============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 38 rings ring int. center anis. iso. TYR 4 0.840 38.019 -4.734 18.144 -99.200 -91.000 PHE 7 1.000 30.112 -3.684 29.117 -99.200 -91.000 HIS 14 0.900 16.363 3.608 45.373 -99.200 -91.000 HIS 38 0.900 12.143 -1.222 20.616 -99.200 -91.000 TYR 47 0.840 12.314 -4.801 36.191 -99.200 -91.000 PHE 59 1.000 26.805 16.567 11.861 -99.200 -91.000 PHE 70 1.000 23.201 10.433 34.109 -99.200 -91.000 TRP 76 1.040 19.358 12.218 42.869 -99.200 -91.000 TRP6 76 1.020 20.169 14.440 42.882 -99.200 -91.000 TYR 86 0.840 33.375 -3.772 47.900 -99.200 -91.000 PHE 116 1.000 29.547 -4.355 15.020 -99.200 -91.000 PHE 120 1.000 28.600 -6.564 10.708 -99.200 -91.000 PHE 127 1.000 11.796 -18.700 22.886 -99.200 -91.000 TYR 144 0.840 12.136 -24.480 20.596 -99.200 -91.000 PHE 145 1.000 17.031 -25.462 21.898 -99.200 -91.000 TYR 154 0.840 8.440 -21.122 19.132 -99.200 -91.000 HIS 155 0.900 12.259 -11.364 20.132 -99.200 -91.000 PHE 167 1.000 3.478 -21.478 22.091 -99.200 -91.000 PHE 174 1.000 2.973 -19.695 31.766 -99.200 -91.000 TYR 177 0.840 2.340 -21.143 39.236 -99.200 -91.000 PHE 192 1.000 16.533 -15.442 30.439 -99.200 -91.000 PHE 195 1.000 15.851 -16.119 18.894 -99.200 -91.000 HIS 206 0.900 41.048 -24.624 18.103 -99.200 -91.000 TRP 209 1.040 41.712 -20.404 30.206 -99.200 -91.000 TRP6 209 1.020 40.158 -19.370 31.663 -99.200 -91.000 PHE 234 1.000 23.158 -29.110 34.177 -99.200 -91.000 PHE 240 1.000 21.060 -44.135 24.895 -99.200 -91.000 HIS 245 0.900 27.023 -35.938 15.186 -99.200 -91.000 TRP 250 1.040 28.845 -28.260 0.983 -99.200 -91.000 TRP6 250 1.020 28.531 -28.904 -1.272 -99.200 -91.000 TYR 256 0.840 31.374 -28.045 4.701 -99.200 -91.000 PHE 257 1.000 22.770 -28.126 5.589 -99.200 -91.000 HIS 259 0.900 20.966 -32.662 7.682 -99.200 -91.000 PHE 310 1.000 37.122 2.323 7.348 -99.200 -91.000 PHE 317 1.000 29.184 -10.948 8.175 -99.200 -91.000 TYR 320 0.840 34.859 -15.872 8.659 -99.200 -91.000 HIS 323 0.900 37.785 -19.088 4.322 -99.200 -91.000 PHE 327 1.000 37.767 -24.719 4.857 -99.200 -91.000