============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. TYR 12 0.840 -32.568 -27.109 17.488 -99.200 -91.000 PHE 13 1.000 -32.805 -31.497 9.511 -99.200 -91.000 TYR 18 0.840 -28.868 -28.563 7.607 -99.200 -91.000 TYR 19 0.840 -33.881 -23.583 13.877 -99.200 -91.000 PHE 21 1.000 -38.956 -20.850 13.661 -99.200 -91.000 TRP 25 1.040 -43.954 -14.726 8.666 -99.200 -91.000 TRP6 25 1.020 -44.612 -12.612 7.863 -99.200 -91.000 TRP 33 1.040 -53.871 -20.545 12.964 -99.200 -91.000 TRP6 33 1.020 -51.869 -21.409 13.870 -99.200 -91.000 TRP 34 1.040 -55.147 -28.351 11.236 -99.200 -91.000 TRP6 34 1.020 -53.858 -29.632 9.817 -99.200 -91.000 TYR 38 0.840 -43.347 -35.145 7.960 -99.200 -91.000 HIS 39 0.900 -35.500 -35.778 11.318 -99.200 -91.000 TRP 47 1.040 -43.718 -27.395 5.863 -99.200 -91.000 TRP6 47 1.020 -41.373 -27.430 5.629 -99.200 -91.000 TRP 49 1.040 -50.346 -25.793 4.214 -99.200 -91.000 TRP6 49 1.020 -48.488 -26.713 3.078 -99.200 -91.000 TRP 51 1.040 -51.442 -21.949 7.633 -99.200 -91.000 TRP6 51 1.020 -51.481 -20.649 9.589 -99.200 -91.000 TYR 61 0.840 -40.096 -19.459 4.733 -99.200 -91.000 TRP 68 1.040 -30.046 -14.075 13.234 -99.200 -91.000 TRP6 68 1.020 -31.668 -13.038 11.873 -99.200 -91.000 HIS 69 0.900 -36.356 -16.959 11.140 -99.200 -91.000 TRP 70 1.040 -35.764 -11.416 13.704 -99.200 -91.000 TRP6 70 1.020 -36.161 -11.947 11.456 -99.200 -91.000 TYR 74 0.840 -24.705 -15.907 12.796 -99.200 -91.000 PHE 80 1.000 -25.252 -19.837 6.128 -99.200 -91.000 TYR 96 0.840 -40.303 -28.680 -3.619 -99.200 -91.000 TYR 104 0.840 -49.122 -24.522 -2.701 -99.200 -91.000 TYR 108 0.840 -33.210 -23.070 -1.334 -99.200 -91.000 TRP 111 1.040 -33.896 -14.128 6.888 -99.200 -91.000 TRP6 111 1.020 -35.249 -12.265 6.416 -99.200 -91.000 HIS 113 0.900 -28.824 -10.003 10.046 -99.200 -91.000 TRP 120 1.040 -32.542 -10.836 21.646 -99.200 -91.000 TRP6 120 1.020 -34.414 -9.425 21.854 -99.200 -91.000 TRP 131 1.040 -40.727 -16.863 -4.308 -99.200 -91.000 TRP6 131 1.020 -43.015 -16.309 -4.414 -99.200 -91.000 TYR 143 0.840 -40.568 -9.131 -14.970 -99.200 -91.000 HIS 152 0.900 -32.851 -24.539 -12.050 -99.200 -91.000 TRP 154 1.040 -33.456 -18.419 -11.454 -99.200 -91.000 TRP6 154 1.020 -34.435 -19.929 -9.937 -99.200 -91.000 TYR 157 0.840 -41.492 -10.565 -9.722 -99.200 -91.000 TYR 160 0.840 -37.411 -0.779 2.944 -99.200 -91.000 TRP 169 1.040 -36.653 -7.626 5.299 -99.200 -91.000 TRP6 169 1.020 -37.140 -7.434 7.598 -99.200 -91.000 PHE 172 1.000 -32.175 -7.122 -3.626 -99.200 -91.000 PHE 174 1.000 -32.700 -13.651 -7.898 -99.200 -91.000 PHE 190 1.000 -29.911 -17.797 -7.721 -99.200 -91.000 TYR 193 0.840 -29.388 -10.523 -11.459 -99.200 -91.000 TRP 200 1.040 -30.403 -3.000 -7.765 -99.200 -91.000 TRP6 200 1.020 -31.906 -4.348 -8.952 -99.200 -91.000 TYR 206 0.840 -19.982 -10.281 7.858 -99.200 -91.000 PHE 212 1.000 -37.381 -25.505 -0.066 -99.200 -91.000 PHE 217 1.000 -48.877 -15.789 -0.069 -99.200 -91.000 TRP 228 1.040 -31.802 -29.165 4.375 -99.200 -91.000 TRP6 228 1.020 -32.375 -27.183 3.248 -99.200 -91.000