NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.1654 0.0000 0.0000 62.5352 32.0773 178.4169 *3 G 3.8244 8.9862 105.5069 44.0601 0.0000 170.7111 4 P 3.8896 0.0000 0.0000 64.3620 29.7841 178.0603 *6 G 3.8794 8.7973 105.4302 43.9098 0.0000 172.1825 7 P 4.3690 0.0000 0.0000 63.0453 29.6482 179.4627 *9 G 3.8482 8.9386 104.0625 44.0421 0.0000 171.7085 10 P 4.0344 0.0000 0.0000 63.9092 29.6497 178.4878 *12 G 3.8710 8.9338 102.9644 44.4969 0.0000 176.0844 13 L 4.1730 8.0595 118.0455 54.9872 40.8947 181.2707 *15 G 3.8873 8.6878 115.2816 45.2696 0.0000 172.3429 16 P 4.1940 0.0000 0.0000 63.4115 29.7072 178.9379 *18 G 3.8765 8.9675 106.3946 44.0715 0.0000 171.3224 19 P 4.1899 0.0000 0.0000 63.5109 29.5939 178.8046 *21 G 3.8738 8.9576 104.9451 44.1993 0.0000 172.4255 22 P 4.3363 0.0000 0.0000 62.8789 29.7522 179.7481 *24 G 3.9037 8.9136 116.9723 45.4085 0.0000 172.7374 25 P 4.5920 0.0000 0.0000 62.1814 30.2023 180.4156 *27 G 3.7562 8.7530 115.9898 45.2234 0.0000 170.6532 28 P 4.4001 0.0000 0.0000 62.8716 31.4915 176.3316 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 1.68 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 8.99 3.82 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 3.89 0.00 2.19 1.91 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 8.80 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 7 P 0.00 4.37 0.00 2.19 1.51 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 *9 G 8.94 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 4.03 0.00 2.19 1.84 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 *12 G 8.93 3.87 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 8.06 4.17 0.00 1.64 0.72 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 *15 G 8.69 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 P 0.00 4.19 0.00 2.19 1.66 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 *18 G 8.97 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 19 P 0.00 4.19 0.00 2.19 1.68 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 *21 G 8.96 3.87 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 4.34 0.00 2.05 1.49 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 *24 G 8.91 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 25 P 0.00 4.59 0.00 2.05 1.18 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 8.75 3.76 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 4.40 0.00 2.19 2.04 0.00 3.80 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 1.98 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.