============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 3 0.840 -12.526 69.898 0.344 -99.200 -91.000 TRP 20 1.040 -28.302 59.848 -21.796 -99.200 -91.000 TRP6 20 1.020 -27.321 58.116 -23.082 -99.200 -91.000 TRP 35 1.040 -17.947 65.374 -29.153 -99.200 -91.000 TRP6 35 1.020 -17.978 64.850 -26.849 -99.200 -91.000 TRP 43 1.040 -18.568 73.845 -16.555 -99.200 -91.000 TRP6 43 1.020 -18.552 72.212 -14.862 -99.200 -91.000 HIS 44 0.900 -19.683 77.960 -18.479 -99.200 -91.000 TRP 46 1.040 -22.442 70.017 -16.123 -99.200 -91.000 TRP6 46 1.020 -21.356 68.546 -14.619 -99.200 -91.000 PHE 57 1.000 -10.704 69.626 -5.918 -99.200 -91.000 PHE 113 1.000 0.932 65.386 -20.593 -99.200 -91.000 PHE 134 1.000 3.745 49.112 -17.826 -99.200 -91.000 PHE 145 1.000 0.677 56.525 -1.807 -99.200 -91.000 HIS 146 0.900 1.798 57.516 -9.935 -99.200 -91.000 PHE 151 1.000 7.540 62.903 -18.037 -99.200 -91.000 HIS 152 0.900 5.257 67.371 -20.082 -99.200 -91.000 HIS 154 0.900 4.024 73.455 -19.844 -99.200 -91.000 PHE 158 1.000 -7.533 70.805 -10.370 -99.200 -91.000 TRP 195 1.040 11.336 72.911 1.430 -99.200 -91.000 TRP6 195 1.020 9.957 74.056 -0.107 -99.200 -91.000 PHE 199 1.000 14.921 64.769 -3.365 -99.200 -91.000 PHE 207 1.000 5.656 61.389 -22.124 -99.200 -91.000 HIS 253 0.900 5.910 60.605 8.075 -99.200 -91.000 PHE 254 1.000 3.676 61.226 -0.343 -99.200 -91.000 HIS 261 0.900 -10.299 58.364 -2.468 -99.200 -91.000 HIS 278 0.900 -2.164 59.422 -9.324 -99.200 -91.000 PHE 283 1.000 -7.195 45.327 -9.773 -99.200 -91.000 TYR 287 0.840 -6.359 39.975 -16.249 -99.200 -91.000 TRP 293 1.040 -13.922 50.986 -18.734 -99.200 -91.000 TRP6 293 1.020 -15.552 50.267 -20.280 -99.200 -91.000 PHE 298 1.000 -3.478 62.705 -17.587 -99.200 -91.000 TYR 315 0.840 -8.603 71.313 -26.569 -99.200 -91.000