============================================================================= 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 7 0.840 -0.822 127.946 29.048 -99.200 -91.000 HIS 8 0.900 -5.995 123.395 35.187 -99.200 -91.000 HIS 28 0.900 -2.800 119.161 37.871 -99.200 -91.000 HIS 37 0.900 9.621 107.076 62.029 -99.200 -91.000 TRP 60 1.040 17.981 84.240 73.157 -99.200 -91.000 TRP6 60 1.020 18.216 84.223 70.804 -99.200 -91.000 TRP 76 1.040 13.801 85.190 65.812 -99.200 -91.000 TRP6 76 1.020 14.366 83.247 67.028 -99.200 -91.000 TYR 78 0.840 11.822 93.061 63.779 -99.200 -91.000 TYR 91 0.840 34.614 83.228 85.395 -99.200 -91.000 PHE 95 1.000 29.879 83.522 72.499 -99.200 -91.000 TYR 98 0.840 28.886 87.927 70.419 -99.200 -91.000 PHE 111 1.000 16.079 79.062 69.626 -99.200 -91.000 PHE 114 1.000 18.596 68.933 71.687 -99.200 -91.000 PHE 117 1.000 26.179 65.950 75.910 -99.200 -91.000 TRP 123 1.040 27.107 65.800 82.711 -99.200 -91.000 TRP6 123 1.020 28.977 65.423 81.311 -99.200 -91.000 HIS 126 0.900 33.781 63.589 85.719 -99.200 -91.000 TYR 137 0.840 17.648 84.442 89.853 -99.200 -91.000 PHE 143 1.000 28.640 78.788 84.837 -99.200 -91.000 TYR 144 0.840 27.209 81.940 81.533 -99.200 -91.000 TRP 149 1.040 32.741 75.300 86.703 -99.200 -91.000 TRP6 149 1.020 33.103 77.481 87.531 -99.200 -91.000 TYR 157 0.840 37.079 66.527 86.041 -99.200 -91.000 TYR 164 0.840 22.773 65.345 70.082 -99.200 -91.000 TRP 176 1.040 33.077 73.823 73.953 -99.200 -91.000 TRP6 176 1.020 32.624 73.597 71.649 -99.200 -91.000 HIS 179 0.900 37.594 78.369 85.660 -99.200 -91.000 HIS 180 0.900 41.784 78.974 79.699 -99.200 -91.000 TYR 191 0.840 38.154 72.415 86.655 -99.200 -91.000 TYR 197 0.840 42.910 65.549 77.262 -99.200 -91.000 TYR 205 0.840 35.256 72.446 66.790 -99.200 -91.000 PHE 209 1.000 39.205 74.384 72.848 -99.200 -91.000 TYR 228 0.840 31.731 82.171 78.071 -99.200 -91.000 TYR 229 0.840 36.503 77.954 72.792 -99.200 -91.000 TRP 230 1.040 30.187 79.952 67.685 -99.200 -91.000 TRP6 230 1.020 29.652 79.552 65.417 -99.200 -91.000 PHE 241 1.000 31.343 69.023 73.865 -99.200 -91.000 TRP 251 1.040 21.422 71.028 81.675 -99.200 -91.000 TRP6 251 1.020 20.917 72.317 83.633 -99.200 -91.000 TYR 252 0.840 18.516 72.811 79.243 -99.200 -91.000 PHE 254 1.000 19.872 77.259 72.121 -99.200 -91.000 HIS 272 0.900 3.268 100.415 70.861 -99.200 -91.000 HIS 282 0.900 15.701 106.377 63.247 -99.200 -91.000 PHE 291 1.000 14.077 106.767 44.517 -99.200 -91.000 HIS 295 0.900 18.362 103.244 60.263 -99.200 -91.000 TYR 305 0.840 19.090 105.964 53.847 -99.200 -91.000