============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. PHE 4 1.000 -17.724 -12.276 -61.458 -99.200 -91.000 PHE 7 1.000 -13.011 -9.132 -58.330 -99.200 -91.000 TYR 15 0.840 -9.810 -1.529 -49.033 -99.200 -91.000 TYR 18 0.840 -4.054 -0.320 -50.364 -99.200 -91.000 PHE 21 1.000 1.159 -4.901 -49.958 -99.200 -91.000 PHE 30 1.000 -1.793 -4.105 -58.439 -99.200 -91.000 TYR 41 0.840 5.477 -17.771 -65.016 -99.200 -91.000 HIS 48 0.900 -5.097 -8.177 -64.848 -99.200 -91.000 TRP 50 1.040 -4.567 -14.507 -55.323 -99.200 -91.000 TRP6 50 1.020 -4.956 -12.656 -53.901 -99.200 -91.000 TYR 54 0.840 -10.771 -16.798 -67.556 -99.200 -91.000 PHE 56 1.000 -10.723 -9.772 -67.597 -99.200 -91.000 HIS 79 0.900 -16.190 -11.188 -70.806 -99.200 -91.000 PHE 87 1.000 -16.423 -5.947 -53.860 -99.200 -91.000 TRP 97 1.040 -14.428 4.523 -63.437 -99.200 -91.000 TRP6 97 1.020 -12.773 6.080 -62.772 -99.200 -91.000 PHE 111 1.000 -5.422 5.324 -69.464 -99.200 -91.000 TYR 133 0.840 2.258 -6.122 -68.198 -99.200 -91.000 PHE 137 1.000 -4.643 0.288 -70.968 -99.200 -91.000 TRP 141 1.040 -0.289 3.969 -67.487 -99.200 -91.000 TRP6 141 1.020 -1.750 5.171 -66.060 -99.200 -91.000 TRP 145 1.040 2.580 6.318 -63.535 -99.200 -91.000 TRP6 145 1.020 1.160 6.964 -61.742 -99.200 -91.000 PHE 154 1.000 0.657 10.719 -58.007 -99.200 -91.000 TRP 167 1.040 0.727 -13.619 -54.834 -99.200 -91.000 TRP6 167 1.020 0.278 -11.751 -56.237 -99.200 -91.000 PHE 177 1.000 -8.069 -24.691 -59.532 -99.200 -91.000 PHE 188 1.000 2.745 -33.377 -71.140 -99.200 -91.000 PHE 224 1.000 1.058 -37.411 -73.199 -99.200 -91.000 TYR 240 0.840 -13.336 -24.218 -59.036 -99.200 -91.000 PHE 242 1.000 -7.942 -31.816 -67.273 -99.200 -91.000 PHE 244 1.000 -8.331 -32.285 -72.785 -99.200 -91.000 TRP 249 1.040 4.730 -27.419 -72.204 -99.200 -91.000 TRP6 249 1.020 5.511 -29.276 -70.966 -99.200 -91.000 TYR 251 0.840 10.546 -25.518 -66.464 -99.200 -91.000 PHE 261 1.000 25.499 -33.547 -67.273 -99.200 -91.000 TYR 275 0.840 28.126 -39.118 -74.015 -99.200 -91.000 TYR 288 0.840 -6.023 -27.472 -64.876 -99.200 -91.000 TYR 291 0.840 -3.180 -21.472 -58.702 -99.200 -91.000 PHE 299 1.000 14.836 -40.097 -66.247 -99.200 -91.000 TYR 311 0.840 19.031 -41.119 -58.102 -99.200 -91.000 PHE 313 1.000 24.273 -36.974 -49.354 -99.200 -91.000 TYR 336 0.840 22.042 -23.247 -49.431 -99.200 -91.000 TYR 342 0.840 21.399 -34.807 -43.823 -99.200 -91.000 PHE 354 1.000 22.992 -28.689 -51.981 -99.200 -91.000 PHE 366 1.000 9.528 -22.468 -62.523 -99.200 -91.000 PHE 371 1.000 9.110 -18.159 -48.767 -99.200 -91.000 TYR 379 0.840 13.529 -11.114 -47.661 -99.200 -91.000 PHE 388 1.000 8.234 -23.621 -49.572 -99.200 -91.000 PHE 392 1.000 18.077 -31.831 -53.259 -99.200 -91.000 PHE 394 1.000 25.032 -32.926 -54.066 -99.200 -91.000 TYR 406 0.840 28.880 -38.095 -61.460 -99.200 -91.000 PHE 426 1.000 8.289 -35.605 -51.776 -99.200 -91.000 TYR 430 0.840 8.508 -40.871 -63.793 -99.200 -91.000 PHE 439 1.000 15.762 -46.357 -68.044 -99.200 -91.000 TYR 440 0.840 21.881 -50.884 -65.385 -99.200 -91.000 PHE 441 1.000 20.067 -48.370 -73.580 -99.200 -91.000