============================================================================= 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 5 0.900 -16.434 6.038 3.627 -99.200 -91.000 HIS 10 0.900 -30.190 -0.230 3.937 -99.200 -91.000 TYR 14 0.840 -20.950 -7.470 6.920 -99.200 -91.000 HIS 27 0.900 -24.960 1.378 17.998 -99.200 -91.000 PHE 28 1.000 -26.251 -1.980 24.372 -99.200 -91.000 HIS 35 0.900 -27.370 -19.713 11.905 -99.200 -91.000 PHE 38 1.000 -26.448 -19.041 17.167 -99.200 -91.000 HIS 44 0.900 -16.590 -3.990 25.216 -99.200 -91.000 HIS 61 0.900 -26.890 4.039 5.930 -99.200 -91.000 HIS 72 0.900 -36.036 -2.919 15.549 -99.200 -91.000 PHE 73 1.000 -34.159 -10.440 14.194 -99.200 -91.000 PHE 79 1.000 -24.907 -19.749 23.178 -99.200 -91.000 TYR 83 0.840 -14.791 -9.926 28.885 -99.200 -91.000 HIS 121 0.900 2.683 -3.932 10.859 -99.200 -91.000 TRP 130 1.040 -25.129 2.818 12.780 -99.200 -91.000 TRP6 130 1.020 -25.390 0.452 12.531 -99.200 -91.000 HIS 136 0.900 -15.093 17.744 21.860 -99.200 -91.000 PHE 153 1.000 2.054 1.340 16.731 -99.200 -91.000 PHE 154 1.000 1.492 0.663 23.489 -99.200 -91.000 HIS 158 0.900 -6.755 -12.733 23.727 -99.200 -91.000 PHE 163 1.000 -1.597 4.698 14.197 -99.200 -91.000 PHE 172 1.000 -15.026 5.883 24.481 -99.200 -91.000 PHE 191 1.000 -7.830 -3.237 24.759 -99.200 -91.000 TRP 194 1.040 -6.070 9.592 26.893 -99.200 -91.000 TRP6 194 1.020 -5.736 10.034 29.174 -99.200 -91.000 PHE 201 1.000 -1.478 4.956 23.673 -99.200 -91.000 PHE 204 1.000 -4.547 -2.503 21.846 -99.200 -91.000 PHE 205 1.000 -10.763 -3.456 15.551 -99.200 -91.000 TYR 211 0.840 -11.683 -15.937 20.747 -99.200 -91.000 TRP 214 1.040 -17.099 -20.915 22.345 -99.200 -91.000 TRP6 214 1.020 -17.822 -18.704 21.904 -99.200 -91.000