NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2621 8.2493 123.5792 51.6738 20.1826 176.5823 3 S 4.2171 8.0844 113.4634 57.8437 64.9781 173.5282 4 R 3.8999 8.6709 122.3535 59.6390 30.2589 180.5597 5 S 4.0667 7.9440 112.4512 61.2189 62.4927 176.2242 6 V 3.6154 7.7152 120.6388 65.9637 31.3070 178.1190 7 I 3.7987 7.8501 119.6053 64.3360 36.9075 178.2158 8 R 3.9156 8.2336 119.7646 59.7611 29.8016 178.6980 9 S 4.1442 8.1918 114.7201 61.6735 62.5776 176.7722 10 I 3.7176 7.7226 121.5273 64.3327 37.0368 178.3671 11 I 3.8741 7.9136 120.5943 64.3239 36.7987 178.3786 12 K 3.9681 8.1745 119.7025 59.4025 32.1451 178.3514 13 S 4.4080 8.2231 112.6523 58.8539 63.5042 174.3909 14 S 4.4129 7.1876 117.2663 58.4816 63.6017 173.8211 15 R 4.5310 8.1960 116.7256 55.9716 29.9518 177.0763 16 L 4.1241 7.2595 118.3532 54.1221 42.3141 177.5736 17 E 4.1089 8.5415 120.1463 56.6489 31.2953 178.2771 18 E 3.9851 8.8382 122.3764 59.7255 29.6565 179.5405 19 D 4.4420 8.0624 118.5229 56.3462 39.5715 178.6516 20 R 4.1183 7.8755 119.2003 58.7283 29.9722 178.7397 21 K 4.0030 8.1255 117.9758 59.6699 32.1536 179.2730 22 R 4.0910 8.0008 117.1350 59.0791 30.2446 178.0267 23 Y 4.3847 8.1734 119.4835 60.6532 38.8159 180.5982 24 L 3.9495 7.9205 120.5418 54.7061 41.6064 179.3822 *26 T 4.1823 7.9759 110.8426 61.7350 71.0805 175.9360 27 L 3.7742 7.6302 121.9853 57.4652 41.6323 179.0720 28 L 3.1057 7.7350 120.2966 58.1086 41.6849 178.8119 29 D 4.3208 7.3198 117.1269 56.8604 40.7760 177.6536 30 D 4.5335 7.5324 117.4358 54.2061 41.6060 176.9604 31 I 3.8975 6.7679 121.0556 60.8958 37.6912 175.6081 32 K 4.4309 8.5236 123.0529 55.6656 35.5687 176.8764 33 G 3.9895 8.8054 109.6209 45.2631 0.0000 174.2841 34 A 3.9571 8.6394 122.4717 55.0126 18.4796 179.9835 35 N 4.2825 8.1236 114.5026 56.8213 38.7131 177.2918 36 D 4.4452 8.0543 119.5902 57.2063 40.9521 178.6622 37 L 4.0436 8.2102 119.5772 57.6691 41.5829 179.3844 38 A 4.1515 8.2458 120.8399 55.1563 18.1019 179.8988 39 K 3.9963 7.9405 116.1757 59.3340 32.1526 179.1634 40 F 4.1584 8.1545 120.3202 61.5314 39.6234 176.3148 41 H 4.3566 8.5838 117.9552 59.2003 29.4606 177.4063 42 Q 4.1382 8.0438 117.5311 56.9238 28.5542 177.3899 *44 L 3.9713 7.8233 121.6798 54.5491 43.7804 178.9740 45 V 3.5252 7.6940 116.4895 65.7589 31.3893 177.7864 46 K 4.0682 7.4881 117.3881 59.4841 32.2399 178.9913 47 I 3.8880 7.5939 119.3955 64.3969 36.9775 179.1679 48 I 3.6763 7.7787 117.3055 62.0808 36.1897 178.0378 *50 K 4.1919 7.9743 121.6065 56.8275 34.2924 177.8040 51 H 4.0397 8.2686 118.3186 59.3299 29.9872 176.7808 52 H 4.2414 8.4440 118.5772 59.4154 29.6822 175.7134 53 H 4.5293 7.5007 113.7313 56.9665 28.8647 175.3593 54 H 4.1897 7.2566 118.4383 56.9578 29.1939 175.7253 *55 H 4.5315 8.5283 116.4592 54.9672 28.5027 174.3795 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 A 8.25 4.26 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.08 4.22 0.00 4.13 3.99 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 4 R 8.67 3.90 0.00 1.84 2.00 0.00 3.08 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 5 S 7.94 4.07 0.00 3.88 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.72 3.62 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 1.00 0.00 0.00 0.93 0.00 0.00 7 I 7.85 3.80 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.94 1.13 0.00 0.00 8 R 8.23 3.92 0.00 1.96 2.17 0.00 3.08 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 9 S 8.19 4.14 0.00 4.08 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 10 I 7.72 3.72 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.64 0.91 0.00 0.00 11 I 7.91 3.87 2.04 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.95 0.00 0.00 12 K 8.17 3.97 0.00 1.81 1.85 