============================================================================= 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 22.118 -21.534 -27.116 -99.200 -91.000 TYR 7 0.840 10.216 -12.854 -32.862 -99.200 -91.000 PHE 8 1.000 9.360 -12.549 -24.408 -99.200 -91.000 TYR 9 0.840 3.959 -10.568 -31.541 -99.200 -91.000 PHE 22 1.000 2.178 -5.757 -32.152 -99.200 -91.000 TYR 27 0.840 14.355 -10.338 -24.786 -99.200 -91.000 PHE 33 1.000 16.111 -11.596 -32.537 -99.200 -91.000 PHE 36 1.000 6.023 -2.243 -35.730 -99.200 -91.000 TRP 51 1.040 23.623 -11.258 -32.169 -99.200 -91.000 TRP6 51 1.020 21.462 -12.037 -32.725 -99.200 -91.000 TYR 59 0.840 15.515 -10.300 -40.218 -99.200 -91.000 TRP 60 1.040 16.832 -5.145 -41.215 -99.200 -91.000 TRP6 60 1.020 16.596 -5.581 -38.895 -99.200 -91.000 PHE 67 1.000 7.432 -7.759 -35.548 -99.200 -91.000 TYR 74 0.840 -1.934 -9.324 -31.146 -99.200 -91.000 TYR 84 0.840 -14.569 -12.673 -27.632 -99.200 -91.000 TYR 85 0.840 -12.850 -11.770 -20.540 -99.200 -91.000 HIS 93 0.900 -10.023 -3.795 -20.331 -99.200 -91.000 TYR 99 0.840 5.538 -15.761 -31.861 -99.200 -91.000 HIS 113 0.900 7.502 -23.042 -24.644 -99.200 -91.000 TYR 118 0.840 -8.800 -8.730 -21.891 -99.200 -91.000 TYR 123 0.840 -8.650 -14.907 -24.225 -99.200 -91.000 TRP 133 1.040 -5.866 -23.839 -30.291 -99.200 -91.000 TRP6 133 1.020 -4.065 -22.318 -30.359 -99.200 -91.000 TRP 147 1.040 -7.000 -17.859 -32.730 -99.200 -91.000 TRP6 147 1.020 -5.364 -17.621 -31.039 -99.200 -91.000 TYR 159 0.840 7.374 -19.098 -36.349 -99.200 -91.000 TRP 167 1.040 14.464 -17.331 -40.403 -99.200 -91.000 TRP6 167 1.020 15.770 -15.568 -41.301 -99.200 -91.000 TYR 171 0.840 17.674 -14.745 -35.883 -99.200 -91.000 HIS 188 0.900 31.908 -9.001 -3.791 -99.200 -91.000 HIS 191 0.900 30.928 -9.649 9.334 -99.200 -91.000 HIS 192 0.900 28.597 -4.098 5.119 -99.200 -91.000 HIS 197 0.900 23.034 -12.682 18.716 -99.200 -91.000 TRP 204 1.040 27.597 -8.390 -2.988 -99.200 -91.000 TRP6 204 1.020 26.210 -6.805 -4.061 -99.200 -91.000 PHE 208 1.000 24.568 -13.710 -12.870 -99.200 -91.000 TYR 209 0.840 23.996 -14.089 -22.131 -99.200 -91.000 TRP 217 1.040 24.302 -16.798 2.138 -99.200 -91.000 TRP6 217 1.020 26.548 -16.852 2.843 -99.200 -91.000 PHE 241 1.000 20.804 -10.885 -17.442 -99.200 -91.000 TRP 244 1.040 22.026 -8.157 -3.189 -99.200 -91.000 TRP6 244 1.020 20.590 -8.402 -1.306 -99.200 -91.000 TYR 257 0.840 25.257 -19.010 8.935 -99.200 -91.000 HIS 260 0.900 27.379 -24.578 -0.962 -99.200 -91.000 HIS 263 0.900 26.298 -18.446 -15.196 -99.200 -91.000 TRP 274 1.040 33.732 -11.963 6.140 -99.200 -91.000 TRP6 274 1.020 34.084 -11.832 8.468 -99.200 -91.000