NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 I 4.0456 8.1245 118.5423 59.8527 37.2291 175.4121 *-5 H 4.5178 8.4219 120.8325 52.7890 29.0498 171.9531 -4 H 5.1065 9.2839 121.1504 53.5760 32.3663 172.6392 -3 H 4.9325 8.9274 120.8350 54.6570 30.8268 174.4736 -2 H 4.9475 8.7389 118.5917 55.6613 30.5968 172.3319 -1 H 4.7261 7.8879 115.4192 54.3055 31.9633 170.7586 0 H 3.7589 8.6115 123.8655 56.7783 26.5732 175.6402 -4 K 4.6965 9.1539 123.3504 54.7760 36.4663 175.1392 -2 R 4.5575 8.5489 120.8917 56.6613 32.4968 174.5319 -1 S 4.4661 7.7779 112.9192 57.6055 66.7633 171.2586 0 Q 3.3689 8.5115 125.4655 57.4783 26.9732 177.5402 7 L 4.0952 7.8149 119.2903 57.5921 41.5995 179.2493 8 L 3.8312 7.7190 119.8987 58.1001 42.1500 178.9313 9 I 3.8460 7.5953 119.3791 64.3201 37.1170 178.4164 10 V 3.7748 7.6768 118.7088 65.8252 31.4279 177.7423 11 L 3.8919 7.9086 120.1443 58.0898 41.8770 178.8088 12 Q 3.9521 8.2238 118.2427 59.0988 28.2672 178.8254 13 E 3.9323 8.2346 119.3014 59.8555 29.3156 179.1919 14 H 4.0858 7.9960 114.8153 58.9358 28.9336 177.6470 15 L 4.1468 8.0881 120.7830 57.5951 41.1932 179.4681 16 R 3.9187 8.2065 119.0440 58.4985 30.1397 176.7274 17 N 4.9832 7.5993 113.0519 52.4388 37.3979 175.8916 18 S 4.1206 7.6972 114.9003 60.0457 63.2735 175.3456 19 G 3.9133 8.2366 108.3549 45.5631 0.0000 172.8845 20 L 4.6135 7.5124 119.4329 53.1468 43.4497 177.3009 21 T 4.3300 8.1421 112.9473 61.1148 71.2533 175.7916 22 Q 4.0429 8.5888 119.9836 59.0083 28.6583 178.7988 23 F 4.1555 8.3224 121.1007 61.5696 39.4307 177.3158 24 K 3.7157 8.1468 117.2917 58.9801 31.7924 179.2449 25 A 3.9249 8.5666 121.4146 55.1711 18.3018 179.5649 26 A 3.9150 8.0493 119.2416 55.1873 18.1743 179.7176 27 E 3.7221 7.5791 116.2974 59.3378 29.5684 179.0590 28 L 4.0484 7.6685 119.1415 58.1519 42.3422 178.6458 29 L 4.2199 7.9637 116.6270 54.7823 41.8604 177.0885 30 G 3.8344 7.9111 106.7710 46.9066 0.0000 173.3360 31 V 4.5097 7.5601 111.5058 58.6306 35.5838 175.9452 32 T 4.3695 8.0081 110.6870 61.2847 71.0331 175.6081 33 Q 4.0243 8.5372 120.9887 58.8631 28.8357 177.3338 34 P 4.2620 0.0000 0.0000 65.3929 31.2697 178.7010 35 R 3.8937 7.7791 117.5647 59.3741 29.8428 178.5188 36 V 3.6183 7.5445 116.7864 66.1008 31.5335 177.4212 37 S 4.3816 8.1691 111.7936 61.7958 62.4642 175.5542 38 D 4.6658 8.2233 121.3714 57.2828 40.5320 178.6978 39 L 4.0147 8.0083 116.5083 56.2188 41.5027 178.2847 *41 R 4.2365 7.9016 115.0086 54.5687 31.7953 175.5110 42 G 3.8529 8.0503 105.7175 46.7499 0.0000 175.5038 43 K 4.4163 8.1670 119.2788 54.8990 30.6392 178.0260 44 I 3.9179 7.7536 122.3881 63.6847 38.9065 177.5388 45 D 4.7579 8.1241 118.9400 55.3805 39.3626 177.4650 46 L 4.0984 7.8709 117.8582 55.0693 41.8794 176.3387 47 F 4.6976 7.8456 118.1991 55.1197 40.8235 176.1125 48 S 4.1033 7.9852 121.1696 57.7764 65.0658 175.2552 49 L 4.0260 8.2597 122.2526 57.8141 41.3492 179.3908 50 E 3.9801 8.1240 119.3171 59.0212 29.4216 178.8522 51 S 4.1630 7.9480 113.7187 61.4456 63.2091 176.0915 52 L 4.1062 7.7188 121.6911 57.6152 41.6955 179.3582 53 I 3.9047 7.9453 119.6541 64.1899 37.0252 177.9224 54 D 4.2208 8.3182 117.2748 56.1065 40.8649 178.2150 *56 I 4.0689 7.6143 121.9885 61.5624 39.2794 178.1071 57 T 4.2327 7.8225 109.6967 64.0479 68.9011 176.8184 58 S 4.1183 8.0895 117.9539 60.9834 62.8551 175.0422 59 I 4.0497 7.7013 110.9071 60.7526 37.7160 176.2277 60 G 3.9070 8.1593 109.4256 45.5909 0.0000 173.7222 61 L 4.4615 7.7146 119.5504 53.3492 43.0177 175.6373 62 K 4.5854 8.3025 119.5186 54.5632 34.2419 175.9804 63 V 4.3477 8.2874 122.6703 60.9365 33.3309 174.4242 64 E 4.7421 8.6621 125.9412 54.5305 32.1859 175.2237 65 I 4.4924 8.1534 122.9270 59.4188 39.5516 174.5462 66 N 4.9508 8.5476 121.4262 51.7060 41.3014 173.3650 67 I 4.4396 8.5028 128.3331 59.9699 39.2254 175.6928 68 K 4.6370 8.6659 128.3158 53.3212 35.1376 173.3912 *69 D 4.6663 8.6508 120.3812 52.6567 40.3984 174.5067 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 -6 I 8.12 4.05 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 1.27 1.21 0.91 0.00 0.00 *-5 H 8.42 4.52 0.00 3.00 2.87 0.00 7.11 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 -4 H 9.28 5.11 0.00 3.09 3.16 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.93 4.93 0.00 3.11 3.18 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.74 4.95 0.00 2.98 3.14 0.00 5.64 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 7.89 4.73 0.00 2.99 2.98 0.00 6.05 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.61 3.76 0.00 3.31 3.35 0.00 5.93 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 -4 K 9.15 4.70 0.00 1.64 1.75 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.35 7.81 -2 R 8.55 4.56 0.00 1.55 1.74 0.00 2.21 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 -1 S 7.78 4.47 0.00 3.59 3.69 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 0 Q 8.51 3.37 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 7.17 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 7 L 7.81 4.10 0.00 1.80 1.67 0.91 0.49 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 8 L 7.72 3.83 0.00 1.68 1.79 0.62 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.60 3.85 