NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1920 8.1133 120.8596 57.2986 31.3755 175.2387 2 R 4.3334 8.5159 121.8782 55.9418 27.8246 177.2667 3 K 4.3181 8.0193 114.8469 56.4925 32.4834 179.4415 *5 Q 4.1520 8.3129 118.8853 56.0447 30.6137 177.8557 6 K 3.8227 8.0897 117.1344 59.9901 32.1318 179.4027 7 T 3.9738 7.9837 115.8247 66.6568 68.2657 176.9520 8 G 3.6147 7.8635 107.0910 48.0500 0.0000 175.2523 9 H 4.2727 8.4562 118.6135 58.5426 28.8045 177.7865 10 A 3.9751 7.7526 122.2255 55.2422 18.2841 179.8011 11 V 3.5627 7.6004 116.2787 66.3498 31.5913 178.4797 12 R 3.9669 8.4653 117.9018 58.9899 29.8340 178.8661 13 A 4.0107 8.0605 120.7465 55.1774 18.3829 179.6458 14 I 3.7495 7.7435 118.0649 64.6091 36.9808 178.9305 15 G 3.6339 7.7077 104.8299 47.8956 0.0000 175.6945 16 R 4.1200 8.0975 120.2745 58.8529 29.8388 179.0554 17 L 4.1154 7.9376 118.3356 57.6641 41.7313 179.3141 18 S 4.1680 8.2719 114.4899 59.0387 63.9293 174.4018 19 S 3.5374 8.2817 114.8177 59.3030 62.0466 172.2416 20 S 4.0652 7.7892 117.2022 59.5661 63.9244 172.5158 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 8.11 4.19 0.00 1.90 1.87 0.00 3.35 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 2 R 8.52 4.33 0.00 2.14 2.02 0.00 3.47 0.00 0.00 3.30 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 3 K 8.02 4.32 0.00 1.82 1.81 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.41 7.81 *5 Q 8.31 4.15 0.00 2.30 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.20 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 6 K 8.09 3.82 0.00 1.98 1.86 0.00 1.54 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.56 7.81 7 T 7.98 3.97 4.22 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 1.20 0.00 0.00 8 G 7.86 3.61 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 9 H 8.46 4.27 0.00 3.33 3.33 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.75 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 11 V 7.60 3.56 2.20 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 1.03 0.00 0.00 0.99 0.00 0.00 12 R 8.47 3.97 0.00 2.10 1.98 0.00 3.20 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 13 A 8.06 4.01 1.41 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 I 7.74 3.75 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.91 0.91 0.00 0.00 15 G 7.71 3.63 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 16 R 8.10 4.12 0.00 2.02 1.99 0.00 3.12 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 17 L 7.94 4.12 0.00 1.79 1.72 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.27 4.17 0.00 4.00 3.93 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 19 S 8.28 3.54 0.00 4.09 3.91 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 S 7.79 4.07 0.00 4.16 3.95 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.