NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3299 8.0327 110.9400 61.0146 70.3325 174.3671 4 K 3.7597 8.4262 122.8656 58.5552 32.0218 177.3667 5 K 3.9569 8.7840 120.9658 59.5338 32.6503 178.0971 6 E 3.9735 8.1736 118.8698 59.2918 29.3547 179.3320 7 R 3.9183 8.1282 118.8871 59.4940 30.0892 178.6762 8 I 3.7355 8.2409 119.8841 64.2459 36.9808 178.2427 9 A 4.0232 8.2392 121.7446 55.1435 17.9692 179.6886 10 I 3.6634 7.6463 117.2380 64.7187 37.2998 178.2950 11 Q 4.1900 7.9767 117.3696 59.0549 28.9154 178.8556 12 R 4.4170 8.4107 119.3405 59.3532 29.7174 179.4068 13 S 3.9636 8.2416 109.3734 59.4977 62.3620 175.3741 *15 A 4.3106 7.9161 124.6589 51.9148 20.4210 179.5365 16 E 4.2375 8.3958 115.1990 59.8207 29.4696 179.5685 17 E 4.0095 8.1097 117.8876 59.1587 29.5187 179.2052 18 A 4.0251 7.9827 120.3989 55.2559 18.5840 179.5208 19 L 4.1151 8.2728 117.7209 57.7942 41.5713 179.9449 20 G 3.6779 8.3557 105.8418 47.6211 0.0000 175.6442 21 K 3.9103 8.1487 122.0610 59.2979 32.3395 178.9263 22 L 3.9307 7.8759 119.2189 57.7511 41.4560 179.6900 23 K 3.9567 8.6547 118.6393 59.3154 31.7201 179.2100 24 A 3.9479 8.0184 120.5463 55.0653 18.5669 179.3835 25 I 3.4927 7.4882 118.3031 64.4133 37.0251 178.3894 26 R 3.4159 7.3336 119.2254 59.5967 29.6085 178.4724 27 Q 4.0628 7.5873 115.8389 58.1268 28.9727 177.7545 28 L 4.3639 7.6041 118.7924 53.9957 41.9506 176.2690 29 C 4.2978 7.2251 117.9853 61.1334 28.3439 173.8840 30 G 4.2868 9.2731 110.9655 46.2607 0.0000 174.2107 31 A 4.0360 8.1185 124.9536 54.6948 18.3857 178.8732 32 E 4.2379 7.8028 112.2798 55.0704 30.8216 175.5510 33 D 4.3276 8.4131 117.9959 55.0982 41.2673 175.3950 34 S 4.6388 8.1554 119.1241 55.8453 65.5496 174.0521 35 S 4.4228 8.4626 121.0766 58.0432 64.7244 175.0034 36 D 4.4311 8.8203 125.1857 57.6900 40.6466 179.0110 37 S 4.3392 7.9426 113.4237 61.0905 63.6498 176.3119 38 S 4.3217 7.9301 118.2612 61.5376 62.7412 176.4324 39 D 4.1290 7.7830 118.5860 55.7144 40.9634 178.1642 *41 Q 4.2345 7.9266 121.8127 56.3061 31.0135 177.0690 42 E 4.0381 8.2477 117.2732 59.4770 29.3745 179.4852 43 V 3.7533 8.2598 118.6193 66.0579 31.5534 177.5296 44 E 3.9617 8.2520 118.4425 59.4436 29.5096 178.7294 45 I 3.6316 7.6265 119.1685 64.1335 37.0720 178.4196 46 W 4.2213 8.2048 119.6920 60.0670 28.8116 178.5513 47 T 3.9660 8.3921 115.9023 66.9755 67.9294 176.4282 48 N 4.3640 8.3428 118.2336 56.3366 38.5847 177.6017 49 R 3.8741 8.1232 120.1578 59.3476 30.0831 178.6720 50 I 3.8168 8.2048 120.0436 64.1340 37.0306 178.2554 51 K 4.1268 8.4654 120.9131 59.5127 32.1082 178.2532 52 E 3.9372 8.3664 119.6601 59.2953 29.4189 178.6266 53 L 3.9805 8.0150 120.1190 58.1897 42.1213 178.5719 54 E 3.7867 8.5484 118.9177 59.5995 29.4840 178.9437 55 D 4.4644 8.3833 118.9218 57.2841 40.8641 178.8864 56 W 4.0820 8.1416 128.3037 60.4174 30.5521 177.7982 57 L 3.3019 7.9063 117.7053 57.3224 41.1262 179.0832 58 W 5.0662 7.8452 115.5796 57.3842 29.5017 177.7785 59 G 4.0256 8.0089 104.6381 44.9739 0.0000 173.6104 60 E 4.4198 8.0356 119.0758 55.6059 31.8972 175.9337 61 S 3.5952 6.7268 112.9605 56.3472 63.7853 173.0658 62 P 4.2685 0.0000 0.0000 64.5661 30.9917 177.4274 63 I 4.2554 7.2244 109.9116 60.2124 37.9763 175.5538 64 A 4.2444 7.6396 129.6133 52.8193 18.1278 177.6517 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 T 8.03 4.33 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 4 K 8.43 3.76 0.00 1.93 1.85 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.56 7.81 5 K 8.78 3.96 0.00 1.86 1.79 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.53 7.81 6 E 8.17 3.97 0.00 2.24 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 2.33 2.32 0.00 7 R 8.13 3.92 0.00 1.85 2.08 0.00 3.27 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 8 I 8.24 3.74 1.96 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 1.46 0.63 0.94 0.00 0.00 9 A 8.24 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 3.66 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.72 0.93 0.00 0.00 11 Q 7.98 4.19 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 12 R 8.41 4.42 0.00 2.12 2.22 0.00 3.41 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 2.05 1.94 0.00 13 S 8.24 3.96 0.00 3.91 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 *15 A 