============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. HIS 5 0.900 5.081 2.714 -16.178 -99.200 -91.000 TYR 15 0.840 -14.857 16.009 -23.950 -99.200 -91.000 PHE 18 1.000 -10.183 8.614 -24.448 -99.200 -91.000 TYR 22 0.840 -19.089 10.467 -17.527 -99.200 -91.000 TYR 35 0.840 -22.613 -4.577 -6.695 -99.200 -91.000 TYR 38 0.840 -32.710 -2.501 -5.661 -99.200 -91.000 TYR 41 0.840 -22.334 -3.378 -10.394 -99.200 -91.000 TRP 50 1.040 -8.490 3.242 -2.562 -99.200 -91.000 TRP6 50 1.020 -6.318 3.755 -1.817 -99.200 -91.000 HIS 51 0.900 -8.149 -1.358 -2.803 -99.200 -91.000 TRP 56 1.040 3.388 5.637 -8.342 -99.200 -91.000 TRP6 56 1.020 3.642 7.737 -7.263 -99.200 -91.000 HIS 59 0.900 10.024 5.587 -1.672 -99.200 -91.000 TYR 66 0.840 1.876 3.799 -18.731 -99.200 -91.000 TYR 70 0.840 -8.765 -5.917 -10.276 -99.200 -91.000 PHE 72 1.000 -1.438 -9.109 -16.816 -99.200 -91.000 PHE 76 1.000 -10.160 -10.737 -10.841 -99.200 -91.000 PHE 88 1.000 -11.656 -7.419 -14.996 -99.200 -91.000 PHE 90 1.000 -20.812 -0.906 -14.179 -99.200 -91.000 HIS 95 0.900 -11.047 -3.227 -21.784 -99.200 -91.000 PHE 98 1.000 -17.586 2.280 -25.804 -99.200 -91.000 TRP 100 1.040 -12.085 2.504 -28.604 -99.200 -91.000 TRP6 100 1.020 -11.806 4.342 -27.167 -99.200 -91.000 PHE 107 1.000 -8.786 -2.114 -14.791 -99.200 -91.000 TRP 125 1.040 -9.558 9.552 -16.919 -99.200 -91.000 TRP6 125 1.020 -9.513 9.063 -19.234 -99.200 -91.000 TYR 152 0.840 -0.874 1.488 8.181 -99.200 -91.000 PHE 156 1.000 -0.887 2.886 2.259 -99.200 -91.000 PHE 157 1.000 -3.492 7.377 1.892 -99.200 -91.000 HIS 174 0.900 -13.056 4.547 3.537 -99.200 -91.000 HIS 180 0.900 -19.590 -4.779 0.716 -99.200 -91.000 TYR 186 0.840 -12.219 -3.795 9.590 -99.200 -91.000 TRP 190 1.040 -16.999 4.212 6.358 -99.200 -91.000 TRP6 190 1.020 -16.832 2.835 4.443 -99.200 -91.000 PHE 197 1.000 -17.455 12.413 -3.589 -99.200 -91.000 PHE 201 1.000 -14.704 9.457 6.453 -99.200 -91.000 TYR 202 0.840 -14.371 14.667 5.112 -99.200 -91.000 TRP 210 1.040 -18.353 8.035 15.529 -99.200 -91.000 TRP6 210 1.020 -19.318 6.766 13.786 -99.200 -91.000 TRP 222 1.040 -13.468 3.623 16.590 -99.200 -91.000 TRP6 222 1.020 -13.579 4.401 18.800 -99.200 -91.000 TYR 228 0.840 -25.217 6.425 9.789 -99.200 -91.000 TYR 235 0.840 -13.182 7.274 16.712 -99.200 -91.000 TYR 243 0.840 -4.239 12.406 9.300 -99.200 -91.000 TYR 250 0.840 -11.376 18.661 3.246 -99.200 -91.000 PHE 257 1.000 -15.168 15.667 0.321 -99.200 -91.000 PHE 258 1.000 -18.932 17.832 -4.032 -99.200 -91.000 PHE 261 1.000 -12.689 12.355 -3.912 -99.200 -91.000 PHE 265 1.000 -10.829 9.183 -7.543 -99.200 -91.000 PHE 275 1.000 -0.722 12.411 -18.014 -99.200 -91.000 PHE 283 1.000 -9.711 14.033 -23.225 -99.200 -91.000 PHE 285 1.000 -14.331 12.200 -20.033 -99.200 -91.000