NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.2021 0.0000 0.0000 62.6186 33.2128 176.5771 *5 A 4.0595 7.8741 117.8694 52.0817 20.0505 179.1210 *7 A 4.3425 8.0622 123.6030 54.0113 20.2968 179.9883 8 Q 4.1487 7.4379 111.7656 56.5400 27.8857 176.9502 *10 V 3.8320 7.8540 115.8868 62.7823 32.7008 177.1574 *12 G 3.8356 8.1442 108.4915 44.9156 0.0000 174.5224 13 L 4.2528 7.3334 122.4229 53.1058 40.2716 175.6764 *15 P 4.3462 0.0000 0.0000 62.5084 34.0013 178.8959 16 V 3.8368 7.3691 118.2837 63.0760 28.4334 175.4695 *19 E 4.2823 7.9468 119.1932 55.3411 31.7921 176.2283 20 Q 4.2024 7.9794 122.6792 55.9900 28.9738 175.4033 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 P 0.00 4.20 0.00 2.06 2.14 0.00 3.67 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 1.92 2.09 0.00 *5 A 7.87 4.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 4.34 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.44 4.15 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.15 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 *10 V 7.85 3.83 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.93 0.00 0.00 *12 G 8.14 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 L 7.33 4.25 0.00 1.68 1.64 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 *15 P 0.00 4.35 0.00 2.06 2.15 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 16 V 7.37 3.84 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 *19 E 7.95 4.28 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 20 Q 7.98 4.20 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.65 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.