NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4108 8.1627 120.3473 55.3577 32.8417 175.5846 2 T 3.6397 8.4271 122.1655 64.3544 67.3047 174.1505 3 Q 3.9325 8.7488 122.4428 59.1246 29.5795 177.5151 4 L 3.9690 7.7951 119.5975 57.7579 41.6665 179.1233 5 E 3.8362 8.3460 118.7297 59.1810 29.2740 179.0278 6 E 3.8777 8.2844 119.4254 59.2569 29.6975 178.5552 7 Q 3.9104 8.2568 119.8459 59.0750 29.0416 177.9207 8 L 3.9037 8.1534 121.6166 58.6825 42.1546 178.6925 9 H 4.4351 8.2863 116.1662 59.0359 28.5273 177.5729 10 N 4.3483 8.4971 118.5673 56.3656 38.2982 177.6844 11 V 3.5834 8.0536 119.7632 65.9932 31.5176 177.9410 12 E 3.9874 8.4960 118.5780 59.5496 29.1433 179.5838 13 T 3.8807 7.8154 115.8800 66.3845 68.4895 176.8155 14 V 3.5559 7.9519 120.4673 66.1420 31.4869 177.8436 15 R 3.8499 8.2342 118.4800 59.5504 29.9046 178.2569 16 S 4.0769 8.2762 112.9076 61.6627 62.3431 176.2872 17 I 3.7706 8.0043 122.5752 64.5322 36.7508 178.6214 18 T 3.8554 8.2589 117.0842 66.8531 68.3160 176.4018 19 M 4.0533 8.2402 120.1496 58.5834 32.1341 178.1738 20 Q 3.9991 8.2141 118.3191 58.8771 28.9074 178.6165 21 L 3.9375 8.1513 121.3742 58.3208 41.9840 178.8743 22 E 4.0000 8.3502 118.4926 59.7923 29.3806 179.3601 23 M 4.0770 8.1587 118.5096 58.2057 31.9226 178.6993 24 A 4.0341 8.3602 121.3412 54.9563 18.4128 179.7142 25 L 3.9699 8.0071 117.7499 58.0846 41.6596 179.6434 26 T 3.8490 8.1128 115.8987 66.3667 68.3560 176.5933 27 K 3.8910 8.1946 121.5150 59.3531 31.8817 178.3427 28 L 3.9212 8.0709 120.8778 58.1797 41.7055 178.8844 29 K 3.9901 8.2099 120.5761 60.1455 32.2584 179.0307 30 K 4.0987 8.0473 122.7789 59.9150 31.7260 179.8843 31 D 4.8003 7.9902 117.2929 53.5945 41.4254 175.7805 32 M 4.0436 7.8866 122.9095 54.7999 37.5205 178.0177 *47 E 4.1546 8.3360 118.6552 55.8612 31.8911 175.5820 48 S 4.0611 8.2081 111.8827 61.3392 62.4916 175.4388 49 K 3.8607 8.1347 121.6385 59.6899 31.7634 178.3540 50 A 3.9886 8.5141 121.0274 54.9683 18.3210 179.6720 51 L 3.8938 8.0358 117.5675 57.7745 41.6601 178.9191 52 E 3.9138 8.5847 119.7087 59.6653 29.3884 179.1096 53 S 4.0743 8.2965 114.6116 61.6569 63.0761 176.3650 54 A 3.9994 8.1848 123.5250 55.5641 17.9647 179.8607 55 I 3.7137 7.8311 117.7422 64.4018 37.1412 178.4662 56 A 4.0444 8.2432 121.8018 55.1468 18.1510 179.7763 57 I 3.6832 8.0955 118.5311 64.6507 37.2924 178.4849 58 I 3.7023 7.6992 119.1132 64.2467 37.5833 177.0761 59 H 4.3639 8.2291 119.7096 58.8269 29.9629 176.0613 60 Y 4.0058 8.3371 121.2249 60.8785 38.4542 178.4370 61 V 3.6888 7.9757 117.3704 65.4341 31.9397 176.9919 62 A 4.3477 8.1615 119.1384 52.5598 18.7567 179.0647 63 G 3.5240 7.5768 107.4163 48.6862 0.0000 175.2844 64 D 4.5248 7.7881 116.6288 55.4217 41.0003 176.7397 65 L 4.2020 7.6224 118.5282 54.8100 42.1977 176.9830 66 K 4.2170 7.7668 123.4431 56.4929 32.5088 176.0367 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 M 8.16 4.41 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 2 T 8.43 3.64 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 3 Q 8.75 3.93 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 4 L 7.80 3.97 0.00 1.83 1.67 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.35 3.84 0.00 2.10 1.88 0.00 0.00 0.00 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 2.37 0.00 6 E 8.28 3.88 0.00 2.21 2.09 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 2.31 2.33 0.00 7 Q 8.26 3.91 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 8 L 8.15 3.90 0.00 1.80 1.71 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.29 4.44 0.00 3.36 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.50 4.35 0.00 2.85 2.87 0.00 0.00 6.67 8.49 0.00 