============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 2 1.000 33.723 -14.125 10.959 -99.200 -91.000 TRP 13 1.040 22.673 -16.872 9.504 -99.200 -91.000 TRP6 13 1.020 24.596 -15.903 8.498 -99.200 -91.000 TYR 17 0.840 19.606 -21.849 10.607 -99.200 -91.000 TYR 36 0.840 29.808 -14.950 6.648 -99.200 -91.000 TRP 47 1.040 25.136 -19.897 24.347 -99.200 -91.000 TRP6 47 1.020 26.113 -17.930 23.437 -99.200 -91.000 TRP 57 1.040 29.229 -12.010 30.140 -99.200 -91.000 TRP6 57 1.020 31.014 -11.324 28.743 -99.200 -91.000 TYR 64 0.840 31.841 -13.885 17.156 -99.200 -91.000 TYR 82 0.840 37.170 -8.839 46.807 -99.200 -91.000 PHE 86 1.000 40.555 -3.947 45.432 -99.200 -91.000 PHE 104 1.000 36.330 -1.416 30.008 -99.200 -91.000 TYR 115 0.840 38.939 -4.359 25.725 -99.200 -91.000 HIS 128 0.900 28.438 -7.719 18.573 -99.200 -91.000 PHE 147 1.000 51.091 -1.229 28.722 -99.200 -91.000 TYR 150 0.840 46.421 2.576 21.504 -99.200 -91.000 PHE 157 1.000 40.191 8.267 30.674 -99.200 -91.000 HIS 158 0.900 45.864 12.226 36.499 -99.200 -91.000 TYR 161 0.840 40.052 3.590 41.061 -99.200 -91.000 TYR 163 0.840 42.163 -5.456 36.169 -99.200 -91.000 TYR 172 0.840 53.099 -16.122 36.735 -99.200 -91.000 PHE 191 1.000 51.526 11.093 33.659 -99.200 -91.000 TRP 205 1.040 59.117 -11.984 52.133 -99.200 -91.000 TRP6 205 1.020 58.236 -10.115 53.287 -99.200 -91.000 HIS 213 0.900 55.827 4.270 45.521 -99.200 -91.000 HIS 218 0.900 41.945 -6.781 49.040 -99.200 -91.000 HIS 223 0.900 32.893 -20.750 41.922 -99.200 -91.000 HIS 247 0.900 42.555 -6.218 52.919 -99.200 -91.000 PHE 259 1.000 42.690 -13.519 60.001 -99.200 -91.000 PHE 261 1.000 48.005 -12.280 57.302 -99.200 -91.000 TYR 272 0.840 52.619 -24.248 67.245 -99.200 -91.000 TYR 279 0.840 32.770 -26.812 69.775 -99.200 -91.000 TYR 281 0.840 37.376 -23.913 65.789 -99.200 -91.000 HIS 284 0.900 39.283 -18.634 53.995 -99.200 -91.000 PHE 293 1.000 50.726 -21.026 57.070 -99.200 -91.000 TYR 298 0.840 48.006 -12.801 69.804 -99.200 -91.000 HIS 306 0.900 54.239 -30.023 63.713 -99.200 -91.000 HIS 310 0.900 49.768 -24.881 57.984 -99.200 -91.000 TYR 312 0.840 44.357 -22.610 63.190 -99.200 -91.000 TYR 317 0.840 30.127 -22.987 67.421 -99.200 -91.000 PHE 321 1.000 38.510 -21.522 61.576 -99.200 -91.000 PHE 326 1.000 35.521 -30.479 59.979 -99.200 -91.000 PHE 334 1.000 48.430 -43.764 60.111 -99.200 -91.000 PHE 356 1.000 47.781 -39.392 58.416 -99.200 -91.000