NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.1704 0.0000 0.0000 62.5281 33.1527 177.3111 *3 G 3.8849 8.0968 107.3044 43.6909 0.0000 172.9807 4 P 4.6281 0.0000 0.0000 62.2961 30.0319 179.9470 *6 G 3.8628 8.7362 106.6359 44.3398 0.0000 170.9533 7 P 4.1433 0.0000 0.0000 63.6461 29.3379 178.8575 *9 G 3.8790 8.9518 104.6246 44.2745 0.0000 172.7666 10 P 4.4695 0.0000 0.0000 62.5111 29.8412 180.2026 *12 G 3.8970 8.8441 116.8394 45.8057 0.0000 174.9927 13 L 4.2735 8.1193 122.5293 54.5666 40.5418 181.1466 *15 G 3.8920 8.7528 116.9049 45.9212 0.0000 174.2821 16 L 4.2274 8.3156 124.9297 54.8359 39.9487 180.8483 *18 G 3.8943 8.8577 115.6148 45.3217 0.0000 174.1473 19 P 4.5185 0.0000 0.0000 62.3183 30.5362 180.4431 *21 G 3.9010 8.7238 115.4187 45.3926 0.0000 173.0111 22 P 4.5831 0.0000 0.0000 62.4658 29.8853 179.8837 *24 G 3.8904 8.7470 107.3872 44.4902 0.0000 172.4957 25 P 4.6066 0.0000 0.0000 62.1036 30.4166 180.3339 *27 G 3.7397 8.6529 115.5600 45.4426 0.0000 170.5938 28 P 4.3823 0.0000 0.0000 62.5473 31.1432 176.3626 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 1 P 0.00 4.17 0.00 2.19 2.03 0.00 3.76 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 1.88 1.97 0.00 *3 G 8.10 3.88 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 4.63 0.00 2.19 1.24 0.00 3.80 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 1.96 0.00 *6 G 8.74 3.86 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 4.14 0.00 2.19 1.64 0.00 3.80 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 1.95 0.00 *9 G 8.95 3.88 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 4.47 0.00 2.05 1.35 0.00 3.71 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 *12 G 8.84 3.90 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 13 L 8.12 4.27 0.00 1.65 0.84 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 *15 G 8.75 3.89 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 L 8.32 4.23 0.00 1.65 0.97 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 *18 G 8.86 3.89 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 4.52 0.00 2.05 1.14 0.00 3.71 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 8.72 3.90 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 4.58 0.00 2.19 1.32 0.00 3.80 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 1.96 0.00 *24 G 8.75 3.89 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 4.61 0.00 2.05 1.09 0.00 3.71 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 8.65 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 28 P 0.00 4.38 0.00 2.05 1.99 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.