============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 54 rings ring int. center anis. iso. PHE 2 1.000 -1.399 50.098 72.298 -99.200 -91.000 TYR 16 0.840 4.215 43.894 65.258 -99.200 -91.000 HIS 42 0.900 -1.231 44.880 51.401 -99.200 -91.000 PHE 54 1.000 8.768 42.529 42.826 -99.200 -91.000 TYR 65 0.840 19.307 38.097 36.044 -99.200 -91.000 PHE 85 1.000 6.253 53.551 36.512 -99.200 -91.000 TYR 95 0.840 16.165 51.717 37.473 -99.200 -91.000 TYR 133 0.840 8.423 29.741 23.693 -99.200 -91.000 TYR 141 0.840 1.235 47.866 27.914 -99.200 -91.000 TYR 171 0.840 -0.457 35.951 17.225 -99.200 -91.000 TRP 173 1.040 4.696 41.230 22.165 -99.200 -91.000 TRP6 173 1.020 5.545 41.970 24.232 -99.200 -91.000 PHE 175 1.000 7.505 45.209 20.334 -99.200 -91.000 TYR 187 0.840 14.015 48.103 18.602 -99.200 -91.000 TRP 193 1.040 3.285 35.011 13.750 -99.200 -91.000 TRP6 193 1.020 1.687 34.045 12.314 -99.200 -91.000 HIS 194 0.900 -1.926 38.426 13.683 -99.200 -91.000 PHE 197 1.000 9.014 46.781 16.251 -99.200 -91.000 HIS 210 0.900 18.387 39.924 11.442 -99.200 -91.000 PHE 211 1.000 10.316 43.164 11.093 -99.200 -91.000 HIS 224 0.900 12.522 59.181 13.647 -99.200 -91.000 PHE 225 1.000 14.328 51.221 13.234 -99.200 -91.000 TYR 230 0.840 28.146 49.000 16.763 -99.200 -91.000 PHE 236 1.000 22.659 43.921 6.448 -99.200 -91.000 TYR 245 0.840 12.919 29.342 12.973 -99.200 -91.000 TRP 247 1.040 9.463 25.623 13.512 -99.200 -91.000 TRP6 247 1.020 8.282 26.597 11.716 -99.200 -91.000 PHE 268 1.000 21.409 51.589 10.378 -99.200 -91.000 TYR 273 0.840 20.439 42.628 1.403 -99.200 -91.000 HIS 275 0.900 19.151 38.497 3.383 -99.200 -91.000 HIS 281 0.900 2.255 46.204 -0.203 -99.200 -91.000 TYR 289 0.840 24.055 62.089 5.971 -99.200 -91.000 PHE 304 1.000 8.917 46.149 -3.067 -99.200 -91.000 PHE 306 1.000 11.437 52.573 -1.581 -99.200 -91.000 TRP 310 1.040 16.318 61.532 1.337 -99.200 -91.000 TRP6 310 1.020 16.572 63.495 0.076 -99.200 -91.000 PHE 321 1.000 23.375 54.610 -2.661 -99.200 -91.000 TYR 325 0.840 21.515 44.179 -6.851 -99.200 -91.000 PHE 326 1.000 13.060 46.272 -7.840 -99.200 -91.000 HIS 335 0.900 1.216 43.729 -7.074 -99.200 -91.000 HIS 342 0.900 14.949 63.761 -5.117 -99.200 -91.000 PHE 365 1.000 5.154 40.167 -14.146 -99.200 -91.000 PHE 367 1.000 4.374 46.481 -13.202 -99.200 -91.000 TRP 378 1.040 24.314 52.317 -14.885 -99.200 -91.000 TRP6 378 1.020 26.356 51.381 -15.578 -99.200 -91.000 PHE 391 1.000 12.452 52.579 -15.634 -99.200 -91.000 PHE 396 1.000 15.210 57.703 -16.485 -99.200 -91.000 TYR 402 0.840 16.595 50.387 -22.720 -99.200 -91.000 TYR 414 0.840 14.104 66.812 -18.386 -99.200 -91.000 TYR 428 0.840 11.203 45.534 -32.582 -99.200 -91.000 TYR 431 0.840 12.223 54.516 -26.045 -99.200 -91.000 TYR 467 0.840 15.273 58.262 -33.287 -99.200 -91.000 PHE 473 1.000 -1.277 60.964 -44.220 -99.200 -91.000 TYR 508 0.840 10.722 62.748 -33.375 -99.200 -91.000