NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1962 8.3144 121.7884 56.1633 34.5266 175.4157 2 E 3.7725 7.8119 118.3235 54.6506 30.2117 175.4497 3 T 4.2671 8.7372 118.6933 61.1419 71.9404 174.8464 4 A 3.9800 8.4620 123.4903 55.3213 18.4861 179.5983 5 A 4.0686 7.9132 117.6108 55.3229 18.8161 179.2890 6 A 4.1371 8.1996 119.3618 54.7578 18.3301 180.3605 7 K 4.6279 8.2383 119.2539 56.2482 32.2670 178.6534 *9 E 4.2483 8.1872 118.5697 55.9661 31.4906 178.3879 10 R 3.9059 8.1261 117.7107 59.3815 30.2573 177.6971 11 Q 4.1083 8.2028 116.0851 58.1432 28.8210 176.3759 12 H 4.9044 8.0219 110.7286 54.9771 30.9190 172.7967 13 M 4.6127 8.0266 119.8693 53.6019 33.2942 176.0072 14 D 4.6255 8.2044 122.6716 52.7269 41.9671 174.9672 15 S 4.3276 8.2965 118.9605 58.2769 62.8945 174.3450 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 K 8.31 4.20 0.00 1.73 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.43 7.81 2 E 7.81 3.77 0.00 2.12 1.82 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 2.38 2.36 0.00 3 T 8.74 4.27 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 4 A 8.46 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 7.91 4.07 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 6 A 8.20 4.14 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.24 4.63 0.00 1.90 1.93 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.33 7.81 *9 E 8.19 4.25 0.00 2.26 2.02 0.00 0.00 0.00 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 2.53 0.00 10 R 8.13 3.91 0.00 1.76 2.08 0.00 3.24 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 11 Q 8.20 4.11 0.00 1.90 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.47 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 12 H 8.02 4.90 0.00 3.11 3.26 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 8.03 4.61 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 14 D 8.20 4.63 0.00 2.55 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.30 4.33 0.00 3.90 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 * Residues marked with a * may have inaccurate shift predictions.