0.00 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 V 8.05 3.58 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 1.11 0.00 0.00 0.95 0.00 0.00 12 E 8.50 3.99 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 13 T 7.82 3.88 4.40 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 1.21 0.00 0.00 14 V 7.95 3.56 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 1.08 0.00 0.00 0.97 0.00 0.00 15 R 8.23 3.85 0.00 1.98 2.09 0.00 3.27 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 16 S 8.28 4.08 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 17 I 8.00 3.77 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 1.52 0.60 0.91 0.00 0.00 18 T 8.26 3.86 4.37 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 1.22 0.00 0.00 19 M 8.24 4.05 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 20 Q 8.21 4.00 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 21 L 8.15 3.94 0.00 1.75 1.84 0.93 1.28 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 22 E 8.35 4.00 0.00 2.23 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 2.36 2.53 0.00 23 M 8.16 4.08 0.00 2.08 2.24 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 2.72 2.55 0.00 24 A 8.36 4.03 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 25 L 8.01 3.97 0.00 1.86 1.72 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.11 3.85 4.40 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 1.21 0.00 0.00 27 K 8.19 3.89 0.00 1.83 1.96 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.44 7.81 28 L 8.07 3.92 0.00 1.85 1.91 0.92 0.75 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 29 K 8.21 3.99 0.00 1.87 2.00 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 30 K 8.05 4.10 0.00 1.88 1.72 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.36 7.81 31 D 7.99 4.80 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.89 4.04 0.00 1.93 0.98 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 *47 E 8.34 4.15 0.00 2.26 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 0.00 2.26 2.37 0.00 48 S 8.21 4.06 0.00 3.91 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.13 3.86 0.00 1.90 2.04 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.58 7.81 50 A 8.51 3.99 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 51 L 8.04 3.89 0.00 1.94 1.73 0.92 0.56 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 52 E 8.58 3.91 0.00 2.13 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 2.32 2.38 0.00 53 S 8.30 4.07 0.00 4.04 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 54 A 8.18 4.00 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 55 I 7.83 3.71 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 1.46 0.71 0.91 0.00 0.00 56 A 8.24 4.04 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.10 3.68 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 0.76 0.94 0.00 0.00 58 I 7.70 3.70 1.90 0.00 0.00 0.88 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 1.38 1.03 0.00 0.00 59 H 8.23 4.36 0.00 3.33 3.58 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.34 4.01 0.00 3.24 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 61 V 7.98 3.69 2.24 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 0.89 0.00 0.00 1.12 0.00 0.00 62 A 8.16 4.35 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 63 G 7.58 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 7.79 4.52 0.00 2.59 2.68 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 65 L 7.62 4.20 0.00 1.69 1.68 0.90 1.02 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 66 K 7.77 4.22 0.00 1.83 2.12 0.00 1.71 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.