============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TRP 8 1.040 21.729 15.784 19.299 -99.200 -91.000 TRP6 8 1.020 20.614 14.309 20.780 -99.200 -91.000 TYR 18 0.840 2.191 10.809 11.421 -99.200 -91.000 TRP 25 1.040 18.338 8.147 23.680 -99.200 -91.000 TRP6 25 1.020 18.863 7.421 25.877 -99.200 -91.000 PHE 42 1.000 12.820 4.965 11.184 -99.200 -91.000 HIS 49 0.900 24.279 3.003 17.701 -99.200 -91.000 TYR 58 0.840 12.488 5.219 20.569 -99.200 -91.000 TYR 62 0.840 8.552 13.876 17.336 -99.200 -91.000 PHE 63 1.000 -0.466 13.094 16.269 -99.200 -91.000 HIS 66 0.900 11.704 13.387 21.373 -99.200 -91.000 TRP 67 1.040 13.496 16.159 26.021 -99.200 -91.000 TRP6 67 1.020 12.865 13.878 25.938 -99.200 -91.000 TRP 90 1.040 5.975 1.111 13.387 -99.200 -91.000 TRP6 90 1.020 7.284 0.072 15.064 -99.200 -91.000 TRP 100 1.040 17.187 -5.647 17.143 -99.200 -91.000 TRP6 100 1.020 14.929 -6.187 16.711 -99.200 -91.000 TYR 104 0.840 3.442 2.403 18.798 -99.200 -91.000 TRP 107 1.040 8.521 10.522 25.916 -99.200 -91.000 TRP6 107 1.020 9.803 10.044 27.855 -99.200 -91.000 PHE 108 1.000 0.920 9.353 28.944 -99.200 -91.000 TYR 118 0.840 8.370 14.527 27.691 -99.200 -91.000 TRP 127 1.040 9.653 -2.589 25.463 -99.200 -91.000 TRP6 127 1.020 11.728 -3.641 25.920 -99.200 -91.000 TRP 130 1.040 11.844 -9.530 22.587 -99.200 -91.000 TRP6 130 1.020 9.495 -9.295 22.802 -99.200 -91.000 TRP 151 1.040 -0.553 -6.268 25.654 -99.200 -91.000 TRP6 151 1.020 0.772 -5.576 23.814 -99.200 -91.000 TRP 154 1.040 8.529 -6.154 32.131 -99.200 -91.000 TRP6 154 1.020 10.516 -7.057 33.053 -99.200 -91.000 TYR 155 0.840 6.170 1.868 38.731 -99.200 -91.000 TRP 158 1.040 14.007 4.300 36.463 -99.200 -91.000 TRP6 158 1.020 13.912 3.775 34.157 -99.200 -91.000 TRP 160 1.040 10.739 8.914 32.817 -99.200 -91.000 TRP6 160 1.020 12.799 10.020 32.466 -99.200 -91.000 TYR 162 0.840 10.644 1.742 31.515 -99.200 -91.000 TYR 165 0.840 1.052 -1.473 29.751 -99.200 -91.000 PHE 182 1.000 -1.559 -1.347 25.192 -99.200 -91.000 TYR 191 0.840 2.259 1.554 37.800 -99.200 -91.000 TRP 196 1.040 0.312 13.722 35.825 -99.200 -91.000 TRP6 196 1.020 1.735 11.875 36.216 -99.200 -91.000 TYR 197 0.840 -1.882 19.298 30.091 -99.200 -91.000 HIS 199 0.900 3.704 17.158 27.250 -99.200 -91.000 PHE 205 1.000 12.815 -0.343 14.410 -99.200 -91.000 TRP 208 1.040 20.213 -1.994 25.337 -99.200 -91.000 TRP6 208 1.020 17.907 -2.071 24.805 -99.200 -91.000 PHE 219 1.000 3.840 6.776 14.034 -99.200 -91.000