NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9266 8.3393 109.7364 44.5407 0.0000 173.1031 4 P 4.3286 0.0000 0.0000 60.8243 32.0095 173.8115 5 P 4.2943 0.0000 0.0000 62.5700 32.6289 177.8903 6 G 3.8414 8.3066 110.3478 44.3505 0.0000 171.2742 7 P 4.5293 0.0000 0.0000 61.2042 32.1372 174.5038 8 P 4.3342 0.0000 0.0000 62.1596 31.6834 176.6948 9 G 3.8481 8.3395 110.3012 44.5813 0.0000 171.2538 10 P 4.5109 0.0000 0.0000 61.2755 32.0619 174.5476 11 P 4.5001 0.0000 0.0000 62.5465 33.2377 177.5607 12 G 3.8496 8.4506 113.4704 45.6720 0.0000 176.9816 *15 G 3.7220 8.8128 115.1542 44.1067 0.0000 170.1283 16 P 4.5386 0.0000 0.0000 61.2083 32.1394 174.4141 17 P 4.2950 0.0000 0.0000 62.3621 31.6719 176.9477 18 G 3.8514 8.3269 111.0895 44.3689 0.0000 171.0976 19 P 4.5581 0.0000 0.0000 61.0714 32.2420 174.4253 20 P 4.3295 0.0000 0.0000 62.3490 31.6863 176.7553 21 G 3.8307 8.2822 110.3237 44.3733 0.0000 171.1848 22 P 4.5747 0.0000 0.0000 60.8714 32.3433 174.2759 23 P 4.2876 0.0000 0.0000 62.4722 31.5733 176.8371 24 G 3.8446 8.3195 110.5680 44.3261 0.0000 171.2412 25 P 4.5152 0.0000 0.0000 61.2996 32.0810 174.5297 26 P 4.4069 0.0000 0.0000 62.3041 31.9062 177.0884 27 G 3.7375 8.4796 108.3461 46.0135 0.0000 173.6721 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 G 8.34 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.33 0.00 2.27 2.06 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 5 P 0.00 4.29 0.00 2.06 2.04 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 6 G 8.31 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.53 0.00 2.19 2.07 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 8 P 0.00 4.33 0.00 2.06 2.03 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 9 G 8.34 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.51 0.00 2.19 2.07 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 11 P 0.00 4.50 0.00 2.06 2.03 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 12 G 8.45 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *15 G 8.81 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.54 0.00 2.19 2.07 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 17 P 0.00 4.29 0.00 2.06 2.03 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 18 G 8.33 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.56 0.00 2.19 2.07 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 20 P 0.00 4.33 0.00 2.06 2.03 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 21 G 8.28 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.57 0.00 2.19 2.08 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 23 P 0.00 4.29 0.00 2.06 2.03 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 24 G 8.32 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.52 0.00 2.19 2.07 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 26 P 0.00 4.41 0.00 2.06 2.02 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 27 G 8.48 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.