============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. HIS 4 0.900 19.779 -31.574 0.935 -99.200 -91.000 TRP 7 1.040 14.467 -28.713 -7.520 -99.200 -91.000 TRP6 7 1.020 15.181 -29.683 -9.551 -99.200 -91.000 TRP 26 1.040 -1.480 -12.161 -6.146 -99.200 -91.000 TRP6 26 1.020 -1.467 -11.760 -8.474 -99.200 -91.000 PHE 28 1.000 7.395 -10.347 -6.487 -99.200 -91.000 HIS 61 0.900 -8.892 -9.496 -6.418 -99.200 -91.000 TYR 67 0.840 -7.135 -18.853 -3.622 -99.200 -91.000 PHE 68 1.000 -0.496 -20.414 -4.310 -99.200 -91.000 TYR 72 0.840 0.367 -22.424 -10.864 -99.200 -91.000 TYR 74 0.840 -2.269 -13.040 -17.058 -99.200 -91.000 TYR 87 0.840 4.956 -5.242 -17.751 -99.200 -91.000 TYR 89 0.840 7.230 -5.678 -7.840 -99.200 -91.000 PHE 92 1.000 1.520 1.752 -5.211 -99.200 -91.000 PHE 139 1.000 6.995 -17.210 7.789 -99.200 -91.000 HIS 141 0.900 9.315 -10.464 14.957 -99.200 -91.000 TYR 142 0.840 13.743 -18.723 9.709 -99.200 -91.000 PHE 147 1.000 9.008 -20.494 12.340 -99.200 -91.000 HIS 157 0.900 3.869 -14.191 1.554 -99.200 -91.000 TYR 164 0.840 13.148 -33.679 -0.090 -99.200 -91.000 TYR 168 0.840 16.444 -28.911 5.927 -99.200 -91.000 TRP 169 1.040 8.321 -28.932 3.925 -99.200 -91.000 TRP6 169 1.020 8.409 -30.372 2.049 -99.200 -91.000 TRP 175 1.040 8.132 -11.395 2.588 -99.200 -91.000 TRP6 175 1.020 7.463 -12.410 4.609 -99.200 -91.000 HIS 178 0.900 19.743 -7.613 2.982 -99.200 -91.000 TRP 179 1.040 12.174 -12.721 6.749 -99.200 -91.000 TRP6 179 1.020 11.731 -14.887 5.916 -99.200 -91.000 TYR 184 0.840 16.766 -19.212 -0.515 -99.200 -91.000 PHE 203 1.000 -3.067 -24.879 -6.681 -99.200 -91.000 TYR 204 0.840 3.177 -30.436 -9.810 -99.200 -91.000