NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8450 8.3501 109.7324 45.0501 0.0000 173.6886 3 A 4.1283 7.9777 121.2388 51.2614 19.4158 176.1134 4 Q 4.4780 9.2557 120.6720 54.1968 31.5290 173.1910 5 V 4.4964 8.1873 123.8284 61.4186 33.4182 174.4289 6 S 4.5742 8.2841 121.3565 57.0444 66.6115 171.7361 7 T 5.1512 8.3360 116.8718 62.1660 69.7424 175.1465 8 Q 4.4262 8.9451 125.3823 54.9333 30.1008 176.0765 9 K 4.0654 8.7609 123.9402 57.0832 31.3659 175.5599 10 T 4.2775 9.4716 116.4025 60.4875 70.7137 173.8481 11 G 4.2299 7.7588 110.5251 41.9722 0.0000 172.2628 12 A 4.0998 8.0760 125.1163 52.3107 18.6321 177.4500 13 H 4.6162 8.6272 120.4816 54.4104 30.1280 175.0721 14 E 3.9672 8.6596 123.0690 56.6976 29.8787 177.8123 15 T 3.9858 8.2967 117.4526 62.0722 66.3633 172.4948 *23 S 3.9969 7.6394 122.7771 58.7900 63.6717 172.5471 24 I 4.1981 8.0360 122.2286 60.5697 36.8891 175.6833 25 I 4.5509 8.2303 127.7723 59.7450 40.2603 174.6691 26 H 5.7700 8.7406 121.0513 54.3548 31.9454 172.7161 27 Y 5.0312 8.8065 117.4726 55.8197 41.8046 174.0371 28 T 4.9137 8.6470 116.3990 61.9545 71.0368 173.5458 29 N 5.0255 9.2571 123.9667 51.8142 42.1426 172.9072 30 I 4.6572 8.0697 125.9795 59.2957 40.1603 174.9315 31 N 4.2096 8.5613 125.3827 53.0578 38.6803 174.8653 32 Y 4.2807 7.9638 121.5451 59.4551 38.5639 175.3311 33 Y 4.8844 7.5630 116.3788 55.8811 40.4157 176.4649 34 K 4.3291 8.7665 120.4022 57.6971 32.4787 176.7246 35 D 4.8282 7.8800 118.7493 52.0283 43.0863 176.5811 36 A 3.9365 8.8314 127.8651 54.8993 18.6230 179.0636 37 A 4.0376 8.0573 117.8998 55.4886 18.4655 178.8811 38 S 4.2122 8.1682 110.5711 60.4098 63.0373 174.6862 39 N 4.6335 7.7256 117.7658 52.5376 38.8952 175.0698 40 S 4.2052 8.5984 116.2490 58.5503 63.5420 174.6344 41 A 4.0543 8.3650 125.4124 52.4797 18.8916 178.8969 42 N 4.7131 8.4881 122.2876 53.7134 36.5815 174.7986 43 R 4.2835 7.7569 117.5594 57.1594 31.2908 177.5255 44 Q 3.9581 7.8471 115.6908 55.4650 29.1019 175.8744 45 D 4.4056 7.3384 120.7695 53.1020 39.6757 175.8175 46 F 4.7977 7.4012 122.7237 57.5844 39.3313 176.2951 47 T 4.1796 7.7416 117.7974 63.9131 68.7603 173.9343 48 Q 4.6686 8.1433 120.8632 55.8132 31.4129 174.2702 49 D 4.7471 8.1972 116.6494 51.3968 41.7102 173.9960 50 P 4.5766 0.0000 0.0000 65.0173 31.7463 178.4686 51 G 3.9574 7.5827 104.3949 47.7852 0.0000 175.8481 52 K 3.9538 7.7435 119.6548 58.6915 32.2609 177.8582 53 F 4.8688 7.3508 116.8028 59.4192 40.3474 176.8616 54 T 4.1390 8.3212 112.1724 64.3408 67.9535 174.4293 55 E 4.7796 8.2925 119.7812 54.4820 30.1641 174.1635 56 P 4.5859 0.0000 0.0000 62.8553 31.8397 177.1533 57 M 4.3942 7.7179 117.7578 55.2503 33.4556 176.9630 58 K 4.0245 8.7775 124.7692 59.0676 32.7078 176.6293 59 D 4.7097 7.7579 118.0505 52.1859 41.8292 176.2763 60 V 3.4830 8.3795 124.4733 63.4796 31.6345 175.6267 61 M 4.2428 8.4157 127.9366 53.9552 31.0708 175.5697 62 I 3.8202 8.0562 125.3581 60.7441 37.4877 176.9091 63 K 3.8155 9.0222 128.0851 59.8662 31.8313 177.7212 64 T 4.0863 7.8357 105.5317 62.9804 69.1648 174.2101 65 L 4.5590 7.5353 122.6040 52.3666 42.2843 174.5266 66 P 4.3373 0.0000 0.0000 62.5128 31.8562 177.3911 67 A 4.1881 8.7570 124.8612 54.3470 18.5666 177.6976 68 L 4.8271 7.1028 111.6340 53.1093 44.7925 176.1670 69 N 4.4033 8.5601 120.0099 54.1949 38.7230 173.8389 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 2 G 8.35 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 4.13 1.22 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 0.00 0.00 0.00 0.00 0.00 4 Q 9.26 4.48 0.00 1.84 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 5 V 8.19 4.50 1.93 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 0.52 0.00 0.00 0.84 0.00 0.00 6 S 8.28 4.57 0.00 3.47 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 7 T 8.34 5.15 4.32 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 1.31 0.00 0.00 8 Q 8.95 4.43 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.97 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 9 K 8.76 4.07 0.00 1.80 1.80 0.00 1.74 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.53 7.81 10 T 9.47 4.28 4.33 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 1.31 0.00 0.00 11 G 7.76 4.23 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 0.00 12 A 8.08 4.10 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 13 H 8.63 4.62 0.00 3.11 3.25 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.66 