============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. TYR 9 0.840 -28.948 99.517 -18.807 -99.200 -91.000 TYR 23 0.840 -20.928 90.259 0.442 -99.200 -91.000 TYR 40 0.840 -13.185 95.708 -8.701 -99.200 -91.000 TRP 43 1.040 -10.403 102.957 -12.392 -99.200 -91.000 TRP6 43 1.020 -8.928 101.109 -12.297 -99.200 -91.000 HIS 44 0.900 -16.372 98.217 -10.998 -99.200 -91.000 TYR 47 0.840 -19.337 102.010 -16.878 -99.200 -91.000 PHE 54 1.000 -22.166 110.156 -21.623 -99.200 -91.000 PHE 59 1.000 -28.179 107.323 -11.140 -99.200 -91.000 PHE 70 1.000 -31.697 89.045 -3.198 -99.200 -91.000 TYR 75 0.840 -21.881 85.522 1.091 -99.200 -91.000 TYR 78 0.840 -16.634 86.849 -2.710 -99.200 -91.000 PHE 91 1.000 -4.433 81.122 -20.829 -99.200 -91.000 PHE 118 1.000 -1.883 89.559 -15.226 -99.200 -91.000 HIS 120 0.900 4.818 92.269 -22.417 -99.200 -91.000 TYR 123 0.840 -10.622 92.698 -21.422 -99.200 -91.000 TYR 128 0.840 -26.898 92.750 -29.507 -99.200 -91.000 PHE 161 1.000 -10.794 97.512 -33.618 -99.200 -91.000 TYR 168 0.840 -10.945 98.455 -23.661 -99.200 -91.000 TYR 204 0.840 -29.351 87.049 -21.321 -99.200 -91.000 HIS 206 0.900 -33.329 81.284 -30.159 -99.200 -91.000 PHE 221 1.000 -8.540 83.496 -31.259 -99.200 -91.000 HIS 223 0.900 -1.969 75.352 -28.237 -99.200 -91.000 TRP 226 1.040 -15.792 80.209 -24.059 -99.200 -91.000 TRP6 226 1.020 -16.037 80.391 -26.399 -99.200 -91.000 TYR 229 0.840 -21.793 83.131 -13.480 -99.200 -91.000 PHE 241 1.000 -32.429 78.977 -10.980 -99.200 -91.000 TYR 263 0.840 -26.788 73.169 -23.930 -99.200 -91.000 TYR 269 0.840 -22.886 76.351 -19.680 -99.200 -91.000 TRP 273 1.040 -17.149 76.012 -24.469 -99.200 -91.000 TRP6 273 1.020 -19.191 76.370 -23.326 -99.200 -91.000 TRP 285 1.040 -22.910 74.612 -2.025 -99.200 -91.000 TRP6 285 1.020 -23.260 76.330 -0.425 -99.200 -91.000 PHE 288 1.000 -19.744 79.581 0.381 -99.200 -91.000 PHE 305 1.000 -24.710 85.744 9.824 -99.200 -91.000 HIS 318 0.900 -30.870 75.822 -9.434 -99.200 -91.000 TYR 319 0.840 -26.994 81.990 -11.558 -99.200 -91.000 TRP 326 1.040 -8.341 76.175 -28.028 -99.200 -91.000 TRP6 326 1.020 -9.769 77.626 -26.792 -99.200 -91.000