============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 44 rings ring int. center anis. iso. PHE 8 1.000 10.291 -19.856 18.563 -99.200 -91.000 PHE 23 1.000 19.964 -9.915 26.471 -99.200 -91.000 PHE 29 1.000 15.321 -9.792 27.398 -99.200 -91.000 TYR 30 0.840 17.175 -3.251 31.209 -99.200 -91.000 TYR 67 0.840 -1.370 14.729 28.127 -99.200 -91.000 PHE 84 1.000 19.791 7.377 23.648 -99.200 -91.000 PHE 101 1.000 10.365 9.546 32.047 -99.200 -91.000 PHE 122 1.000 21.969 4.458 19.907 -99.200 -91.000 TYR 124 0.840 28.506 -1.511 14.150 -99.200 -91.000 TRP 129 1.040 20.262 5.723 11.388 -99.200 -91.000 TRP6 129 1.020 20.158 7.360 9.683 -99.200 -91.000 TYR 142 0.840 -1.889 6.326 19.975 -99.200 -91.000 PHE 150 1.000 -0.909 9.611 10.747 -99.200 -91.000 TYR 154 0.840 10.975 12.233 13.684 -99.200 -91.000 PHE 156 1.000 19.062 12.468 19.989 -99.200 -91.000 PHE 169 1.000 8.485 4.914 4.999 -99.200 -91.000 PHE 171 1.000 2.161 1.207 13.256 -99.200 -91.000 HIS 179 0.900 26.480 -0.739 11.169 -99.200 -91.000 TYR 186 0.840 26.483 -1.263 2.996 -99.200 -91.000 TRP 199 1.040 9.008 1.029 2.068 -99.200 -91.000 TRP6 199 1.020 8.695 1.954 -0.088 -99.200 -91.000 TYR 201 0.840 14.840 5.401 3.238 -99.200 -91.000 TRP 215 1.040 16.952 -4.680 1.022 -99.200 -91.000 TRP6 215 1.020 16.590 -6.318 2.690 -99.200 -91.000 HIS 217 0.900 8.306 -7.083 -2.645 -99.200 -91.000 HIS 222 0.900 0.122 -11.953 7.787 -99.200 -91.000 PHE 231 1.000 20.838 -6.109 8.726 -99.200 -91.000 TRP 242 1.040 1.754 -8.548 15.726 -99.200 -91.000 TRP6 242 1.020 -0.575 -8.462 15.320 -99.200 -91.000 HIS 246 0.900 5.718 -19.189 9.223 -99.200 -91.000 PHE 250 1.000 12.994 -10.437 3.868 -99.200 -91.000 PHE 265 1.000 5.629 -16.988 19.417 -99.200 -91.000 HIS 272 0.900 18.445 -6.514 21.169 -99.200 -91.000 PHE 273 1.000 20.636 -12.764 16.578 -99.200 -91.000 PHE 281 1.000 16.618 -13.934 25.597 -99.200 -91.000 HIS 285 0.900 2.564 -7.626 20.512 -99.200 -91.000 TRP 291 1.040 7.212 -17.436 23.623 -99.200 -91.000 TRP6 291 1.020 6.488 -19.615 24.200 -99.200 -91.000 PHE 293 1.000 14.498 -18.084 17.272 -99.200 -91.000 TRP 295 1.040 20.078 -16.923 12.990 -99.200 -91.000 TRP6 295 1.020 18.651 -17.951 11.404 -99.200 -91.000 TYR 303 0.840 26.667 3.351 19.519 -99.200 -91.000 PHE 309 1.000 37.801 6.386 24.644 -99.200 -91.000 PHE 312 1.000 43.715 -4.474 15.511 -99.200 -91.000