============================================================================= 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 22.155 -21.785 -27.107 -99.200 -91.000 TYR 7 0.840 10.181 -13.096 -32.831 -99.200 -91.000 PHE 8 1.000 9.240 -12.710 -24.350 -99.200 -91.000 TYR 9 0.840 3.825 -10.817 -31.568 -99.200 -91.000 PHE 22 1.000 2.090 -5.955 -32.248 -99.200 -91.000 TYR 27 0.840 14.260 -10.485 -24.799 -99.200 -91.000 PHE 33 1.000 16.047 -11.870 -32.515 -99.200 -91.000 PHE 36 1.000 6.008 -2.567 -35.883 -99.200 -91.000 TRP 51 1.040 23.594 -11.487 -32.228 -99.200 -91.000 TRP6 51 1.020 21.401 -12.215 -32.687 -99.200 -91.000 TYR 59 0.840 15.426 -10.761 -40.197 -99.200 -91.000 TRP 60 1.040 16.757 -5.575 -41.331 -99.200 -91.000 TRP6 60 1.020 16.519 -5.948 -38.997 -99.200 -91.000 PHE 67 1.000 7.330 -8.081 -35.571 -99.200 -91.000 TYR 74 0.840 -2.054 -9.450 -31.245 -99.200 -91.000 TYR 84 0.840 -14.614 -12.719 -27.815 -99.200 -91.000 TYR 85 0.840 -12.971 -11.881 -20.704 -99.200 -91.000 HIS 93 0.900 -10.015 -3.872 -20.516 -99.200 -91.000 TYR 99 0.840 5.486 -15.973 -31.797 -99.200 -91.000 HIS 113 0.900 7.444 -23.237 -24.507 -99.200 -91.000 TYR 118 0.840 -8.850 -8.893 -22.007 -99.200 -91.000 TYR 123 0.840 -8.738 -14.976 -24.332 -99.200 -91.000 TRP 133 1.040 -5.917 -23.879 -30.450 -99.200 -91.000 TRP6 133 1.020 -4.064 -22.412 -30.532 -99.200 -91.000 TRP 147 1.040 -6.951 -17.816 -32.826 -99.200 -91.000 TRP6 147 1.020 -5.250 -17.615 -31.199 -99.200 -91.000 TYR 159 0.840 7.387 -19.412 -36.211 -99.200 -91.000 TRP 167 1.040 14.542 -17.728 -40.433 -99.200 -91.000 TRP6 167 1.020 15.842 -15.977 -41.359 -99.200 -91.000 TYR 171 0.840 17.606 -15.037 -35.807 -99.200 -91.000 HIS 188 0.900 32.051 -8.926 -3.900 -99.200 -91.000 HIS 191 0.900 31.176 -9.355 9.087 -99.200 -91.000 HIS 192 0.900 28.400 -4.233 4.526 -99.200 -91.000 HIS 197 0.900 24.958 -8.968 21.293 -99.200 -91.000 TRP 204 1.040 27.690 -8.297 -3.197 -99.200 -91.000 TRP6 204 1.020 26.314 -6.833 -4.439 -99.200 -91.000 PHE 208 1.000 24.790 -13.737 -12.998 -99.200 -91.000 TYR 209 0.840 24.100 -14.200 -22.220 -99.200 -91.000 TRP 217 1.040 24.569 -16.708 1.958 -99.200 -91.000 TRP6 217 1.020 26.839 -16.694 2.593 -99.200 -91.000 PHE 241 1.000 20.841 -11.033 -17.478 -99.200 -91.000 TRP 244 1.040 22.238 -8.220 -3.370 -99.200 -91.000 TRP6 244 1.020 20.825 -8.501 -1.477 -99.200 -91.000 TYR 257 0.840 25.601 -18.983 8.681 -99.200 -91.000 HIS 260 0.900 27.643 -24.421 -1.022 -99.200 -91.000 HIS 263 0.900 26.567 -18.392 -15.323 -99.200 -91.000 TRP 274 1.040 33.923 -11.767 5.980 -99.200 -91.000 TRP6 274 1.020 34.317 -11.658 8.312 -99.200 -91.000