NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2543 8.3149 121.7913 56.2969 33.2872 174.9399 3 V 4.2186 8.2445 119.4070 59.8670 33.6803 170.2880 4 V 4.3652 8.8514 116.8658 60.1418 34.1599 174.8576 5 V 4.5417 8.3846 124.6833 61.5185 32.9284 174.8706 6 L 4.6586 8.8902 128.9509 52.9245 43.2760 175.7347 7 E 4.7811 8.7534 123.8318 56.2765 30.5448 176.7339 8 A 4.6981 9.0500 125.1053 50.6028 22.5641 177.7892 9 K 4.0333 8.7725 121.4762 58.9954 32.2912 177.7290 10 N 4.5940 8.7510 113.6953 52.0722 37.8128 172.9331 11 G 3.5043 7.5880 105.3348 43.8760 0.0000 173.8876 12 N 4.6957 8.8302 123.4940 53.6106 40.1727 173.8728 13 V 4.7843 8.6775 121.7252 60.8368 34.0522 174.4264 14 T 5.0372 8.5295 124.0553 62.1550 70.2138 173.7043 15 F 4.8073 9.2660 128.3181 56.2572 42.2360 173.1012 16 D 4.7674 7.3846 124.9543 52.6017 43.0289 175.9097 17 H 4.1184 8.8938 124.2778 58.8458 28.8734 177.7907 18 K 3.9495 8.2366 119.9569 59.3646 32.1335 178.7102 19 K 3.9925 7.7983 116.3424 58.8395 32.1015 177.3687 20 H 4.7441 7.9984 114.7543 55.2690 28.9691 176.3606 21 A 4.0054 7.7510 124.5818 54.8389 18.1819 179.3241 22 G 3.9956 7.8794 101.7899 45.4216 0.0000 174.3128 23 V 3.8524 7.4063 114.2824 60.2966 32.2172 175.6475 24 K 4.1428 8.3908 123.5079 58.1823 32.6307 177.3481 25 G 4.0233 8.8079 114.2216 44.4086 0.0000 174.1531 26 E 3.6177 7.9558 119.8427 57.4066 29.2816 177.8264 27 C 4.3054 8.7516 122.0095 63.8692 27.3072 175.1323 28 K 5.0692 8.3749 116.0830 56.8358 31.7698 178.6862 29 A 4.2652 8.0177 122.6319 54.6028 18.4542 178.3759 30 C 4.9604 7.6725 107.2521 59.7389 31.0048 173.7075 31 H 4.9881 8.2083 115.9265 53.4545 31.0786 175.0902 32 E 3.9731 8.7755 121.5985 59.0899 29.9154 176.0686 32A T 4.7580 7.4402 106.8405 59.6577 71.9804 173.8652 33 E 4.0754 8.7416 118.3704 58.5855 29.6120 178.0960 34 A 3.9022 7.9501 122.9126 53.0107 18.6059 178.8985 35 G 3.6028 7.6650 104.5213 44.5508 0.0000 172.3124 36 G 3.8595 7.7292 104.2513 45.0145 0.0000 172.3591 37 K 4.0056 8.0532 118.6795 56.4845 32.7502 176.9390 38 I 4.0440 7.7979 121.8990 59.2609 37.7125 176.3741 39 A 3.8511 8.5475 129.8028 55.1185 18.2286 178.4155 40 G 3.5225 7.4119 101.5002 46.1521 0.0000 173.5207 41 M 3.5727 7.3615 120.6225 54.3911 32.6385 176.0241 42 G 4.0851 8.4895 113.6605 44.2926 0.0000 172.7301 43 K 3.7379 8.2244 119.3680 59.7891 32.0380 178.2719 44 D 4.3454 8.0215 118.3795 57.1397 40.7880 178.4656 45 W 4.0348 8.2205 128.2097 60.2758 30.2961 177.8247 46 A 3.9376 8.4878 120.8623 55.6066 17.6516 179.3772 47 H 4.2497 8.5986 115.2172 58.6563 28.5470 178.1057 48 K 3.7502 7.8513 121.0818 59.7076 32.2230 179.0462 49A T 3.4353 7.4553 115.9959 66.2661 68.5894 176.4763 *51 C 4.3231 7.7907 116.9741 60.1125 30.3492 176.3740 52 T 3.9073 7.5797 114.9921 66.3322 67.9423 176.9510 53 G 3.8122 7.3462 109.2291 47.3499 0.0000 175.2449 54 C 4.1038 7.7658 121.0723 62.3224 31.6927 175.1692 55 H 4.9496 7.8860 118.6564 58.4427 28.0814 177.9711 56 K 3.9944 8.1427 119.2559 59.4033 31.9778 178.7274 57 E 4.0574 8.0977 118.4492 59.3608 29.7004 178.1470 58 M 4.3397 8.2638 116.4062 54.8480 32.3762 176.8822 59 G 3.9955 7.8376 106.1542 46.0010 0.0000 173.5671 60 K 4.4541 7.7436 117.4024 55.4235 35.9061 177.0300 61 G 3.9447 8.6995 107.8143 44.1808 0.0000 171.2109 62 P 4.5737 0.0000 0.0000 62.8478 31.7426 176.3826 63 T 4.5577 8.7521 110.2607 60.8830 70.3383 173.8808 64 K 4.5776 7.8963 122.0379 54.8111 34.3718 176.6719 65 C 3.9926 8.9544 120.3982 63.2948 28.0562 176.7107 66 G 3.7519 7.9637 105.0614 47.3789 0.0000 174.3848 67 E 4.1463 8.0815 119.1690 58.5898 29.9869 177.5097 68 C 4.4312 8.1232 115.4200 61.6457 29.4290 173.3529 69 H 4.9481 8.1646 119.9270 54.2767 26.9069 175.6316 70 K 4.0458 8.3907 122.5438 57.5025 32.8181 175.3610 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 K 8.31 4.25 0.00 1.75 1.82 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.43 7.81 3 V 8.24 4.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.95 0.00 0.00 4 V 8.85 4.37 2.23 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 0.97 0.00 0.00 1.05 0.00 0.00 5 V 8.38 4.54 2.11 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 0.82 0.00 0.00 0.96 0.00 0.00 6 L 8.89 4.66 0.00 1.73 1.61 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.75 4.78 0.00 1.86 1.89 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 2.33 2.33 0.00 8 A 9.05 4.70 1.44 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 0.00 0.00 0.00 9 K 8.77 4.03 0.00 1.75 1.89 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.43 7.81 10 N 8.75 4.59 0.00 2.77 2.87 0.00 0.00 6.09 7.00 0.00 0.00 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 G 7.59 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.83 4.70 0.00 2.69 2.79 0.00 0.00 6.60 7.68 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 13 V 8.68 4.78 2.11 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 1.38 0.00 0.00 0.83 0.00 0.00 14 T 8.53 5.04 4.27 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 1.23 0.00 0.00 15 