NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2784 8.2544 119.7064 56.2932 31.4323 173.7394 2 D 4.6622 8.0856 118.4490 52.6147 44.7626 174.1564 3 C 5.0079 9.3244 116.5533 57.8072 41.4707 175.3398 4 C 4.7938 7.9919 113.4667 56.7510 36.1488 174.2501 5 T 4.2192 7.7412 116.1894 63.6382 68.1889 174.1812 *8 K 4.5873 7.5761 119.9725 56.3990 33.4202 175.3194 9 K 4.4895 8.8503 121.0035 55.7508 34.1924 175.5437 10 C 5.2939 8.6801 124.0933 56.8638 41.9087 175.1237 11 K 4.1805 8.1976 120.7578 57.9744 33.0296 176.7861 12 D 4.5804 7.7779 116.8653 53.8721 41.8787 175.8614 13 A 4.1702 8.3458 121.7790 55.4974 18.7891 179.6476 14 Q 4.1332 8.0615 112.1714 57.8463 28.8763 178.1192 15 C 4.8666 7.7752 113.5489 56.7613 42.4916 174.7794 16 K 4.1041 8.1082 121.4896 55.9254 30.4045 177.7690 *18 Q 4.0871 7.7614 117.7555 55.5064 30.0682 177.2133 19 R 4.0580 8.7586 120.4688 59.1772 29.2947 175.4936 20 C 4.8066 8.0052 111.8638 55.3858 42.1497 174.2753 21 C 4.9041 8.7174 116.8213 59.1973 47.3613 174.1121 22 A 4.1622 7.9168 125.1155 52.4290 17.9749 177.0844 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 R 8.25 4.28 0.00 1.80 1.93 0.00 3.17 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 2 D 8.09 4.66 0.00 2.64 2.58 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 C 9.32 5.01 0.00 3.02 3.25 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 0.00 0.00 0.00 0.00 4 C 7.99 4.79 0.00 2.90 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 5 T 7.74 4.22 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 *8 K 7.58 4.59 0.00 1.77 1.95 0.00 1.76 0.00 0.00 2.13 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.40 7.81 9 K 8.85 4.49 0.00 1.89 1.61 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.40 7.81 10 C 8.68 5.29 0.00 2.93 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 11 K 8.20 4.18 0.00 1.73 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.43 7.81 12 D 7.78 4.58 0.00 2.66 2.64 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 A 8.35 4.17 1.29 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 14 Q 8.06 4.13 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 15 C 7.78 4.87 0.00 2.92 3.20 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 16 K 8.11 4.10 0.00 1.83 1.80 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.41 7.81 *18 Q 7.76 4.09 0.00 2.41 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 19 R 8.76 4.06 0.00 1.91 2.12 0.00 3.02 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 20 C 8.01 4.81 0.00 3.10 3.20 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 C 8.72 4.90 0.00 3.14 3.09 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 22 A 7.92 4.16 1.28 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 * Residues marked with a * may have inaccurate shift predictions.