============================================================================= 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. HIS 4 0.900 -42.063 -35.993 1.862 -99.200 -91.000 HIS 12 0.900 -45.438 -26.604 -0.773 -99.200 -91.000 PHE 16 1.000 -55.923 -29.138 -10.433 -99.200 -91.000 PHE 21 1.000 -46.205 -42.030 -18.840 -99.200 -91.000 HIS 30 0.900 -48.671 -33.143 -18.157 -99.200 -91.000 HIS 36 0.900 -61.064 -34.625 -5.920 -99.200 -91.000 PHE 42 1.000 -52.176 -41.994 -6.656 -99.200 -91.000 PHE 43 1.000 -48.865 -42.402 -2.600 -99.200 -91.000 PHE 49 1.000 -50.861 -45.321 -18.785 -99.200 -91.000 TRP 57 1.040 -44.317 -47.714 -24.072 -99.200 -91.000 TRP6 57 1.020 -44.841 -46.475 -22.132 -99.200 -91.000 PHE 79 1.000 -40.951 -24.206 -14.779 -99.200 -91.000 PHE 80 1.000 -47.759 -27.732 -14.475 -99.200 -91.000 TYR 100 0.840 -44.903 -52.251 -21.286 -99.200 -91.000 TYR 114 0.840 -26.681 -58.311 -14.620 -99.200 -91.000 PHE 126 1.000 -24.642 -43.905 -15.554 -99.200 -91.000 PHE 132 1.000 -29.292 -25.446 -21.711 -99.200 -91.000 PHE 133 1.000 -26.551 -24.696 -29.731 -99.200 -91.000 PHE 135 1.000 -31.188 -22.237 -31.147 -99.200 -91.000 PHE 140 1.000 -39.472 -27.578 -36.988 -99.200 -91.000 HIS 148 0.900 -39.139 -23.951 -43.936 -99.200 -91.000 TRP 158 1.040 -28.001 -15.471 -37.522 -99.200 -91.000 TRP6 158 1.020 -27.426 -17.413 -36.311 -99.200 -91.000 TYR 164 0.840 -31.711 -7.171 -33.595 -99.200 -91.000 HIS 171 0.900 -20.727 -5.022 -27.142 -99.200 -91.000 TYR 179 0.840 -15.633 -22.624 -22.593 -99.200 -91.000 PHE 180 1.000 -16.039 -20.622 -19.189 -99.200 -91.000 HIS 209 0.900 -24.796 -19.857 -14.416 -99.200 -91.000 HIS 210 0.900 -20.033 -23.941 -18.875 -99.200 -91.000 HIS 211 0.900 -22.778 -18.608 -24.427 -99.200 -91.000 PHE 225 1.000 -21.842 -38.035 -7.097 -99.200 -91.000 TYR 238 0.840 -29.824 -29.854 -17.205 -99.200 -91.000 TYR 240 0.840 -41.546 -29.229 -16.397 -99.200 -91.000 HIS 243 0.900 -37.158 -28.765 -23.510 -99.200 -91.000 HIS 247 0.900 -43.216 -21.038 -23.302 -99.200 -91.000 PHE 249 1.000 -35.880 -15.732 -17.598 -99.200 -91.000 PHE 255 1.000 -32.088 -29.936 -22.879 -99.200 -91.000 PHE 261 1.000 -21.307 -27.422 -41.815 -99.200 -91.000 HIS 269 0.900 -18.844 -34.124 -22.972 -99.200 -91.000 HIS 271 0.900 -17.388 -36.519 -15.682 -99.200 -91.000 PHE 282 1.000 -15.385 -47.490 -12.372 -99.200 -91.000 TYR 287 0.840 -3.563 -43.592 -18.639 -99.200 -91.000 TYR 296 0.840 -10.478 -56.513 -16.533 -99.200 -91.000 TYR 297 0.840 -18.536 -49.192 -16.350 -99.200 -91.000 HIS 304 0.900 -20.699 -55.085 -25.276 -99.200 -91.000 TYR 319 0.840 -25.399 -41.574 -35.298 -99.200 -91.000 TYR 326 0.840 -17.293 -28.889 -36.141 -99.200 -91.000 TYR 334 0.840 -7.597 -46.654 -21.696 -99.200 -91.000 PHE 360 1.000 -20.155 -43.307 -26.728 -99.200 -91.000 TYR 368 0.840 -35.529 -42.867 -16.686 -99.200 -91.000 PHE 371 1.000 -27.973 -41.615 -17.481 -99.200 -91.000 HIS 387 0.900 -5.825 -54.549 -20.741 -99.200 -91.000 TYR 397 0.840 -11.115 -33.697 -33.139 -99.200 -91.000 PHE 427 1.000 -24.213 -54.568 -24.322 -99.200 -91.000 PHE 434 1.000 -32.002 -52.358 -22.280 -99.200 -91.000 TYR 442 0.840 -34.240 -47.122 -28.694 -99.200 -91.000 HIS 458 0.900 -29.427 -31.591 -46.257 -99.200 -91.000 PHE 462 1.000 -33.475 -29.863 -54.036 -99.200 -91.000 TYR 465 0.840 -25.638 -34.465 -55.509 -99.200 -91.000 TYR 466 0.840 -32.452 -27.103 -60.261 -99.200 -91.000