NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4194 8.3193 115.2898 58.2170 63.3984 173.6845 2 S 4.0531 8.5643 119.4117 58.6119 63.7930 172.6767 3 N 4.6417 8.4983 123.0535 52.2455 40.3876 176.0099 4 A 4.0090 8.5816 131.0047 55.2837 18.5221 178.9221 5 K 3.9457 7.9715 117.6123 59.5591 32.3340 179.0846 6 I 3.7509 7.6659 119.7997 64.4580 37.1541 177.9516 7 D 4.3821 8.0664 119.6815 57.3069 40.5760 178.6713 8 Q 3.9887 8.1285 120.4910 59.0042 29.1137 178.1956 9 L 4.0277 8.0630 120.9370 58.6731 40.5087 179.2645 10 S 4.0904 8.1297 114.2989 61.1605 62.2468 175.9995 11 S 4.0835 8.1485 115.9348 61.4886 62.0623 175.8977 12 D 4.3162 8.3213 121.4222 57.2615 40.5593 178.6595 13 A 3.9753 8.0982 121.2568 55.2231 18.4217 179.7523 14 Q 3.9446 8.0468 116.5497 59.5057 28.8111 179.1668 15 T 3.8786 8.2029 116.7170 66.4440 68.4014 176.6709 16 A 3.9709 8.2698 122.9658 55.0020 18.4127 179.0979 17 N 4.1863 8.2823 115.3331 56.8610 39.0619 176.8603 18 A 3.9898 7.8928 121.9589 55.2363 18.3984 179.7826 19 K 3.9287 8.1393 116.7725 59.4277 32.0694 179.4791 20 A 3.9807 8.2093 121.1686 55.1990 18.3078 179.3315 21 D 4.2969 8.0875 117.4170 57.6192 40.9338 178.9108 22 Q 3.9337 8.0979 119.7169 59.1341 29.0906 178.0874 23 A 4.0110 8.3206 122.1374 55.3349 18.3819 179.8544 24 S 4.1053 8.2899 113.7164 61.6121 62.8710 176.5508 25 N 4.3190 8.1801 119.2478 56.6398 38.3161 177.2407 26 D 4.3837 8.2987 119.8900 57.0855 40.8433 178.7720 27 A 3.9805 8.0620 121.4604 55.3157 18.5048 179.4770 28 N 4.3075 8.3933 114.8518 56.2374 38.5599 177.5902 29 A 3.9666 8.0277 122.1411 55.0590 18.4179 179.4685 30 A 3.9624 8.1679 119.3708 55.5090 18.4505 180.1287 31 R 3.8813 8.1577 116.4944 59.2542 30.0680 179.3277 32 S 4.0940 7.9351 113.0067 61.5203 62.3521 175.9950 33 D 4.3860 8.2816 121.4177 57.0935 40.5217 178.5857 34 A 3.9680 8.3692 121.9408 55.1559 18.2787 179.4931 35 Q 3.8967 8.2146 117.9450 59.1212 29.1453 178.1747 36 A 3.9543 8.0495 121.6818 55.0753 18.3962 179.4629 37 A 3.9445 8.2465 119.4101 55.2969 18.5045 180.0257 38 K 3.9247 8.1559 116.9809 59.7400 32.1288 179.3732 39 D 4.3623 8.3985 119.4655 57.4420 40.7573 178.3824 40 D 4.3526 8.3143 118.3391 57.0685 41.1861 178.1602 41 A 4.0084 8.2905 121.4429 54.9344 18.3373 179.4790 42 A 3.9700 8.1899 119.4676 55.0808 18.3846 179.8105 43 R 3.8015 8.0176 117.1818 59.4733 30.1832 178.6136 44 A 3.9812 7.9364 120.4469 55.4063 18.4412 179.3908 45 N 4.3129 8.1699 114.9972 56.4451 38.5593 177.5090 46 Q 3.9800 8.3036 121.1482 59.1512 28.9251 178.3859 47 R 3.9452 7.9519 118.3922 59.0501 30.1952 178.4839 48 L 4.1000 8.0424 120.1889 58.3389 41.9173 178.8402 49 D 4.4161 8.1363 117.6108 56.6065 40.7409 177.3879 50 N 4.7760 7.6452 114.9703 52.3211 39.1616 175.1787 51 M 4.1452 7.1244 120.6806 55.2050 32.6390 176.2970 52 A 4.0825 8.3287 127.4121 52.7991 19.5860 178.4652 *53 T 4.1583 8.2947 111.5081 61.0898 69.2377 174.4287 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 1 S 8.32 4.42 0.00 3.85 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 2 S 8.56 4.05 0.00 4.10 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 3 N 8.50 4.64 0.00 2.82 2.74 0.00 0.00 6.92 7.99 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 4 A 8.58 4.01 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 5 K 7.97 3.95 0.00 1.83 1.81 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.53 7.81 6 I 7.67 3.75 2.03 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 1.64 0.41 0.91 0.00 0.00 7 D 8.07 4.38 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.13 3.99 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 9 L 8.06 4.03 0.00 1.97 1.91 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.13 4.09 0.00 4.00 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 11 S 8.15 4.08 0.00 3.94 4.01 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 0.00 0.00 0.00 12 D 8.32 4.32 0.00 2.92 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.10 3.98 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 14 Q 8.05 3.94 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 15 T 8.20 3.88 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 16 A 8.27 3.97 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 17 N 8.28 4.19 0.00 2.90 2.96 0.00 0.00 7.13 7.76 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 18 A 7.89 3.99 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 19 K 8.14 3.93 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.66 7.81 20 A 8.21 3.98 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 21 D 8.09 4.30 0.00 2.94 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 22 Q 8.10 3.93 0.00 2.23 2.23 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 2.35 2.25 0.00 23 A 8.32 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 24 S 8.29 4.11 0.00 4.01 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 25 N 8.18 4.32 0.00 2.94 2.87 0.00 0.00 7.03 8.11 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 26 D 8.30 4.38 0.00 2.87 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 3.98 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 28 N 8.39 4.31 0.00 2.93 2.88 0.00 0.00 6.95 7.64 0.00 0.00 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 A 8.03 3.97 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 30 A 8.17 3.96 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 31 R 8.16 3.88 0.00 2.04 1.99 0.00 3.13 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 32 S 7.94 4.09 0.00 4.02 4.01 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 0.00 0.00 0.00 33 D 8.28 4.39 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.37 3.97 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 35 Q 8.21 3.90 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 36 A 8.05 3.95 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 37 A 8.25 3.94 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 38 K 8.16 3.92 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.68 7.81 39 D 8.40 4.36 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.35 0.00 2.91 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 41 A 8.29 4.01 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 42 A 8.19 3.97 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 43 R 8.02 3.80 0.00 2.01 2.14 0.00 3.10 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 1.63 1.65 0.00 44 A 7.94 3.98 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 45 N 8.17 4.31 0.00 2.89 2.88 0.00 0.00 6.72 7.93 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 46 Q 8.30 3.98 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 47 R 7.95 3.95 0.00 1.98 1.98 0.00 3.22 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 48 L 8.04 4.10 0.00 1.86 1.84 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.14 4.42 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.65 4.78 0.00 2.77 2.83 0.00 0.00 7.03 7.14 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 51 M 7.12 4.15 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.49 0.00 52 A 8.33 4.08 1.23 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 0.00 0.00 *53 T 8.29 4.16 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 * Residues marked with a * may have inaccurate shift predictions.