============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 4 1.000 19.382 -24.759 26.031 -99.200 -91.000 HIS 5 0.900 22.042 -31.306 22.980 -99.200 -91.000 TRP 6 1.040 26.099 -25.749 28.070 -99.200 -91.000 TRP6 6 1.020 27.970 -24.504 27.329 -99.200 -91.000 HIS 28 0.900 36.989 -30.891 18.218 -99.200 -91.000 TYR 30 0.840 46.014 -30.569 11.830 -99.200 -91.000 PHE 43 1.000 49.157 -13.938 19.853 -99.200 -91.000 HIS 45 0.900 58.764 -17.314 22.472 -99.200 -91.000 PHE 53 1.000 50.969 -23.587 4.989 -99.200 -91.000 TYR 70 0.840 42.150 -30.188 -12.098 -99.200 -91.000 TYR 77 0.840 31.684 -22.726 -2.112 -99.200 -91.000 TYR 80 0.840 36.880 -22.561 2.547 -99.200 -91.000 TYR 94 0.840 48.236 -22.371 14.327 -99.200 -91.000 PHE 110 1.000 38.287 -25.800 -10.253 -99.200 -91.000 PHE 112 1.000 39.416 -16.372 -12.046 -99.200 -91.000 TYR 121 0.840 52.117 -23.728 -10.746 -99.200 -91.000 TRP 130 1.040 55.673 -26.937 -4.857 -99.200 -91.000 TRP6 130 1.020 55.150 -26.935 -7.154 -99.200 -91.000 PHE 134 1.000 44.837 -12.704 -3.531 -99.200 -91.000 TYR 153 0.840 53.299 -11.853 -19.896 -99.200 -91.000 TRP 161 1.040 50.834 -4.959 6.238 -99.200 -91.000 TRP6 161 1.020 51.757 -5.707 8.273 -99.200 -91.000 PHE 171 1.000 56.340 -16.354 -3.667 -99.200 -91.000 TRP 174 1.040 45.742 -11.083 -8.010 -99.200 -91.000 TRP6 174 1.020 44.505 -12.163 -9.698 -99.200 -91.000 PHE 188 1.000 51.323 -11.224 -14.893 -99.200 -91.000 HIS 203 0.900 60.148 -11.592 11.866 -99.200 -91.000 PHE 222 1.000 61.116 -14.840 -18.230 -99.200 -91.000 HIS 231 0.900 41.205 -19.852 -19.660 -99.200 -91.000 PHE 239 1.000 37.117 -6.470 -6.403 -99.200 -91.000 TYR 247 0.840 31.112 -20.203 2.988 -99.200 -91.000 TRP 251 1.040 30.865 -21.437 7.559 -99.200 -91.000 TRP6 251 1.020 29.682 -23.022 8.844 -99.200 -91.000 TRP 261 1.040 29.269 -18.789 25.416 -99.200 -91.000 TRP6 261 1.020 28.071 -20.293 24.052 -99.200 -91.000 HIS 262 0.900 32.486 -23.212 23.952 -99.200 -91.000 TYR 267 0.840 37.946 -15.395 35.225 -99.200 -91.000 PHE 274 1.000 31.476 -8.479 46.636 -99.200 -91.000 PHE 350 1.000 44.193 -12.810 31.484 -99.200 -91.000 HIS 355 0.900 40.681 -17.453 20.200 -99.200 -91.000 TYR 365 0.840 44.968 -8.800 6.632 -99.200 -91.000 HIS 369 0.900 33.753 4.163 5.542 -99.200 -91.000 HIS 372 0.900 32.195 -6.695 3.482 -99.200 -91.000 PHE 386 1.000 30.573 1.383 -1.806 -99.200 -91.000 PHE 387 1.000 33.032 6.515 -5.825 -99.200 -91.000