============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. HIS 24 0.900 21.128 35.413 -37.583 -99.200 -91.000 PHE 26 1.000 19.684 36.648 -30.771 -99.200 -91.000 PHE 31 1.000 35.743 31.484 -18.961 -99.200 -91.000 PHE 41 1.000 35.815 34.789 -30.844 -99.200 -91.000 PHE 83 1.000 34.100 24.717 -19.081 -99.200 -91.000 TYR 105 0.840 21.612 7.088 -25.758 -99.200 -91.000 PHE 122 1.000 22.477 19.451 -19.758 -99.200 -91.000 TYR 136 0.840 28.559 32.515 -43.334 -99.200 -91.000 TRP 149 1.040 11.132 24.888 -27.938 -99.200 -91.000 TRP6 149 1.020 13.097 25.158 -29.235 -99.200 -91.000 HIS 151 0.900 12.450 30.626 -20.255 -99.200 -91.000 PHE 156 1.000 19.434 26.516 -29.447 -99.200 -91.000 TRP 172 1.040 11.718 19.807 -26.815 -99.200 -91.000 TRP6 172 1.020 13.513 20.649 -25.536 -99.200 -91.000 HIS 180 0.900 23.663 16.120 -26.651 -99.200 -91.000 PHE 181 1.000 19.158 7.152 -30.044 -99.200 -91.000 HIS 186 0.900 23.878 14.769 -38.818 -99.200 -91.000 TYR 191 0.840 31.311 7.913 -38.421 -99.200 -91.000 TYR 201 0.840 38.253 8.388 -55.272 -99.200 -91.000 HIS 202 0.900 39.235 1.162 -54.040 -99.200 -91.000 PHE 219 1.000 31.489 11.164 -56.617 -99.200 -91.000 TRP 222 1.040 26.887 10.302 -60.834 -99.200 -91.000 TRP6 222 1.020 28.295 8.771 -59.713 -99.200 -91.000 PHE 230 1.000 27.962 19.569 -46.924 -99.200 -91.000 PHE 241 1.000 41.949 22.728 -52.663 -99.200 -91.000 HIS 248 0.900 43.580 16.865 -59.818 -99.200 -91.000 TRP 265 1.040 29.846 7.153 -28.514 -99.200 -91.000 TRP6 265 1.020 29.793 9.500 -28.315 -99.200 -91.000 TYR 273 0.840 18.869 0.067 -26.334 -99.200 -91.000 PHE 285 1.000 33.543 -3.427 -36.594 -99.200 -91.000 PHE 309 1.000 37.628 -6.862 -63.386 -99.200 -91.000 PHE 311 1.000 34.039 -2.014 -67.354 -99.200 -91.000 PHE 318 1.000 30.781 -0.901 -63.249 -99.200 -91.000 TYR 327 0.840 18.113 7.404 -55.308 -99.200 -91.000 TYR 334 0.840 19.601 9.724 -45.557 -99.200 -91.000 PHE 338 1.000 14.218 8.964 -40.408 -99.200 -91.000 PHE 348 1.000 16.404 4.913 -24.660 -99.200 -91.000 TRP 350 1.040 13.602 9.890 -25.229 -99.200 -91.000 TRP6 350 1.020 15.707 9.351 -26.152 -99.200 -91.000 TYR 354 0.840 9.780 8.264 -35.655 -99.200 -91.000 TRP 361 1.040 18.719 15.776 -39.663 -99.200 -91.000 TRP6 361 1.020 18.309 13.451 -39.436 -99.200 -91.000 PHE 371 1.000 16.901 10.450 -49.892 -99.200 -91.000 PHE 379 1.000 8.925 8.145 -40.826 -99.200 -91.000 PHE 393 1.000 11.203 9.378 -53.636 -99.200 -91.000 PHE 394 1.000 12.447 7.230 -49.359 -99.200 -91.000 TRP 405 1.040 22.869 -2.061 -54.454 -99.200 -91.000 TRP6 405 1.020 21.068 -2.218 -52.949 -99.200 -91.000 PHE 422 1.000 28.367 1.031 -53.404 -99.200 -91.000 PHE 428 1.000 18.305 -3.833 -43.655 -99.200 -91.000 TYR 429 0.840 15.816 -4.768 -51.671 -99.200 -91.000 TYR 432 0.840 12.794 -4.936 -43.739 -99.200 -91.000 HIS 434 0.900 15.206 -14.028 -49.437 -99.200 -91.000 TYR 448 0.840 23.549 -31.742 -32.739 -99.200 -91.000 PHE 449 1.000 26.000 -24.696 -30.115 -99.200 -91.000 HIS 452 0.900 21.811 -21.982 -25.837 -99.200 -91.000 TYR 454 0.840 13.214 -26.712 -32.021 -99.200 -91.000 PHE 463 1.000 10.996 -19.973 -27.183 -99.200 -91.000 HIS 465 0.900 17.058 -30.086 -25.746 -99.200 -91.000 TRP 468 1.040 18.513 -30.953 -32.051 -99.200 -91.000 TRP6 468 1.020 17.638 -30.727 -34.237 -99.200 -91.000 HIS 471 0.900 23.416 -41.639 -28.653 -99.200 -91.000 TYR 480 0.840 18.903 -16.732 -20.599 -99.200 -91.000