NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3547 8.1233 123.5816 51.7820 19.6043 177.5049 5 L 3.8380 8.4900 124.0122 57.8413 41.6363 177.8540 6 L 3.8785 8.7029 119.7807 57.8139 41.9254 179.4643 7 R 3.9274 7.8612 117.4038 59.3237 30.1828 178.6897 8 Q 3.9587 7.8611 117.1556 59.0543 28.7683 179.0230 9 A 3.6770 8.6169 122.4857 55.6692 18.3706 178.4079 10 Y 3.7875 8.2099 118.3532 60.6806 38.5360 178.1908 11 S 4.1892 8.7664 116.9870 61.7840 63.3388 176.7936 12 A 4.0630 8.1646 122.0072 55.6147 18.3050 178.4227 13 L 4.2771 7.7686 115.8367 56.4021 42.4262 178.1929 14 F 4.8214 7.3674 121.3373 60.5184 39.2880 176.9435 15 R 3.4759 7.3581 121.0362 58.7709 30.2720 176.8301 16 R 4.0928 7.7371 125.2374 55.9986 29.5102 176.9658 17 T 3.8679 8.5884 124.3087 66.6952 68.3498 176.2739 18 S 4.1946 8.0309 116.0318 61.7747 63.3128 176.5636 19 T 4.0123 8.1873 113.7958 63.7576 68.4857 176.4020 20 F 4.0492 8.3027 123.3401 61.1787 39.4427 176.7654 21 A 4.1298 8.0545 120.5403 55.1724 18.2219 179.1670 22 L 3.8818 8.0462 118.8723 58.6804 41.9408 179.5377 23 T 3.7926 8.1459 115.8630 66.6385 68.3716 176.6757 24 V 3.3323 7.5922 120.1759 66.4884 31.4052 177.7820 25 V 3.6050 8.1007 118.1605 65.6101 31.3818 177.4252 26 L 4.0538 8.2886 119.9584 58.4049 41.9937 179.7149 27 G 3.6055 9.0014 106.3547 47.6566 0.0000 175.6214 28 A 4.0446 8.2359 123.4002 54.8363 18.2570 179.5068 29 V 3.5587 7.9299 116.7679 66.3832 31.6820 178.1496 30 L 4.0107 7.9796 118.1811 57.8327 41.6136 179.1391 31 F 4.1030 8.3419 120.5015 62.2628 39.2300 175.8449 32 E 3.9164 9.2746 118.5419 58.5241 28.9869 179.2228 33 R 3.7204 8.0557 117.4836 59.1358 31.0025 178.4891 34 A 4.0059 7.8638 120.2336 54.8586 18.8782 179.2980 35 F 3.7899 8.2564 119.4679 61.5943 39.1662 176.7062 36 D 4.2446 8.6443 119.2313 56.7378 40.5430 178.3004 37 Q 4.0174 7.9674 118.4977 59.3010 28.9650 180.2299 38 G 3.5004 8.0829 105.9485 47.7814 0.0000 175.4696 39 A 3.8269 7.4178 123.1894 54.7351 18.2422 179.4558 40 D 4.2971 8.3030 117.4591 57.4338 40.9473 178.6609 41 A 4.0051 8.1982 121.5127 55.3655 18.3124 179.7537 42 I 3.6382 8.1532 118.3397 64.4339 36.9996 178.3239 43 F 4.1370 8.4830 120.2081 61.4068 39.5205 176.6000 44 E 3.9979 9.0153 118.5555 59.7695 29.1259 178.6392 45 H 4.1913 8.0076 116.5891 59.5469 29.9764 176.8434 46 L 4.1047 7.8837 118.4842 56.3042 42.5284 176.7725 47 N 4.9589 8.3915 116.5249 51.7568 39.2246 174.5000 48 E 3.9854 7.9887 117.3711 57.7343 30.4460 178.2006 49 G 3.9893 8.7518 109.8728 46.2060 0.0000 174.1112 50 K 4.2701 7.7424 118.6892 57.3978 33.2522 177.4106 51 L 4.3660 7.3443 118.1093 53.5971 42.6959 177.5825 52 W 4.1436 8.7698 130.0103 60.3909 30.3990 177.8820 53 K 3.8137 8.2977 118.5542 60.8796 31.2089 177.2233 54 H 4.4391 8.0575 116.4908 57.6698 28.7205 177.1034 55 I 3.1980 7.5119 115.9420 62.9586 37.5531 177.7264 56 K 2.5154 7.2790 122.6946 59.7622 31.9485 177.6924 57 H 4.2439 7.2914 114.5299 58.8070 27.8855 177.3174 58 K 3.9145 7.4498 119.5273 58.1941 31.7641 176.9093 59 Y 4.7009 7.5727 113.6271 56.8466 39.9536 174.6906 60 E 4.4111 8.8702 118.2157 53.5896 30.6811 174.3678 61 A 4.6790 8.3179 134.1537 51.4382 20.2189 176.4465 62 S 4.1536 8.3379 121.3364 61.6290 63.9117 174.9988 *63 E 4.1354 8.0717 121.3150 56.0721 30.1640 180.4053 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 4 A 8.12 4.35 1.30 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 0.00 0.00 0.00 5 L 8.49 3.84 0.00 1.79 1.72 0.93 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.70 3.88 0.00 1.70 1.77 0.96 1.04 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 7 R 7.86 3.93 0.00 1.85 1.97 0.00 3.11 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 8 Q 7.86 3.96 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 9 A 8.62 3.68 0.99 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 10 Y 8.21 3.79 0.00 3.21 3.08 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 0.00 0.00 0.00 0.00 11 S 8.77 4.19 0.00 4.07 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 12 A 8.16 4.06 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.77 4.28 0.00 1.15 1.60 0.73 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.37 4.82 0.00 