============================================================================= 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 -17.384 -41.797 30.012 -99.200 -91.000 HIS 4 0.900 -17.723 -40.841 37.150 -99.200 -91.000 HIS 20 0.900 -41.615 -29.003 42.936 -99.200 -91.000 PHE 57 1.000 -41.084 -8.124 71.776 -99.200 -91.000 TYR 58 0.840 -38.286 -6.740 63.483 -99.200 -91.000 PHE 79 1.000 -26.618 -13.440 61.370 -99.200 -91.000 HIS 80 0.900 -24.847 -19.801 63.617 -99.200 -91.000 TYR 84 0.840 -28.101 -22.877 66.105 -99.200 -91.000 PHE 93 1.000 -37.405 -16.917 67.563 -99.200 -91.000 TYR 137 0.840 -26.085 -23.316 59.582 -99.200 -91.000 PHE 144 1.000 -35.393 -21.685 52.577 -99.200 -91.000 TRP 147 1.040 -23.058 -17.541 47.928 -99.200 -91.000 TRP6 147 1.020 -21.284 -18.625 49.067 -99.200 -91.000 HIS 156 0.900 -14.998 1.084 31.538 -99.200 -91.000 TYR 173 0.840 -25.478 -21.366 47.903 -99.200 -91.000 HIS 196 0.900 -28.998 0.490 35.362 -99.200 -91.000 TYR 203 0.840 -26.341 -7.081 26.631 -99.200 -91.000 TYR 213 0.840 -30.338 -21.073 35.763 -99.200 -91.000 HIS 219 0.900 -19.014 -25.817 39.618 -99.200 -91.000 HIS 220 0.900 -20.904 -32.687 37.073 -99.200 -91.000 TYR 222 0.840 -32.796 -32.796 41.230 -99.200 -91.000 HIS 237 0.900 -33.459 4.434 43.553 -99.200 -91.000 TYR 243 0.840 -38.367 2.235 31.133 -99.200 -91.000 HIS 245 0.900 -46.049 -0.400 38.764 -99.200 -91.000 PHE 269 1.000 -39.234 -12.150 40.068 -99.200 -91.000 TRP 295 1.040 -39.081 -20.978 35.121 -99.200 -91.000 TRP6 295 1.020 -39.683 -18.932 34.091 -99.200 -91.000 PHE 299 1.000 -44.125 -13.455 49.091 -99.200 -91.000 TYR 301 0.840 -41.080 -9.036 47.683 -99.200 -91.000 TRP 313 1.040 -41.422 -3.701 68.374 -99.200 -91.000 TRP6 313 1.020 -39.115 -4.046 67.995 -99.200 -91.000 TYR 327 0.840 -44.999 -11.098 58.514 -99.200 -91.000 TYR 342 0.840 -51.752 -5.902 46.133 -99.200 -91.000 HIS 348 0.900 -42.676 -10.110 18.360 -99.200 -91.000 TYR 350 0.840 -40.660 -5.149 26.602 -99.200 -91.000