============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 9 1.000 -3.849 35.526 -26.995 -99.200 -91.000 PHE 17 1.000 8.512 32.004 -18.490 -99.200 -91.000 PHE 20 1.000 6.694 32.426 -22.855 -99.200 -91.000 HIS 23 0.900 -5.729 31.725 -24.779 -99.200 -91.000 TYR 24 0.840 -5.641 35.916 -19.001 -99.200 -91.000 HIS 37 0.900 -2.294 23.256 -19.669 -99.200 -91.000 TRP 46 1.040 -13.085 26.256 -23.471 -99.200 -91.000 TRP6 46 1.020 -14.389 27.765 -22.203 -99.200 -91.000 TYR 49 0.840 -8.636 22.859 -15.075 -99.200 -91.000 TYR 50 0.840 -15.511 21.118 -21.935 -99.200 -91.000 PHE 56 1.000 -14.387 25.634 -9.188 -99.200 -91.000 TYR 61 0.840 -14.835 30.908 -5.275 -99.200 -91.000 PHE 71 1.000 1.758 21.741 -22.464 -99.200 -91.000 HIS 104 0.900 -8.749 30.560 -2.867 -99.200 -91.000 PHE 118 1.000 1.977 30.904 -7.119 -99.200 -91.000 TYR 122 0.840 6.876 32.490 -6.893 -99.200 -91.000 PHE 142 1.000 1.807 -0.249 -2.745 -99.200 -91.000 PHE 154 1.000 7.832 11.478 -22.294 -99.200 -91.000 TYR 157 0.840 3.905 16.022 -25.740 -99.200 -91.000 TYR 162 0.840 -8.993 10.661 -35.189 -99.200 -91.000 PHE 172 1.000 -6.503 12.378 -19.851 -99.200 -91.000 TYR 174 0.840 -13.702 2.706 -14.806 -99.200 -91.000 TRP 188 1.040 -6.042 14.873 -35.840 -99.200 -91.000 TRP6 188 1.020 -3.857 14.094 -35.367 -99.200 -91.000 HIS 197 0.900 3.107 25.331 -28.158 -99.200 -91.000 PHE 201 1.000 6.126 17.397 -22.749 -99.200 -91.000 TRP 213 1.040 9.093 17.407 -13.932 -99.200 -91.000 TRP6 213 1.020 6.842 17.745 -14.552 -99.200 -91.000 PHE 227 1.000 -11.046 18.237 -1.683 -99.200 -91.000 TRP 230 1.040 -4.208 9.782 -7.649 -99.200 -91.000 TRP6 230 1.020 -2.563 11.290 -6.892 -99.200 -91.000 PHE 236 1.000 -2.468 8.957 -18.780 -99.200 -91.000 HIS 241 0.900 3.715 9.391 -6.510 -99.200 -91.000 TRP 247 1.040 0.484 9.034 5.479 -99.200 -91.000 TRP6 247 1.020 0.032 8.772 7.801 -99.200 -91.000 HIS 255 0.900 -14.057 12.885 -2.288 -99.200 -91.000 PHE 257 1.000 -13.699 12.781 -7.487 -99.200 -91.000 HIS 262 0.900 -3.423 12.013 -15.321 -99.200 -91.000 TRP 263 1.040 -9.938 16.164 -18.173 -99.200 -91.000 TRP6 263 1.020 -10.865 16.055 -20.356 -99.200 -91.000 TRP 266 1.040 -14.340 16.518 -19.715 -99.200 -91.000 TRP6 266 1.020 -14.624 14.388 -20.707 -99.200 -91.000 HIS 268 0.900 -16.374 10.315 -11.056 -99.200 -91.000 PHE 272 1.000 -12.385 19.314 -9.396 -99.200 -91.000 PHE 279 1.000 -9.862 22.972 0.466 -99.200 -91.000 HIS 282 0.900 -18.965 26.290 3.504 -99.200 -91.000