2.87 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 7.36 3.48 0.00 1.42 1.75 0.00 3.52 0.00 0.00 3.21 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.42 0.00 16 R 7.74 4.09 0.00 1.88 1.84 0.00 3.28 0.00 0.00 3.34 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 17 T 8.59 3.87 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 1.13 0.00 0.00 18 S 8.03 4.19 0.00 4.07 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.19 4.01 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 1.22 0.00 0.00 20 F 8.30 4.05 0.00 3.18 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 21 A 8.05 4.13 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.05 3.88 0.00 1.98 1.77 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.15 3.79 4.28 0.00 0.00 0.00 0.00 0.00 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 24 V 7.59 3.33 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 0.80 0.00 0.00 25 V 8.10 3.61 2.23 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 0.95 0.00 0.00 0.94 0.00 0.00 26 L 8.29 4.05 0.00 1.82 1.67 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 27 G 9.00 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 28 A 8.24 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.93 3.56 2.34 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 1.05 0.00 0.00 0.98 0.00 0.00 30 L 7.98 4.01 0.00 1.82 1.75 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.34 4.10 0.00 3.22 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.27 3.92 0.00 2.27 2.03 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 2.53 2.42 0.00 33 R 8.06 3.72 0.00 1.89 2.07 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 34 A 7.86 4.01 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.26 3.79 0.00 1.84 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 36 D 8.64 4.24 0.00 2.68 2.63 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 37 Q 7.97 4.02 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 38 G 8.08 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.42 3.83 0.98 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 40 D 8.30 4.30 0.00 2.80 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 41 A 8.20 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.15 3.64 2.04 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.77 0.94 0.00 0.00 43 F 8.48 4.14 0.00 2.98 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 9.02 4.00 0.00 2.06 2.05 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 0.00 2.47 2.62 0.00 45 H 8.01 4.19 0.00 3.18 3.55 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.88 4.10 0.00 1.73 1.60 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.39 4.96 0.00 2.33 2.52 0.00 0.00 6.85 8.01 0.00 0.00 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 E 7.99 3.99 0.00 1.87 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.15 0.00 49 G 8.75 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 50 K 7.74 4.27 0.00 1.82 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.50 7.81 51 L 7.34 4.37 0.00 1.36 1.54 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.77 4.14 0.00 3.44 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.30 3.81 0.00 1.85 1.84 0.00 1.89 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.62 7.81 54 H 8.06 4.44 0.00 3.32 3.13 0.00 5.70 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.51 3.20 1.87 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.15 0.90 0.00 0.00 56 K 7.28 2.52 0.00 1.12 1.61 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.36 7.81 57 H 7.29 4.24 0.00 3.26 3.51 0.00 5.52 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.45 3.91 0.00 0.79 0.92 0.00 1.51 0.00 0.00 1.49 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.34 7.81 59 Y 7.57 4.70 0.00 3.04 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.87 4.41 0.00 2.25 2.05 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 0.00 2.38 2.25 0.00 61 A 8.32 4.68 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.34 4.15 0.00 4.01 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 *63 E 8.07 4.14 0.00 1.76 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.