7.92 4.31 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 16 E 8.40 4.24 0.00 2.31 2.13 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 2.82 2.58 0.00 17 E 8.11 4.01 0.00 2.06 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 2.37 2.57 0.00 18 A 7.98 4.03 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 4.12 0.00 2.00 1.83 1.12 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.36 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.15 3.91 0.00 1.89 1.99 0.00 1.50 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.50 7.81 22 L 7.88 3.93 0.00 1.93 1.79 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.65 3.96 0.00 1.92 1.86 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.64 7.81 24 A 8.02 3.95 1.29 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 0.00 0.00 25 I 7.49 3.49 1.42 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.81 -0.28 0.00 0.00 26 R 7.33 3.42 0.00 1.76 2.03 0.00 3.21 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 27 Q 7.59 4.06 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.62 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 28 L 7.60 4.36 0.00 1.71 1.63 0.85 0.63 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 29 C 7.23 4.30 0.00 2.95 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 30 G 9.27 4.29 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 0.00 0.00 0.00 31 A 8.12 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 4.24 0.00 2.09 2.01 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 0.00 2.28 2.24 0.00 33 D 8.41 4.33 0.00 2.66 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 34 S 8.16 4.64 0.00 3.94 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.46 4.42 0.00 4.10 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 36 D 8.82 4.43 0.00 2.67 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.94 4.34 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.93 4.32 0.00 4.06 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 39 D 7.78 4.13 0.00 2.91 2.72 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 *41 Q 7.93 4.23 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 42 E 8.25 4.04 0.00 2.37 2.21 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 2.41 2.54 0.00 43 V 8.26 3.75 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 1.14 0.00 0.00 1.04 0.00 0.00 44 E 8.25 3.96 0.00 2.10 2.13 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 2.38 2.43 0.00 45 I 7.63 3.63 1.87 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 1.43 0.78 0.57 0.00 0.00 46 W 8.20 4.22 0.00 3.56 3.21 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 0.00 47 T 8.39 3.97 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 48 N 8.34 4.36 0.00 2.72 2.86 0.00 0.00 6.74 7.20 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 49 R 8.12 3.87 0.00 1.89 1.86 0.00 3.20 0.00 0.00 3.05 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.67 0.00 50 I 8.20 3.82 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.89 1.00 0.00 0.00 51 K 8.47 4.13 0.00 1.94 2.07 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.54 7.81 52 E 8.37 3.94 0.00 2.08 2.13 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 2.30 2.34 0.00 53 L 8.01 3.98 0.00 1.81 1.84 0.92 0.83 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 54 E 8.55 3.79 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 55 D 8.38 4.46 0.00 2.92 2.81 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 0.00 0.00 0.00 56 W 8.14 4.08 0.00 3.43 3.40 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 57 L 7.91 3.30 0.00 0.82 0.24 0.57 0.81 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 58 W 7.85 5.07 0.00 3.24 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.01 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 0.00 0.00 0.00 60 E 8.04 4.42 0.00 1.85 1.79 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 2.11 2.21 0.00 61 S 6.73 3.60 0.00 2.72 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 62 P 0.00 4.27 0.00 2.02 2.14 0.00 3.42 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 63 I 7.22 4.26 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.52 0.92 0.00 0.00 64 A 7.64 4.24 1.29 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.