NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.1971 0.0000 0.0000 62.6248 32.4405 176.5419 *5 A 4.0641 7.6745 116.7563 52.0795 20.3129 178.7971 *7 A 4.2967 8.0337 123.4895 53.8297 20.2981 179.6777 8 Q 4.1054 7.4970 115.0713 56.4567 28.3665 176.7190 *10 V 3.8738 7.9574 113.5162 62.2371 32.8464 176.6710 *12 G 3.9159 8.0515 108.4214 45.0174 0.0000 174.1982 13 L 4.2514 7.3806 121.2610 52.7601 40.0417 175.0703 *15 P 4.3383 0.0000 0.0000 62.1914 34.0444 177.8231 16 V 3.8059 7.3258 119.2869 63.1286 29.0251 175.4942 *19 E 4.2131 7.8973 122.1672 55.8163 31.8398 175.3262 20 Q 4.1732 7.7243 121.4531 56.0835 28.6888 175.6798 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 2.12 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 7.67 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 8.03 4.30 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 7.50 4.11 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 *10 V 7.96 3.87 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.93 0.00 0.00 *12 G 8.05 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.38 4.25 0.00 1.91 1.62 0.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 *15 P 0.00 4.34 0.00 2.06 2.15 0.00 3.72 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 7.33 3.81 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.93 0.00 0.00 *19 E 7.90 4.21 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 20 Q 7.72 4.17 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.32 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 * Residues marked with a * may have inaccurate shift predictions.