============================================================================= 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. TYR 4 0.840 -6.410 -6.122 4.306 -99.200 -91.000 TYR 14 0.840 -14.966 5.127 12.853 -99.200 -91.000 HIS 21 0.900 -11.483 24.752 30.150 -99.200 -91.000 TYR 22 0.840 -18.780 21.459 28.289 -99.200 -91.000 PHE 23 1.000 -14.131 29.015 29.328 -99.200 -91.000 TYR 35 0.840 -14.953 13.762 23.113 -99.200 -91.000 TYR 53 0.840 -24.009 -4.629 7.649 -99.200 -91.000 TRP 56 1.040 -15.758 -1.645 19.580 -99.200 -91.000 TRP6 56 1.020 -13.488 -1.025 19.764 -99.200 -91.000 TYR 58 0.840 -13.417 1.327 24.405 -99.200 -91.000 TRP 73 1.040 -19.082 5.742 27.266 -99.200 -91.000 TRP6 73 1.020 -18.159 7.264 28.844 -99.200 -91.000 PHE 78 1.000 -23.787 -1.758 13.622 -99.200 -91.000 PHE 83 1.000 -30.484 -10.078 3.477 -99.200 -91.000 PHE 89 1.000 -31.436 -9.396 11.232 -99.200 -91.000 TYR 91 0.840 -28.804 -9.120 18.552 -99.200 -91.000 TYR 95 0.840 -27.086 6.155 17.063 -99.200 -91.000 TYR 99 0.840 -29.686 9.893 16.342 -99.200 -91.000 TRP 104 1.040 -34.817 14.313 9.066 -99.200 -91.000 TRP6 104 1.020 -33.368 12.618 8.302 -99.200 -91.000 PHE 111 1.000 -23.292 23.335 25.123 -99.200 -91.000 TYR 116 0.840 -32.775 12.420 21.356 -99.200 -91.000 PHE 121 1.000 -38.668 2.525 27.880 -99.200 -91.000 TYR 132 0.840 -36.153 -5.764 6.131 -99.200 -91.000 PHE 137 1.000 -42.644 -0.150 -1.118 -99.200 -91.000 PHE 138 1.000 -39.502 -4.642 -1.114 -99.200 -91.000 PHE 146 1.000 -40.131 -0.900 4.782 -99.200 -91.000 TYR 150 0.840 -38.780 -8.150 20.191 -99.200 -91.000 PHE 176 1.000 -44.257 -2.640 17.249 -99.200 -91.000 TYR 182 0.840 -41.523 10.401 -1.163 -99.200 -91.000 PHE 185 1.000 -38.622 17.873 -7.757 -99.200 -91.000 PHE 192 1.000 -45.606 8.002 12.467 -99.200 -91.000 TYR 194 0.840 -46.316 3.370 17.573 -99.200 -91.000 HIS 213 0.900 -48.192 -1.833 26.853 -99.200 -91.000 TYR 217 0.840 -48.263 7.801 19.235 -99.200 -91.000 TYR 223 0.840 -34.340 24.018 1.439 -99.200 -91.000 TYR 229 0.840 -29.607 20.596 8.165 -99.200 -91.000 TYR 234 0.840 -45.053 17.905 18.695 -99.200 -91.000 TYR 238 0.840 -49.176 9.579 25.075 -99.200 -91.000 PHE 248 1.000 -38.973 6.248 32.912 -99.200 -91.000 PHE 255 1.000 -40.718 23.191 17.775 -99.200 -91.000 TYR 261 0.840 -25.192 30.875 3.703 -99.200 -91.000 PHE 263 1.000 -20.925 33.083 5.676 -99.200 -91.000 PHE 265 1.000 -15.690 32.882 4.813 -99.200 -91.000 TYR 273 0.840 -37.202 27.459 21.828 -99.200 -91.000 TYR 284 0.840 -42.626 17.816 42.175 -99.200 -91.000 TYR 292 0.840 -30.444 23.830 25.277 -99.200 -91.000 TYR 299 0.840 -12.093 28.621 9.489 -99.200 -91.000 TYR 300 0.840 -16.586 22.175 9.195 -99.200 -91.000 PHE 301 1.000 -8.234 25.657 11.270 -99.200 -91.000 TYR 308 0.840 -16.043 22.326 19.063 -99.200 -91.000 TYR 311 0.840 -23.908 32.324 25.587 -99.200 -91.000 PHE 321 1.000 -39.823 18.784 37.731 -99.200 -91.000 TYR 339 0.840 -5.690 14.428 13.230 -99.200 -91.000 PHE 341 1.000 -7.917 8.433 13.698 -99.200 -91.000