NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6176 8.3649 120.5307 54.2212 41.8022 174.2111 2 D 4.8205 7.6108 119.1729 50.0209 43.3927 174.9965 3 P 4.4366 0.0000 0.0000 63.7213 33.9772 177.4110 4 S 4.0003 7.4782 114.1712 59.4518 59.4152 171.0127 *6 V 4.1168 8.0034 126.6740 62.6655 33.0417 176.2917 7 N 4.3314 8.6957 119.4753 55.6529 37.5764 176.3671 8 V 3.1371 7.8393 117.0192 58.7443 31.3485 175.3278 9 Q 4.0211 8.6681 121.9955 56.0301 28.3600 176.1771 10 N 4.2282 8.6671 116.9293 53.3777 39.1894 175.1905 11 L 4.3347 8.3232 118.8389 55.7173 42.2899 176.9405 12 D 4.4225 7.6198 117.4924 56.7569 41.0283 177.1297 13 K 4.1713 8.0403 121.0075 56.9301 32.2263 174.9363 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 D 8.36 4.62 0.00 2.68 2.72 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 D 7.61 4.82 0.00 2.72 2.56 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 0.00 0.00 0.00 0.00 3 P 0.00 4.44 0.00 2.18 2.17 0.00 3.83 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 1.98 1.98 0.00 4 S 7.48 4.00 0.00 4.07 3.34 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 0.00 0.00 0.00 0.00 *6 V 8.00 4.12 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 0.83 0.00 0.00 0.93 0.00 0.00 7 N 8.70 4.33 0.00 2.83 2.99 0.00 0.00 6.08 7.68 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 V 7.84 3.14 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 0.83 0.00 0.00 0.93 0.00 0.00 9 Q 8.67 4.02 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 10 N 8.67 4.23 0.00 2.80 3.06 0.00 0.00 6.62 6.74 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 L 8.32 4.33 0.00 1.60 1.67 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 12 D 7.62 4.42 0.00 2.72 2.76 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 13 K 8.04 4.17 0.00 1.93 1.77 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.35 7.81 * Residues marked with a * may have inaccurate shift predictions.