============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. PHE 19 1.000 40.293 56.972 88.064 -99.200 -91.000 TYR 28 0.840 28.287 45.680 86.478 -99.200 -91.000 HIS 34 0.900 20.300 33.412 87.479 -99.200 -91.000 PHE 41 1.000 19.075 26.425 98.279 -99.200 -91.000 HIS 56 0.900 23.098 30.858 88.813 -99.200 -91.000 TYR 81 0.840 26.511 36.355 110.325 -99.200 -91.000 TRP 85 1.040 20.300 35.431 107.263 -99.200 -91.000 TRP6 85 1.020 19.264 33.452 108.078 -99.200 -91.000 PHE 89 1.000 16.879 31.926 96.507 -99.200 -91.000 PHE 95 1.000 15.189 37.816 92.613 -99.200 -91.000 PHE 97 1.000 11.768 46.634 99.644 -99.200 -91.000 TYR 101 0.840 12.849 50.673 95.717 -99.200 -91.000 HIS 111 0.900 17.620 49.839 92.600 -99.200 -91.000 TYR 115 0.840 20.269 40.814 86.259 -99.200 -91.000 HIS 116 0.900 19.139 41.222 95.326 -99.200 -91.000 TRP 136 1.040 31.849 61.407 98.264 -99.200 -91.000 TRP6 136 1.020 33.828 60.602 99.274 -99.200 -91.000 HIS 145 0.900 26.364 54.642 104.916 -99.200 -91.000 HIS 157 0.900 15.487 65.264 107.085 -99.200 -91.000 TRP 169 1.040 24.606 49.051 97.666 -99.200 -91.000 TRP6 169 1.020 26.813 48.412 98.207 -99.200 -91.000 PHE 171 1.000 18.105 41.645 103.111 -99.200 -91.000 PHE 175 1.000 21.094 47.911 89.500 -99.200 -91.000 HIS 195 0.900 45.701 51.878 108.098 -99.200 -91.000 TRP 198 1.040 42.470 47.963 96.059 -99.200 -91.000 TRP6 198 1.020 41.570 50.144 96.000 -99.200 -91.000 TYR 212 0.840 31.052 55.036 116.332 -99.200 -91.000 TRP 232 1.040 25.931 37.744 125.465 -99.200 -91.000 TRP6 232 1.020 25.997 35.676 126.606 -99.200 -91.000 TYR 241 0.840 35.239 44.714 112.916 -99.200 -91.000 PHE 245 1.000 34.082 50.313 117.319 -99.200 -91.000 TYR 282 0.840 28.001 29.675 132.624 -99.200 -91.000 PHE 284 1.000 22.901 31.600 130.311 -99.200 -91.000 TRP 285 1.040 16.197 29.587 127.239 -99.200 -91.000 TRP6 285 1.020 13.917 30.232 127.328 -99.200 -91.000 HIS 289 0.900 7.243 25.495 125.381 -99.200 -91.000 TRP 296 1.040 18.691 33.633 133.790 -99.200 -91.000 TRP6 296 1.020 16.629 34.561 134.475 -99.200 -91.000 PHE 299 1.000 27.092 34.678 131.661 -99.200 -91.000 PHE 316 1.000 28.013 44.397 120.541 -99.200 -91.000 HIS 318 0.900 26.238 38.999 119.176 -99.200 -91.000 PHE 324 1.000 16.884 40.591 125.990 -99.200 -91.000 TYR 329 0.840 20.680 37.194 137.955 -99.200 -91.000 TYR 346 0.840 11.255 36.037 115.454 -99.200 -91.000 HIS 348 0.900 15.444 39.115 122.632 -99.200 -91.000 TYR 350 0.840 12.429 41.595 129.864 -99.200 -91.000 TYR 354 0.840 16.214 39.435 138.575 -99.200 -91.000 TRP 356 1.040 9.535 46.867 138.817 -99.200 -91.000 TRP6 356 1.020 8.395 44.820 138.509 -99.200 -91.000 HIS 366 0.900 18.280 47.219 111.621 -99.200 -91.000 PHE 367 1.000 21.977 47.216 108.638 -99.200 -91.000 TYR 370 0.840 27.437 59.726 104.628 -99.200 -91.000 TYR 374 0.840 33.843 60.796 108.114 -99.200 -91.000 HIS 386 0.900 44.351 47.665 114.613 -99.200 -91.000 TYR 393 0.840 36.849 31.619 99.907 -99.200 -91.000 TYR 403 0.840 29.579 24.945 102.578 -99.200 -91.000 HIS 406 0.900 24.072 28.350 105.375 -99.200 -91.000 HIS 410 0.900 37.626 30.809 107.160 -99.200 -91.000 HIS 436 0.900 48.662 51.094 113.888 -99.200 -91.000 PHE 443 1.000 39.824 38.609 114.653 -99.200 -91.000