NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.6472 8.2827 119.2046 53.6984 40.0859 173.7778 4 K 3.7934 8.4038 115.1092 57.0551 32.0014 177.6921 5 R 3.9831 8.8088 119.9591 59.9576 29.7374 177.0299 6 N 4.6651 8.0459 115.3118 55.4417 38.4224 177.4286 7 V 3.6967 7.1906 119.1943 65.7655 31.6392 177.9557 8 E 4.0693 8.8873 118.9629 59.0128 29.0870 178.8923 9 L 4.0054 7.5167 120.9319 57.8214 41.8641 178.5402 10 L 4.2690 7.7515 116.8857 56.2527 41.5575 178.3548 11 A 4.0095 7.3691 118.7729 53.9492 19.0056 178.5679 12 T 4.1593 7.8182 111.0969 64.0733 67.1034 176.7789 13 L 4.0466 7.5591 119.9234 57.5032 41.6390 179.0660 14 K 4.1862 7.6903 117.3165 58.3112 31.5528 178.8672 15 E 3.9912 7.8429 120.5776 59.1745 29.3418 178.3200 16 N 4.4644 8.0172 115.3680 55.9604 38.8521 177.0309 17 L 4.1737 7.6317 119.4377 57.7631 41.8778 179.2681 18 E 3.9907 8.1695 118.5676 59.4841 29.1940 179.6489 19 R 4.0020 7.6383 116.6679 58.6665 30.1472 178.3145 20 A 4.2745 7.6343 119.3672 51.3901 18.9620 177.7290 21 Q 4.4495 8.2194 112.2764 55.8197 30.5937 178.7737 22 G 3.8746 9.3565 117.0118 46.8434 0.0000 175.3850 *56 N 4.7500 9.2623 125.5404 53.0818 40.4890 176.1995 57 T 4.0971 7.6904 114.1041 65.5941 69.0280 176.5361 58 L 4.1160 7.8220 121.4606 57.4903 41.8388 178.6268 59 I 3.9234 7.5204 119.5331 63.9535 37.4336 177.8313 60 R 3.9606 7.6230 119.0798 59.0903 29.3537 178.3853 61 L 4.1275 7.7446 117.4315 56.9428 41.7947 178.3626 62 A 4.1302 7.6092 118.7286 53.2258 18.7328 178.7383 63 L 4.1019 7.4795 118.8621 57.2980 42.1024 178.6574 64 K 4.0859 7.5232 116.9575 58.6750 32.1593 178.2775 65 E 4.1701 7.6033 118.7881 57.6785 29.7293 177.2163 66 L 4.6301 6.6193 119.7544 55.7954 42.7717 176.1900 67 G 3.7628 7.9265 111.7886 46.2280 0.0000 172.8979 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 3 N 8.28 4.65 0.00 2.77 2.80 0.00 0.00 6.68 5.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.40 3.79 0.00 1.94 1.77 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.55 7.81 5 R 8.81 3.98 0.00 1.91 1.92 0.00 3.22 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 6 N 8.05 4.67 0.00 2.80 2.84 0.00 0.00 6.81 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 7 V 7.19 3.70 2.18 0.00 0.00 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 1.01 0.00 0.00 8 E 8.89 4.07 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 9 L 7.52 4.01 0.00 2.00 1.84 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.75 4.27 0.00 1.76 1.69 0.92 0.77 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 11 A 7.37 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.82 4.16 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 13 L 7.56 4.05 0.00 1.78 1.70 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.69 4.19 0.00 1.82 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.58 7.81 15 E 7.84 3.99 0.00 1.98 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 16 N 8.02 4.46 0.00 2.84 2.86 0.00 0.00 6.94 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.63 4.17 0.00 1.73 1.70 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.17 3.99 0.00 2.13 1.99 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 2.41 2.49 0.00 19 R 7.64 4.00 0.00 1.76 2.00 0.00 3.15 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 20 A 7.63 4.27 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.22 4.45 0.00 2.03 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 22 G 9.36 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *56 N 9.26 4.75 0.00 2.79 2.92 0.00 0.00 6.80 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.69 4.10 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 58 L 7.82 4.12 0.00 1.71 1.66 0.92 1.06 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 59 I 7.52 3.92 2.00 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 1.52 0.66 0.91 0.00 0.00 60 R 7.62 3.96 0.00 2.01 1.91 0.00 3.09 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 61 L 7.74 4.13 0.00 1.77 1.69 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.61 4.13 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.48 4.10 0.00 1.96 1.84 0.92 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.52 4.09 0.00 1.90 1.85 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.63 7.81 65 E 7.60 4.17 0.00 2.14 1.97 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 2.30 2.45 0.00 66 L 6.62 4.63 0.00 1.93 1.71 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.93 3.76 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.