============================================================================= 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. PHE 6 1.000 43.232 13.224 20.975 -99.200 -91.000 HIS 11 0.900 47.764 21.698 16.577 -99.200 -91.000 TYR 12 0.840 43.644 19.961 8.489 -99.200 -91.000 HIS 21 0.900 51.178 29.596 2.033 -99.200 -91.000 HIS 26 0.900 53.381 33.384 -9.219 -99.200 -91.000 HIS 43 0.900 62.879 26.110 -14.147 -99.200 -91.000 PHE 47 1.000 63.366 20.404 -2.981 -99.200 -91.000 HIS 50 0.900 55.371 26.735 2.255 -99.200 -91.000 PHE 54 1.000 50.390 15.709 2.884 -99.200 -91.000 HIS 58 0.900 54.071 31.263 10.052 -99.200 -91.000 TYR 67 0.840 73.822 25.078 -13.567 -99.200 -91.000 PHE 70 1.000 71.012 20.343 -12.983 -99.200 -91.000 TRP 73 1.040 72.091 12.114 -15.561 -99.200 -91.000 TRP6 73 1.020 71.525 10.176 -14.366 -99.200 -91.000 PHE 89 1.000 70.515 31.826 -4.696 -99.200 -91.000 TYR 101 0.840 79.335 28.976 -0.741 -99.200 -91.000 PHE 111 1.000 67.072 32.789 0.807 -99.200 -91.000 HIS 119 0.900 66.186 27.782 6.945 -99.200 -91.000 PHE 143 1.000 37.967 13.886 2.393 -99.200 -91.000 PHE 146 1.000 41.679 10.037 5.526 -99.200 -91.000 TYR 147 0.840 44.491 10.687 1.564 -99.200 -91.000 TYR 150 0.840 47.421 9.346 8.869 -99.200 -91.000 HIS 152 0.900 48.628 20.069 11.841 -99.200 -91.000 TRP 157 1.040 53.176 11.721 18.908 -99.200 -91.000 TRP6 157 1.020 54.420 10.220 17.576 -99.200 -91.000 PHE 171 1.000 62.038 7.927 12.290 -99.200 -91.000 PHE 174 1.000 60.027 11.812 1.834 -99.200 -91.000 PHE 191 1.000 51.352 5.669 -4.971 -99.200 -91.000 PHE 198 1.000 68.058 6.504 -14.625 -99.200 -91.000 PHE 212 1.000 42.490 4.812 -3.091 -99.200 -91.000 TYR 218 0.840 37.312 7.788 4.512 -99.200 -91.000 HIS 222 0.900 34.686 15.170 0.815 -99.200 -91.000 PHE 233 1.000 40.713 8.610 18.506 -99.200 -91.000 PHE 234 1.000 40.208 2.506 12.180 -99.200 -91.000 PHE 239 1.000 52.038 7.312 12.714 -99.200 -91.000 TYR 242 0.840 52.144 -0.847 10.051 -99.200 -91.000 TYR 243 0.840 55.264 2.946 11.138 -99.200 -91.000 TYR 246 0.840 57.254 -2.496 9.838 -99.200 -91.000 PHE 248 1.000 60.758 0.333 11.523 -99.200 -91.000 HIS 257 0.900 56.525 -5.705 -2.177 -99.200 -91.000 HIS 261 0.900 64.074 -9.595 4.988 -99.200 -91.000 TYR 265 0.840 66.389 0.039 0.545 -99.200 -91.000 HIS 272 0.900 67.879 3.990 -8.520 -99.200 -91.000 TRP 284 1.040 80.491 11.963 -14.065 -99.200 -91.000 TRP6 284 1.020 82.235 11.746 -12.484 -99.200 -91.000 HIS 287 0.900 81.641 18.767 -18.157 -99.200 -91.000 HIS 291 0.900 82.477 22.266 -21.284 -99.200 -91.000 PHE 302 1.000 81.463 6.667 -12.544 -99.200 -91.000 TYR 318 0.840 63.894 3.511 13.422 -99.200 -91.000 PHE 323 1.000 57.462 8.764 -2.842 -99.200 -91.000 TYR 326 0.840 63.782 2.338 -5.815 -99.200 -91.000 HIS 340 0.900 62.607 10.458 22.470 -99.200 -91.000 PHE 345 1.000 56.008 5.714 16.220 -99.200 -91.000 PHE 360 1.000 45.706 18.684 20.422 -99.200 -91.000 PHE 364 1.000 48.612 15.804 19.167 -99.200 -91.000