============================================================================= 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 -8.686 22.214 -2.136 -99.200 -91.000 HIS 30 0.900 -27.380 6.551 -7.494 -99.200 -91.000 TYR 35 0.840 -27.336 -1.738 -14.832 -99.200 -91.000 HIS 37 0.900 -27.639 4.793 -11.327 -99.200 -91.000 TRP 52 1.040 -8.320 -4.691 -14.380 -99.200 -91.000 TRP6 52 1.020 -8.160 -5.093 -16.694 -99.200 -91.000 TYR 58 0.840 -19.941 -1.378 -8.154 -99.200 -91.000 HIS 69 0.900 -20.044 -8.227 14.293 -99.200 -91.000 TYR 76 0.840 -4.033 -1.427 13.787 -99.200 -91.000 TRP 80 1.040 5.775 -5.607 13.161 -99.200 -91.000 TRP6 80 1.020 4.654 -4.090 11.732 -99.200 -91.000 TYR 81 0.840 4.584 -5.702 18.959 -99.200 -91.000 PHE 106 1.000 3.883 -9.779 4.713 -99.200 -91.000 PHE 107 1.000 -4.285 -11.974 4.449 -99.200 -91.000 PHE 121 1.000 9.922 -15.431 0.810 -99.200 -91.000 PHE 124 1.000 14.196 -12.956 5.256 -99.200 -91.000 TYR 125 0.840 14.275 -18.828 -1.439 -99.200 -91.000 TYR 141 0.840 10.623 -4.193 -23.074 -99.200 -91.000 TYR 144 0.840 0.447 -1.413 -13.395 -99.200 -91.000 HIS 145 0.900 4.265 -7.786 -12.866 -99.200 -91.000 TRP 161 1.040 8.891 2.077 -18.119 -99.200 -91.000 TRP6 161 1.020 10.566 0.919 -19.318 -99.200 -91.000 PHE 164 1.000 7.151 8.652 -12.352 -99.200 -91.000 PHE 173 1.000 11.343 -4.126 -18.001 -99.200 -91.000 HIS 181 0.900 4.352 -7.596 -30.265 -99.200 -91.000 PHE 190 1.000 5.429 -14.587 -30.325 -99.200 -91.000 PHE 198 1.000 12.946 -17.328 -18.259 -99.200 -91.000 PHE 213 1.000 8.881 -15.239 -15.942 -99.200 -91.000 TYR 231 0.840 5.297 -16.796 -21.562 -99.200 -91.000 HIS 232 0.900 0.896 -18.810 -18.781 -99.200 -91.000 PHE 235 1.000 9.047 -17.925 -20.503 -99.200 -91.000 HIS 242 0.900 18.954 -22.319 -15.324 -99.200 -91.000 TYR 246 0.840 5.768 -18.665 -13.326 -99.200 -91.000 PHE 255 1.000 -9.363 -14.118 -4.133 -99.200 -91.000 TRP 261 1.040 -12.375 -20.399 -5.671 -99.200 -91.000 TRP6 261 1.020 -13.565 -18.591 -4.704 -99.200 -91.000 PHE 262 1.000 -5.684 -17.629 -5.745 -99.200 -91.000 PHE 268 1.000 -3.979 -18.369 -18.297 -99.200 -91.000 PHE 277 1.000 -3.984 -12.747 -1.795 -99.200 -91.000 TYR 285 0.840 -18.684 -4.297 -1.865 -99.200 -91.000 TRP 310 1.040 14.941 -12.339 14.225 -99.200 -91.000 TRP6 310 1.020 13.344 -12.401 15.963 -99.200 -91.000 PHE 311 1.000 9.413 -11.242 4.898 -99.200 -91.000 TYR 315 0.840 3.664 -2.724 3.242 -99.200 -91.000 TYR 317 0.840 -3.919 1.134 8.362 -99.200 -91.000 TYR 349 0.840 -24.686 -14.782 -24.379 -99.200 -91.000 PHE 350 1.000 -16.607 -10.796 -21.718 -99.200 -91.000 PHE 387 1.000 -12.436 4.701 -35.260 -99.200 -91.000 PHE 396 1.000 -19.339 8.820 -18.911 -99.200 -91.000 HIS 440 0.900 -13.552 9.401 -36.588 -99.200 -91.000