============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 9 0.840 20.499 3.975 29.381 -99.200 -91.000 HIS 11 0.900 24.633 6.529 24.812 -99.200 -91.000 PHE 17 1.000 25.337 14.763 30.084 -99.200 -91.000 TYR 42 0.840 20.792 1.201 21.764 -99.200 -91.000 PHE 46 1.000 11.668 -3.496 23.040 -99.200 -91.000 PHE 65 1.000 0.825 -8.626 10.482 -99.200 -91.000 TYR 67 0.840 2.595 -4.455 14.835 -99.200 -91.000 HIS 72 0.900 -8.264 -3.395 19.473 -99.200 -91.000 TYR 75 0.840 -3.933 -5.339 26.018 -99.200 -91.000 PHE 99 1.000 9.138 7.184 27.430 -99.200 -91.000 PHE 101 1.000 14.592 10.605 23.867 -99.200 -91.000 TYR 104 0.840 20.678 8.010 17.888 -99.200 -91.000 TRP 105 1.040 18.744 11.194 11.480 -99.200 -91.000 TRP6 105 1.020 19.765 13.033 10.379 -99.200 -91.000 PHE 106 1.000 16.721 18.185 14.466 -99.200 -91.000 TRP 115 1.040 9.560 0.296 25.516 -99.200 -91.000 TRP6 115 1.020 7.903 1.824 26.278 -99.200 -91.000 PHE 124 1.000 -0.254 -1.173 28.264 -99.200 -91.000 PHE 126 1.000 -4.175 3.393 20.384 -99.200 -91.000 PHE 131 1.000 -8.749 9.524 20.032 -99.200 -91.000 TYR 132 0.840 -4.753 13.520 21.100 -99.200 -91.000 TYR 155 0.840 18.098 21.514 18.879 -99.200 -91.000 TYR 166 0.840 9.278 25.470 16.490 -99.200 -91.000 PHE 167 1.000 13.707 18.444 19.877 -99.200 -91.000 TRP 169 1.040 2.664 18.168 17.245 -99.200 -91.000 TRP6 169 1.020 1.054 19.177 18.655 -99.200 -91.000 HIS 173 0.900 -1.200 16.801 20.931 -99.200 -91.000 HIS 177 0.900 -2.743 15.533 25.504 -99.200 -91.000 PHE 178 1.000 -3.813 8.661 20.013 -99.200 -91.000 PHE 181 1.000 2.361 7.728 29.653 -99.200 -91.000 PHE 190 1.000 19.195 22.663 24.791 -99.200 -91.000 TRP 207 1.040 18.039 13.611 35.281 -99.200 -91.000 TRP6 207 1.020 15.737 14.022 34.907 -99.200 -91.000 TRP 215 1.040 7.911 11.849 43.330 -99.200 -91.000 TRP6 215 1.020 6.951 10.439 41.682 -99.200 -91.000 HIS 225 0.900 0.171 29.557 23.615 -99.200 -91.000 TRP 226 1.040 4.422 24.064 26.930 -99.200 -91.000 TRP6 226 1.020 6.094 22.576 26.145 -99.200 -91.000 HIS 227 0.900 4.168 20.534 22.292 -99.200 -91.000 PHE 228 1.000 3.874 23.022 16.996 -99.200 -91.000