============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. TYR 2 0.840 -11.673 3.186 36.770 -99.200 -91.000 HIS 14 0.900 -22.718 -8.765 23.628 -99.200 -91.000 TYR 19 0.840 -21.436 -12.194 25.997 -99.200 -91.000 PHE 22 1.000 -18.728 -19.732 29.745 -99.200 -91.000 PHE 32 1.000 -19.412 -39.428 32.550 -99.200 -91.000 TRP 37 1.040 -29.148 -26.926 28.412 -99.200 -91.000 TRP6 37 1.020 -30.660 -26.627 26.649 -99.200 -91.000 TRP 50 1.040 -22.811 -36.357 20.225 -99.200 -91.000 TRP6 50 1.020 -21.473 -38.007 19.233 -99.200 -91.000 TYR 55 0.840 -10.137 -35.596 24.247 -99.200 -91.000 HIS 61 0.900 -12.287 -47.491 34.964 -99.200 -91.000 HIS 69 0.900 -16.557 -41.886 46.351 -99.200 -91.000 TYR 91 0.840 -3.166 -40.024 49.131 -99.200 -91.000 HIS 92 0.900 0.179 -33.379 46.524 -99.200 -91.000 HIS 103 0.900 4.820 -38.136 29.406 -99.200 -91.000 PHE 111 1.000 3.929 -26.701 37.384 -99.200 -91.000 TYR 115 0.840 -3.317 -20.789 31.084 -99.200 -91.000 PHE 129 1.000 18.093 -23.922 30.525 -99.200 -91.000 TYR 135 0.840 14.292 -20.744 17.518 -99.200 -91.000 HIS 141 0.900 -4.171 -24.182 25.463 -99.200 -91.000 PHE 158 1.000 7.591 -23.828 14.611 -99.200 -91.000 HIS 160 0.900 -0.240 -26.106 12.850 -99.200 -91.000 HIS 165 0.900 8.673 -19.278 9.361 -99.200 -91.000 PHE 183 1.000 7.256 -30.402 19.088 -99.200 -91.000 TYR 187 0.840 -0.173 -28.069 16.927 -99.200 -91.000 PHE 193 1.000 -1.932 -37.246 14.831 -99.200 -91.000 PHE 206 1.000 20.052 -25.322 12.862 -99.200 -91.000 TYR 211 0.840 7.284 -27.024 27.344 -99.200 -91.000 HIS 216 0.900 -6.434 -31.144 23.701 -99.200 -91.000 TYR 221 0.840 -3.575 -40.235 19.485 -99.200 -91.000 HIS 236 0.900 15.035 -41.940 21.829 -99.200 -91.000 PHE 241 1.000 7.329 -36.545 26.629 -99.200 -91.000 TYR 248 0.840 -3.649 -39.909 31.648 -99.200 -91.000 PHE 251 1.000 -8.600 -28.814 38.045 -99.200 -91.000 TYR 254 0.840 1.936 -34.806 32.877 -99.200 -91.000 TYR 268 0.840 16.260 -20.775 40.765 -99.200 -91.000 PHE 272 1.000 6.177 -26.975 42.595 -99.200 -91.000 PHE 274 1.000 5.899 -17.433 46.181 -99.200 -91.000 PHE 292 1.000 -8.621 -49.204 33.094 -99.200 -91.000 HIS 308 0.900 -17.121 -45.987 19.578 -99.200 -91.000 HIS 326 0.900 -5.437 -31.777 9.253 -99.200 -91.000 HIS 329 0.900 -8.264 -37.297 20.246 -99.200 -91.000 HIS 340 0.900 -24.960 -21.100 9.341 -99.200 -91.000 TYR 352 0.840 -32.629 -32.038 15.355 -99.200 -91.000 TYR 355 0.840 -22.582 -28.689 25.359 -99.200 -91.000 PHE 361 1.000 -9.382 -13.936 18.133 -99.200 -91.000 PHE 373 1.000 -20.105 -32.893 15.927 -99.200 -91.000 HIS 379 0.900 -19.976 -39.461 22.199 -99.200 -91.000 HIS 389 0.900 -30.684 -40.875 10.434 -99.200 -91.000 TRP 395 1.040 -25.869 -28.476 6.489 -99.200 -91.000 TRP6 395 1.020 -25.067 -28.379 8.721 -99.200 -91.000