NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4123 8.3344 116.7949 58.3348 65.3517 173.3557 2 E 4.1301 7.7565 122.4578 55.6480 30.5572 172.3802 3 E 4.6978 7.9477 122.1464 54.3676 34.5435 172.6322 4 P 4.4841 0.0000 0.0000 62.0928 32.6653 175.9396 5 P 4.6018 0.0000 0.0000 62.2124 27.7364 176.6534 6 I 3.6814 7.4159 123.3442 65.0715 38.6967 177.0215 7 S 4.1412 8.0288 115.4638 61.2427 62.4012 176.3160 8 L 3.9804 7.6414 122.1614 57.9067 42.0755 177.8602 9 D 4.4629 7.9672 116.9801 57.4420 41.5029 177.8955 10 L 4.1762 8.1146 119.4988 57.6828 41.7655 179.4311 11 T 3.8315 7.7173 117.9091 63.3680 68.2456 174.6739 *13 H 4.7022 8.0729 121.1013 56.3376 32.3943 173.8238 14 L 4.2626 7.5127 120.4798 54.1178 39.4676 177.7235 *16 R 4.4121 7.6192 114.3386 55.5337 32.3369 175.2340 17 E 4.4929 8.2098 117.2459 57.5926 31.5863 178.0409 18 V 3.9423 7.6866 116.9789 62.8939 32.1452 176.4802 19 L 4.5266 7.6112 119.9919 56.3478 43.7977 177.5307 20 E 3.8968 7.9629 118.6082 59.3686 29.6909 178.2662 21 M 3.9687 7.9993 117.9917 58.5502 32.3838 177.9171 22 A 3.9787 7.9496 120.4014 55.3745 18.5502 179.6438 23 R 3.8675 8.1504 116.4654 59.2147 30.0242 179.2474 24 A 3.9481 8.1874 120.6241 55.2840 18.3909 179.3714 25 E 3.8568 8.4414 118.1213 59.3177 29.6439 178.8599 26 Q 3.9393 8.1812 119.8359 59.1335 29.1927 178.0893 27 L 4.0238 8.3200 120.2206 57.2973 41.4868 179.4160 28 A 3.9929 8.1849 121.1857 54.9984 18.6158 179.1419 29 Q 3.8925 8.1975 118.3632 59.6684 29.0563 178.5255 30 Q 3.9951 8.2891 119.4871 58.1646 28.9928 177.8351 31 A 3.9590 7.9386 122.2565 55.5322 18.5369 179.0256 32 H 4.2788 8.4563 116.8861 59.0839 29.9376 177.0164 33 S 4.0660 8.3389 115.2621 61.8395 62.1634 176.1184 34 N 4.3617 8.3825 119.0262 56.1271 38.1873 177.5821 35 R 3.8846 8.2846 120.8462 59.0082 30.2426 178.5360 36 K 3.8939 8.1964 119.7946 59.3405 32.2721 178.8989 37 L 3.9618 7.9970 119.3217 58.1582 41.3743 179.2886 38 M 4.0647 8.1136 117.0696 58.4295 32.2506 177.5545 39 E 4.0308 8.2401 119.0923 58.7934 29.7344 178.5040 40 I 3.8464 7.2636 117.8247 63.7937 38.2798 175.7812 41 I 4.0712 7.4926 122.4038 61.2311 38.0084 174.9471 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 8.33 4.41 0.00 3.88 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 2 E 7.76 4.13 0.00 2.01 1.83 0.00 0.00 0.00 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 2.34 0.00 3 E 7.95 4.70 0.00 1.95 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 2.22 2.29 0.00 4 P 0.00 4.48 0.00 2.17 2.06 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 5 P 0.00 4.60 0.00 2.29 2.26 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 6 I 7.42 3.68 1.87 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 1.59 0.91 0.00 0.00 7 S 8.03 4.14 0.00 3.90 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.64 3.98 0.00 1.64 1.69 0.92 1.17 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 9 D 7.97 4.46 0.00 2.82 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.11 4.18 0.00 1.85 1.71 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.72 3.83 4.46 0.00 0.00 0.00 0.00 0.00 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 *13 H 8.07 4.70 0.00 3.14 3.43 0.00 5.73 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 14 L 7.51 4.26 0.00 1.79 1.62 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 *16 R 7.62 4.41 0.00 2.01 2.02 0.00 3.19 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 2.01 0.00 17 E 8.21 4.49 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 18 V 7.69 3.94 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 0.91 0.00 0.00 0.93 0.00 0.00 19 L 7.61 4.53 0.00 1.69 1.63 0.92 0.87 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 20 E 7.96 3.90 0.00 2.08 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 0.00 2.37 2.36 0.00 21 M 8.00 3.97 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 22 A 7.95 3.98 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 23 R 8.15 3.87 0.00 1.89 1.99 0.00 3.30 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 24 A 8.19 3.95 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 25 E 8.44 3.86 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 26 Q 8.18 3.94 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 27 L 8.32 4.02 0.00 1.91 1.70 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.18 3.99 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 29 Q 8.20 3.89 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 30 Q 8.29 4.00 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.61 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 31 A 7.94 3.96 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 32 H 8.46 4.28 0.00 3.35 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.34 4.07 0.00 3.97 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.38 4.36 0.00 2.89 2.85 0.00 0.00 6.80 7.42 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 35 R 8.28 3.88 0.00 1.91 1.96 0.00 3.20 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 36 K 8.20 3.89 0.00 2.06 1.74 0.00 1.63 0.00 0.00 1.47 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.48 7.81 37 L 8.00 3.96 0.00 1.81 1.69 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.11 4.06 0.00 2.02 2.14 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 2.61 2.54 0.00 39 E 8.24 4.03 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 40 I 7.26 3.85 2.07 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 1.40 1.19 0.96 0.00 0.00 41 I 7.49 4.07 1.87 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 1.38 0.95 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.