============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TYR 2 0.840 32.379 -2.017 46.500 -99.200 -91.000 TYR 12 0.840 22.576 -5.317 20.407 -99.200 -91.000 TRP 37 1.040 10.014 -2.436 27.899 -99.200 -91.000 TRP6 37 1.020 7.932 -1.363 27.590 -99.200 -91.000 PHE 47 1.000 7.986 -5.323 23.804 -99.200 -91.000 TRP 59 1.040 12.504 8.111 27.834 -99.200 -91.000 TRP6 59 1.020 12.554 6.433 29.484 -99.200 -91.000 PHE 60 1.000 8.912 9.322 30.979 -99.200 -91.000 PHE 71 1.000 2.130 12.576 9.235 -99.200 -91.000 TRP 73 1.040 -0.322 5.083 3.020 -99.200 -91.000 TRP6 73 1.020 1.901 5.614 2.415 -99.200 -91.000 TYR 84 0.840 4.280 3.572 30.470 -99.200 -91.000 TYR 93 0.840 21.051 15.014 20.513 -99.200 -91.000 TYR 99 0.840 13.482 8.337 15.432 -99.200 -91.000 TYR 122 0.840 34.013 1.267 6.096 -99.200 -91.000 PHE 123 1.000 37.080 -4.229 12.866 -99.200 -91.000 TYR 136 0.840 36.271 -9.591 10.084 -99.200 -91.000 TYR 139 0.840 37.588 -11.611 20.793 -99.200 -91.000 PHE 140 1.000 33.082 -8.849 13.474 -99.200 -91.000 HIS 151 0.900 22.265 -17.218 8.258 -99.200 -91.000 TRP 156 1.040 7.862 -18.999 4.445 -99.200 -91.000 TRP6 156 1.020 8.352 -16.943 5.426 -99.200 -91.000 PHE 157 1.000 13.036 -13.244 -0.025 -99.200 -91.000 TRP 162 1.040 2.899 -12.948 5.436 -99.200 -91.000 TRP6 162 1.020 1.782 -11.180 6.550 -99.200 -91.000 TYR 163 0.840 10.253 -11.411 4.265 -99.200 -91.000 PHE 165 1.000 9.270 -6.171 2.315 -99.200 -91.000 PHE 182 1.000 17.906 -14.496 0.563 -99.200 -91.000 TYR 187 0.840 10.466 -12.357 14.238 -99.200 -91.000 PHE 189 1.000 14.693 -14.627 9.042 -99.200 -91.000 TYR 191 0.840 6.844 -17.348 16.748 -99.200 -91.000 TYR 211 0.840 5.691 2.118 18.023 -99.200 -91.000 HIS 215 0.900 3.940 -13.776 20.672 -99.200 -91.000 TYR 224 0.840 25.998 -11.615 24.156 -99.200 -91.000 HIS 240 0.900 17.140 1.947 40.402 -99.200 -91.000 TYR 253 0.840 35.980 5.202 38.350 -99.200 -91.000 TYR 276 0.840 37.214 -4.372 38.871 -99.200 -91.000 PHE 278 1.000 33.452 -3.315 32.899 -99.200 -91.000 TRP 310 1.040 26.832 10.648 17.031 -99.200 -91.000 TRP6 310 1.020 25.336 11.411 15.366 -99.200 -91.000 HIS 323 0.900 7.269 1.093 -13.812 -99.200 -91.000 TRP 325 1.040 4.463 -2.760 -14.705 -99.200 -91.000 TRP6 325 1.020 3.839 -0.699 -15.693 -99.200 -91.000 HIS 331 0.900 -2.087 -8.718 4.297 -99.200 -91.000 TRP 343 1.040 30.864 -0.278 2.141 -99.200 -91.000 TRP6 343 1.020 29.930 1.540 3.290 -99.200 -91.000 PHE 351 1.000 24.444 -4.028 3.742 -99.200 -91.000 TRP 364 1.040 0.868 0.005 -6.867 -99.200 -91.000 TRP6 364 1.020 -1.288 0.524 -6.095 -99.200 -91.000 TYR 368 0.840 14.566 1.091 -1.969 -99.200 -91.000 PHE 380 1.000 26.739 13.257 21.190 -99.200 -91.000 TYR 382 0.840 27.535 19.726 30.928 -99.200 -91.000 TRP 393 1.040 24.465 15.892 11.687 -99.200 -91.000 TRP6 393 1.020 26.301 14.679 10.862 -99.200 -91.000 PHE 409 1.000 18.063 3.446 -3.216 -99.200 -91.000 TYR 420 0.840 14.770 9.297 -5.920 -99.200 -91.000 TYR 422 0.840 10.565 13.966 -5.466 -99.200 -91.000 PHE 425 1.000 11.152 10.165 4.117 -99.200 -91.000 PHE 432 1.000 17.447 10.910 -1.983 -99.200 -91.000 PHE 436 1.000 16.741 8.124 9.238 -99.200 -91.000 TYR 438 0.840 15.344 4.287 12.382 -99.200 -91.000 HIS 439 0.900 21.784 1.656 11.526 -99.200 -91.000 TYR 453 0.840 42.600 -4.433 23.837 -99.200 -91.000 TYR 459 0.840 39.429 9.730 35.301 -99.200 -91.000 TYR 463 0.840 37.504 -1.165 32.530 -99.200 -91.000 PHE 479 1.000 21.865 -6.755 16.089 -99.200 -91.000