NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.2193 0.0000 0.0000 62.5888 32.9462 176.4100 *5 A 4.0394 7.8064 117.4043 52.0864 20.0816 179.3215 *7 A 4.2717 8.1279 123.9032 54.1229 20.3441 179.9111 8 Q 4.1319 7.6138 111.1718 56.8131 27.8443 176.9062 *10 V 3.8152 7.7650 116.5050 62.7760 32.6741 177.3776 *12 G 3.9129 8.1801 108.4978 45.1586 0.0000 174.5362 13 L 4.2526 7.3074 120.8151 54.2861 41.3022 177.1741 *15 P 4.3133 0.0000 0.0000 62.7170 31.8217 177.1631 16 V 3.7396 7.2998 118.8305 63.0552 28.9747 175.4558 *19 E 4.4532 8.2162 123.9117 55.5898 31.6933 175.9247 20 Q 4.1180 7.4471 122.0287 56.2162 29.0336 175.2829 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 4.22 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 7.81 4.04 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 8.13 4.27 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 8 Q 7.61 4.13 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.18 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 *10 V 7.77 3.82 2.21 0.00 0.00 0.00 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 8.18 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 13 L 7.31 4.25 0.00 1.71 1.68 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 *15 P 0.00 4.31 0.00 2.20 2.22 0.00 3.71 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 1.99 1.96 0.00 16 V 7.30 3.74 2.26 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 0.95 0.00 0.00 0.96 0.00 0.00 *19 E 8.22 4.45 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 20 Q 7.45 4.12 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.