============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 3 1.000 -6.736 -14.714 66.877 -99.200 -91.000 PHE 21 1.000 -23.390 -27.741 80.539 -99.200 -91.000 HIS 32 0.900 -27.800 -45.725 77.037 -99.200 -91.000 HIS 33 0.900 -21.784 -40.673 74.451 -99.200 -91.000 PHE 47 1.000 -9.308 -49.336 55.800 -99.200 -91.000 PHE 48 1.000 -8.491 -52.456 59.989 -99.200 -91.000 TYR 52 0.840 0.223 -58.561 56.993 -99.200 -91.000 TYR 60 0.840 3.868 -44.545 46.710 -99.200 -91.000 TYR 61 0.840 3.996 -35.800 49.332 -99.200 -91.000 HIS 63 0.900 -2.387 -38.483 39.354 -99.200 -91.000 TRP 68 1.040 -5.872 -46.228 36.674 -99.200 -91.000 TRP6 68 1.020 -6.970 -44.408 35.648 -99.200 -91.000 PHE 74 1.000 -14.257 -43.678 45.937 -99.200 -91.000 TYR 77 0.840 -20.671 -47.722 45.484 -99.200 -91.000 TYR 78 0.840 -21.022 -43.303 42.612 -99.200 -91.000 PHE 103 1.000 -9.459 -29.918 47.062 -99.200 -91.000 PHE 105 1.000 -19.295 -25.442 49.657 -99.200 -91.000 PHE 121 1.000 -26.741 -25.647 56.382 -99.200 -91.000 TYR 122 0.840 -21.974 -32.791 57.518 -99.200 -91.000 TYR 125 0.840 -23.062 -29.845 53.256 -99.200 -91.000 PHE 128 1.000 -16.217 -28.991 54.950 -99.200 -91.000 PHE 146 1.000 -37.634 -31.246 57.691 -99.200 -91.000 PHE 155 1.000 -34.982 -18.092 49.180 -99.200 -91.000 TYR 176 0.840 -35.024 -33.704 48.322 -99.200 -91.000 TYR 182 0.840 -37.976 -28.071 40.559 -99.200 -91.000 HIS 190 0.900 -32.234 -19.422 37.340 -99.200 -91.000 PHE 193 1.000 -20.328 -25.619 37.735 -99.200 -91.000 TYR 200 0.840 -25.354 -39.945 55.922 -99.200 -91.000 PHE 205 1.000 -33.357 -46.949 56.231 -99.200 -91.000 PHE 209 1.000 -29.445 -42.353 46.232 -99.200 -91.000 PHE 229 1.000 -17.758 -49.080 51.581 -99.200 -91.000 HIS 249 0.900 -10.701 -24.593 35.950 -99.200 -91.000 PHE 277 1.000 -20.239 -53.813 53.864 -99.200 -91.000 PHE 278 1.000 -22.117 -52.084 49.420 -99.200 -91.000 PHE 280 1.000 -24.684 -57.043 59.070 -99.200 -91.000 TYR 285 0.840 -26.552 -47.881 59.942 -99.200 -91.000 HIS 299 0.900 -41.891 -44.472 75.540 -99.200 -91.000 PHE 304 1.000 -42.622 -39.945 65.117 -99.200 -91.000 PHE 311 1.000 -25.859 -43.263 60.250 -99.200 -91.000 TYR 312 0.840 -27.583 -38.589 60.810 -99.200 -91.000 PHE 325 1.000 -35.298 -33.069 76.927 -99.200 -91.000 TRP 328 1.040 -33.256 -30.950 83.562 -99.200 -91.000 TRP6 328 1.020 -34.392 -33.003 83.327 -99.200 -91.000 PHE 332 1.000 -33.846 -38.228 83.707 -99.200 -91.000 PHE 345 1.000 -27.558 -30.803 62.642 -99.200 -91.000 TYR 346 0.840 -33.713 -25.511 61.050 -99.200 -91.000 PHE 379 1.000 -36.921 -29.552 80.375 -99.200 -91.000