============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 3 0.840 3.839 -18.113 45.760 -99.200 -91.000 TYR 20 0.840 -2.291 -42.987 35.578 -99.200 -91.000 HIS 30 0.900 -15.702 -50.395 40.386 -99.200 -91.000 PHE 31 1.000 -14.081 -51.661 33.576 -99.200 -91.000 PHE 38 1.000 -18.286 -63.166 33.485 -99.200 -91.000 PHE 48 1.000 -7.934 -56.554 32.377 -99.200 -91.000 PHE 55 1.000 -3.775 -49.476 42.632 -99.200 -91.000 HIS 58 0.900 1.830 -43.979 37.921 -99.200 -91.000 HIS 60 0.900 4.053 -48.322 47.061 -99.200 -91.000 PHE 61 1.000 5.019 -39.901 40.685 -99.200 -91.000 TYR 78 0.840 15.591 -31.388 42.741 -99.200 -91.000 PHE 81 1.000 7.436 -35.174 38.708 -99.200 -91.000 TYR 84 0.840 8.479 -43.331 42.660 -99.200 -91.000 PHE 88 1.000 6.682 -42.888 36.998 -99.200 -91.000 TYR 91 0.840 3.415 -45.621 32.458 -99.200 -91.000 TYR 94 0.840 -0.800 -50.248 29.493 -99.200 -91.000 HIS 104 0.900 -7.042 -62.041 23.255 -99.200 -91.000 PHE 131 1.000 -14.718 -41.670 30.829 -99.200 -91.000 TYR 147 0.840 3.689 -38.358 35.293 -99.200 -91.000 HIS 148 0.900 6.222 -33.892 27.599 -99.200 -91.000 HIS 157 0.900 2.588 -21.289 35.289 -99.200 -91.000 PHE 197 1.000 13.039 -58.894 7.176 -99.200 -91.000 TYR 211 0.840 24.247 -61.673 11.472 -99.200 -91.000 TYR 234 0.840 14.798 -61.109 -1.136 -99.200 -91.000 PHE 236 1.000 16.294 -61.469 4.001 -99.200 -91.000 TYR 252 0.840 13.580 -65.053 1.007 -99.200 -91.000 HIS 261 0.900 31.811 -55.741 12.952 -99.200 -91.000 PHE 263 1.000 34.015 -58.544 2.723 -99.200 -91.000 TRP 270 1.040 18.653 -57.218 -13.707 -99.200 -91.000 TRP6 270 1.020 18.476 -57.451 -11.361 -99.200 -91.000 HIS 272 0.900 21.406 -49.028 -13.522 -99.200 -91.000 PHE 274 1.000 26.608 -50.909 -3.698 -99.200 -91.000 TYR 285 0.840 30.977 -61.156 -1.434 -99.200 -91.000 PHE 288 1.000 27.002 -56.470 -11.779 -99.200 -91.000 PHE 289 1.000 21.934 -53.369 -5.611 -99.200 -91.000 TRP 298 1.040 19.560 -52.653 -2.254 -99.200 -91.000 TRP6 298 1.020 20.024 -54.451 -0.790 -99.200 -91.000 PHE 302 1.000 25.736 -52.714 1.439 -99.200 -91.000 TYR 310 0.840 34.146 -49.949 11.649 -99.200 -91.000 HIS 319 0.900 36.303 -43.038 25.936 -99.200 -91.000 PHE 321 1.000 32.760 -44.491 23.310 -99.200 -91.000 PHE 324 1.000 27.352 -54.261 25.654 -99.200 -91.000 PHE 326 1.000 24.826 -50.507 26.890 -99.200 -91.000 PHE 343 1.000 17.316 -54.751 18.520 -99.200 -91.000 TYR 344 0.840 23.463 -54.912 18.465 -99.200 -91.000 TYR 347 0.840 27.554 -46.883 18.886 -99.200 -91.000 TYR 350 0.840 38.023 -54.682 23.867 -99.200 -91.000 HIS 357 0.900 22.099 -41.384 25.001 -99.200 -91.000