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.84 0.90 0.00 0.00 10 V 7.68 3.77 2.05 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 0.98 0.00 0.00 0.95 0.00 0.00 11 L 7.91 3.89 0.00 1.87 1.69 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.22 3.95 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 13 E 8.23 3.93 0.00 2.03 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 2.32 2.48 0.00 14 H 8.00 4.09 0.00 3.19 3.38 0.00 5.85 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.09 4.15 0.00 1.69 1.71 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.21 3.92 0.00 1.95 2.05 0.00 3.21 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 17 N 7.60 4.98 0.00 2.84 2.83 0.00 0.00 7.04 7.52 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 18 S 7.70 4.12 0.00 3.96 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 19 G 8.24 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.51 4.61 0.00 1.67 1.59 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.14 4.33 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 1.26 0.00 0.00 22 Q 8.59 4.04 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 23 F 8.32 4.16 0.00 3.14 3.11 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 0.00 0.00 0.00 0.00 24 K 8.15 3.72 0.00 1.86 1.81 0.00 1.76 0.00 0.00 1.92 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.69 1.69 7.81 25 A 8.57 3.92 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 26 A 8.05 3.92 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 27 E 7.58 3.72 0.00 1.87 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.47 0.00 28 L 7.67 4.05 0.00 1.57 1.87 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.96 4.22 0.00 1.65 1.70 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.91 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.56 4.51 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 0.89 0.00 0.00 0.95 0.00 0.00 32 T 8.01 4.37 4.26 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 1.22 0.00 0.00 33 Q 8.54 4.02 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 34 P 0.00 4.26 0.00 2.16 2.12 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 35 R 7.78 3.89 0.00 1.90 2.16 0.00 2.98 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 36 V 7.54 3.62 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 0.87 0.00 0.00 0.99 0.00 0.00 37 S 8.17 4.38 0.00 3.92 4.10 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 0.00 0.00 0.00 0.00 38 D 8.22 4.67 0.00 3.09 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 39 L 8.01 4.01 0.00 1.71 1.83 0.25 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 *41 R 7.90 4.24 0.00 1.98 2.04 0.00 3.38 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 42 G 8.05 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 43 K 8.17 4.42 0.00 2.12 1.88 0.00 1.92 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.45 7.81 44 I 7.75 3.92 1.91 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 1.53 1.38 0.96 0.00 0.00 45 D 8.12 4.76 0.00 2.89 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 46 L 7.87 4.10 0.00 1.39 1.33 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.85 4.70 0.00 3.11 2.92 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 48 S 7.99 4.10 0.00 3.86 3.93 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 49 L 8.26 4.03 0.00 1.70 1.74 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.12 3.98 0.00 2.03 1.94 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 2.38 2.36 0.00 51 S 7.95 4.16 0.00 4.18 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 52 L 7.72 4.11 0.00 1.81 1.74 0.91 0.67 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 53 I 7.95 3.90 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.95 0.90 0.00 0.00 54 D 8.32 4.22 0.00 2.89 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 *56 I 7.61 4.07 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.20 0.86 0.00 0.00 57 T 7.82 4.23 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 1.23 0.00 0.00 58 S 8.09 4.12 0.00 3.88 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 59 I 7.70 4.05 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.60 0.89 0.00 0.00 60 G 8.16 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.71 4.46 0.00 1.82 1.53 0.65 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.30 4.59 0.00 1.96 1.69 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.34 0.95 7.81 63 V 8.29 4.35 2.06 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 0.82 0.00 0.00 0.91 0.00 0.00 64 E 8.66 4.74 0.00 2.20 1.80 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 2.19 1.85 0.00 65 I 8.15 4.49 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.83 0.90 0.00 0.00 66 N 8.55 4.95 0.00 2.60 2.65 0.00 0.00 6.92 7.94 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 67 I 8.50 4.44 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.75 0.91 0.00 0.00 68 K 8.67 4.64 0.00 1.72 1.52 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 0.95 7.81 *69 D 8.65 4.67 0.00 2.66 2.42 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 * Residues marked with a * may have inaccurate shift predictions.