============================================================================= 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 -25.957 47.996 62.124 -99.200 -91.000 PHE 11 1.000 -39.834 31.631 69.387 -99.200 -91.000 TYR 41 0.840 -46.536 30.954 58.923 -99.200 -91.000 TYR 59 0.840 -48.170 19.882 69.884 -99.200 -91.000 HIS 61 0.900 -43.259 18.998 80.414 -99.200 -91.000 HIS 64 0.900 -38.689 16.797 79.494 -99.200 -91.000 HIS 65 0.900 -39.170 21.862 75.645 -99.200 -91.000 TYR 75 0.840 -40.734 39.053 76.490 -99.200 -91.000 PHE 85 1.000 -53.385 12.837 72.505 -99.200 -91.000 PHE 88 1.000 -56.377 6.948 74.624 -99.200 -91.000 HIS 90 0.900 -53.566 3.885 70.239 -99.200 -91.000 PHE 101 1.000 -46.787 2.008 77.972 -99.200 -91.000 TYR 116 0.840 -29.934 -2.725 80.995 -99.200 -91.000 HIS 123 0.900 -28.675 6.722 81.240 -99.200 -91.000 TYR 146 0.840 -31.134 0.717 68.739 -99.200 -91.000 PHE 159 1.000 -47.021 3.607 71.940 -99.200 -91.000 TRP 163 1.040 -45.907 7.824 70.059 -99.200 -91.000 TRP6 163 1.020 -46.652 10.016 69.747 -99.200 -91.000 TRP 165 1.040 -42.810 8.033 59.470 -99.200 -91.000 TRP6 165 1.020 -44.140 6.430 58.391 -99.200 -91.000 TRP 179 1.040 -31.925 13.111 65.424 -99.200 -91.000 TRP6 179 1.020 -30.456 14.783 66.143 -99.200 -91.000 HIS 187 0.900 -37.389 14.984 74.877 -99.200 -91.000 HIS 188 0.900 -34.825 16.474 81.712 -99.200 -91.000 TYR 189 0.840 -29.104 10.894 79.523 -99.200 -91.000 PHE 202 1.000 -45.742 29.697 72.305 -99.200 -91.000 HIS 244 0.900 -27.651 49.503 52.474 -99.200 -91.000 PHE 246 1.000 -27.817 46.097 55.578 -99.200 -91.000 HIS 249 0.900 -16.597 46.019 65.231 -99.200 -91.000 TRP 260 1.040 -26.555 27.531 58.088 -99.200 -91.000 TRP6 260 1.020 -25.485 26.233 59.719 -99.200 -91.000 PHE 265 1.000 -21.370 30.919 55.323 -99.200 -91.000 HIS 281 0.900 -32.255 18.943 58.390 -99.200 -91.000 HIS 291 0.900 -62.897 22.043 58.612 -99.200 -91.000 PHE 307 1.000 -51.979 11.101 57.298 -99.200 -91.000 TYR 311 0.840 -51.422 14.346 68.201 -99.200 -91.000 TYR 313 0.840 -53.616 21.914 66.073 -99.200 -91.000 PHE 326 1.000 -46.912 16.049 64.031 -99.200 -91.000 PHE 332 1.000 -50.136 11.680 52.834 -99.200 -91.000 TYR 346 0.840 -54.603 1.472 58.653 -99.200 -91.000 TYR 347 0.840 -54.088 5.389 62.138 -99.200 -91.000 TYR 358 0.840 -49.045 20.860 52.767 -99.200 -91.000 HIS 359 0.900 -44.917 27.213 54.658 -99.200 -91.000 TRP 361 1.040 -42.684 23.946 57.759 -99.200 -91.000 TRP6 361 1.020 -42.410 26.204 58.327 -99.200 -91.000 PHE 367 1.000 -38.473 28.915 57.030 -99.200 -91.000 TRP 371 1.040 -38.347 17.646 63.437 -99.200 -91.000 TRP6 371 1.020 -40.546 17.442 62.662 -99.200 -91.000 PHE 379 1.000 -26.350 15.941 62.791 -99.200 -91.000 HIS 383 0.900 -24.457 16.724 66.957 -99.200 -91.000 HIS 394 0.900 -19.907 33.865 67.461 -99.200 -91.000 PHE 395 1.000 -21.777 29.084 60.926 -99.200 -91.000 PHE 404 1.000 -34.829 19.548 75.187 -99.200 -91.000 TYR 407 0.840 -37.611 18.604 70.590 -99.200 -91.000 HIS 424 0.900 -17.829 36.216 79.168 -99.200 -91.000