============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 3 1.000 38.892 -15.679 -2.991 -99.200 -91.000 PHE 21 1.000 35.865 -24.490 -6.160 -99.200 -91.000 PHE 27 1.000 30.793 -29.771 -4.217 -99.200 -91.000 PHE 33 1.000 29.605 -39.113 3.983 -99.200 -91.000 TRP 35 1.040 28.161 -30.285 -0.811 -99.200 -91.000 TRP6 35 1.020 27.728 -28.186 -1.810 -99.200 -91.000 HIS 36 0.900 21.973 -36.023 -6.460 -99.200 -91.000 TYR 43 0.840 28.790 -32.199 -7.986 -99.200 -91.000 PHE 48 1.000 28.849 -24.740 8.451 -99.200 -91.000 TYR 64 0.840 23.785 -20.180 -9.733 -99.200 -91.000 PHE 71 1.000 33.582 -15.855 -1.147 -99.200 -91.000 TRP 75 1.040 28.221 -20.185 2.178 -99.200 -91.000 TRP6 75 1.020 27.809 -22.485 2.555 -99.200 -91.000 TYR 78 0.840 31.107 -26.224 2.970 -99.200 -91.000 PHE 79 1.000 32.453 -24.380 -1.595 -99.200 -91.000 TYR 82 0.840 39.870 -16.626 2.959 -99.200 -91.000 TYR 85 0.840 43.593 -27.122 -1.161 -99.200 -91.000 PHE 104 1.000 41.181 -40.083 -10.803 -99.200 -91.000 PHE 116 1.000 25.301 -32.813 16.642 -99.200 -91.000 PHE 122 1.000 33.383 -38.770 7.459 -99.200 -91.000 TYR 150 0.840 18.523 -23.437 -4.878 -99.200 -91.000 TYR 155 0.840 17.010 -28.863 -1.784 -99.200 -91.000 TYR 156 0.840 12.620 -31.564 5.298 -99.200 -91.000 PHE 158 1.000 23.231 -33.754 10.967 -99.200 -91.000 HIS 165 0.900 19.149 -35.386 24.875 -99.200 -91.000 PHE 167 1.000 16.535 -38.108 15.450 -99.200 -91.000 PHE 172 1.000 20.116 -41.270 16.366 -99.200 -91.000 PHE 179 1.000 27.212 -51.815 12.818 -99.200 -91.000 TYR 183 0.840 28.633 -48.305 18.091 -99.200 -91.000 TYR 192 0.840 20.357 -32.070 25.992 -99.200 -91.000 TYR 200 0.840 39.184 -28.567 25.900 -99.200 -91.000 HIS 210 0.900 43.417 -40.208 16.396 -99.200 -91.000 PHE 216 1.000 32.219 -37.515 20.949 -99.200 -91.000 PHE 230 1.000 37.260 -35.739 5.478 -99.200 -91.000 TYR 235 0.840 44.370 -28.846 7.033 -99.200 -91.000 PHE 238 1.000 47.795 -41.651 5.374 -99.200 -91.000 TRP 243 1.040 37.540 -47.457 -1.340 -99.200 -91.000 TRP6 243 1.020 37.829 -48.889 -3.203 -99.200 -91.000 TYR 252 0.840 54.089 -44.335 -0.121 -99.200 -91.000 PHE 265 1.000 55.458 -45.807 5.107 -99.200 -91.000 PHE 270 1.000 52.312 -39.479 2.504 -99.200 -91.000 PHE 276 1.000 45.785 -30.410 2.880 -99.200 -91.000 TYR 280 0.840 45.690 -34.281 -3.610 -99.200 -91.000 PHE 282 1.000 37.995 -42.441 -0.078 -99.200 -91.000 TYR 283 0.840 38.364 -38.149 -6.953 -99.200 -91.000 TYR 284 0.840 45.056 -43.542 -9.309 -99.200 -91.000