NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.0921 8.0244 121.4505 61.3048 39.2411 175.5937 2 S 4.0039 8.0359 114.0784 58.3357 62.4556 172.3480 3 R 4.5960 8.4839 127.0599 55.9214 31.5539 174.9350 4 S 4.7866 7.8219 113.4304 56.7003 65.5110 174.3652 5 T 4.0819 8.0216 116.6411 62.2252 66.6099 172.2912 *7 P 4.0771 0.0000 0.0000 62.0626 32.7433 176.2710 8 T 4.5454 7.7996 109.9960 59.7710 71.2453 174.0767 9 F 4.5352 8.7463 121.6690 55.9541 39.8032 174.4062 10 N 5.0104 8.1850 120.2833 51.4132 38.0768 174.5587 11 K 4.2833 7.1130 115.9596 56.0301 35.5542 174.6439 12 Q 4.4158 8.8183 118.9942 56.8404 29.4303 173.6713 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 I 8.02 4.09 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 1.30 1.07 0.91 0.00 0.00 2 S 8.04 4.00 0.00 3.91 3.78 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 3 R 8.48 4.60 0.00 1.80 1.87 0.00 3.22 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 4 S 7.82 4.79 0.00 3.95 3.88 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 0.00 0.00 0.00 5 T 8.02 4.08 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 *7 P 0.00 4.08 0.00 1.88 1.76 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.03 0.00 8 T 7.80 4.55 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 9 F 8.75 4.54 0.00 2.99 3.07 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 N 8.19 5.01 0.00 2.79 2.87 0.00 0.00 6.17 7.13 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 11 K 7.11 4.28 0.00 1.72 1.71 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.20 1.23 7.81 12 Q 8.82 4.42 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.65 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.