============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 8 1.000 -5.194 53.380 10.858 -99.200 -91.000 TRP 18 1.040 -0.915 42.892 15.656 -99.200 -91.000 TRP6 18 1.020 -3.211 43.486 15.657 -99.200 -91.000 TRP 63 1.040 -10.018 31.942 27.893 -99.200 -91.000 TRP6 63 1.020 -8.933 33.845 28.807 -99.200 -91.000 TRP 78 1.040 -10.033 44.046 25.744 -99.200 -91.000 TRP6 78 1.020 -11.364 42.266 24.923 -99.200 -91.000 PHE 79 1.000 -14.288 48.781 32.776 -99.200 -91.000 HIS 85 0.900 -4.843 53.516 25.389 -99.200 -91.000 TYR 110 0.840 -24.239 49.682 25.253 -99.200 -91.000 PHE 114 1.000 -22.854 45.124 26.804 -99.200 -91.000 TRP 117 1.040 -22.903 41.677 33.392 -99.200 -91.000 TRP6 117 1.020 -24.045 42.221 35.401 -99.200 -91.000 PHE 118 1.000 -21.620 39.190 29.848 -99.200 -91.000 TYR 126 0.840 -23.297 31.679 41.703 -99.200 -91.000 HIS 133 0.900 -32.728 9.470 40.352 -99.200 -91.000 TRP 155 1.040 -23.315 48.582 8.806 -99.200 -91.000 TRP6 155 1.020 -24.712 50.416 9.314 -99.200 -91.000 PHE 157 1.000 -25.181 51.184 18.286 -99.200 -91.000 PHE 186 1.000 -9.294 51.034 9.585 -99.200 -91.000 PHE 205 1.000 -11.346 39.485 20.307 -99.200 -91.000 PHE 230 1.000 -25.715 38.227 11.256 -99.200 -91.000 PHE 261 1.000 -41.282 57.005 21.469 -99.200 -91.000 PHE 264 1.000 -51.126 53.973 25.170 -99.200 -91.000 PHE 281 1.000 -34.924 62.034 14.220 -99.200 -91.000 TYR 295 0.840 -48.193 52.537 15.553 -99.200 -91.000 TYR 301 0.840 -51.114 62.839 14.515 -99.200 -91.000 PHE 304 1.000 -44.901 62.880 19.875 -99.200 -91.000 HIS 316 0.900 -27.099 72.393 15.593 -99.200 -91.000 HIS 342 0.900 -38.723 52.107 4.634 -99.200 -91.000 HIS 360 0.900 -27.300 68.648 4.911 -99.200 -91.000 PHE 366 1.000 -23.015 64.310 5.980 -99.200 -91.000 PHE 367 1.000 -33.065 61.351 3.333 -99.200 -91.000 PHE 387 1.000 -30.262 49.788 11.021 -99.200 -91.000 PHE 394 1.000 -47.317 54.319 11.095 -99.200 -91.000 PHE 396 1.000 -52.629 55.268 19.984 -99.200 -91.000 PHE 411 1.000 -38.830 42.727 11.043 -99.200 -91.000 TYR 416 0.840 -37.986 52.300 22.458 -99.200 -91.000 PHE 417 1.000 -46.163 51.104 27.644 -99.200 -91.000 TYR 418 0.840 -42.179 58.337 26.715 -99.200 -91.000 PHE 426 1.000 -48.291 46.051 36.642 -99.200 -91.000 TYR 434 0.840 -42.492 44.861 19.483 -99.200 -91.000 PHE 451 1.000 -30.377 45.192 22.798 -99.200 -91.000 TYR 466 0.840 -32.062 35.800 32.804 -99.200 -91.000 TYR 471 0.840 -21.266 33.668 23.939 -99.200 -91.000 TYR 476 0.840 -28.552 14.280 35.557 -99.200 -91.000