F 9.27 4.81 0.00 3.14 2.90 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 16 D 7.38 4.77 0.00 2.61 2.26 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.89 4.12 0.00 3.34 3.41 0.00 5.88 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.24 3.95 0.00 1.78 1.97 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.47 7.81 19 K 7.80 3.99 0.00 1.74 1.69 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.44 7.81 20 H 8.00 4.74 0.00 3.44 3.46 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.75 4.01 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 22 G 7.88 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 0.00 0.00 0.00 23 V 7.41 3.85 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 0.90 0.00 0.00 1.07 0.00 0.00 24 K 8.39 4.14 0.00 1.72 1.74 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 25 G 8.81 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 26 E 7.96 3.62 0.00 2.18 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 27 C 8.75 4.31 0.00 3.05 3.08 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 0.00 0.00 0.00 28 K 8.37 5.07 0.00 2.04 1.88 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.65 1.39 7.81 29 A 8.02 4.27 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.67 4.96 0.00 2.83 2.96 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 31 H 8.21 4.99 0.00 3.34 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.78 3.97 0.00 1.92 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 2.30 2.37 0.00 32A T 7.44 4.76 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 33 E 8.74 4.08 0.00 2.11 2.15 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 2.28 2.32 0.00 34 A 7.95 3.90 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 35 G 7.67 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.73 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 37 K 8.05 4.01 0.00 1.70 1.68 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.37 7.81 38 I 7.80 4.04 1.37 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.84 -0.16 0.00 0.00 39 A 8.55 3.85 1.19 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 0.00 0.00 0.00 0.00 0.00 40 G 7.41 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 41 M 7.36 3.57 0.00 1.77 1.65 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 42 G 8.49 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.22 3.74 0.00 1.79 1.80 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.21 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.19 7.81 44 D 8.02 4.35 0.00 2.78 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 45 W 8.22 4.03 0.00 3.41 3.20 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 0.00 0.00 0.00 0.00 46 A 8.49 3.94 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.60 4.25 0.00 3.20 3.32 0.00 5.64 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 48 K 7.85 3.75 0.00 1.82 1.79 0.00 1.49 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.23 1.37 7.81 49A T 7.46 3.44 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 0.59 0.00 0.00 *51 C 7.79 4.32 0.00 2.99 2.89 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 52 T 7.58 3.91 4.39 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 1.18 0.00 0.00 53 G 7.35 3.81 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 0.00 0.00 0.00 54 C 7.77 4.10 0.00 3.00 2.93 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 0.00 0.00 0.00 0.00 55 H 7.89 4.95 0.00 3.38 3.47 0.00 5.70 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 56 K 8.14 3.99 0.00 1.90 1.86 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.58 7.81 57 E 8.10 4.06 0.00 1.98 2.18 0.00 0.00 0.00 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 2.39 0.00 58 M 8.26 4.34 0.00 2.02 2.17 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 2.73 2.55 0.00 59 G 7.84 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 0.00 0.00 0.00 60 K 7.74 4.45 0.00 1.73 1.60 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.58 7.81 61 G 8.70 3.94 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 0.00 0.00 0.00 62 P 0.00 4.57 0.00 2.23 2.09 0.00 3.45 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 63 T 8.75 4.56 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 1.24 0.00 0.00 64 K 7.90 4.58 0.00 1.87 1.75 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.38 7.81 65 C 8.95 3.99 0.00 3.01 3.05 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 0.00 0.00 0.00 0.00 66 G 7.96 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.08 4.15 0.00 2.18 2.03 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 2.35 2.29 0.00 68 C 8.12 4.43 0.00 2.92 2.86 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 0.00 0.00 0.00 69 H 8.16 4.95 0.00 3.28 3.29 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.39 4.05 0.00 1.78 1.87 0.00 1.65 0.00 0.00 1.96 0.00 0.00 3.19 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.21 1.23 7.81 * Residues marked with a * may have inaccurate shift predictions.