============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. PHE 8 1.000 -4.201 33.938 -13.982 -99.200 -91.000 HIS 10 0.900 -11.021 43.101 -11.973 -99.200 -91.000 PHE 11 1.000 -7.376 39.497 -5.674 -99.200 -91.000 HIS 12 0.900 -16.087 34.192 -8.463 -99.200 -91.000 PHE 16 1.000 -13.211 34.640 4.706 -99.200 -91.000 TRP 17 1.040 -13.187 25.259 3.712 -99.200 -91.000 TRP6 17 1.020 -11.926 23.260 3.484 -99.200 -91.000 PHE 27 1.000 -17.058 39.851 13.231 -99.200 -91.000 TYR 28 0.840 -16.062 38.227 7.839 -99.200 -91.000 PHE 34 1.000 -18.314 41.890 2.987 -99.200 -91.000 TYR 39 0.840 -28.278 28.152 3.097 -99.200 -91.000 HIS 52 0.900 -24.996 30.728 6.056 -99.200 -91.000 PHE 61 1.000 -14.710 38.767 2.446 -99.200 -91.000 TRP 70 1.040 -16.848 12.152 14.753 -99.200 -91.000 TRP6 70 1.020 -15.085 12.909 16.133 -99.200 -91.000 HIS 77 0.900 -8.275 25.002 6.596 -99.200 -91.000 HIS 81 0.900 -4.802 26.392 8.533 -99.200 -91.000 PHE 90 1.000 -6.146 34.311 -8.563 -99.200 -91.000 TYR 97 0.840 -1.900 29.227 -21.919 -99.200 -91.000 TRP 114 1.040 -16.383 21.139 -11.603 -99.200 -91.000 TRP6 114 1.020 -14.637 22.044 -10.261 -99.200 -91.000 PHE 120 1.000 -30.208 32.559 -13.334 -99.200 -91.000 PHE 125 1.000 -17.062 26.656 -10.946 -99.200 -91.000 TYR 131 0.840 -0.178 31.514 0.212 -99.200 -91.000 HIS 136 0.900 -4.667 31.294 -5.621 -99.200 -91.000 TYR 144 0.840 -23.855 31.652 -14.007 -99.200 -91.000 PHE 148 1.000 -21.181 32.845 -5.510 -99.200 -91.000 TYR 152 0.840 -22.512 28.230 -4.114 -99.200 -91.000 PHE 157 1.000 -33.378 36.517 8.806 -99.200 -91.000 HIS 175 0.900 -3.316 44.972 -0.491 -99.200 -91.000 TRP 191 1.040 2.437 27.407 -6.829 -99.200 -91.000 TRP6 191 1.020 0.426 28.398 -7.548 -99.200 -91.000 TYR 192 0.840 0.835 32.993 -6.319 -99.200 -91.000 PHE 198 1.000 -0.578 35.922 -10.851 -99.200 -91.000 HIS 199 0.900 4.029 41.491 -13.655 -99.200 -91.000 PHE 201 1.000 2.597 46.201 -8.512 -99.200 -91.000 TRP 202 1.040 6.776 48.018 -3.759 -99.200 -91.000 TRP6 202 1.020 6.278 47.759 -1.466 -99.200 -91.000 HIS 210 0.900 14.386 48.800 10.551 -99.200 -91.000 TYR 213 0.840 11.793 46.516 20.748 -99.200 -91.000 TYR 224 0.840 1.337 41.741 -19.778 -99.200 -91.000 TYR 247 0.840 -0.917 33.850 9.261 -99.200 -91.000 TYR 250 0.840 -0.763 32.214 18.632 -99.200 -91.000 HIS 258 0.900 -2.819 42.624 4.923 -99.200 -91.000 HIS 272 0.900 -21.276 55.721 7.487 -99.200 -91.000 PHE 280 1.000 -11.274 49.975 11.426 -99.200 -91.000 TYR 287 0.840 1.450 58.408 10.591 -99.200 -91.000 TYR 288 0.840 -2.601 60.531 12.292 -99.200 -91.000 TYR 318 0.840 3.986 61.967 0.902 -99.200 -91.000 TYR 323 0.840 -3.659 61.317 -1.364 -99.200 -91.000 PHE 328 1.000 -2.465 46.182 8.162 -99.200 -91.000 PHE 339 1.000 -3.822 41.998 9.582 -99.200 -91.000 HIS 346 0.900 -7.454 59.988 -3.166 -99.200 -91.000 HIS 348 0.900 1.269 54.664 -4.765 -99.200 -91.000 PHE 351 1.000 0.