============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 84 rings ring int. center anis. iso. HIS 10 0.900 3.946 51.751 18.422 -99.200 -91.000 TRP 11 1.040 7.139 51.592 28.100 -99.200 -91.000 TRP6 11 1.020 8.139 53.399 29.251 -99.200 -91.000 PHE 53 1.000 30.043 49.453 39.709 -99.200 -91.000 HIS 59 0.900 18.826 41.853 38.889 -99.200 -91.000 PHE 60 1.000 25.687 43.295 32.800 -99.200 -91.000 HIS 71 0.900 11.756 21.868 21.257 -99.200 -91.000 PHE 78 1.000 1.558 34.904 26.979 -99.200 -91.000 TYR 80 0.840 -10.106 33.171 22.116 -99.200 -91.000 PHE 81 1.000 -9.735 24.423 23.196 -99.200 -91.000 HIS 85 0.900 -17.451 20.923 16.122 -99.200 -91.000 TYR 90 0.840 -15.214 10.401 21.623 -99.200 -91.000 PHE 96 1.000 -11.113 18.683 26.042 -99.200 -91.000 HIS 98 0.900 -19.644 25.993 28.510 -99.200 -91.000 PHE 109 1.000 3.878 29.113 17.811 -99.200 -91.000 PHE 128 1.000 1.278 25.189 17.753 -99.200 -91.000 PHE 132 1.000 -5.042 23.718 26.095 -99.200 -91.000 TYR 133 0.840 -2.175 29.958 32.006 -99.200 -91.000 TRP 139 1.040 -3.974 19.315 28.687 -99.200 -91.000 TRP6 139 1.020 -5.441 19.694 26.874 -99.200 -91.000 PHE 149 1.000 11.459 13.202 18.834 -99.200 -91.000 PHE 150 1.000 14.092 13.349 14.366 -99.200 -91.000 PHE 157 1.000 14.983 14.011 24.039 -99.200 -91.000 PHE 160 1.000 17.185 12.924 17.774 -99.200 -91.000 HIS 162 0.900 24.639 14.021 24.898 -99.200 -91.000 HIS 171 0.900 30.568 24.554 21.711 -99.200 -91.000 TRP 179 1.040 23.251 12.103 8.148 -99.200 -91.000 TRP6 179 1.020 21.127 11.276 7.535 -99.200 -91.000 PHE 181 1.000 20.639 8.254 17.971 -99.200 -91.000 TRP 182 1.040 18.665 10.626 12.801 -99.200 -91.000 TRP6 182 1.020 18.704 12.675 11.630 -99.200 -91.000 HIS 190 0.900 6.456 7.850 9.633 -99.200 -91.000 PHE 194 1.000 6.560 16.252 8.752 -99.200 -91.000 PHE 196 1.000 17.429 15.782 6.306 -99.200 -91.000 HIS 205 0.900 7.666 30.146 15.321 -99.200 -91.000 HIS 207 0.900 1.586 31.082 6.831 -99.200 -91.000 TYR 211 0.840 0.665 17.296 13.395 -99.200 -91.000 HIS 214 0.900 4.595 11.399 23.313 -99.200 -91.000 PHE 216 1.000 -0.920 13.164 25.251 -99.200 -91.000 TYR 227 0.840 -5.221 3.769 24.884 -99.200 -91.000 PHE 230 1.000 -5.030 15.559 23.170 -99.200 -91.000 HIS 231 0.900 -3.892 14.842 14.485 -99.200 -91.000 TYR 232 0.840 -1.493 21.833 18.624 -99.200 -91.000 TYR 256 0.840 10.605 34.925 8.243 -99.200 -91.000 PHE 262 1.000 5.697 42.524 19.304 -99.200 -91.000 TYR 270 0.840 -5.642 39.711 17.406 -99.200 -91.000 TRP 273 1.040 -2.204 26.540 14.628 -99.200 -91.000 TRP6 273 1.020 -1.428 28.637 15.389 -99.200 -91.000 PHE 275 1.000 -6.817 20.750 20.661 -99.200 -91.000 TYR 276 0.840 -9.661 19.372 12.841 -99.200 -91.000 PHE 282 1.000 -8.389 1.364 26.955 -99.200 -91.000 PHE 288 1.000 -2.351 1.324 14.553 -99.200 -91.000 PHE 290 1.000 2.302 -0.342 11.268 -99.200 -91.000 PHE 293 1.000 -0.642 2.062 23.706 -99.200 -91.000 TRP 299 1.040 -3.221 6.191 16.322 -99.200 -91.000 TRP6 299 1.020 -4.748 6.828 18.008 -99.200 -91.000 HIS 301 0.900 -5.360 12.112 9.380 -99.200 -91.000 TYR 304 0.840 -7.785 4.292 14.105 -99.200 -91.000 TYR 321 0.840 11.722 35.869 24.420 -99.200 -91.000 PHE 322 1.000 14.707 36.130 32.431 -99.200 -91.000 PHE 330 1.000 4.598 25.730 27.354 -99.200 -91.000 PHE 352 1.000 12.980 12.142 35.971 -99.200 -91.000 TYR 354 0.840 9.192 17.870 28.561 -99.200 -91.000 HIS 358 0.900 9.946 22.808 32.955 -99.200 -91.000 HIS 360 0.900 19.929 22.605 35.656 -99.200 -91.000 TYR 366 0.840 8.673 24.096 37.547 -99.200 -91.000 HIS 368 0.900 5.820 29.095 44.780 -99.200 -91.000 TYR 375 0.840 -4.423 32.971 35.056 -99.200 -91.000 TYR 382 0.840 -1.870 18.507 53.362 -99.200 -91.000 TYR 400 0.840 -0.515 17.047 60.667 -99.200 -91.000 TYR 401 0.840 -4.865 14.342 53.127 -99.200 -91.000 PHE 405 1.000 -5.436 19.923 64.618 -99.200 -91.000 HIS 417 0.900 -9.176 3.643 32.515 -99.200 -91.000 TYR 421 0.840 -0.941 -1.264 31.501 -99.200 -91.000 PHE 428 1.000 8.793 -6.620 28.038 -99.200 -91.000 PHE 442 1.000 6.653 11.724 4.307 -99.200 -91.000 TYR 443 0.840 10.572 8.104 -1.868 -99.200 -91.000 HIS 462 0.900 23.345 17.057 7.816 -99.200 -91.000 PHE 469 1.000 31.776 4.430 9.354 -99.200 -91.000 PHE 478 1.000 17.531 7.706 3.924 -99.200 -91.000 HIS 482 0.900 9.995 2.869 -3.910 -99.200 -91.000 TYR 485 0.840 13.680 8.046 1.028 -99.200 -91.000 HIS 488 0.900 16.642 11.506 -6.802 -99.200 -91.000 TYR 496 0.840 25.984 16.891 -2.930 -99.200 -91.000