============================================================================= 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 6 0.840 12.125 36.511 -49.995 -99.200 -91.000 HIS 18 0.900 14.992 37.851 -68.392 -99.200 -91.000 PHE 19 1.000 24.311 39.835 -66.132 -99.200 -91.000 HIS 25 0.900 29.540 48.009 -62.795 -99.200 -91.000 TYR 29 0.840 21.591 35.588 -62.623 -99.200 -91.000 PHE 32 1.000 7.552 43.880 -66.845 -99.200 -91.000 HIS 34 0.900 6.224 35.952 -58.711 -99.200 -91.000 PHE 38 1.000 3.410 37.148 -48.518 -99.200 -91.000 PHE 44 1.000 3.650 41.870 -39.935 -99.200 -91.000 PHE 54 1.000 7.414 44.560 -36.812 -99.200 -91.000 TRP 63 1.040 10.167 60.114 -41.553 -99.200 -91.000 TRP6 63 1.020 11.197 59.612 -43.638 -99.200 -91.000 PHE 64 1.000 7.639 55.680 -45.780 -99.200 -91.000 HIS 66 0.900 4.192 60.103 -36.928 -99.200 -91.000 PHE 73 1.000 9.416 59.733 -36.348 -99.200 -91.000 HIS 77 0.900 11.864 57.245 -33.228 -99.200 -91.000 HIS 80 0.900 21.646 55.976 -38.444 -99.200 -91.000 TRP 82 1.040 14.234 56.425 -45.966 -99.200 -91.000 TRP6 82 1.020 13.442 56.686 -48.173 -99.200 -91.000 TRP 85 1.040 17.884 58.148 -49.892 -99.200 -91.000 TRP6 85 1.020 18.682 57.285 -51.947 -99.200 -91.000 PHE 87 1.000 27.369 62.130 -46.055 -99.200 -91.000 TRP 90 1.040 26.861 68.314 -44.677 -99.200 -91.000 TRP6 90 1.020 26.874 70.672 -44.548 -99.200 -91.000 TYR 96 0.840 31.076 68.214 -47.287 -99.200 -91.000 HIS 97 0.900 32.518 75.999 -46.801 -99.200 -91.000 PHE 104 1.000 27.599 59.721 -50.651 -99.200 -91.000 HIS 106 0.900 31.393 56.036 -56.700 -99.200 -91.000 PHE 114 1.000 35.381 58.379 -49.934 -99.200 -91.000 TYR 118 0.840 30.175 57.660 -46.647 -99.200 -91.000 HIS 119 0.900 30.871 55.740 -39.398 -99.200 -91.000 PHE 125 1.000 23.445 65.161 -43.247 -99.200 -91.000 HIS 131 0.900 22.638 66.975 -30.984 -99.200 -91.000 PHE 135 1.000 23.290 70.277 -41.068 -99.200 -91.000 TYR 139 0.840 22.396 71.554 -45.766 -99.200 -91.000 TYR 146 0.840 7.979 55.572 -50.768 -99.200 -91.000 TRP 150 1.040 2.228 56.700 -49.044 -99.200 -91.000 TRP6 150 1.020 2.534 55.163 -47.263 -99.200 -91.000 TRP 153 1.040 -0.441 64.451 -55.774 -99.200 -91.000 TRP6 153 1.020 0.737 62.484 -56.385 -99.200 -91.000 HIS 154 0.900 3.160 70.301 -52.169 -99.200 -91.000 HIS 174 0.900 -19.347 56.354 -50.105 -99.200 -91.000 TYR 176 0.840 -19.014 46.026 -50.140 -99.200 -91.000 TRP 185 1.040 5.183 57.352 -61.864 -99.200 -91.000 TRP6 185 1.020 7.308 56.355 -61.527 -99.200 -91.000 HIS 199 0.900 8.282 50.221 -51.712 -99.200 -91.000 TYR 202 0.840 -0.641 52.538 -50.628 -99.200 -91.000 PHE 204 1.000 -5.603 50.800 -48.244 -99.200 -91.000 TYR 205 0.840 -11.866 43.277 -52.988 -99.200 -91.000 TYR 216 0.840 3.071 47.718 -60.977 -99.200 -91.000 PHE 223 1.000 20.064 38.002 -49.242 -99.200 -91.000 PHE 228 1.000 14.682 45.613 -44.205 -99.200 -91.000 TYR 233 0.840 3.820 49.200 -49.028 -99.200 -91.000 HIS 238 0.900 -1.901 42.828 -39.597 -99.200 -91.000 HIS 242 0.900 -6.138 49.161 -34.025 -99.200 -91.000 PHE 251 1.000 1.672 43.033 -49.140 -99.200 -91.000 HIS 253 0.900 5.540 42.714 -52.603 -99.200 -91.000 PHE 255 1.000 7.647 41.521 -55.980 -99.200 -91.000 HIS 259 0.900 16.501 44.247 -59.261 -99.200 -91.000 TYR 261 0.840 21.209 44.948 -57.491 -99.200 -91.000 HIS 264 0.900 22.562 41.146 -52.899 -99.200 -91.000 HIS 289 0.900 -9.119 51.290 -32.449 -99.200 -91.000 PHE 292 1.000 -3.522 59.067 -40.862 -99.200 -91.000 PHE 294 1.000 -1.878 52.956 -33.313 -99.200 -91.000 TYR 304 0.840 11.368 37.799 -36.730 -99.200 -91.000 TYR 307 0.840 16.530 28.697 -39.853 -99.200 -91.000