NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3795 8.3193 115.2898 58.6469 63.9502 174.1071 3 N 4.8155 7.7888 113.3635 50.4515 36.9265 173.5462 4 L 3.9237 8.1159 120.9054 58.8736 43.5167 180.5424 5 S 4.1889 8.2293 112.3187 61.9991 62.4901 176.9799 6 T 3.9296 7.6153 113.0802 64.5070 68.4039 176.3999 *8 V 4.0685 7.8900 123.3304 61.7974 33.5066 177.5297 9 L 4.0323 8.4194 121.0918 57.4008 41.3620 179.4669 10 G 3.7237 8.4462 105.8749 48.4240 0.0000 175.0449 11 K 3.8218 8.1995 120.7033 59.1688 31.9388 178.7017 12 L 3.9143 8.6275 118.8118 58.4251 41.8351 179.3820 13 S 4.0678 8.4169 112.8424 61.8895 62.2379 176.3020 14 Q 3.9889 8.3980 120.0662 58.9248 28.5937 178.3353 15 E 3.8298 8.6853 120.4331 59.5429 29.6872 178.9708 16 L 3.9730 8.2467 119.2302 57.9740 41.5802 178.9877 17 H 4.5418 8.3079 119.5875 58.6098 29.6720 177.5050 18 K 4.0695 8.5600 121.9934 58.7779 31.6914 178.6614 19 L 3.6302 7.7681 119.7390 58.4960 41.6169 178.7423 20 Q 4.1886 8.0378 117.7508 59.3913 28.6038 179.1661 21 T 4.0453 7.7711 110.0155 63.5195 69.1022 174.5214 22 Y 4.1919 7.8729 119.5829 57.5142 38.6025 174.7944 23 P 4.2625 0.0000 0.0000 65.4901 31.5952 176.8314 24 R 4.2844 7.4521 117.7024 55.5219 31.0748 173.9467 25 T 4.1865 8.6405 117.1932 64.1902 69.9350 175.4656 26 N 4.7031 7.9473 121.2640 52.5402 37.0429 174.8800 27 T 4.4448 7.4981 105.4997 61.0828 70.4558 176.3861 28 G 3.9645 8.1503 112.1873 48.5687 0.0000 173.1253 29 S 4.4103 6.9739 117.6709 56.4261 69.7094 175.7205 30 G 4.0557 8.0471 104.8583 44.3147 0.0000 172.9610 31 T 3.9635 8.6158 119.7621 60.9982 68.1362 172.1253 32 P 4.4281 0.0000 0.0000 63.1420 31.2877 176.0390 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 2 S 8.32 4.38 0.00 3.85 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.79 4.82 0.00 2.96 2.93 0.00 0.00 6.09 5.79 0.00 0.00 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 L 8.12 3.92 0.00 1.65 1.80 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.23 4.19 0.00 3.85 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 6 T 7.62 3.93 4.34 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 1.21 0.00 0.00 *8 V 7.89 4.07 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 1.08 0.00 0.00 0.92 0.00 0.00 9 L 8.42 4.03 0.00 1.88 1.76 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.45 3.72 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 0.00 0.00 0.00 11 K 8.20 3.82 0.00 1.97 1.82 0.00 1.69 0.00 0.00 1.96 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.55 7.81 12 L 8.63 3.91 0.00 1.63 1.73 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.42 4.07 0.00 3.92 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 3.99 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 15 E 8.69 3.83 0.00 2.08 1.94 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 2.24 2.30 0.00 16 L 8.25 3.97 0.00 1.78 1.69 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.31 4.54 0.00 3.33 3.47 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.56 4.07 0.00 1.87 1.84 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.44 7.81 19 L 7.77 3.63 0.00 1.41 1.87 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.04 4.19 0.00 2.40 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.60 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 21 T 7.77 4.05 4.26 0.00 0.00 0.00 0.00 0.00 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 22 Y 7.87 4.19 0.00 3.04 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.26 0.00 2.15 2.14 0.00 3.55 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.83 0.00 24 R 7.45 4.28 0.00 1.73 1.85 0.00 3.30 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 25 T 8.64 4.19 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 26 N 7.95 4.70 0.00 2.75 2.84 0.00 0.00 6.82 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.50 4.44 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 28 G 8.15 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 6.97 4.41 0.00 3.93 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.05 4.06 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 0.00 0.00 0.00 31 T 8.62 3.96 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 32 P 0.00 4.43 0.00 2.22 2.02 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.