============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 7 1.000 -39.381 54.334 -7.239 -99.200 -91.000 PHE 8 1.000 -40.174 48.308 -13.215 -99.200 -91.000 TYR 11 0.840 -47.587 47.892 -10.778 -99.200 -91.000 TYR 12 0.840 -44.258 43.554 -12.159 -99.200 -91.000 PHE 28 1.000 -47.796 33.152 -17.558 -99.200 -91.000 PHE 33 1.000 -35.555 45.654 -13.533 -99.200 -91.000 TYR 38 0.840 -37.458 38.661 -24.099 -99.200 -91.000 HIS 41 0.900 -38.735 27.424 -23.442 -99.200 -91.000 PHE 44 1.000 -44.924 31.462 -13.514 -99.200 -91.000 TYR 53 0.840 -40.197 32.844 -11.788 -99.200 -91.000 HIS 62 0.900 -38.868 45.396 -21.380 -99.200 -91.000 PHE 64 1.000 -43.031 40.419 -23.185 -99.200 -91.000 TYR 65 0.840 -51.145 36.409 -21.472 -99.200 -91.000 TYR 70 0.840 -47.782 26.846 -26.952 -99.200 -91.000 TRP 83 1.040 -51.127 26.980 -31.555 -99.200 -91.000 TRP6 83 1.020 -52.611 26.888 -33.383 -99.200 -91.000 PHE 90 1.000 -56.108 42.352 -35.822 -99.200 -91.000 HIS 96 0.900 -43.171 51.328 -40.815 -99.200 -91.000 PHE 105 1.000 -27.478 59.958 -24.593 -99.200 -91.000 TYR 128 0.840 -35.609 61.292 -25.280 -99.200 -91.000 PHE 154 1.000 -62.741 40.234 -40.126 -99.200 -91.000 TYR 161 0.840 -56.028 44.811 -22.845 -99.200 -91.000 PHE 162 1.000 -50.126 53.793 -23.330 -99.200 -91.000 PHE 168 1.000 -53.637 53.643 -27.507 -99.200 -91.000 HIS 169 0.900 -52.330 43.595 -28.030 -99.200 -91.000 TYR 175 0.840 -61.548 32.956 -24.019 -99.200 -91.000 TYR 192 0.840 -61.919 43.134 -44.538 -99.200 -91.000 TYR 201 0.840 -65.857 48.694 -52.539 -99.200 -91.000 TRP 211 1.040 -62.253 47.186 -45.975 -99.200 -91.000 TRP6 211 1.020 -61.497 49.258 -45.146 -99.200 -91.000 HIS 243 0.900 -42.694 49.358 -22.584 -99.200 -91.000 PHE 259 1.000 -54.432 56.491 -23.348 -99.200 -91.000 PHE 261 1.000 -47.789 60.217 -24.312 -99.200 -91.000 PHE 268 1.000 -42.983 52.828 -10.615 -99.200 -91.000 TYR 271 0.840 -42.291 65.326 -5.623 -99.200 -91.000 PHE 274 1.000 -33.207 62.063 -15.228 -99.200 -91.000 TYR 277 0.840 -27.104 58.818 -18.562 -99.200 -91.000 TYR 306 0.840 -41.439 58.536 -20.316 -99.200 -91.000 HIS 308 0.900 -32.669 55.051 -14.418 -99.200 -91.000 TYR 318 0.840 -39.277 57.099 -2.786 -99.200 -91.000