============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 9 1.000 62.584 16.031 55.205 -99.200 -91.000 TYR 10 0.840 68.674 21.693 56.611 -99.200 -91.000 TYR 14 0.840 67.624 26.050 67.047 -99.200 -91.000 TYR 15 0.840 60.560 20.475 68.096 -99.200 -91.000 PHE 32 1.000 47.053 26.666 67.003 -99.200 -91.000 HIS 92 0.900 76.211 25.902 38.619 -99.200 -91.000 PHE 100 1.000 80.660 24.994 29.510 -99.200 -91.000 PHE 104 1.000 65.082 28.041 34.665 -99.200 -91.000 TYR 111 0.840 51.828 25.094 38.995 -99.200 -91.000 TYR 123 0.840 67.576 20.294 29.495 -99.200 -91.000 TYR 142 0.840 50.662 32.418 56.382 -99.200 -91.000 HIS 163 0.900 66.725 10.206 29.872 -99.200 -91.000 TYR 177 0.840 40.524 25.468 36.798 -99.200 -91.000 TYR 182 0.840 44.530 39.349 43.418 -99.200 -91.000 PHE 184 1.000 49.834 33.121 50.298 -99.200 -91.000 TRP 185 1.040 47.345 39.860 47.073 -99.200 -91.000 TRP6 185 1.020 45.385 39.479 48.348 -99.200 -91.000 HIS 190 0.900 51.901 44.580 51.310 -99.200 -91.000 TYR 192 0.840 55.335 39.310 58.546 -99.200 -91.000 TYR 204 0.840 44.459 22.543 48.705 -99.200 -91.000 PHE 208 1.000 41.863 17.034 44.597 -99.200 -91.000 TRP 212 1.040 39.322 13.411 40.076 -99.200 -91.000 TRP6 212 1.020 40.797 11.619 39.624 -99.200 -91.000 TYR 215 0.840 44.905 12.234 35.795 -99.200 -91.000 PHE 226 1.000 45.377 8.039 40.187 -99.200 -91.000 PHE 231 1.000 44.935 15.370 47.901 -99.200 -91.000 HIS 232 0.900 50.219 23.450 49.149 -99.200 -91.000 PHE 235 1.000 45.193 24.168 56.761 -99.200 -91.000 TYR 262 0.840 45.864 13.854 53.486 -99.200 -91.000 TYR 268 0.840 58.809 11.635 56.911 -99.200 -91.000 TYR 271 0.840 55.262 14.778 64.126 -99.200 -91.000 TYR 276 0.840 54.684 29.873 51.820 -99.200 -91.000 TYR 281 0.840 56.868 18.181 44.341 -99.200 -91.000 PHE 302 1.000 45.333 20.152 43.403 -99.200 -91.000 TYR 304 0.840 45.680 26.245 45.403 -99.200 -91.000 PHE 312 1.000 45.443 13.819 40.046 -99.200 -91.000 TYR 313 0.840 52.745 15.501 39.127 -99.200 -91.000 TYR 321 0.840 59.226 2.401 46.505 -99.200 -91.000 HIS 324 0.900 67.816 3.078 44.367 -99.200 -91.000 HIS 330 0.900 64.339 11.576 54.167 -99.200 -91.000 TYR 345 0.840 57.311 31.320 66.706 -99.200 -91.000 PHE 348 1.000 66.090 31.045 67.390 -99.200 -91.000 PHE 349 1.000 57.878 35.539 62.379 -99.200 -91.000 PHE 352 1.000 64.380 34.071 58.262 -99.200 -91.000 PHE 357 1.000 74.182 37.386 59.340 -99.200 -91.000 HIS 365 0.900 81.762 24.910 68.026 -99.200 -91.000 HIS 369 0.900 80.314 17.239 60.083 -99.200 -91.000 PHE 371 1.000 76.669 23.693 51.143 -99.200 -91.000 TYR 372 0.840 77.072 28.328 59.262 -99.200 -91.000 TYR 383 0.840 74.739 31.663 51.423 -99.200 -91.000 HIS 384 0.900 80.179 26.113 57.716 -99.200 -91.000