============================================================================= 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. HIS 3 0.900 21.939 -12.328 0.011 -99.200 -91.000 TYR 7 0.840 10.464 -3.321 -5.193 -99.200 -91.000 PHE 8 1.000 9.203 -2.888 3.397 -99.200 -91.000 HIS 9 0.900 4.463 -0.793 -2.511 -99.200 -91.000 PHE 22 1.000 2.767 5.379 -3.612 -99.200 -91.000 TYR 27 0.840 14.555 -0.769 3.168 -99.200 -91.000 PHE 33 1.000 16.362 -1.846 -4.700 -99.200 -91.000 PHE 36 1.000 6.692 8.329 -6.995 -99.200 -91.000 TRP 51 1.040 23.682 -1.975 -4.609 -99.200 -91.000 TRP6 51 1.020 21.436 -2.590 -4.962 -99.200 -91.000 TYR 59 0.840 15.514 -0.310 -12.579 -99.200 -91.000 TRP 60 1.040 16.880 4.868 -13.077 -99.200 -91.000 TRP6 60 1.020 16.666 4.221 -10.830 -99.200 -91.000 TYR 84 0.840 -14.875 -2.955 0.045 -99.200 -91.000 TYR 85 0.840 -13.064 -1.962 6.967 -99.200 -91.000 HIS 93 0.900 -10.031 6.270 7.667 -99.200 -91.000 TYR 99 0.840 5.591 -5.738 -4.877 -99.200 -91.000 TYR 113 0.840 7.675 -12.928 2.629 -99.200 -91.000 HIS 114 0.900 0.048 -8.291 -2.980 -99.200 -91.000 TYR 118 0.840 -8.951 1.363 5.873 -99.200 -91.000 TYR 123 0.840 -8.930 -5.011 3.104 -99.200 -91.000 TRP 133 1.040 -6.254 -14.275 -2.600 -99.200 -91.000 TRP6 133 1.020 -4.565 -12.642 -2.800 -99.200 -91.000 TRP 147 1.040 -7.880 -8.450 -5.333 -99.200 -91.000 TRP6 147 1.020 -6.166 -8.014 -3.795 -99.200 -91.000 TYR 159 0.840 7.252 -9.114 -9.094 -99.200 -91.000 TRP 167 1.040 14.372 -7.796 -12.937 -99.200 -91.000 TRP6 167 1.020 15.594 -6.043 -13.910 -99.200 -91.000 TYR 171 0.840 17.766 -5.114 -8.433 -99.200 -91.000 HIS 188 0.900 32.040 0.007 24.009 -99.200 -91.000 HIS 191 0.900 30.841 -0.269 37.046 -99.200 -91.000 HIS 192 0.900 27.288 3.385 31.871 -99.200 -91.000 HIS 197 0.900 23.933 -0.243 49.119 -99.200 -91.000 TRP 204 1.040 27.834 0.414 24.956 -99.200 -91.000 TRP6 204 1.020 26.454 2.138 24.144 -99.200 -91.000 PHE 208 1.000 24.664 -4.485 14.856 -99.200 -91.000 TYR 209 0.840 24.122 -4.722 5.592 -99.200 -91.000 TRP 217 1.040 24.487 -7.973 29.810 -99.200 -91.000 TRP6 217 1.020 26.742 -7.882 30.483 -99.200 -91.000 PHE 241 1.000 20.813 -1.654 10.355 -99.200 -91.000 TRP 244 1.040 22.147 0.720 24.667 -99.200 -91.000 TRP6 244 1.020 20.713 0.392 26.526 -99.200 -91.000 TYR 257 0.840 25.876 -10.030 36.632 -99.200 -91.000 HIS 260 0.900 27.768 -15.402 26.775 -99.200 -91.000 HIS 263 0.900 26.533 -9.145 12.520 -99.200 -91.000 TRP 274 1.040 33.932 -3.442 34.751 -99.200 -91.000 TRP6 274 1.020 34.241 -1.455 33.519 -99.200 -91.000