============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 37 rings ring int. center anis. iso. PHE 18 1.000 48.566 21.074 -8.302 -99.200 -91.000 HIS 22 0.900 33.261 20.648 -6.293 -99.200 -91.000 HIS 24 0.900 32.128 24.620 -2.562 -99.200 -91.000 PHE 32 1.000 23.913 31.537 7.672 -99.200 -91.000 TRP 36 1.040 23.821 34.224 12.867 -99.200 -91.000 TRP6 36 1.020 22.523 32.234 13.005 -99.200 -91.000 PHE 39 1.000 26.876 28.880 11.448 -99.200 -91.000 PHE 40 1.000 29.905 31.398 7.982 -99.200 -91.000 HIS 56 0.900 49.578 24.209 4.274 -99.200 -91.000 PHE 71 1.000 20.774 33.419 -5.324 -99.200 -91.000 HIS 90 0.900 45.866 33.684 -10.877 -99.200 -91.000 TRP 98 1.040 25.034 22.397 -3.780 -99.200 -91.000 TRP6 98 1.020 24.343 22.957 -1.585 -99.200 -91.000 PHE 99 1.000 22.464 19.481 -2.371 -99.200 -91.000 PHE 116 1.000 21.235 34.050 -11.415 -99.200 -91.000 PHE 117 1.000 22.034 28.994 -14.484 -99.200 -91.000 HIS 123 0.900 25.708 43.179 -15.344 -99.200 -91.000 PHE 145 1.000 14.928 25.144 -10.452 -99.200 -91.000 HIS 167 0.900 26.382 17.381 -4.860 -99.200 -91.000 PHE 182 1.000 25.056 18.712 -18.294 -99.200 -91.000 HIS 196 0.900 30.803 16.386 -5.325 -99.200 -91.000 TYR 205 0.840 28.696 7.053 -12.703 -99.200 -91.000 TYR 214 0.840 29.635 13.664 -20.699 -99.200 -91.000 TYR 223 0.840 34.500 15.846 1.311 -99.200 -91.000 PHE 238 1.000 33.057 14.871 6.282 -99.200 -91.000 TRP 243 1.040 44.721 9.726 2.388 -99.200 -91.000 TRP6 243 1.020 46.530 9.602 0.823 -99.200 -91.000 TYR 258 0.840 38.893 6.221 -20.526 -99.200 -91.000 HIS 266 0.900 42.314 19.626 -1.966 -99.200 -91.000 TRP 268 1.040 39.338 21.799 3.401 -99.200 -91.000 TRP6 268 1.020 38.804 19.619 4.247 -99.200 -91.000 PHE 270 1.000 40.089 27.638 3.102 -99.200 -91.000 PHE 272 1.000 29.795 22.144 4.911 -99.200 -91.000 TYR 275 0.840 26.312 17.773 6.947 -99.200 -91.000 PHE 293 1.000 44.736 14.580 1.607 -99.200 -91.000 PHE 301 1.000 48.209 6.379 -2.975 -99.200 -91.000 PHE 323 1.000 35.793 21.677 -16.820 -99.200 -91.000