============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 84 rings ring int. center anis. iso. HIS 14 0.900 -25.279 -34.089 -23.167 -99.200 -91.000 TRP 33 1.040 -27.988 -37.950 -15.345 -99.200 -91.000 TRP6 33 1.020 -28.482 -37.690 -13.041 -99.200 -91.000 PHE 34 1.000 -28.326 -46.033 -18.130 -99.200 -91.000 HIS 40 0.900 -28.626 -42.646 -6.299 -99.200 -91.000 PHE 41 1.000 -36.681 -46.708 -11.832 -99.200 -91.000 HIS 51 0.900 -52.403 -52.352 11.265 -99.200 -91.000 TYR 58 0.840 -46.205 -34.409 10.084 -99.200 -91.000 PHE 61 1.000 -53.959 -34.539 24.052 -99.200 -91.000 HIS 65 0.900 -62.179 -32.462 30.469 -99.200 -91.000 TYR 70 0.840 -56.954 -40.494 38.609 -99.200 -91.000 PHE 76 1.000 -52.123 -37.380 28.811 -99.200 -91.000 PHE 86 1.000 -47.200 -39.253 10.595 -99.200 -91.000 PHE 89 1.000 -56.226 -41.758 11.143 -99.200 -91.000 PHE 108 1.000 -57.560 -43.218 15.919 -99.200 -91.000 PHE 112 1.000 -50.488 -38.478 21.302 -99.200 -91.000 TYR 113 0.840 -43.425 -35.764 16.486 -99.200 -91.000 TRP 119 1.040 -47.796 -42.403 24.677 -99.200 -91.000 TRP6 119 1.020 -49.818 -41.248 25.111 -99.200 -91.000 PHE 129 1.000 -55.405 -58.246 16.840 -99.200 -91.000 PHE 130 1.000 -59.559 -60.685 14.372 -99.200 -91.000 PHE 137 1.000 -49.875 -59.735 14.737 -99.200 -91.000 HIS 142 0.900 -47.535 -67.042 8.393 -99.200 -91.000 TRP 159 1.040 -64.541 -67.181 7.821 -99.200 -91.000 TRP6 159 1.020 -65.673 -66.336 9.719 -99.200 -91.000 PHE 161 1.000 -55.385 -68.093 13.608 -99.200 -91.000 TRP 162 1.040 -60.430 -64.828 12.395 -99.200 -91.000 TRP6 162 1.020 -61.721 -63.550 10.884 -99.200 -91.000 HIS 170 0.900 -65.650 -58.261 22.512 -99.200 -91.000 TYR 185 0.840 -57.809 -44.419 6.818 -99.200 -91.000 HIS 187 0.900 -66.983 -39.360 8.619 -99.200 -91.000 HIS 189 0.900 -65.969 -43.764 18.052 -99.200 -91.000 PHE 191 1.000 -62.168 -47.956 20.759 -99.200 -91.000 HIS 194 0.900 -52.282 -54.438 23.687 -99.200 -91.000 PHE 196 1.000 -50.903 -49.414 26.199 -99.200 -91.000 PHE 198 1.000 -52.821 -42.371 32.331 -99.200 -91.000 TYR 206 0.840 -54.135 -44.326 40.115 -99.200 -91.000 TRP 207 1.040 -53.588 -52.447 36.676 -99.200 -91.000 TRP6 207 1.020 -51.359 -52.772 35.917 -99.200 -91.000 PHE 210 1.000 -53.605 -44.392 27.087 -99.200 -91.000 HIS 211 0.900 -62.124 -46.298 25.869 -99.200 -91.000 PHE 212 1.000 -56.637 -41.587 21.341 -99.200 -91.000 HIS 237 0.900 -61.691 -45.437 3.522 -99.200 -91.000 PHE 250 1.000 -57.333 -27.874 9.388 -99.200 -91.000 TRP 253 1.040 -60.689 -39.519 15.988 -99.200 -91.000 TRP6 253 1.020 -59.716 -38.607 14.030 -99.200 -91.000 TYR 270 0.840 -64.090 -56.795 34.220 -99.200 -91.000 PHE 273 1.000 -53.621 -56.961 34.055 -99.200 -91.000 TRP 279 1.040 -60.501 -52.926 31.872 -99.200 -91.000 TRP6 279 1.020 -59.174 -51.187 32.768 -99.200 -91.000 HIS 281 0.900 -67.514 -47.713 28.047 -99.200 -91.000 TYR 284 0.840 -62.809 -50.170 36.822 -99.200 -91.000 PHE 292 1.000 -56.121 -37.365 17.521 -99.200 -91.000 TYR 301 0.840 -47.722 -42.377 1.694 -99.200 -91.000 PHE 302 1.000 -39.326 -43.870 0.916 -99.200 -91.000 PHE 310 1.000 -47.056 -44.162 14.052 -99.200 -91.000 PHE 321 1.000 -43.934 -50.742 28.277 -99.200 -91.000 PHE 332 1.000 -38.328 -59.588 19.362 -99.200 -91.000 TYR 334 0.840 -45.724 -52.942 16.795 -99.200 -91.000 TYR 340 0.840 -36.181 -57.013 6.934 -99.200 -91.000 HIS 346 0.900 -36.009 -47.287 13.225 -99.200 -91.000 HIS 348 0.900 -30.039 -40.704 14.215 -99.200 -91.000 HIS 359 0.900 -25.707 -37.400 25.418 -99.200 -91.000 TYR 361 0.840 -24.196 -46.651 25.000 -99.200 -91.000 HIS 362 0.900 -29.155 -46.913 21.348 -99.200 -91.000 PHE 373 1.000 -24.693 -39.689 20.538 -99.200 -91.000 TYR 379 0.840 -15.211 -45.794 28.978 -99.200 -91.000 TRP 387 1.040 -22.340 -42.325 26.785 -99.200 -91.000 TRP6 387 1.020 -23.543 -41.203 25.069 -99.200 -91.000 PHE 393 1.000 -37.337 -38.291 34.483 -99.200 -91.000 HIS 406 0.900 -43.773 -71.826 27.731 -99.200 -91.000 TRP 407 1.040 -48.194 -69.701 34.664 -99.200 -91.000 TRP6 407 1.020 -48.930 -71.180 36.363 -99.200 -91.000 HIS 409 0.900 -55.490 -68.503 25.701 -99.200 -91.000 TYR 415 0.840 -62.703 -69.623 25.253 -99.200 -91.000 PHE 416 1.000 -68.091 -69.344 23.472 -99.200 -91.000 PHE 423 1.000 -77.285 -61.133 18.451 -99.200 -91.000 PHE 435 1.000 -78.436 -62.459 12.722 -99.200 -91.000 HIS 453 0.900 -68.357 -67.298 13.328 -99.200 -91.000 HIS 456 0.900 -66.574 -71.384 18.743 -99.200 -91.000 TYR 458 0.840 -77.814 -71.940 20.435 -99.200 -91.000 TYR 464 0.840 -73.241 -63.515 16.715 -99.200 -91.000 PHE 474 1.000 -74.735 -74.621 8.643 -99.200 -91.000 TYR 479 0.840 -77.482 -73.453 14.775 -99.200 -91.000