============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. HIS 3 0.900 3.379 -36.844 15.990 -99.200 -91.000 TYR 7 0.840 7.482 -35.249 0.802 -99.200 -91.000 PHE 8 1.000 3.525 -27.685 2.761 -99.200 -91.000 TYR 9 0.840 5.827 -31.990 -5.081 -99.200 -91.000 PHE 22 1.000 8.901 -29.707 -8.504 -99.200 -91.000 TYR 27 0.840 7.674 -27.865 6.131 -99.200 -91.000 PHE 33 1.000 11.002 -35.086 5.874 -99.200 -91.000 PHE 36 1.000 15.074 -31.223 -7.095 -99.200 -91.000 TRP 51 1.040 14.129 -35.583 12.427 -99.200 -91.000 TRP6 51 1.020 12.831 -36.049 10.502 -99.200 -91.000 TYR 59 0.840 14.806 -40.690 2.113 -99.200 -91.000 TRP 60 1.040 19.737 -38.888 1.289 -99.200 -91.000 TRP6 60 1.020 18.419 -37.082 2.054 -99.200 -91.000 PHE 67 1.000 11.237 -34.147 -4.457 -99.200 -91.000 TYR 74 0.840 4.279 -30.772 -10.766 -99.200 -91.000 TYR 84 0.840 -6.009 -26.762 -18.994 -99.200 -91.000 TYR 85 0.840 -7.573 -20.890 -15.631 -99.200 -91.000 HIS 93 0.900 0.286 -16.937 -15.270 -99.200 -91.000 TYR 99 0.840 2.672 -35.395 -2.209 -99.200 -91.000 HIS 113 0.900 -5.126 -33.574 4.387 -99.200 -91.000 TYR 118 0.840 -2.444 -21.325 -13.235 -99.200 -91.000 TYR 123 0.840 -6.600 -26.195 -11.990 -99.200 -91.000 TRP 133 1.040 -9.380 -36.348 -8.893 -99.200 -91.000 TRP6 133 1.020 -7.343 -35.892 -7.769 -99.200 -91.000 TRP 147 1.040 -4.448 -34.897 -12.852 -99.200 -91.000 TRP6 147 1.020 -4.233 -33.677 -10.846 -99.200 -91.000 TYR 159 0.840 2.723 -40.922 -0.872 -99.200 -91.000 TRP 167 1.040 9.211 -44.285 3.338 -99.200 -91.000 TRP6 167 1.020 11.521 -44.291 3.832 -99.200 -91.000 TYR 171 0.840 10.560 -39.694 6.926 -99.200 -91.000 HIS 188 0.900 4.857 -12.881 29.820 -99.200 -91.000 HIS 191 0.900 -2.375 -2.193 32.846 -99.200 -91.000 HIS 192 0.900 1.245 -3.237 26.247 -99.200 -91.000 HIS 197 0.900 -11.746 7.421 32.775 -99.200 -91.000 TRP 204 1.040 3.315 -11.434 25.777 -99.200 -91.000 TRP6 204 1.020 4.940 -11.499 24.046 -99.200 -91.000 PHE 208 1.000 3.197 -21.944 21.400 -99.200 -91.000 TYR 209 0.840 7.586 -29.282 18.054 -99.200 -91.000 TRP 217 1.040 -7.170 -11.815 26.368 -99.200 -91.000 TRP6 217 1.020 -6.597 -11.657 28.658 -99.200 -91.000 PHE 241 1.000 6.315 -23.489 15.893 -99.200 -91.000 TRP 244 1.040 1.451 -10.846 20.950 -99.200 -91.000 TRP6 244 1.020 -0.228 -9.321 20.268 -99.200 -91.000 TYR 257 0.840 -12.207 -7.882 30.254 -99.200 -91.000 HIS 260 0.900 -10.348 -19.455 30.593 -99.200 -91.000 HIS 263 0.900 1.322 -26.641 23.287 -99.200 -91.000 TRP 274 1.040 -1.832 -6.558 35.310 -99.200 -91.000 TRP6 274 1.020 -2.928 -4.606 36.086 -99.200 -91.000