============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. HIS 16 0.900 74.807 -1.387 -12.863 -99.200 -91.000 TYR 30 0.840 65.984 13.223 5.154 -99.200 -91.000 TYR 36 0.840 76.937 6.905 8.684 -99.200 -91.000 TYR 37 0.840 69.713 4.680 7.608 -99.200 -91.000 PHE 62 1.000 80.841 0.093 1.790 -99.200 -91.000 TRP 72 1.040 81.775 7.188 14.485 -99.200 -91.000 TRP6 72 1.020 80.941 6.317 12.478 -99.200 -91.000 TYR 78 0.840 86.909 -1.389 6.456 -99.200 -91.000 PHE 91 1.000 78.328 -16.382 8.793 -99.200 -91.000 PHE 97 1.000 85.448 -9.887 12.362 -99.200 -91.000 TYR 112 0.840 66.492 -5.441 10.258 -99.200 -91.000 TYR 113 0.840 62.981 4.042 13.905 -99.200 -91.000 HIS 115 0.900 58.787 1.095 22.362 -99.200 -91.000 PHE 117 1.000 66.042 -3.478 15.504 -99.200 -91.000 HIS 118 0.900 66.653 -1.689 24.411 -99.200 -91.000 PHE 134 1.000 65.656 -11.202 14.869 -99.200 -91.000 TYR 136 0.840 58.476 -6.657 8.728 -99.200 -91.000 HIS 137 0.900 51.931 -10.862 6.515 -99.200 -91.000 TYR 144 0.840 62.726 -10.071 0.907 -99.200 -91.000 PHE 149 1.000 56.649 -19.171 11.543 -99.200 -91.000 TYR 169 0.840 54.612 -14.151 9.365 -99.200 -91.000 TYR 175 0.840 70.434 -13.801 7.719 -99.200 -91.000 PHE 176 1.000 71.724 -11.268 16.399 -99.200 -91.000 TYR 177 0.840 74.150 -17.742 11.440 -99.200 -91.000 TYR 205 0.840 73.110 -22.848 13.263 -99.200 -91.000 TYR 220 0.840 60.290 -4.357 16.175 -99.200 -91.000 TRP 222 1.040 63.840 -6.298 6.791 -99.200 -91.000 TRP6 222 1.020 63.047 -8.006 5.380 -99.200 -91.000 HIS 228 0.900 66.338 2.322 -9.864 -99.200 -91.000 PHE 237 1.000 59.230 4.158 8.087 -99.200 -91.000 TYR 257 0.840 77.042 11.075 24.837 -99.200 -91.000 TRP 261 1.040 80.153 0.781 23.179 -99.200 -91.000 TRP6 261 1.020 79.110 -0.162 21.305 -99.200 -91.000 TYR 279 0.840 74.848 12.904 11.166 -99.200 -91.000 TYR 282 0.840 70.398 14.205 16.355 -99.200 -91.000 TYR 292 0.840 63.655 10.944 29.583 -99.200 -91.000