============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. TYR 2 0.840 -26.114 47.933 61.665 -99.200 -91.000 PHE 11 1.000 -39.888 31.563 68.944 -99.200 -91.000 TYR 41 0.840 -46.513 30.788 58.481 -99.200 -91.000 TYR 59 0.840 -48.309 19.876 69.687 -99.200 -91.000 HIS 61 0.900 -43.027 18.839 79.894 -99.200 -91.000 HIS 64 0.900 -38.671 16.785 79.054 -99.200 -91.000 HIS 65 0.900 -38.953 21.885 75.340 -99.200 -91.000 TYR 75 0.840 -40.770 39.043 75.959 -99.200 -91.000 PHE 85 1.000 -53.078 12.884 72.216 -99.200 -91.000 PHE 88 1.000 -55.985 6.878 74.340 -99.200 -91.000 HIS 90 0.900 -53.269 3.746 69.980 -99.200 -91.000 PHE 101 1.000 -46.389 1.760 77.449 -99.200 -91.000 TYR 116 0.840 -29.724 -2.730 80.551 -99.200 -91.000 HIS 123 0.900 -28.419 6.629 80.883 -99.200 -91.000 TYR 146 0.840 -30.784 0.668 68.378 -99.200 -91.000 PHE 159 1.000 -46.695 3.484 71.605 -99.200 -91.000 TRP 163 1.040 -45.656 7.635 69.656 -99.200 -91.000 TRP6 163 1.020 -46.396 9.864 69.358 -99.200 -91.000 TRP 165 1.040 -42.560 7.903 59.111 -99.200 -91.000 TRP6 165 1.020 -43.956 6.359 58.038 -99.200 -91.000 TRP 179 1.040 -31.843 13.043 65.041 -99.200 -91.000 TRP6 179 1.020 -30.381 14.751 65.758 -99.200 -91.000 HIS 187 0.900 -37.193 14.843 74.585 -99.200 -91.000 HIS 188 0.900 -33.009 15.440 82.907 -99.200 -91.000 TYR 189 0.840 -28.835 10.762 79.191 -99.200 -91.000 PHE 202 1.000 -45.625 29.623 71.912 -99.200 -91.000 HIS 244 0.900 -27.813 49.234 51.712 -99.200 -91.000 PHE 246 1.000 -27.717 45.779 55.206 -99.200 -91.000 HIS 249 0.900 -16.271 45.881 64.838 -99.200 -91.000 TRP 260 1.040 -26.439 27.377 57.841 -99.200 -91.000 TRP6 260 1.020 -25.440 26.051 59.521 -99.200 -91.000 PHE 265 1.000 -21.297 30.716 55.120 -99.200 -91.000 HIS 281 0.900 -32.157 18.874 58.105 -99.200 -91.000 HIS 291 0.900 -62.693 21.898 58.545 -99.200 -91.000 PHE 307 1.000 -51.719 11.145 57.022 -99.200 -91.000 TYR 311 0.840 -50.915 14.335 67.958 -99.200 -91.000 TYR 313 0.840 -53.460 22.008 65.911 -99.200 -91.000 PHE 326 1.000 -46.388 16.145 63.758 -99.200 -91.000 PHE 332 1.000 -49.794 11.670 52.613 -99.200 -91.000 TYR 346 0.840 -54.347 1.441 58.381 -99.200 -91.000 TYR 347 0.840 -53.818 5.349 61.838 -99.200 -91.000 TYR 358 0.840 -49.060 20.804 52.565 -99.200 -91.000 HIS 359 0.900 -44.658 26.997 54.039 -99.200 -91.000 TRP 361 1.040 -42.604 23.912 57.490 -99.200 -91.000 TRP6 361 1.020 -42.327 26.200 58.031 -99.200 -91.000 PHE 367 1.000 -38.373 28.749 56.788 -99.200 -91.000 TRP 371 1.040 -38.267 17.547 63.014 -99.200 -91.000 TRP6 371 1.020 -40.476 17.465 62.171 -99.200 -91.000 PHE 379 1.000 -26.310 15.898 62.519 -99.200 -91.000 HIS 383 0.900 -24.466 16.686 66.766 -99.200 -91.000 HIS 394 0.900 -19.838 33.883 67.118 -99.200 -91.000 PHE 395 1.000 -21.796 28.940 60.565 -99.200 -91.000 PHE 404 1.000 -32.778 21.551 75.929 -99.200 -91.000 TYR 407 0.840 -37.911 18.760 70.820 -99.200 -91.000 HIS 424 0.90