============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 4 1.000 -1.399 -17.723 17.463 -99.200 -91.000 PHE 12 1.000 13.172 -20.007 23.168 -99.200 -91.000 TYR 13 0.840 12.757 -14.239 18.062 -99.200 -91.000 PHE 24 1.000 -6.705 -1.050 20.052 -99.200 -91.000 TYR 39 0.840 13.650 -13.509 11.660 -99.200 -91.000 PHE 43 1.000 6.834 -7.439 21.523 -99.200 -91.000 HIS 73 0.900 4.964 -10.934 -5.131 -99.200 -91.000 HIS 74 0.900 8.875 -10.360 -6.476 -99.200 -91.000 HIS 80 0.900 11.465 -16.974 11.832 -99.200 -91.000 TYR 83 0.840 8.051 -17.059 20.066 -99.200 -91.000 PHE 102 1.000 4.269 8.592 -1.011 -99.200 -91.000 PHE 104 1.000 15.051 5.910 -2.717 -99.200 -91.000 PHE 119 1.000 10.934 3.545 -6.829 -99.200 -91.000 TYR 129 0.840 1.440 -13.939 -3.491 -99.200 -91.000 HIS 131 0.900 -6.564 -6.986 -5.183 -99.200 -91.000 HIS 137 0.900 -2.476 -3.815 3.018 -99.200 -91.000 PHE 138 1.000 -11.006 -4.668 2.505 -99.200 -91.000 HIS 156 0.900 15.183 -4.943 -4.613 -99.200 -91.000 PHE 162 1.000 -0.505 -8.268 4.245 -99.200 -91.000 HIS 166 0.900 -12.743 -10.218 6.025 -99.200 -91.000 PHE 174 1.000 -15.185 -7.120 5.638 -99.200 -91.000 PHE 178 1.000 -11.984 -1.541 6.459 -99.200 -91.000 PHE 183 1.000 -3.605 7.805 2.403 -99.200 -91.000 TYR 191 0.840 -22.376 -0.820 7.565 -99.200 -91.000 TRP 201 1.040 -10.673 5.610 -3.414 -99.200 -91.000 TRP6 201 1.020 -12.329 6.798 -4.607 -99.200 -91.000 TYR 208 0.840 -4.425 13.943 -6.826 -99.200 -91.000 PHE 217 1.000 -10.944 11.657 -3.637 -99.200 -91.000 TYR 234 0.840 -10.164 12.908 -9.066 -99.200 -91.000 PHE 236 1.000 -6.153 14.149 -12.592 -99.200 -91.000 PHE 240 1.000 -0.843 21.474 -5.453 -99.200 -91.000 PHE 241 1.000 -2.084 16.083 -10.218 -99.200 -91.000 HIS 243 0.900 6.569 20.220 -13.868 -99.200 -91.000 PHE 251 1.000 -2.325 3.518 -12.833 -99.200 -91.000 HIS 272 0.900 -3.582 3.310 -17.960 -99.200 -91.000 TRP 274 1.040 1.885 6.702 -16.242 -99.200 -91.000 TRP6 274 1.020 1.792 6.556 -13.888 -99.200 -91.000 PHE 296 1.000 6.828 12.762 -2.682 -99.200 -91.000 TYR 300 0.840 7.908 12.018 3.652 -99.200 -91.000