============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. HIS 2 0.900 -22.143 -0.348 28.243 -99.200 -91.000 HIS 4 0.900 -22.697 -2.178 21.418 -99.200 -91.000 HIS 20 0.900 -44.221 -18.383 18.099 -99.200 -91.000 PHE 57 1.000 -42.964 -39.265 -10.705 -99.200 -91.000 TYR 58 0.840 -38.699 -39.686 -2.937 -99.200 -91.000 PHE 79 1.000 -28.748 -30.715 -2.309 -99.200 -91.000 HIS 80 0.900 -28.653 -24.105 -4.579 -99.200 -91.000 TYR 84 0.840 -32.825 -21.707 -6.593 -99.200 -91.000 PHE 93 1.000 -40.798 -29.494 -6.967 -99.200 -91.000 TYR 137 0.840 -29.974 -20.921 -0.339 -99.200 -91.000 PHE 144 1.000 -37.851 -24.420 7.628 -99.200 -91.000 TRP 147 1.040 -24.460 -25.809 10.781 -99.200 -91.000 TRP6 147 1.020 -23.143 -24.370 9.431 -99.200 -91.000 HIS 156 0.900 -11.062 -42.091 26.053 -99.200 -91.000 TYR 173 0.840 -27.588 -22.565 11.115 -99.200 -91.000 HIS 196 0.900 -24.957 -44.555 23.708 -99.200 -91.000 TYR 203 0.840 -23.265 -36.547 32.572 -99.200 -91.000 TYR 213 0.840 -30.830 -23.761 23.708 -99.200 -91.000 HIS 219 0.900 -21.179 -16.795 18.687 -99.200 -91.000 HIS 220 0.900 -24.296 -10.492 21.775 -99.200 -91.000 TYR 222 0.840 -36.300 -12.828 18.758 -99.200 -91.000 HIS 237 0.900 -29.462 -47.259 16.700 -99.200 -91.000 TYR 243 0.840 -33.313 -48.133 28.924 -99.200 -91.000 HIS 245 0.900 -42.328 -47.241 22.470 -99.200 -91.000 PHE 269 1.000 -38.081 -34.290 20.443 -99.200 -91.000 TRP 295 1.040 -39.119 -25.505 25.393 -99.200 -91.000 TRP6 295 1.020 -39.133 -27.596 26.502 -99.200 -91.000 PHE 299 1.000 -44.100 -34.238 12.007 -99.200 -91.000 TYR 301 0.840 -40.239 -37.888 13.089 -99.200 -91.000 TRP 313 1.040 -41.866 -43.568 -7.439 -99.200 -91.000 TRP6 313 1.020 -39.687 -42.657 -7.354 -99.200 -91.000 TYR 327 0.840 -45.649 -36.908 2.706 -99.200 -91.000 TYR 342 0.840 -49.474 -43.150 16.642 -99.200 -91.000 HIS 351 0.900 -38.419 -36.849 42.515 -99.200 -91.000 TYR 353 0.840 -36.532 -41.229 33.933 -99.200 -91.000