NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.5038 8.2876 117.8407 55.1467 30.2319 171.7775 *11 P 4.6073 0.0000 0.0000 63.0918 32.9203 176.4675 12 V 4.6886 8.8637 112.4622 59.6078 35.7318 174.7848 13 L 5.1300 8.5737 121.2664 53.1801 44.4966 176.5417 14 L 4.5973 8.7518 122.1727 53.1595 43.5493 174.7040 15 K 4.7149 8.3492 125.2307 53.9491 34.4040 175.5445 16 S 4.1741 9.0506 123.4556 58.6995 62.5851 175.1823 17 T 3.9014 8.6391 118.1485 64.5567 68.9751 175.5285 18 E 4.1574 8.1227 120.8754 58.0475 29.8263 177.2288 19 T 4.3056 7.7457 106.5250 60.4800 70.4027 175.4500 20 G 3.7684 8.1528 109.5519 45.4616 0.0000 173.3018 21 Q 4.4109 7.4823 119.1872 55.3764 30.5084 174.6072 22 Y 5.0365 8.9688 120.7493 56.5880 40.2505 175.1459 23 L 4.7495 8.9591 123.7786 54.9176 43.2109 176.0834 24 R 4.9391 9.2113 123.1729 54.6814 33.6463 173.7215 25 I 4.7626 8.1146 126.8391 59.7174 38.5294 175.6956 26 N 4.5354 9.1746 125.5565 51.8575 39.3401 174.5751 27 P 4.1757 0.0000 0.0000 65.8447 31.4194 177.3045 28 D 4.4974 7.9689 114.5252 53.6456 39.5335 177.0794 29 G 3.9762 8.3147 109.6853 45.3427 0.0000 174.1445 30 T 4.2689 8.1423 110.4969 61.4899 70.4294 173.7575 31 V 5.0471 8.2187 122.4315 61.4831 34.4185 174.1300 32 D 4.7136 8.9576 125.9269 52.6987 43.0089 173.7190 33 G 4.5472 8.6313 104.6232 45.1891 0.0000 172.8008 34 T 4.8720 8.7934 115.3705 60.5027 71.3104 174.3111 35 R 4.5787 8.6724 124.0279 56.0803 30.7959 176.4874 36 D 4.5990 8.0809 120.0521 52.9995 39.8943 176.7767 37 R 3.4810 8.4592 127.3910 58.0741 30.2714 177.2150 38 S 4.3861 7.9770 110.6007 58.4407 64.0259 173.8026 39 D 4.3680 7.8987 123.3409 53.7295 41.0998 174.9787 40 P 4.3388 0.0000 0.0000 65.1391 31.7436 177.1689 41 H 4.4713 8.8429 116.6077 56.5691 28.6254 176.1021 42 I 4.7190 7.3129 111.6445 59.9295 37.9960 175.3043 43 Q 4.5968 7.3591 121.3596 55.4064 29.5238 175.2906 44 F 4.8594 9.3358 122.2209 55.5891 43.1224 173.7442 45 Q 4.8951 8.8075 122.6880 54.5454 30.6427 174.5986 46 I 4.4684 8.4795 127.7506 59.7099 38.6663 175.2103 47 S 4.7530 8.2700 118.7470 55.4566 66.0661 172.0838 48 P 4.3613 0.0000 0.0000 62.4757 31.7118 176.3557 49 E 4.0245 8.9431 123.1471 59.1682 29.8658 176.9753 50 G 3.7551 7.9650 110.9326 45.7325 0.0000 172.9985 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 0 H 8.29 4.50 0.00 3.21 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *11 P 0.00 4.61 0.00 2.11 2.11 0.00 3.34 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 12 V 8.86 4.69 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.04 0.00 0.00 13 L 8.57 5.13 0.00 1.67 1.74 0.70 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.75 4.60 0.00 1.47 1.48 0.09 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.35 4.71 0.00 1.63 1.59 0.00 1.43 0.00 0.00 1.31 0.00 0.00 2.82 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.01 0.57 7.81 16 S 9.05 4.17 0.00 3.84 3.79 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 0.00 0.00 0.00 0.00 17 T 8.64 3.90 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 18 E 8.12 4.16 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 19 T 7.75 4.31 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 20 G 8.15 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.48 4.41 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 22 Y 8.97 5.04 0.00 3.10 2.93 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 23 L 8.96 4.75 0.00 1.64 1.71 0.77 1.00 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 24 R 9.21 4.94 0.00 1.93 2.10 0.00 3.12 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 25 I 8.11 4.76 1.85 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.99 0.94 0.00 0.00 26 N 9.17 4.54 0.00 2.84 2.66 0.00 0.00 6.56 7.63 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 27 P 0.00 4.18 0.00 2.00 2.12 0.00 3.54 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 28 D 7.97 4.50 0.00 2.76 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 29 G 8.31 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.14 4.27 4.25 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 1.21 0.00 0.00 31 V 8.22 5.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.99 0.00 0.00 32 D 8.96 4.71 0.00 2.75 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 33 G 8.63 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.79 4.87 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 35 R 8.67 4.58 0.00 1.89 2.00 0.00 3.26 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 36 D 8.08 4.60 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.46 3.48 0.00 1.78 1.87 0.00 3.31 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.02 0.00 38 S 7.98 4.39 0.00 3.99 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 39 D 7.90 4.37 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.34 0.00 2.09 2.19 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 41 H 8.84 4.47 0.00 3.38 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.31 4.72 2.05 0.00 0.00 0.40 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 1.36 0.99 0.00 0.00 43 Q 7.36 4.60 0.00 1.80 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 44 F 9.34 4.86 0.00 3.04 2.94 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 0.00 0.00 0.00 45 Q 8.81 4.90 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 46 I 8.48 4.47 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.78 0.92 0.00 0.00 47 S 8.27 4.75 0.00 3.92 3.79 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 0.00 0.00 0.00 0.00 48 P 0.00 4.36 0.00 2.07 2.03 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 49 E 8.94 4.02 0.00 1.93 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 2.30 2.27 0.00 50 G 7.97 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.