============================================================================= 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 10 1.000 0.557 42.990 59.446 -99.200 -91.000 TRP 30 1.040 -3.163 32.984 53.333 -99.200 -91.000 TRP6 30 1.020 -5.218 33.129 52.162 -99.200 -91.000 HIS 37 0.900 3.619 47.563 59.751 -99.200 -91.000 TRP 42 1.040 4.908 42.285 49.986 -99.200 -91.000 TRP6 42 1.020 4.711 42.832 47.691 -99.200 -91.000 TYR 48 0.840 17.027 40.899 50.309 -99.200 -91.000 PHE 59 1.000 20.366 39.023 53.776 -99.200 -91.000 TYR 67 0.840 22.079 45.483 41.889 -99.200 -91.000 HIS 73 0.900 33.241 39.727 36.981 -99.200 -91.000 PHE 75 1.000 26.790 47.236 33.619 -99.200 -91.000 HIS 79 0.900 36.398 40.382 26.158 -99.200 -91.000 TRP 86 1.040 22.362 47.370 27.813 -99.200 -91.000 TRP6 86 1.020 22.449 47.750 30.142 -99.200 -91.000 HIS 87 0.900 22.166 46.989 22.497 -99.200 -91.000 HIS 99 0.900 -0.865 49.872 33.209 -99.200 -91.000 TYR 103 0.840 6.486 50.682 36.550 -99.200 -91.000 PHE 105 1.000 8.537 59.883 36.467 -99.200 -91.000 TYR 117 0.840 23.545 42.950 31.286 -99.200 -91.000 TRP 119 1.040 16.633 36.356 37.333 -99.200 -91.000 TRP6 119 1.020 15.909 35.240 35.379 -99.200 -91.000 HIS 123 0.900 18.833 33.203 37.186 -99.200 -91.000 TYR 128 0.840 13.594 40.290 28.995 -99.200 -91.000 PHE 139 1.000 9.131 40.659 44.507 -99.200 -91.000 PHE 140 1.000 11.864 50.331 40.719 -99.200 -91.000 PHE 143 1.000 11.030 44.968 47.900 -99.200 -91.000 TYR 147 0.840 14.560 53.659 49.692 -99.200 -91.000 TYR 164 0.840 10.656 59.223 46.037 -99.200 -91.000 PHE 177 1.000 20.062 40.198 41.191 -99.200 -91.000 TRP 178 1.040 20.599 40.420 46.293 -99.200 -91.000 TRP6 178 1.020 21.860 38.620 45.413 -99.200 -91.000 TYR 191 0.840 9.147 33.044 34.123 -99.200 -91.000 HIS 193 0.900 14.619 27.781 23.829 -99.200 -91.000 TYR 217 0.840 -11.895 20.364 28.886 -99.200 -91.000 HIS 219 0.900 -19.523 27.722 25.035 -99.200 -91.000 PHE 220 1.000 -13.351 27.914 27.783 -99.200 -91.000 HIS 224 0.900 -13.012 27.728 17.029 -99.200 -91.000 PHE 227 1.000 -8.807 25.594 29.686 -99.200 -91.000 PHE 230 1.000 -8.400 31.006 28.773 -99.200 -91.000 PHE 232 1.000 3.054 32.014 27.459 -99.200 -91.000 TRP 234 1.040 -5.493 34.709 32.364 -99.200 -91.000 TRP6 234 1.020 -7.409 33.497 33.033 -99.200 -91.000 PHE 241 1.000 -6.917 40.085 38.894 -99.200 -91.000 TRP 248 1.040 2.258 39.541 43.409 -99.200 -91.000 TRP6 248 1.020 4.500 39.762 42.682 -99.200 -91.000 TYR 251 0.840 -0.634 34.489 44.002 -99.200 -91.000 PHE 261 1.000 -2.992 30.600 46.632 -99.200 -91.000 HIS 262 0.900 -0.941 32.335 38.883 -99.200 -91.000 PHE 264 1.000 -5.947 23.866 43.231 -99.200 -91.000 PHE 269 1.000 -9.615 36.506 36.665 -99.200 -91.000 TRP 273 1.040 -14.320 36.166 34.730 -99.200 -91.000 TRP6 273 1.020 -15.362 38.076 35.648 -99.200 -91.000 PHE 280 1.000 -10.745 31.835 18.890 -99.200 -91.000 PHE 286 1.000 -15.474 38.221 30.164 -99.200 -91.000 TRP 295 1.040 -12.799 42.202 40.327 -99.200 -91.000 TRP6 295 1.020 -11.889 40.081 40.839 -99.200 -91.000 PHE 307 1.000 -6.171 27.777 52.585 -99.200 -91.000 TRP 309 1.040 -12.551 26.024 44.682 -99.200 -91.000 TRP6 309 1.020 -12.820 26.765 42.452 -99.200 -91.000 TYR 313 0.840 -6.525 18.065 42.656 -99.200 -91.000