============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TYR 5 0.840 32.319 -34.016 0.994 -99.200 -91.000 TYR 6 0.840 28.632 -28.588 -5.216 -99.200 -91.000 HIS 14 0.900 16.748 -28.930 -0.796 -99.200 -91.000 TYR 24 0.840 24.440 -21.823 4.643 -99.200 -91.000 HIS 26 0.900 19.406 -14.536 9.959 -99.200 -91.000 PHE 28 1.000 28.597 -19.449 18.672 -99.200 -91.000 HIS 29 0.900 27.983 -12.574 22.578 -99.200 -91.000 PHE 37 1.000 39.425 -22.142 25.584 -99.200 -91.000 TYR 41 0.840 40.435 -20.833 30.292 -99.200 -91.000 HIS 43 0.900 45.532 -21.484 34.510 -99.200 -91.000 HIS 49 0.900 34.674 -30.981 32.237 -99.200 -91.000 HIS 62 0.900 41.366 -26.182 9.488 -99.200 -91.000 PHE 73 1.000 39.418 -37.157 21.188 -99.200 -91.000 TYR 74 0.840 33.496 -32.499 15.898 -99.200 -91.000 TYR 92 0.840 26.063 -31.819 22.179 -99.200 -91.000 PHE 98 1.000 28.376 -37.022 21.452 -99.200 -91.000 HIS 100 0.900 20.003 -34.067 14.356 -99.200 -91.000 TYR 130 0.840 24.333 -27.531 27.488 -99.200 -91.000 HIS 140 0.900 32.778 -27.103 -3.438 -99.200 -91.000 TYR 148 0.840 50.442 -17.924 -6.504 -99.200 -91.000 TYR 152 0.840 38.146 -19.574 -1.854 -99.200 -91.000 PHE 160 1.000 53.381 -20.614 2.772 -99.200 -91.000 PHE 165 1.000 49.053 -11.843 1.271 -99.200 -91.000 TYR 174 0.840 59.026 1.613 10.426 -99.200 -91.000 PHE 178 1.000 61.002 7.563 8.246 -99.200 -91.000 PHE 184 1.000 57.300 13.892 4.226 -99.200 -91.000 PHE 204 1.000 45.862 -1.586 -17.643 -99.200 -91.000 TYR 207 0.840 33.386 6.965 -24.009 -99.200 -91.000 HIS 208 0.900 32.507 9.786 -16.693 -99.200 -91.000 TYR 216 0.840 45.246 7.946 -21.831 -99.200 -91.000 TYR 224 0.840 46.711 14.823 -10.652 -99.200 -91.000 HIS 225 0.900 51.915 12.850 -4.156 -99.200 -91.000 TYR 237 0.840 52.031 9.653 4.061 -99.200 -91.000 PHE 243 1.000 45.208 1.264 -11.245 -99.200 -91.000 HIS 252 0.900 58.215 -6.003 -13.825 -99.200 -91.000 PHE 256 1.000 53.224 -0.629 -9.904 -99.200 -91.000 PHE 261 1.000 59.634 10.749 0.860 -99.200 -91.000 TYR 262 0.840 56.743 13.928 -5.310 -99.200 -91.000 TYR 265 0.840 61.476 25.233 1.062 -99.200 -91.000 TYR 268 0.840 71.353 13.428 -6.008 -99.200 -91.000 HIS 269 0.900 74.021 14.610 -2.559 -99.200 -91.000 HIS 285 0.900 58.796 -1.778 14.707 -99.200 -91.000 TYR 290 0.840 69.381 -2.293 12.116 -99.200 -91.000 TYR 294 0.840 68.056 -12.610 -2.680 -99.200 -91.000 HIS 295 0.900 66.777 -19.167 1.632 -99.200 -91.000 TYR 304 0.840 74.264 -16.119 -2.398 -99.200 -91.000 PHE 308 1.000 67.608 -4.697 3.699 -99.200 -91.000 PHE 312 1.000 70.376 1.235 2.760 -99.200 -91.000 PHE 335 1.000 75.511 9.145 -22.048 -99.200 -91.000 PHE 372 1.000 77.588 -5.805 -19.005 -99.200 -91.000 PHE 382 1.000 70.582 5.040 -1.427 -99.200 -91.000 HIS 386 0.900 69.393 6.888 -12.285 -99.200 -91.000 TRP 396 1.040 70.523 21.961 -14.007 -99.200 -91.000 TRP6 396 1.020 68.438 23.090 -13.909 -99.200 -91.000 HIS 397 0.900 75.603 15.962 -10.464 -99.200 -91.000 PHE 407 1.000 67.808 8.133 -3.926 -99.200 -91.000 PHE 410 1.000 68.246 -0.955 -9.139 -99.200 -91.000 TYR 420 0.840 62.855 12.267 -10.325 -99.200 -91.000 PHE 433 1.000 56.080 16.957 -19.329 -99.200 -91.000 PHE 449 1.000 49.982 10.192 -23.520 -99.200 -91.000 PHE 454 1.000 54.432 19.084 -13.341 -99.200 -91.000 TYR 460 0.840 50.284 30.404 -11.414 -99.200 -91.000 TRP 468 1.040 61.953 7.663 -1.348 -99.200 -91.000 TRP6 468 1.020 60.205 6.373 -0.425 -99.200 -91.000 PHE 478 1.000 63.430 -5.401 0.763 -99.200 -91.000 PHE 491 1.000 41.612 -12.287 -3.407 -99.200 -91.000