============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. TRP 4 1.040 -10.042 -3.848 4.691 -99.200 -91.000 TRP6 4 1.020 -11.232 -2.168 3.512 -99.200 -91.000 TYR 7 0.840 -11.134 -3.161 -2.192 -99.200 -91.000 PHE 12 1.000 -0.787 -10.410 -2.016 -99.200 -91.000 PHE 15 1.000 1.256 -6.596 -9.622 -99.200 -91.000 TRP 24 1.040 10.006 -6.336 10.723 -99.200 -91.000 TRP6 24 1.020 8.837 -5.019 12.297 -99.200 -91.000 TRP 27 1.040 4.791 -7.321 17.257 -99.200 -91.000 TRP6 27 1.020 5.239 -5.085 16.642 -99.200 -91.000 HIS 46 0.900 10.232 -7.682 -13.903 -99.200 -91.000 PHE 47 1.000 6.079 -5.653 -7.881 -99.200 -91.000 HIS 54 0.900 -5.656 -7.836 7.669 -99.200 -91.000 TYR 63 0.840 -3.892 -5.709 2.940 -99.200 -91.000 TYR 68 0.840 8.399 0.647 -0.625 -99.200 -91.000 PHE 78 1.000 -2.004 0.007 -6.433 -99.200 -91.000 PHE 83 1.000 -9.637 4.589 11.047 -99.200 -91.000 PHE 92 1.000 -7.950 2.174 -5.122 -99.200 -91.000 PHE 94 1.000 -1.269 3.741 -10.448 -99.200 -91.000 HIS 96 0.900 7.772 8.965 -9.785 -99.200 -91.000 TYR 101 0.840 7.241 12.959 -12.069 -99.200 -91.000 PHE 103 1.000 2.641 7.762 -12.491 -99.200 -91.000 TYR 114 0.840 -8.242 13.585 0.138 -99.200 -91.000 PHE 116 1.000 -3.771 13.272 9.514 -99.200 -91.000 PHE 117 1.000 -0.218 10.877 4.150 -99.200 -91.000 HIS 121 0.900 7.321 11.556 -2.333 -99.200 -91.000 PHE 122 1.000 -0.252 10.141 -0.815 -99.200 -91.000 PHE 127 1.000 -11.472 5.280 -5.865 -99.200 -91.000 TYR 130 0.840 -13.553 10.040 3.455 -99.200 -91.000 TYR 139 0.840 -16.288 3.363 -3.782 -99.200 -91.000 PHE 143 1.000 -7.177 -2.765 -5.094 -99.200 -91.000 TYR 146 0.840 -6.704 3.817 -9.536 -99.200 -91.000 TYR 150 0.840 2.533 -0.806 -9.605 -99.200 -91.000 TYR 166 0.840 11.466 2.741 -4.235 -99.200 -91.000 PHE 169 1.000 6.554 6.421 -0.702 -99.200 -91.000 TYR 172 0.840 5.105 13.028 1.444 -99.200 -91.000 TYR 181 0.840 -5.083 1.108 15.546 -99.200 -91.000 PHE 185 1.000 -0.438 -3.707 18.162 -99.200 -91.000 PHE 193 1.000 3.389 -1.316 11.657 -99.200 -91.000 PHE 197 1.000 6.065 -4.433 7.692 -99.200 -91.000 PHE 199 1.000 5.563 4.624 5.775 -99.200 -91.000 TYR 201 0.840 13.287 -0.137 0.716 -99.200 -91.000