============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. PHE 4 1.000 26.812 7.535 41.420 -99.200 -91.000 HIS 15 0.900 6.333 9.941 33.169 -99.200 -91.000 TYR 63 0.840 30.237 10.961 19.034 -99.200 -91.000 HIS 72 0.900 44.344 6.428 29.153 -99.200 -91.000 HIS 83 0.900 22.475 2.062 22.861 -99.200 -91.000 PHE 86 1.000 31.098 -0.632 25.631 -99.200 -91.000 TYR 99 0.840 34.742 3.347 29.399 -99.200 -91.000 HIS 108 0.900 13.752 2.192 24.480 -99.200 -91.000 PHE 109 1.000 18.693 0.986 18.692 -99.200 -91.000 TYR 120 0.840 32.204 -6.129 27.664 -99.200 -91.000 PHE 134 1.000 21.856 -2.076 31.127 -99.200 -91.000 PHE 146 1.000 -3.170 2.156 25.522 -99.200 -91.000 TRP 165 1.040 -5.583 8.950 2.573 -99.200 -91.000 TRP6 165 1.020 -3.402 9.001 3.474 -99.200 -91.000 PHE 169 1.000 -8.522 5.896 5.837 -99.200 -91.000 TRP 171 1.040 -9.072 9.976 10.518 -99.200 -91.000 TRP6 171 1.020 -6.937 9.414 11.355 -99.200 -91.000 TYR 175 0.840 -3.618 17.022 14.617 -99.200 -91.000 TRP 181 1.040 1.426 7.011 9.544 -99.200 -91.000 TRP6 181 1.020 -0.262 7.816 8.103 -99.200 -91.000 PHE 182 1.000 6.908 6.084 15.794 -99.200 -91.000 PHE 211 1.000 16.815 9.377 14.318 -99.200 -91.000 TYR 215 0.840 16.087 13.836 16.012 -99.200 -91.000 TRP 223 1.040 8.688 19.310 11.243 -99.200 -91.000 TRP6 223 1.020 7.302 17.828 12.448 -99.200 -91.000 PHE 225 1.000 0.553 14.465 8.388 -99.200 -91.000 PHE 238 1.000 10.154 12.991 16.329 -99.200 -91.000 TYR 293 0.840 -0.682 5.596 20.468 -99.200 -91.000 PHE 295 1.000 -5.026 2.392 20.156 -99.200 -91.000 HIS 306 0.900 13.761 -8.825 15.750 -99.200 -91.000 HIS 308 0.900 17.400 -6.818 15.257 -99.200 -91.000 TRP 309 1.040 15.226 -11.708 20.721 -99.200 -91.000 TRP6 309 1.020 15.635 -9.820 22.083 -99.200 -91.000 TYR 320 0.840 38.617 -13.358 21.882 -99.200 -91.000 PHE 330 1.000 19.338 -6.378 31.077 -99.200 -91.000 PHE 344 1.000 25.559 -18.195 17.090 -99.200 -91.000 PHE 354 1.000 30.590 -11.796 13.067 -99.200 -91.000 TRP 366 1.040 21.923 -15.846 9.443 -99.200 -91.000 TRP6 366 1.020 21.690 -15.876 7.092 -99.200 -91.000 TYR 369 0.840 28.493 -17.435 12.809 -99.200 -91.000 TYR 378 0.840 35.508 -6.327 3.329 -99.200 -91.000 TRP 383 1.040 30.050 -13.649 -0.267 -99.200 -91.000 TRP6 383 1.020 27.952 -12.801 0.409 -99.200 -91.000 PHE 385 1.000 28.605 -11.687 -8.201 -99.200 -91.000 TRP 403 1.040 28.399 -4.425 -16.354 -99.200 -91.000 TRP6 403 1.020 29.690 -5.709 -17.856 -99.200 -91.000 TRP 416 1.040 25.477 -18.601 3.436 -99.200 -91.000 TRP6 416 1.020 27.676 -18.283 2.638 -99.200 -91.000 TYR 422 0.840 16.210 -9.608 -0.874 -99.200 -91.000 PHE 431 1.000 24.079 -8.319 -1.272 -99.200 -91.000 PHE 434 1.000 30.145 -7.191 0.498 -99.200 -91.000