NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 G 3.9374 8.2127 109.7364 45.3630 0.0000 174.1781 2 I 3.2809 7.8137 121.0666 63.1583 38.0642 172.9224 3 V 3.4871 8.2772 119.9041 66.6020 31.8099 176.5485 4 E 4.0098 8.1807 118.0912 59.0129 29.0692 178.5016 5 Q 3.8970 8.5994 120.0852 59.7621 29.0131 178.5899 6 C 4.3385 8.4263 116.5962 58.7562 40.4362 174.4972 7 C 4.3097 7.4169 118.2991 60.8070 31.9518 174.9559 8 T 4.0668 8.4167 110.3372 64.3651 69.2213 174.6731 9 S 4.7912 7.2213 119.8211 56.4846 64.7941 172.8191 10 I 4.5338 8.2184 115.2795 59.9094 39.4282 173.6881 11 C 5.2411 8.4692 117.6587 53.1259 45.2357 174.3485 12 S 4.6094 8.2388 115.7298 57.5826 65.3827 175.2225 13 L 3.8918 8.3735 122.3796 58.4387 41.0046 179.5624 14 Y 4.2444 7.5663 115.0332 61.2748 37.6918 178.0775 15 Q 4.2467 8.2434 118.9787 59.0157 28.8119 178.8824 16 L 4.1091 8.0747 120.0227 57.8779 41.7044 179.4096 17 E 4.0949 8.1149 118.0563 59.2647 29.1725 178.6470 18 N 4.5855 7.8811 114.1640 55.0803 38.6265 175.6433 19 Y 4.2516 7.6873 117.0668 57.0744 38.7213 175.3215 20 C 4.5277 7.1852 117.7653 58.8583 29.3974 173.5254 21 N 4.5305 8.5778 118.2285 53.7667 38.1600 175.2802 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 G 8.21 3.94 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 2 I 7.81 3.28 0.56 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.17 0.34 0.00 0.00 3 V 8.28 3.49 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 0.97 0.00 0.00 0.84 0.00 0.00 4 E 8.18 4.01 0.00 2.25 1.88 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 2.39 2.42 0.00 5 Q 8.60 3.90 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 6 C 8.43 4.34 0.00 3.03 3.08 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 0.00 0.00 0.00 0.00 7 C 7.42 4.31 0.00 3.02 3.11 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 T 8.42 4.07 4.23 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 1.22 0.00 0.00 9 S 7.22 4.79 0.00 4.02 3.86 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 I 8.22 4.53 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.65 0.91 0.00 0.00 11 C 8.47 5.24 0.00 3.07 3.06 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 12 S 8.24 4.61 0.00 4.22 4.10 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 8.37 3.89 0.00 1.27 1.51 0.79 0.74 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 14 Y 7.57 4.24 0.00 3.02 2.99 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 Q 8.24 4.25 0.00 2.36 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 16 L 8.07 4.11 0.00 1.90 1.74 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.11 4.09 0.00 2.40 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 0.00 2.36 2.47 0.00 18 N 7.88 4.59 0.00 2.77 2.81 0.00 0.00 6.96 7.34 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 Y 7.69 4.25 0.00 3.16 3.01 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 20 C 7.19 4.53 0.00 3.01 2.87 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 21 N 8.58 4.53 0.00 2.70 2.74 0.00 0.00 6.81 7.56 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.