============================================================================= 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 14.807 -0.092 105.011 -99.200 -91.000 TYR 10 0.840 8.560 -5.486 102.254 -99.200 -91.000 TYR 14 0.840 9.761 -15.795 107.177 -99.200 -91.000 TYR 15 0.840 16.751 -12.122 111.647 -99.200 -91.000 PHE 32 1.000 30.239 -16.432 106.558 -99.200 -91.000 HIS 92 0.900 0.475 3.525 86.130 -99.200 -91.000 PHE 100 1.000 -4.106 10.549 80.233 -99.200 -91.000 PHE 104 1.000 11.682 4.674 81.604 -99.200 -91.000 TYR 111 0.840 25.236 3.764 86.574 -99.200 -91.000 TYR 123 0.840 9.260 13.802 83.002 -99.200 -91.000 TYR 142 0.840 26.341 -13.282 94.691 -99.200 -91.000 HIS 163 0.900 10.678 21.199 89.979 -99.200 -91.000 TYR 177 0.840 36.656 4.988 84.324 -99.200 -91.000 TYR 182 0.840 32.584 -9.831 79.987 -99.200 -91.000 PHE 184 1.000 27.093 -9.764 89.653 -99.200 -91.000 TRP 185 1.040 29.572 -12.760 82.513 -99.200 -91.000 TRP6 185 1.020 31.547 -13.307 83.704 -99.200 -91.000 HIS 190 0.900 24.946 -19.009 82.917 -99.200 -91.000 TYR 192 0.840 21.706 -20.012 91.716 -99.200 -91.000 TYR 204 0.840 33.238 -1.028 95.385 -99.200 -91.000 PHE 208 1.000 35.626 6.122 95.802 -99.200 -91.000 TRP 212 1.040 38.031 11.694 94.703 -99.200 -91.000 TRP6 212 1.020 36.598 13.422 95.459 -99.200 -91.000 TYR 215 0.840 32.283 15.681 92.315 -99.200 -91.000 PHE 226 1.000 31.958 15.666 98.459 -99.200 -91.000 PHE 231 1.000 32.341 5.452 99.382 -99.200 -91.000 HIS 232 0.900 26.710 -1.520 95.148 -99.200 -91.000 PHE 235 1.000 32.162 -7.793 100.529 -99.200 -91.000 TYR 262 0.840 31.826 2.270 104.929 -99.200 -91.000 TYR 268 0.840 18.601 1.814 108.973 -99.200 -91.000 TYR 271 0.840 21.947 -5.040 112.063 -99.200 -91.000 TYR 276 0.840 22.529 -8.220 92.916 -99.200 -91.000 TYR 281 0.840 20.275 5.535 95.216 -99.200 -91.000 PHE 302 1.000 31.814 4.651 92.767 -99.200 -91.000 TYR 304 0.840 31.435 -1.264 90.378 -99.200 -91.000 PHE 312 1.000 32.008 11.565 94.409 -99.200 -91.000 TYR 313 0.840 24.446 10.879 92.849 -99.200 -91.000 TYR 321 0.840 18.328 15.801 107.424 -99.200 -91.000 HIS 324 0.900 9.631 16.805 105.726 -99.200 -91.000 HIS 330 0.900 12.895 3.950 107.044 -99.200 -91.000 TYR 345 0.840 19.890 -19.429 103.226 -99.200 -91.000 PHE 348 1.000 11.127 -19.591 104.154 -99.200 -91.000 PHE 349 1.000 19.238 -19.720 97.208 -99.200 -91.000 PHE 352 1.000 12.636 -15.787 95.092 -99.200 -91.000 PHE 357 1.000 2.965 -18.830 94.115 -99.200 -91.000 HIS 365 0.900 -4.672 -15.311 108.874 -99.200 -91.000 HIS 369 0.900 -2.872 -4.575 108.095 -99.200 -91.000 PHE 371 1.000 0.373 -3.435 96.965 -99.200 -91.000 TYR 372 0.840 -0.060 -12.370 99.984 -99.200 -91.000 TYR 383 0.840 2.304 -9.410 91.750 -99.200 -91.000 HIS 384 0.900 -3.054 -9.624 100.290 -99.200 -91.000