============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. PHE 11 1.000 -9.987 12.090 -42.106 -99.200 -91.000 PHE 40 1.000 -8.049 7.041 -29.242 -99.200 -91.000 PHE 42 1.000 -4.721 11.107 -33.851 -99.200 -91.000 TYR 51 0.840 -4.477 10.702 -28.154 -99.200 -91.000 PHE 67 1.000 5.349 3.344 -19.991 -99.200 -91.000 PHE 77 1.000 5.390 23.516 -33.833 -99.200 -91.000 PHE 81 1.000 5.821 30.990 -26.402 -99.200 -91.000 PHE 87 1.000 3.649 22.165 -19.219 -99.200 -91.000 TRP 90 1.040 13.436 16.896 -24.231 -99.200 -91.000 TRP6 90 1.020 11.958 15.198 -25.011 -99.200 -91.000 HIS 92 0.900 16.837 14.111 -21.993 -99.200 -91.000 TRP 96 1.040 12.521 18.833 -14.805 -99.200 -91.000 TRP6 96 1.020 12.875 17.152 -13.190 -99.200 -91.000 HIS 100 0.900 11.724 18.583 -9.010 -99.200 -91.000 PHE 107 1.000 6.034 27.163 -7.607 -99.200 -91.000 TYR 115 0.840 4.324 32.032 -2.793 -99.200 -91.000 HIS 116 0.900 -4.073 33.617 3.209 -99.200 -91.000 TRP 130 1.040 -17.320 39.852 -9.658 -99.200 -91.000 TRP6 130 1.020 -17.307 37.508 -9.229 -99.200 -91.000 HIS 138 0.900 -23.477 40.451 -18.435 -99.200 -91.000 PHE 158 1.000 6.904 35.730 -11.367 -99.200 -91.000 TYR 160 0.840 4.671 43.909 -14.079 -99.200 -91.000 PHE 162 1.000 1.268 40.490 -15.494 -99.200 -91.000 PHE 165 1.000 -9.835 41.881 -10.758 -99.200 -91.000 TYR 166 0.840 -6.667 49.387 -10.679 -99.200 -91.000 HIS 171 0.900 1.081 44.318 -18.880 -99.200 -91.000 PHE 173 1.000 4.339 38.678 -20.325 -99.200 -91.000 TYR 198 0.840 1.993 29.146 -43.511 -99.200 -91.000 PHE 205 1.000 6.414 32.081 -32.210 -99.200 -91.000 HIS 236 0.900 12.004 32.083 -2.071 -99.200 -91.000 TYR 256 0.840 14.304 30.417 -21.904 -99.200 -91.000 PHE 261 1.000 7.416 29.343 -12.160 -99.200 -91.000 HIS 266 0.900 -4.086 34.166 -19.825 -99.200 -91.000 PHE 275 1.000 -14.524 23.945 -17.515 -99.200 -91.000 TYR 278 0.840 -21.471 24.535 -16.407 -99.200 -91.000 PHE 279 1.000 -19.154 20.825 -13.723 -99.200 -91.000 HIS 285 0.900 -31.010 20.942 -3.581 -99.200 -91.000 TYR 305 0.840 -1.766 28.241 5.254 -99.200 -91.000 TYR 313 0.840 -19.539 20.308 -0.295 -99.200 -91.000 TRP 325 1.040 -15.922 19.518 -18.320 -99.200 -91.000 TRP6 325 1.020 -15.339 18.461 -20.360 -99.200 -91.000 PHE 331 1.000 -0.113 12.930 -17.664 -99.200 -91.000 TYR 334 0.840 10.957 9.228 -23.001 -99.200 -91.000 TYR 345 0.840 -3.284 -3.165 -25.759 -99.200 -91.000 HIS 361 0.900 -9.522 13.150 -13.827 -99.200 -91.000 TRP 367 1.040 -13.596 8.226 -11.199 -99.200 -91.000 TRP6 367 1.020 -12.877 9.472 -9.295 -99.200 -91.000 PHE 374 1.000 -19.398 19.930 -9.188 -99.200 -91.000 PHE 379 1.000 -12.622 14.003 -5.881 -99.200 -91.000 HIS 388 0.900 -0.152 6.305 -10.421 -99.200 -91.000 PHE 390 1.000 -8.699 14.192 -8.778 -99.200 -91.000 PHE 393 1.000 -3.529 20.173 -9.625 -99.200 -91.000 PHE 405 1.000 0.591 30.886 -6.585 -99.200 -91.000 HIS 408 0.900 -3.845 29.126 0.523 -99.200 -91.000 HIS 420 0.900