NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.1653 0.0000 0.0000 62.5375 32.3257 174.2324 *3 G 3.8715 8.3198 106.8707 45.1442 0.0000 173.4306 4 P 4.5020 0.0000 0.0000 62.2809 30.5732 179.7130 *6 G 3.8462 8.5614 116.5698 45.1860 0.0000 171.1485 7 P 4.0129 0.0000 0.0000 63.9833 29.9616 178.1828 *9 G 3.8725 8.8309 103.7887 43.8516 0.0000 172.7712 10 P 4.2664 0.0000 0.0000 63.2762 29.6779 179.1152 *12 G 3.8373 8.9150 106.5687 44.1553 0.0000 170.9871 13 P 4.1168 0.0000 0.0000 63.7244 30.0759 178.1145 *15 A 4.2399 8.8771 122.4471 51.7469 21.6766 175.2220 16 P 4.5671 0.0000 0.0000 62.4992 30.5840 179.8925 *18 G 3.8847 8.6855 107.3819 44.4721 0.0000 171.6997 19 P 4.5222 0.0000 0.0000 62.4554 29.8875 180.2369 *21 G 3.9105 8.7991 119.2629 45.6106 0.0000 170.2718 22 P 4.4572 0.0000 0.0000 62.9748 29.4149 179.2216 *24 G 3.8957 8.8347 107.5044 44.5341 0.0000 170.6747 25 P 4.6649 0.0000 0.0000 62.4838 29.5533 179.6377 *27 G 3.7196 8.7233 105.7711 44.0530 0.0000 170.6514 28 P 4.3921 0.0000 0.0000 63.0517 31.3308 176.6355 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 2.16 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 8.32 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 4 P 0.00 4.50 0.00 2.05 1.25 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 2.03 2.09 0.00 *6 G 8.56 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 7 P 0.00 4.01 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 *9 G 8.83 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 10 P 0.00 4.27 0.00 2.19 1.60 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 8.92 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 13 P 0.00 4.12 0.00 2.05 1.84 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 *15 A 8.88 4.24 1.26 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 4.57 0.00 2.19 1.23 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 1.99 1.96 0.00 *18 G 8.69 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 4.52 0.00 2.05 1.30 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 2.07 0.00 *21 G 8.80 3.91 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 4.46 0.00 2.19 1.41 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 1.96 1.95 0.00 *24 G 8.83 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 4.66 0.00 2.19 1.26 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 1.97 1.95 0.00 *27 G 8.72 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 28 P 0.00 4.39 0.00 2.05 2.01 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 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.