============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 4 0.840 16.637 12.312 -9.802 -99.200 -91.000 HIS 48 0.900 -7.798 9.415 13.565 -99.200 -91.000 TYR 66 0.840 -11.430 12.555 40.877 -99.200 -91.000 PHE 68 1.000 -7.731 20.550 34.210 -99.200 -91.000 HIS 83 0.900 4.835 24.883 31.456 -99.200 -91.000 PHE 91 1.000 -0.780 30.529 18.922 -99.200 -91.000 PHE 100 1.000 -1.342 37.391 28.640 -99.200 -91.000 TRP 108 1.040 7.172 27.551 33.795 -99.200 -91.000 TRP6 108 1.020 7.846 26.688 31.706 -99.200 -91.000 HIS 124 0.900 -0.271 46.382 29.587 -99.200 -91.000 HIS 133 0.900 3.226 34.708 47.995 -99.200 -91.000 TYR 134 0.840 2.882 37.773 40.734 -99.200 -91.000 HIS 146 0.900 -0.582 47.527 33.219 -99.200 -91.000 PHE 152 1.000 0.562 32.075 32.332 -99.200 -91.000 HIS 155 0.900 -1.797 25.547 42.071 -99.200 -91.000 PHE 169 1.000 -4.419 35.624 43.875 -99.200 -91.000 HIS 174 0.900 -14.355 35.511 37.624 -99.200 -91.000 TYR 176 0.840 -10.298 45.614 39.270 -99.200 -91.000 TYR 194 0.840 -10.319 22.239 46.349 -99.200 -91.000 TYR 204 0.840 -1.355 25.955 30.458 -99.200 -91.000 PHE 222 1.000 -10.256 27.165 26.450 -99.200 -91.000 TYR 228 0.840 -19.719 36.599 24.920 -99.200 -91.000 TYR 231 0.840 -17.039 28.195 20.632 -99.200 -91.000 PHE 240 1.000 -8.645 24.117 10.381 -99.200 -91.000 TYR 241 0.840 -4.604 20.922 11.240 -99.200 -91.000 TYR 246 0.840 -12.612 24.748 12.705 -99.200 -91.000 TRP 251 1.040 -10.528 15.836 22.150 -99.200 -91.000 TRP6 251 1.020 -9.925 14.128 23.680 -99.200 -91.000 HIS 259 0.900 -8.461 19.707 14.654 -99.200 -91.000 HIS 260 0.900 -5.608 16.659 16.512 -99.200 -91.000 TYR 268 0.840 -4.447 2.844 23.147 -99.200 -91.000 TRP 286 1.040 -4.570 17.169 45.967 -99.200 -91.000 TRP6 286 1.020 -6.778 17.925 46.360 -99.200 -91.000 HIS 289 0.900 2.003 14.194 44.899 -99.200 -91.000 HIS 295 0.900 11.569 10.955 55.144 -99.200 -91.000 HIS 297 0.900 10.587 20.897 51.619 -99.200 -91.000 HIS 299 0.900 16.512 12.280 54.727 -99.200 -91.000 PHE 307 1.000 14.004 23.827 52.366 -99.200 -91.000 PHE 308 1.000 15.498 30.804 44.238 -99.200 -91.000 TYR 328 0.840 29.883 21.313 47.796 -99.200 -91.000 TRP 330 1.040 24.895 24.454 38.273 -99.200 -91.000 TRP6 330 1.020 23.698 23.024 36.839 -99.200 -91.000 TYR 336 0.840 29.519 11.471 43.961 -99.200 -91.000 HIS 340 0.900 30.053 7.985 41.916 -99.200 -91.000 PHE 341 1.000 24.525 7.415 45.559 -99.200 -91.000 TYR 364 0.840 5.444 3.908 40.390 -99.200 -91.000 HIS 384 0.900 32.713 10.706 48.668 -99.200 -91.000