============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. HIS 3 0.900 22.171 -21.644 -27.059 -99.200 -91.000 TYR 7 0.840 10.260 -13.053 -32.779 -99.200 -91.000 PHE 8 1.000 9.292 -12.687 -24.292 -99.200 -91.000 TYR 9 0.840 3.964 -10.732 -31.502 -99.200 -91.000 PHE 22 1.000 2.164 -5.905 -32.158 -99.200 -91.000 TYR 27 0.840 14.291 -10.444 -24.737 -99.200 -91.000 PHE 33 1.000 16.137 -11.804 -32.458 -99.200 -91.000 PHE 36 1.000 6.014 -2.542 -35.815 -99.200 -91.000 TRP 51 1.040 23.673 -11.399 -32.194 -99.200 -91.000 TRP6 51 1.020 21.509 -12.184 -32.735 -99.200 -91.000 TYR 59 0.840 15.510 -10.595 -40.182 -99.200 -91.000 TRP 60 1.040 16.751 -5.453 -41.213 -99.200 -91.000 TRP6 60 1.020 16.525 -5.837 -38.888 -99.200 -91.000 PHE 67 1.000 7.383 -7.976 -35.485 -99.200 -91.000 TYR 74 0.840 -2.006 -9.461 -31.060 -99.200 -91.000 TYR 84 0.840 -14.572 -12.761 -27.620 -99.200 -91.000 TYR 85 0.840 -12.876 -11.865 -20.599 -99.200 -91.000 HIS 93 0.900 -9.966 -3.897 -20.374 -99.200 -91.000 TYR 99 0.840 5.577 -15.970 -31.787 -99.200 -91.000 HIS 113 0.900 7.456 -23.139 -24.470 -99.200 -91.000 TYR 118 0.840 -8.772 -8.864 -21.958 -99.200 -91.000 TYR 123 0.840 -8.663 -14.989 -24.216 -99.200 -91.000 TRP 133 1.040 -5.815 -23.940 -30.171 -99.200 -91.000 TRP6 133 1.020 -3.999 -22.459 -30.261 -99.200 -91.000 TRP 147 1.040 -6.890 -17.805 -32.677 -99.200 -91.000 TRP6 147 1.020 -5.172 -17.615 -31.061 -99.200 -91.000 TYR 159 0.840 7.511 -19.368 -36.237 -99.200 -91.000 TRP 167 1.040 14.620 -17.646 -40.304 -99.200 -91.000 TRP6 167 1.020 15.921 -15.913 -41.255 -99.200 -91.000 TYR 171 0.840 17.770 -14.962 -35.806 -99.200 -91.000 HIS 188 0.900 31.984 -8.972 -3.743 -99.200 -91.000 HIS 191 0.900 31.022 -9.550 9.324 -99.200 -91.000 HIS 192 0.900 28.886 -4.204 5.077 -99.200 -91.000 HIS 197 0.900 22.106 -9.437 19.281 -99.200 -91.000 TRP 204 1.040 27.596 -8.411 -3.037 -99.200 -91.000 TRP6 204 1.020 26.211 -6.839 -4.139 -99.200 -91.000 PHE 208 1.000 24.690 -13.732 -12.846 -99.200 -91.000 TYR 209 0.840 24.099 -14.153 -22.068 -99.200 -91.000 TRP 217 1.040 24.422 -16.787 2.097 -99.200 -91.000 TRP6 217 1.020 26.690 -16.827 2.758 -99.200 -91.000 PHE 241 1.000 20.833 -10.962 -17.353 -99.200 -91.000 TRP 244 1.040 22.087 -8.158 -3.235 -99.200 -91.000 TRP6 244 1.020 20.636 -8.451 -1.380 -99.200 -91.000 TYR 257 0.840 25.433 -19.053 8.953 -99.200 -91.000 HIS 260 0.900 27.637 -24.624 -1.040 -99.200 -91.000 HIS 263 0.900 26.440 -18.415 -15.155 -99.200 -91.000 TRP 274 1.040 33.791 -11.829 6.124 -99.200 -91.000 TRP6 274 1.020 34.149 -11.704 8.455 -99.200 -91.000