============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. HIS 11 0.900 -29.486 -14.022 -38.962 -99.200 -91.000 TYR 13 0.840 -24.304 -11.316 -32.252 -99.200 -91.000 PHE 19 1.000 -35.979 -2.294 -30.841 -99.200 -91.000 TRP 23 1.040 -32.477 -9.240 -38.357 -99.200 -91.000 TRP6 23 1.020 -32.401 -7.673 -36.583 -99.200 -91.000 PHE 29 1.000 -31.855 1.254 -44.632 -99.200 -91.000 HIS 30 0.900 -32.635 -1.909 -51.101 -99.200 -91.000 TYR 41 0.840 -22.885 -3.788 -25.641 -99.200 -91.000 TRP 48 1.040 -21.996 13.781 -26.146 -99.200 -91.000 TRP6 48 1.020 -20.192 12.992 -24.842 -99.200 -91.000 PHE 69 1.000 -39.904 16.156 -30.252 -99.200 -91.000 HIS 102 0.900 -27.400 1.046 -29.627 -99.200 -91.000 PHE 112 1.000 -26.234 0.906 -43.524 -99.200 -91.000 TRP 113 1.040 -20.554 -4.487 -44.000 -99.200 -91.000 TRP6 113 1.020 -19.378 -3.274 -42.339 -99.200 -91.000 TYR 121 0.840 -17.943 0.201 -32.334 -99.200 -91.000 TYR 133 0.840 -27.822 -2.722 -22.452 -99.200 -91.000 TYR 134 0.840 -29.706 -2.323 -12.393 -99.200 -91.000 HIS 135 0.900 -28.614 2.767 -12.687 -99.200 -91.000 PHE 136 1.000 -32.234 2.172 -22.660 -99.200 -91.000 PHE 145 1.000 -40.534 -6.203 -15.148 -99.200 -91.000 TRP 149 1.040 -24.752 -3.546 -9.484 -99.200 -91.000 TRP6 149 1.020 -24.234 -3.220 -11.782 -99.200 -91.000 TYR 152 0.840 -27.806 -5.513 -16.717 -99.200 -91.000 PHE 156 1.000 -22.027 -5.327 -19.546 -99.200 -91.000 TYR 163 0.840 -28.797 -4.028 -29.965 -99.200 -91.000 TRP 166 1.040 -18.361 -3.034 -23.888 -99.200 -91.000 TRP6 166 1.020 -16.053 -3.422 -23.511 -99.200 -91.000 PHE 167 1.000 -16.010 -8.671 -21.758 -99.200 -91.000 HIS 169 0.900 -21.506 -3.810 -30.670 -99.200 -91.000 TRP 173 1.040 -19.183 -2.798 -34.648 -99.200 -91.000 TRP6 173 1.020 -19.538 -1.633 -36.684 -99.200 -91.000 TRP 174 1.040 -9.008 -2.857 -32.728 -99.200 -91.000 TRP6 174 1.020 -8.538 -0.552 -32.926 -99.200 -91.000 HIS 180 0.900 -14.952 -3.050 -44.388 -99.200 -91.000 PHE 184 1.000 -12.919 1.241 -34.802 -99.200 -91.000 TYR 186 0.840 -11.255 4.100 -27.437 -99.200 -91.000 TYR 187 0.840 -19.615 8.644 -22.373 -99.200 -91.000 PHE 204 1.000 -14.900 8.942 -40.803 -99.200 -91.000 HIS 219 0.900 -23.855 26.274 -24.335 -99.200 -91.000 HIS 220 0.900 -27.495 22.040 -29.629 -99.200 -91.000 PHE 223 1.000 -25.972 14.411 -18.490 -99.200 -91.000 TYR 234 0.840 -34.065 8.597 -27.211 -99.200 -91.000 HIS 236 0.900 -38.697 11.678 -28.713 -99.200 -91.000 HIS 244 0.900 -37.531 9.687 -20.000 -99.200 -91.000 PHE 249 1.000 -31.448 7.839 -23.747 -99.200 -91.000 TRP 258 1.040 -16.330 2.654 -13.171 -99.200 -91.000 TRP6 258 1.020 -15.140 1.327 -11.609 -99.200 -91.000 TYR 261 0.840 -24.935 3.260 -9.414 -99.200 -91.000 PHE 262 1.000 -18.824 -2.546 -11.857 -99.200 -91.000 PHE 270 1.000 -16.507 -5.385 -15.777 -99.200 -91.000 TYR 274 0.840 -11.807 -4.831 -19.879 -99.200 -91.000 PHE 285 1.000 -12.708 0.183 -24.522 -99.200 -91.000