============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. TRP 7 1.040 0.277 -19.636 4.657 -99.200 -91.000 TRP6 7 1.020 0.313 -17.714 3.278 -99.200 -91.000 PHE 8 1.000 -0.955 -18.206 -1.823 -99.200 -91.000 PHE 11 1.000 -5.926 -24.141 -7.404 -99.200 -91.000 TRP 22 1.040 10.953 -16.975 -6.392 -99.200 -91.000 TRP6 22 1.020 10.742 -15.349 -8.098 -99.200 -91.000 TRP 28 1.040 -2.663 -11.208 -6.050 -99.200 -91.000 TRP6 28 1.020 -3.232 -9.153 -7.088 -99.200 -91.000 TYR 32 0.840 -5.497 -12.393 3.675 -99.200 -91.000 TYR 40 0.840 3.162 -21.415 12.592 -99.200 -91.000 TYR 41 0.840 3.419 -16.476 11.857 -99.200 -91.000 PHE 53 1.000 15.123 5.434 8.336 -99.200 -91.000 TYR 58 0.840 9.473 13.326 2.798 -99.200 -91.000 HIS 61 0.900 3.164 18.409 4.221 -99.200 -91.000 TYR 62 0.840 3.797 12.930 3.480 -99.200 -91.000 PHE 66 1.000 4.018 4.243 8.591 -99.200 -91.000 HIS 73 0.900 -6.499 -0.271 9.659 -99.200 -91.000 PHE 74 1.000 3.163 -3.927 10.935 -99.200 -91.000 HIS 78 0.900 -0.186 -12.125 16.062 -99.200 -91.000 PHE 82 1.000 3.709 0.928 15.412 -99.200 -91.000 TYR 83 0.840 12.312 -1.348 16.213 -99.200 -91.000 PHE 103 1.000 6.660 5.957 21.107 -99.200 -91.000 PHE 106 1.000 16.473 4.033 18.143 -99.200 -91.000 TRP 114 1.040 15.020 14.803 -3.303 -99.200 -91.000 TRP6 114 1.020 14.473 12.739 -4.336 -99.200 -91.000 HIS 128 0.900 18.784 2.324 14.798 -99.200 -91.000 HIS 132 0.900 17.299 -1.216 18.125 -99.200 -91.000 HIS 135 0.900 20.401 -9.080 20.121 -99.200 -91.000 PHE 139 1.000 8.525 -13.625 10.746 -99.200 -91.000 PHE 141 1.000 6.354 -6.638 6.391 -99.200 -91.000 PHE 149 1.000 0.247 0.096 7.995 -99.200 -91.000 PHE 153 1.000 1.112 -4.579 5.384 -99.200 -91.000 TRP 168 1.040 1.356 4.279 -10.458 -99.200 -91.000 TRP6 168 1.020 -0.064 5.490 -11.918 -99.200 -91.000 TRP 169 1.040 6.032 0.833 -13.064 -99.200 -91.000 TRP6 169 1.020 6.162 1.383 -15.360 -99.200 -91.000 TYR 170 0.840 -1.417 -5.120 -10.913 -99.200 -91.000 PHE 177 1.000 8.532 -5.072 -14.628 -99.200 -91.000 TYR 179 0.840 13.834 -4.433 -13.416 -99.200 -91.000 TYR 188 0.840 22.999 -3.389 -17.003 -99.200 -91.000 PHE 191 1.000 15.976 -2.289 -21.712 -99.200 -91.000 PHE 196 1.000 6.571 -11.033 -10.152 -99.200 -91.000 TYR 197 0.840 10.263 -0.812 -10.502 -99.200 -91.000 TYR 198 0.840 10.304 -7.790 -6.535 -99.200 -91.000 HIS 199 0.900 6.311 1.682 -3.960 -99.200 -91.000 PHE 203 1.000 13.340 -2.748 2.679 -99.200 -91.000 PHE 218 1.000 24.977 3.052 2.782 -99.200 -91.000 TRP 233 1.040 12.611 5.572 -10.806 -99.200 -91.000 TRP6 233 1.020 11.382 7.462 -10.077 -99.200 -91.000 HIS 234 0.900 16.718 8.572 -6.409 -99.200 -91.000 HIS 238 0.900 21.829 0.850 -5.771 -99.200 -91.000 TYR 242 0.840 19.011 -8.701 -1.364 -99.200 -91.000 PHE 243 1.000 13.375 -7.986 -2.335 -99.200 -91.000 TYR 256 0.840 -1.401 -7.305 1.737 -99.200 -91.000 TRP 258 1.040 -4.849 1.032 -5.661 -99.200 -91.000 TRP6 258 1.020 -4.002 -0.075 -7.574 -99.200 -91.000 TYR 260 0.840 -7.565 4.225 -2.702 -99.200 -91.000 HIS 261 0.900 -3.303 10.355 -10.490 -99.200 -91.000 TRP 275 1.040 1.421 4.319 -3.653 -99.200 -91.000 TRP6 275 1.020 2.672 4.919 -5.568 -99.200 -91.000 TYR 280 0.840 7.933 14.046 -4.923 -99.200 -91.000