.200 -91.000 HIS 125 0.900 7.209 18.331 30.471 -99.200 -91.000 HIS 126 0.900 10.360 13.764 24.546 -99.200 -91.000 TYR 133 0.840 3.776 8.191 32.513 -99.200 -91.000 PHE 134 1.000 13.342 2.253 30.968 -99.200 -91.000 PHE 137 1.000 5.723 6.513 27.624 -99.200 -91.000 TYR 164 0.840 -11.875 19.256 15.615 -99.200 -91.000 PHE 172 1.000 -6.829 0.714 15.002 -99.200 -91.000 HIS 188 0.900 -13.047 22.305 12.065 -99.200 -91.000 PHE 191 1.000 -4.202 23.262 8.903 -99.200 -91.000 HIS 203 0.900 -5.053 24.779 23.690 -99.200 -91.000 HIS 213 0.900 -9.673 13.482 34.663 -99.200 -91.000 PHE 214 1.000 -7.266 8.373 25.445 -99.200 -91.000 PHE 226 1.000 -0.606 16.013 22.946 -99.200 -91.000 TYR 241 0.840 -7.159 -0.855 30.548 -99.200 -91.000 HIS 243 0.900 -0.159 6.632 32.928 -99.200 -91.000 TYR 256 0.840 -7.851 11.224 4.904 -99.200 -91.000 TYR 257 0.840 -7.841 10.962 -0.548 -99.200 -91.000 TYR 262 0.840 3.892 11.479 8.351 -99.200 -91.000 PHE 263 1.000 0.469 10.239 12.403 -99.200 -91.000 PHE 269 1.000 4.521 1.873 1.795 -99.200 -91.000 HIS 276 0.900 9.562 3.270 -7.515 -99.200 -91.000 PHE 282 1.000 6.149 11.917 -10.439 -99.200 -91.000 TYR 287 0.840 2.422 19.419 5.036 -99.200 -91.000 PHE 311 1.000 0.626 3.200 -2.884 -99.200 -91.000 TYR 313 0.840 0.249 11.996 -9.781 -99.200 -91.000 TRP 316 1.040 6.307 1.316 -6.200 -99.200 -91.000 TRP6 316 1.020 6.512 1.606 -3.860 -99.200 -91.000 TYR 318 0.840 -4.017 1.446 -2.616 -99.200 -91.000