============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 16 0.900 14.208 -14.879 6.710 -99.200 -91.000 TYR 24 0.840 11.853 -19.536 17.137 -99.200 -91.000 TYR 33 0.840 14.731 -9.764 8.479 -99.200 -91.000 TYR 35 0.840 14.885 -9.345 16.083 -99.200 -91.000 PHE 54 1.000 30.933 -10.262 25.855 -99.200 -91.000 TRP 73 1.040 29.799 8.098 12.922 -99.200 -91.000 TRP6 73 1.020 29.967 6.182 11.559 -99.200 -91.000 TYR 79 0.840 27.862 12.637 7.543 -99.200 -91.000 TYR 82 0.840 29.966 2.534 7.956 -99.200 -91.000 TYR 87 0.840 19.487 2.600 7.125 -99.200 -91.000 TYR 97 0.840 20.298 14.498 14.850 -99.200 -91.000 HIS 103 0.900 26.416 3.434 18.309 -99.200 -91.000 PHE 107 1.000 30.342 2.416 23.596 -99.200 -91.000 TYR 118 0.840 48.408 6.759 34.728 -99.200 -91.000 TYR 126 0.840 28.667 -6.044 27.361 -99.200 -91.000 TYR 132 0.840 18.879 1.276 13.480 -99.200 -91.000 PHE 148 1.000 23.783 -4.991 12.321 -99.200 -91.000 TYR 154 0.840 32.516 0.188 20.671 -99.200 -91.000 PHE 156 1.000 36.987 3.406 24.866 -99.200 -91.000 HIS 157 0.900 42.603 -1.264 26.372 -99.200 -91.000 TYR 167 0.840 42.376 -8.760 19.591 -99.200 -91.000 TYR 170 0.840 35.470 -7.677 24.823 -99.200 -91.000 TYR 174 0.840 33.683 -11.555 20.826 -99.200 -91.000 PHE 178 1.000 30.923 -16.196 18.810 -99.200 -91.000 PHE 185 1.000 33.837 -20.998 18.378 -99.200 -91.000 PHE 199 1.000 36.204 -14.820 17.767 -99.200 -91.000 TYR 212 0.840 40.566 -25.122 6.615 -99.200 -91.000 TYR 218 0.840 47.234 -18.175 7.875 -99.200 -91.000 TYR 229 0.840 57.539 -13.930 -2.903 -99.200 -91.000 HIS 235 0.900 68.681 -17.250 -11.678 -99.200 -91.000 PHE 258 1.000 47.615 -14.208 -30.329 -99.200 -91.000 PHE 259 1.000 51.325 -13.677 -27.028 -99.200 -91.000 PHE 272 1.000 41.965 -2.707 -8.043 -99.200 -91.000 HIS 287 0.900 49.201 -15.965 -8.200 -99.200 -91.000 PHE 297 1.000 51.201 -0.786 -0.703 -99.200 -91.000 PHE 302 1.000 35.513 7.421 -0.386 -99.200 -91.000 PHE 319 1.000 38.394 -3.053 -17.159 -99.200 -91.000 TYR 334 0.840 51.748 0.949 -5.128 -99.200 -91.000 TYR 354 0.840 48.644 -3.929 -31.744 -99.200 -91.000 HIS 355 0.900 47.477 -8.958 -24.591 -99.200 -91.000 PHE 365 1.000 56.645 -5.049 -15.081 -99.200 -91.000 TYR 370 0.840 57.909 -6.164 -7.962 -99.200 -91.000 PHE 375 1.000 40.964 -11.842 -3.388 -99.200 -91.000 PHE 391 1.000 40.857 -20.465 -0.542 -99.200 -91.000 HIS 399 0.900 36.308 -8.212 12.233 -99.200 -91.000 PHE 401 1.000 36.957 -4.957 13.909 -99.200 -91.000 TYR 407 0.840 37.177 4.865 14.808 -99.200 -91.000 TYR 430 0.840 37.374 -5.816 22.060 -99.200 -91.000 TRP 453 1.040 15.994 -22.791 19.464 -99.200 -91.000 TRP6 453 1.020 17.203 -21.130 18.302 -99.200 -91.000 PHE 460 1.000 8.298 -20.528 26.209 -99.200 -91.000 HIS 463 0.900 5.478 -26.593 22.965 -99.200 -91.000 TYR 473 0.840 -9.540 -37.085 35.555 -99.200 -91.000 TYR 490 0.840 13.201 -27.716 34.319 -99.200 -91.000 PHE 505 1.000 2.381 -34.311 20.439 -99.200 -91.000