============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. PHE 11 1.000 33.339 -32.913 -9.502 -99.200 -91.000 PHE 14 1.000 38.845 -17.710 -12.341 -99.200 -91.000 HIS 15 0.900 32.497 -16.678 -16.624 -99.200 -91.000 TYR 21 0.840 29.263 -8.815 -12.250 -99.200 -91.000 PHE 27 1.000 34.453 -1.140 -10.847 -99.200 -91.000 TYR 30 0.840 38.259 -13.992 -9.204 -99.200 -91.000 TYR 34 0.840 36.262 -27.097 -3.616 -99.200 -91.000 TRP 47 1.040 26.199 -34.102 -6.854 -99.200 -91.000 TRP6 47 1.020 28.087 -33.423 -8.162 -99.200 -91.000 TRP 53 1.040 42.185 -17.072 -2.712 -99.200 -91.000 TRP6 53 1.020 44.143 -17.964 -1.750 -99.200 -91.000 HIS 58 0.900 41.558 -28.787 -4.805 -99.200 -91.000 PHE 61 1.000 35.738 -29.537 0.961 -99.200 -91.000 PHE 68 1.000 36.062 -36.021 10.531 -99.200 -91.000 TRP 87 1.040 39.237 -29.491 11.779 -99.200 -91.000 TRP6 87 1.020 38.679 -31.636 10.918 -99.200 -91.000 HIS 88 0.900 37.292 -23.779 4.829 -99.200 -91.000 TRP 115 1.040 15.267 -30.210 5.976 -99.200 -91.000 TRP6 115 1.020 15.756 -28.463 4.444 -99.200 -91.000 TYR 119 0.840 4.545 -24.082 7.406 -99.200 -91.000 TYR 126 0.840 16.675 -9.575 -2.956 -99.200 -91.000 PHE 129 1.000 19.486 -5.679 -11.533 -99.200 -91.000 TYR 132 0.840 28.522 1.629 -7.170 -99.200 -91.000 TRP 138 1.040 28.487 4.932 -12.517 -99.200 -91.000 TRP6 138 1.020 26.840 4.439 -10.907 -99.200 -91.000 PHE 154 1.000 14.003 -11.433 -11.600 -99.200 -91.000 PHE 166 1.000 22.612 11.572 -0.169 -99.200 -91.000 HIS 172 0.900 22.434 3.285 -9.647 -99.200 -91.000 HIS 178 0.900 12.118 9.190 -15.773 -99.200 -91.000 TYR 194 0.840 26.105 5.145 3.014 -99.200 -91.000 PHE 200 1.000 18.160 11.059 9.615 -99.200 -91.000 TRP 202 1.040 21.273 7.104 0.935 -99.200 -91.000 TRP6 202 1.020 20.701 6.916 -1.376 -99.200 -91.000 TYR 205 0.840 16.875 12.224 -2.193 -99.200 -91.000 PHE 206 1.000 15.892 5.471 2.737 -99.200 -91.000 TRP 209 1.040 12.165 7.748 -3.661 -99.200 -91.000 TRP6 209 1.020 14.515 7.498 -3.328 -99.200 -91.000 TRP 214 1.040 16.209 -5.141 2.511 -99.200 -91.000 TRP6 214 1.020 14.852 -6.915 1.744 -99.200 -91.000 PHE 221 1.000 25.600 -6.168 10.813 -99.200 -91.000 TYR 227 0.840 23.271 -2.353 11.477 -99.200 -91.000 TYR 250 0.840 21.902 -13.927 11.828 -99.200 -91.000 HIS 268 0.900 28.703 -15.648 3.462 -99.200 -91.000 PHE 275 1.000 19.684 -20.495 5.145 -99.200 -91.000 TYR 284 0.840 10.838 -20.489 17.283 -99.200 -91.000 PHE 285 1.000 15.313 -12.822 19.506 -99.200 -91.000 HIS 292 0.900 23.565 -11.461 1.083 -99.200 -91.000 TYR 294 0.840 28.263 -11.721 -5.548 -99.200 -91.000 TYR 302 0.840 20.469 -28.519 -0.069 -99.200 -91.000 PHE 305 1.000 14.946 -28.179 -2.149 -99.200 -91.000 TRP 313 1.040 6.244 -11.768 6.602 -99.200 -91.000 TRP6 313 1.020 5.464 -9.599 7.155 -99.200 -91.000 HIS 320 0.900 1.315 -15.911 3.080 -99.200 -91.000 TRP 326 1.040 17.737 -15.903 -9.592 -99.200 -91.000 TRP6 326 1.020 17.166 -18.096 -8.836 -99.200 -91.000 PHE 333 1.000 30.832 -21.000 -11.981 -99.200 -91.000 HIS 347 0.900 5.874 -21.549 -9.763 -99.200 -91.000 TYR 366 0.840 31.947 -22.012 -17.411 -99.200 -91.000 TRP 368 1.040 41.117 -22.455 -10.029 -99.200 -91.000 TRP6 368 1.020 42.207 -23.256 -8.080 -99.200 -91.000 TYR 373 0.840 47.560 -10.183 -6.950 -99.200 -91.000 HIS 376 0.900 42.998 -15.312 -11.507 -99.200 -91.000