============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 67 rings ring int. center anis. iso. PHE 1 1.000 12.939 -37.385 -19.733 -99.200 -91.000 TYR 7 0.840 15.875 -27.482 -16.599 -99.200 -91.000 PHE 8 1.000 18.185 -34.797 -11.216 -99.200 -91.000 TRP 21 1.040 18.549 -19.721 5.063 -99.200 -91.000 TRP6 21 1.020 17.824 -17.822 6.248 -99.200 -91.000 PHE 22 1.000 19.435 -28.476 10.929 -99.200 -91.000 HIS 23 0.900 25.034 -26.350 8.815 -99.200 -91.000 PHE 28 1.000 20.677 -14.329 14.864 -99.200 -91.000 TRP 46 1.040 16.678 -35.915 -5.260 -99.200 -91.000 TRP6 46 1.020 15.821 -37.738 -4.037 -99.200 -91.000 PHE 49 1.000 13.671 -31.213 -11.505 -99.200 -91.000 TYR 53 0.840 18.685 -39.393 -15.658 -99.200 -91.000 TYR 55 0.840 8.042 -41.631 -18.869 -99.200 -91.000 TYR 59 0.840 8.529 -46.161 -20.497 -99.200 -91.000 TYR 60 0.840 11.759 -40.222 -23.648 -99.200 -91.000 PHE 61 1.000 20.098 -47.331 -21.479 -99.200 -91.000 TYR 68 0.840 28.362 -43.853 -18.708 -99.200 -91.000 HIS 69 0.900 29.055 -44.904 -23.531 -99.200 -91.000 PHE 74 1.000 32.137 -37.345 -17.656 -99.200 -91.000 PHE 76 1.000 26.196 -30.563 -17.435 -99.200 -91.000 TYR 92 0.840 21.466 -37.335 10.870 -99.200 -91.000 TRP 94 1.040 11.974 -33.113 9.729 -99.200 -91.000 TRP6 94 1.020 12.192 -32.117 7.596 -99.200 -91.000 TRP 104 1.040 26.145 -45.440 4.173 -99.200 -91.000 TRP6 104 1.020 28.488 -45.344 3.970 -99.200 -91.000 PHE 113 1.000 28.786 -40.544 -13.755 -99.200 -91.000 TRP 122 1.040 42.861 -40.456 -16.294 -99.200 -91.000 TRP6 122 1.020 43.755 -41.430 -14.367 -99.200 -91.000 PHE 127 1.000 38.683 -33.991 -21.681 -99.200 -91.000 HIS 133 0.900 32.608 -27.593 -22.261 -99.200 -91.000 PHE 136 1.000 37.153 -33.836 -15.252 -99.200 -91.000 TYR 137 0.840 36.124 -27.130 -11.503 -99.200 -91.000 PHE 145 1.000 35.701 -30.541 -2.279 -99.200 -91.000 TYR 156 0.840 29.958 -44.096 9.094 -99.200 -91.000 HIS 157 0.900 33.259 -36.205 12.202 -99.200 -91.000 TYR 161 0.840 39.289 -34.675 8.162 -99.200 -91.000 PHE 163 1.000 34.054 -41.051 -0.241 -99.200 -91.000 PHE 164 1.000 38.503 -31.335 2.476 -99.200 -91.000 TRP 171 1.040 39.575 -26.570 -6.993 -99.200 -91.000 TRP6 171 1.020 39.952 -25.566 -4.902 -99.200 -91.000 PHE 174 1.000 38.983 -29.944 -15.263 -99.200 -91.000 HIS 181 0.900 39.469 -25.177 -23.613 -99.200 -91.000 PHE 191 1.000 28.930 -26.053 -24.941 -99.200 -91.000 PHE 203 1.000 33.076 -18.933 -1.856 -99.200 -91.000 TYR 209 0.840 39.280 -28.097 6.916 -99.200 -91.000 HIS 214 0.900 34.674 -32.591 15.246 -99.200 -91.000 TRP 225 1.040 34.796 -18.090 3.098 -99.200 -91.000 TRP6 225 1.020 34.013 -16.378 4.520 -99.200 -91.000 TYR 227 0.840 41.601 -19.795 -6.430 -99.200 -91.000 PHE 229 1.000 34.353 -14.081 0.052 -99.200 -91.000 PHE 233 1.000 35.909 -9.842 -4.636 -99.200 -91.000 PHE 234 1.000 40.005 -13.083 -11.037 -99.200 -91.000 PHE 239 1.000 25.396 -12.672 -14.334 -99.200 -91.000 TRP 241 1.040 32.301 -13.498 -22.511 -99.200 -91.000 TRP6 241 1.020 32.810 -15.468 -21.322 -99.200 -91.000 TRP 252 1.040 18.025 -22.543 -11.099 -99.200 -91.000 TRP6 252 1.020 17.716 -22.526 -8.767 -99.200 -91.000 PHE 254 1.000 27.199 -17.898 -11.920 -99.200 -91.000 PHE 268 1.000 35.449 -18.530 7.124 -99.200 -91.000 TYR 269 0.840 27.572 -13.774 12.863 -99.200 -91.000 HIS 270 0.900 27.044 -20.858 14.472 -99.200 -91.000 PHE 280 1.000 29.186 -9.482 -0.192 -99.200 -91.000 PHE 282 1.000 22.707 -16.716 5.521 -99.200 -91.000 PHE 284 1.000 26.691 -12.015 -4.331 -99.200 -91.000 TYR 298 0.840 9.100 -14.205 -17.162 -99.200 -91.000 PHE 305 1.000 11.806 -25.886 -14.897 -99.200 -91.000 PHE 306 1.000 9.186 -29.701 -16.585 -99.200 -91.000