3.97 0.00 1.92 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 2.30 2.32 0.00 15 T 8.30 3.99 4.25 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 1.22 0.00 0.00 *23 S 7.64 4.00 0.00 3.67 3.73 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 24 I 8.04 4.20 1.82 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 1.32 0.94 0.80 0.00 0.00 25 I 8.23 4.55 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 1.01 0.00 0.00 26 H 8.74 5.77 0.00 3.01 3.15 0.00 5.66 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.81 5.03 0.00 2.95 2.99 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 28 T 8.65 4.91 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 1.20 0.00 0.00 29 N 9.26 5.03 0.00 2.67 2.54 0.00 0.00 6.82 8.05 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 30 I 8.07 4.66 1.74 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 1.28 0.75 0.82 0.00 0.00 31 N 8.56 4.21 0.00 2.62 2.71 0.00 0.00 7.19 7.46 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 32 Y 7.96 4.28 0.00 2.20 2.46 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 0.00 33 Y 7.56 4.88 0.00 3.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.77 4.33 0.00 1.81 1.90 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.52 7.81 35 D 7.88 4.83 0.00 2.81 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.83 3.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.04 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 38 S 8.17 4.21 0.00 4.05 3.80 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 39 N 7.73 4.63 0.00 2.82 2.77 0.00 0.00 6.95 7.22 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 40 S 8.60 4.21 0.00 3.89 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.05 1.25 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 0.00 0.00 42 N 8.49 4.71 0.00 2.68 2.78 0.00 0.00 7.13 7.65 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 43 R 7.76 4.28 0.00 1.86 2.02 0.00 3.25 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 44 Q 7.85 3.96 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.22 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 45 D 7.34 4.41 0.00 2.56 2.49 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 0.00 0.00 0.00 0.00 46 F 7.40 4.80 0.00 3.10 2.98 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 47 T 7.74 4.18 4.33 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 1.23 0.00 0.00 48 Q 8.14 4.67 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.33 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 49 D 8.20 4.75 0.00 2.69 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.58 0.00 2.25 2.20 0.00 3.70 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 51 G 7.58 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.74 3.95 0.00 1.47 1.67 0.00 1.05 0.00 0.00 1.22 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.95 0.21 7.81 53 F 7.35 4.87 0.00 3.13 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 54 T 8.32 4.14 4.32 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 1.27 0.00 0.00 55 E 8.29 4.78 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 2.24 2.23 0.00 56 P 0.00 4.59 0.00 2.19 2.13 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.19 0.00 57 M 7.72 4.39 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 58 K 8.78 4.02 0.00 1.71 1.83 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.46 7.81 59 D 7.76 4.71 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.38 3.48 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 0.79 0.00 0.00 0.92 0.00 0.00 61 M 8.42 4.24 0.00 2.05 2.03 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 2.73 2.55 0.00 62 I 8.06 3.82 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 1.30 1.20 0.91 0.00 0.00 63 K 9.02 3.82 0.00 1.71 1.87 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 64 T 7.84 4.09 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 65 L 7.54 4.56 0.00 1.83 1.63 0.92 0.79 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 66 P 0.00 4.34 0.00 2.38 2.18 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 67 A 8.76 4.19 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.10 4.83 0.00 1.58 1.54 0.92 0.92 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 69 N 8.56 4.40 0.00 2.63 2.61 0.00 0.00 6.95 7.56 0.00 0.00 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.