============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. HIS 4 0.900 -5.267 -2.485 -16.225 -99.200 -91.000 TYR 14 0.840 14.721 -15.942 -24.031 -99.200 -91.000 PHE 17 1.000 10.062 -8.429 -24.373 -99.200 -91.000 TYR 21 0.840 18.984 -10.451 -17.523 -99.200 -91.000 TYR 34 0.840 22.691 4.498 -6.510 -99.200 -91.000 TYR 37 0.840 33.026 2.324 -5.207 -99.200 -91.000 TYR 40 0.840 22.404 3.415 -10.201 -99.200 -91.000 TRP 49 1.040 8.420 -3.332 -2.366 -99.200 -91.000 TRP6 49 1.020 6.216 -3.896 -1.691 -99.200 -91.000 HIS 50 0.900 8.260 1.280 -2.638 -99.200 -91.000 TRP 55 1.040 -3.506 -5.533 -8.189 -99.200 -91.000 TRP6 55 1.020 -3.819 -7.629 -7.131 -99.200 -91.000 HIS 58 0.900 -10.114 -5.498 -1.424 -99.200 -91.000 TYR 65 0.840 -1.916 -3.597 -18.594 -99.200 -91.000 TYR 69 0.840 8.703 5.719 -10.235 -99.200 -91.000 PHE 71 1.000 1.403 9.294 -16.561 -99.200 -91.000 PHE 75 1.000 7.883 12.172 -11.177 -99.200 -91.000 PHE 87 1.000 11.795 7.560 -14.897 -99.200 -91.000 PHE 89 1.000 20.879 0.994 -14.058 -99.200 -91.000 HIS 94 0.900 10.951 3.264 -21.779 -99.200 -91.000 PHE 97 1.000 17.411 -2.296 -25.861 -99.200 -91.000 TRP 99 1.040 11.970 -2.339 -28.612 -99.200 -91.000 TRP6 99 1.020 11.654 -4.160 -27.142 -99.200 -91.000 PHE 106 1.000 9.001 2.250 -14.832 -99.200 -91.000 TRP 124 1.040 9.467 -9.421 -16.871 -99.200 -91.000 TRP6 124 1.020 9.457 -8.882 -19.183 -99.200 -91.000 TYR 151 0.840 0.880 -1.527 8.347 -99.200 -91.000 PHE 155 1.000 0.819 -2.932 2.345 -99.200 -91.000 PHE 156 1.000 3.417 -7.468 1.987 -99.200 -91.000 HIS 173 0.900 12.982 -4.742 3.653 -99.200 -91.000 HIS 179 0.900 19.667 4.717 0.845 -99.200 -91.000 TYR 185 0.840 12.390 3.597 9.676 -99.200 -91.000 PHE 196 1.000 17.380 -12.423 -3.529 -99.200 -91.000 PHE 200 1.000 14.514 -9.804 6.520 -99.200 -91.000 TYR 201 0.840 14.291 -14.942 5.164 -99.200 -91.000 TRP 209 1.040 18.232 -8.461 15.624 -99.200 -91.000 TRP6 209 1.020 19.239 -7.191 13.898 -99.200 -91.000 TRP 221 1.040 13.578 -3.810 16.616 -99.200 -91.000 TRP6 221 1.020 13.714 -4.540 18.866 -99.200 -91.000 TYR 227 0.840 25.113 -7.532 10.042 -99.200 -91.000 TYR 234 0.840 12.996 -7.559 16.914 -99.200 -91.000 TYR 242 0.840 4.191 -12.573 9.358 -99.200 -91.000 TYR 249 0.840 11.232 -18.843 3.198 -99.200 -91.000 PHE 256 1.000 15.047 -15.873 0.345 -99.200 -91.000 PHE 257 1.000 18.806 -17.892 -4.041 -99.200 -91.000 PHE 260 1.000 12.634 -12.478 -3.899 -99.200 -91.000 PHE 264 1.000 10.812 -9.223 -7.479 -99.200 -91.000 PHE 274 1.000 0.582 -12.204 -17.900 -99.200 -91.000 PHE 282 1.000 9.509 -13.886 -23.214 -99.200 -91.000 PHE 284 1.000 14.241 -12.165 -20.068 -99.200 -91.000