============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TYR 1 0.840 -18.765 -17.652 -3.095 -99.200 -91.000 TYR 6 0.840 -18.537 -0.859 5.194 -99.200 -91.000 TYR 7 0.840 -9.909 1.396 10.725 -99.200 -91.000 TRP 10 1.040 -16.430 5.275 15.146 -99.200 -91.000 TRP6 10 1.020 -17.243 5.183 12.924 -99.200 -91.000 TYR 13 0.840 -10.164 9.573 17.642 -99.200 -91.000 PHE 21 1.000 -4.271 4.363 15.730 -99.200 -91.000 PHE 28 1.000 -1.690 -11.884 1.807 -99.200 -91.000 HIS 32 0.900 -13.399 -6.133 -3.024 -99.200 -91.000 TYR 35 0.840 -10.300 5.447 6.884 -99.200 -91.000 PHE 37 1.000 -19.568 5.679 7.443 -99.200 -91.000 TRP 48 1.040 -15.873 12.677 10.438 -99.200 -91.000 TRP6 48 1.020 -18.052 12.844 9.516 -99.200 -91.000 TRP 50 1.040 -6.501 13.866 14.681 -99.200 -91.000 TRP6 50 1.020 -4.139 13.758 14.641 -99.200 -91.000 TYR 56 0.840 -8.331 8.952 3.806 -99.200 -91.000 TRP 78 1.040 -23.706 6.846 13.137 -99.200 -91.000 TRP6 78 1.020 -22.633 4.868 12.422 -99.200 -91.000 PHE 80 1.000 -22.593 13.777 4.648 -99.200 -91.000 PHE 85 1.000 -24.658 10.789 0.774 -99.200 -91.000 PHE 98 1.000 -20.100 13.212 -3.581 -99.200 -91.000 PHE 105 1.000 -10.332 12.893 -0.515 -99.200 -91.000 HIS 109 0.900 -5.857 11.467 0.371 -99.200 -91.000 PHE 111 1.000 -9.279 5.339 0.475 -99.200 -91.000 TRP 118 1.040 -28.948 9.395 1.264 -99.200 -91.000 TRP6 118 1.020 -29.415 10.230 -0.893 -99.200 -91.000 TYR 120 0.840 -30.540 3.579 6.458 -99.200 -91.000 HIS 128 0.900 -33.603 14.214 -6.948 -99.200 -91.000 PHE 140 1.000 -16.186 6.363 -9.432 -99.200 -91.000 TYR 168 0.840 -31.906 2.167 -0.626 -99.200 -91.000 HIS 176 0.900 -26.123 2.685 -14.083 -99.200 -91.000 PHE 179 1.000 -18.580 -3.947 -3.292 -99.200 -91.000 TYR 185 0.840 -25.129 -4.871 9.707 -99.200 -91.000 PHE 187 1.000 -33.178 -7.805 8.877 -99.200 -91.000 HIS 188 0.900 -35.606 -5.899 18.984 -99.200 -91.000 TRP 191 1.040 -41.259 -0.753 16.473 -99.200 -91.000 TRP6 191 1.020 -42.697 -2.520 17.103 -99.200 -91.000 HIS 197 0.900 -29.733 -12.109 16.860 -99.200 -91.000 HIS 198 0.900 -28.294 -7.646 16.385 -99.200 -91.000 PHE 202 1.000 -33.639 -19.219 6.943 -99.200 -91.000 PHE 212 1.000 -42.962 -8.027 4.856 -99.200 -91.000 TYR 217 0.840 -39.439 -10.073 2.680 -99.200 -91.000 TYR 221 0.840 -39.024 -6.416 -1.406 -99.200 -91.000 PHE 239 1.000 -23.445 -4.438 15.046 -99.200 -91.000 PHE 243 1.000 -32.646 -5.560 23.215 -99.200 -91.000 PHE 265 1.000 -11.686 -2.632 26.285 -99.200 -91.000 TYR 274 0.840 -17.316 -12.774 18.804 -99.200 -91.000 TYR 275 0.840 -13.174 -5.280 21.381 -99.200 -91.000 PHE 280 1.000 -23.166 -10.282 28.716 -99.200 -91.000 HIS 282 0.900 -14.759 -15.801 30.213 -99.200 -91.000 HIS 287 0.900 -30.647 -19.294 27.066 -99.200 -91.000 PHE 289 1.000 -33.952 -15.682 19.880 -99.200 -91.000 TYR 296 0.840 -31.607 -15.872 23.913 -99.200 -91.000 TRP 303 1.040 -32.027 -11.498 26.238 -99.200 -91.000 TRP6 303 1.020 -32.04