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 13 S 8.22 4.41 0.00 4.05 3.97 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 14 S 7.19 4.41 0.00 3.95 4.14 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 0.00 0.00 0.00 0.00 15 R 8.20 4.53 0.00 1.89 2.04 0.00 3.27 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 16 L 7.26 4.12 0.00 1.57 1.56 0.89 0.53 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 17 E 8.54 4.11 0.00 2.02 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 2.42 2.37 0.00 18 E 8.84 3.99 0.00 1.99 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 2.41 2.33 0.00 19 D 8.06 4.44 0.00 2.89 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 20 R 7.88 4.12 0.00 2.05 2.06 0.00 3.14 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 1.71 1.72 0.00 21 K 8.13 4.00 0.00 1.95 1.90 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.24 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.49 1.68 7.81 22 R 8.00 4.09 0.00 1.98 2.03 0.00 3.20 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 23 Y 8.17 4.38 0.00 3.11 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.92 3.95 0.00 1.98 1.83 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 *26 T 7.98 4.18 4.18 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 0.00 0.00 1.30 0.00 0.00 27 L 7.63 3.77 0.00 1.92 1.81 0.91 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.73 3.11 0.00 1.32 1.43 0.48 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 29 D 7.32 4.32 0.00 2.87 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.53 4.53 0.00 2.73 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.77 3.90 1.75 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.18 0.83 0.00 0.00 32 K 8.52 4.43 0.00 1.66 1.64 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.52 7.81 33 G 8.81 3.99 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 0.00 0.00 0.00 34 A 8.64 3.96 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 35 N 8.12 4.28 0.00 2.83 2.90 0.00 0.00 7.12 8.08 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 36 D 8.05 4.45 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.21 4.04 0.00 1.90 1.89 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.25 4.15 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 39 K 7.94 4.00 0.00 1.95 1.92 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.82 7.81 40 F 8.15 4.16 0.00 3.14 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 41 H 8.58 4.36 0.00 3.34 3.51 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.04 4.14 0.00 2.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.17 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 *44 L 7.82 3.97 0.00 1.45 1.67 0.83 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.69 3.53 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 0.84 0.00 0.00 0.76 0.00 0.00 46 K 7.49 4.07 0.00 1.65 1.82 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.60 7.81 47 I 7.59 3.89 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.85 0.88 0.00 0.00 48 I 7.78 3.68 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.94 0.88 0.00 0.00 *50 K 7.97 4.19 0.00 1.97 1.86 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.37 7.81 51 H 8.27 4.04 0.00 3.20 3.49 0.00 5.59 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.44 4.24 0.00 3.15 3.22 0.00 6.00 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 H 7.50 4.53 0.00 3.27 3.28 0.00 5.75 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 H 7.26 4.19 0.00 3.18 3.19 0.00 5.69 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *55 H 8.53 4.53 0.00 2.67 2.88 0.00 5.87 0.00 0.00 0.00 0.00 6.91 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.