============================================================================= 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. HIS 3 0.900 6.466 5.208 -6.631 -99.200 -91.000 HIS 13 0.900 -10.967 11.655 -13.075 -99.200 -91.000 HIS 21 0.900 -9.255 18.797 -21.780 -99.200 -91.000 HIS 32 0.900 -18.183 22.871 -28.339 -99.200 -91.000 TYR 44 0.840 -19.548 11.322 -26.477 -99.200 -91.000 PHE 52 1.000 -17.289 6.007 -28.476 -99.200 -91.000 HIS 61 0.900 3.789 11.712 -32.667 -99.200 -91.000 PHE 66 1.000 11.247 16.280 -41.275 -99.200 -91.000 TYR 82 0.840 -17.281 -1.993 -28.257 -99.200 -91.000 PHE 93 1.000 -13.282 6.043 -39.757 -99.200 -91.000 PHE 100 1.000 0.056 16.247 -34.745 -99.200 -91.000 TYR 108 0.840 -6.213 10.023 -38.201 -99.200 -91.000 TYR 147 0.840 -3.810 8.326 -46.522 -99.200 -91.000 PHE 151 1.000 -6.972 4.355 -49.427 -99.200 -91.000 HIS 175 0.900 -8.643 11.938 -45.498 -99.200 -91.000 TYR 177 0.840 -8.735 7.915 -54.521 -99.200 -91.000 PHE 184 1.000 -26.073 3.363 -48.843 -99.200 -91.000 PHE 195 1.000 -10.362 19.953 -51.152 -99.200 -91.000 HIS 219 0.900 -25.266 22.026 -56.479 -99.200 -91.000 HIS 221 0.900 -17.289 15.658 -54.427 -99.200 -91.000 HIS 229 0.900 -24.140 7.234 -52.060 -99.200 -91.000 TYR 230 0.840 -29.615 13.911 -46.625 -99.200 -91.000 PHE 239 1.000 -24.286 13.573 -36.221 -99.200 -91.000 TYR 241 0.840 -30.063 10.079 -46.093 -99.200 -91.000 TYR 248 0.840 -35.731 2.320 -44.909 -99.200 -91.000 TYR 260 0.840 -39.902 -0.811 -38.822 -99.200 -91.000 TYR 292 0.840 -46.301 9.557 -64.238 -99.200 -91.000 HIS 295 0.900 -39.833 12.099 -55.875 -99.200 -91.000 PHE 306 1.000 -38.095 7.075 -52.247 -99.200 -91.000 TYR 313 0.840 -25.213 11.893 -60.296 -99.200 -91.000 PHE 321 1.000 -32.044 1.528 -49.130 -99.200 -91.000 HIS 338 0.900 -33.638 16.177 -65.385 -99.200 -91.000 PHE 339 1.000 -31.888 14.964 -68.938 -99.200 -91.000 PHE 354 1.000 -31.328 1.953 -54.170 -99.200 -91.000 PHE 361 1.000 -24.717 -4.353 -47.229 -99.200 -91.000 PHE 374 1.000 -30.863 3.234 -73.134 -99.200 -91.000 TYR 382 0.840 -18.582 12.542 -79.351 -99.200 -91.000 TYR 394 0.840 -21.948 -7.483 -63.688 -99.200 -91.000 TYR 396 0.840 -33.719 -6.202 -62.564 -99.200 -91.000 TYR 412 0.840 -42.333 3.496 -76.331 -99.200 -91.000 TYR 416 0.840 -39.318 -5.126 -71.961 -99.200 -91.000 TRP 432 1.040 -49.955 0.503 -62.721 -99.200 -91.000 TRP6 432 1.020 -49.622 2.690 -61.874 -99.200 -91.000 PHE 448 1.000 -36.938 2.738 -88.777 -99.200 -91.000 TYR 450 0.840 -47.581 0.448 -91.353 -99.200 -91.000 TYR 457 0.840 -46.153 -0.011 -84.228 -99.200 -91.000 TYR 465 0.840 -54.368 -5.455 -72.525 -99.200 -91.000 TYR 472 0.840 -41.325 -11.313 -73.495 -99.200 -91.000 HIS 481 0.900 -56.959 -4.203 -58.024 -99.200 -91.000 TYR 485 0.840 -51.844 -8.191 -58.562 -99.200 -91.000 HIS 499 0.900 -13.121 -10.679 -59.673 -99.200 -91.000