NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.7076 8.4444 117.8451 55.2254 30.9464 172.4724 1 M 4.3325 7.7466 119.0054 52.5070 33.4964 173.9010 2 R 4.0963 9.3411 128.2444 55.9548 31.4481 175.1939 3 I 3.9721 7.7043 126.3907 62.4445 38.0772 177.0963 4 V 3.6325 8.1200 120.7160 66.5369 31.4496 177.7032 5 E 4.0294 7.7609 119.3785 57.5408 30.4713 176.7664 6 E 4.5482 7.7666 119.5350 53.2583 28.6806 175.0828 7 M 4.5659 7.1482 127.6622 56.3550 34.4362 174.5287 8 V 4.1689 7.2891 118.1648 61.9466 32.5997 174.3110 9 G 4.1121 8.7993 118.2793 46.0158 0.0000 174.6833 10 K 4.1287 8.0399 118.7145 56.5984 33.3135 176.6602 11 E 4.8225 8.7993 122.7879 56.0791 31.4657 175.6753 12 V 4.7772 8.7219 122.6741 59.9820 33.8941 174.4791 13 L 5.1937 9.5682 125.2777 52.7630 44.7133 176.9900 14 D 4.7893 8.6734 120.7492 54.6369 40.9516 175.4030 15 S 4.4393 9.8476 110.4704 60.7110 63.0014 175.9316 16 S 4.3579 8.1796 114.9853 60.9909 62.9737 173.6782 17 A 3.7931 7.6104 117.9346 53.4548 16.3495 177.3557 18 K 4.5046 7.5555 119.7055 55.2159 35.0394 176.8710 19 V 4.4314 8.0469 122.0548 61.7157 30.6170 175.7822 20 I 3.8211 8.3303 129.8494 61.9789 37.3511 177.1887 21 G 4.0383 7.0692 106.4222 44.9804 0.0000 170.4660 22 K 4.9445 7.6671 117.9640 54.2800 35.4346 176.5813 23 V 4.0680 8.4428 123.5093 63.1423 31.3826 176.2587 24 K 4.1834 9.2410 131.0257 58.4279 32.9926 175.4540 25 D 4.5388 7.5497 117.4582 53.8654 44.6817 174.2467 26 V 4.8914 8.2755 119.9120 61.2764 34.8131 173.8616 27 E 4.7794 8.8148 126.1150 54.8057 31.9711 175.1428 28 V 4.7260 8.1067 121.5280 61.2264 35.3102 175.2358 29 D 4.5898 9.3875 127.3013 52.6840 39.7074 176.9971 30 I 3.7459 8.1839 126.7741 63.3005 37.3824 177.2331 31 E 4.2746 7.8495 119.4869 58.6040 29.9725 177.7490 32 S 4.1560 8.4625 112.3540 59.0068 63.8159 173.7081 33 Q 3.4348 8.0614 119.0677 57.2437 26.0910 173.0272 34 A 4.7336 7.2414 118.0304 50.0294 23.4974 176.6752 35 I 3.6577 8.0244 121.5593 60.9304 37.5044 175.2899 36 E 4.2135 9.6364 130.6110 57.8676 29.5981 179.0930 37 S 5.3592 7.7206 112.7849 57.7535 67.8793 172.0560 38 L 5.0036 8.8960 119.0030 53.1792 44.5738 176.2959 39 V 4.6192 9.1693 123.3682 61.3612 33.5558 174.3740 40 L 5.0029 9.2214 129.3260 52.7135 43.1868 177.0075 41 G 4.0368 8.8705 116.4574 47.8128 0.0000 173.4857 42 K 4.2109 9.2669 125.7822 56.7074 31.2701 177.0302 43 G 3.7207 9.3066 119.9273 47.7360 0.0000 175.7480 *53 K 4.3463 8.0933 120.5908 54.3707 33.8148 182.3515 54 G 4.0136 7.7840 106.6053 45.1248 0.0000 172.3905 55 E 5.0130 8.2968 118.1241 54.8271 33.8937 174.9384 56 T 4.6087 8.7666 119.0210 61.8997 71.9163 173.4479 57 I 4.7503 8.3453 126.3926 59.5087 38.7464 174.9316 58 V 3.8676 8.3453 127.9247 61.1776 32.5943 172.9674 59 P 4.4995 0.0000 0.0000 63.1114 31.7067 176.7980 60 Y 3.9410 8.8696 127.1488 59.6249 38.7681 177.5418 61 E 3.9284 7.7853 119.4123 60.3406 29.8432 177.7315 62 M 3.8100 8.5420 117.6293 59.3707 32.2186 177.9451 63 V 3.2365 6.4826 119.5623 61.9408 29.8987 175.3077 64 K 4.2178 9.1221 128.6186 58.3536 32.9701 177.3651 65 K 4.4566 7.2721 115.2374 55.5589 35.8079 174.4365 66 I 4.9006 8.2360 120.9470 59.7913 40.4121 174.5214 67 G 3.9330 9.1452 120.0643 44.4119 0.0000 173.4792 68 D 4.4530 8.8925 121.3002 56.4635 41.2707 175.5627 69 K 4.7602 7.8190 117.6962 54.9027 37.3223 174.9553 70 I 4.9120 8.7194 121.8295 59.8371 39.5178 175.1149 71 L 4.8021 8.4312 127.0775 52.3489 44.0695 175.4946 72 L 4.9083 8.0859 121.1029 54.0807 43.7629 180.3679 73 K 3.9585 9.0376 125.6092 58.4288 33.0902 176.2766 74 G 4.0248 8.1500 106.3652 45.5693 0.0000 172.9503 75 P 4.5821 0.0000 0.0000 63.4101 30.9807 176.1565 76 E 4.2319 7.9999 123.8883 56.7477 29.7023 175.6151 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 0 H 8.44 4.71 0.00 3.17 3.40 0.00 5.63 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 7.75 4.33 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 2 R 9.34 4.10 0.00 1.89 1.78 0.00 3.40 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 3 I 7.70 3.97 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.64 0.91 0.00 0.00 4 V 8.12 3.63 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 0.96 0.00 0.00 0.93 0.00 0.00 5 E 7.76 4.03 0.00 1.97 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 2.30 0.00 6 E 7.77 4.55 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 7 M 7.15 4.57 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 8 V 7.29 4.17 2.28 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 0.90 0.00 0.00 0.95 0.00 0.00 9 G 8.80 4.11 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 0.00 0.00 0.00 10 K 8.04 4.13 0.00 1.74 1.75 0.00 1.68 0.00 0.00 1.96 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.49 7.81 11 E 8.80 4.82 0.00 1.92 1.85 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 2.39 2.30 0.00 12 V 8.72 4.78 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.94 0.00 0.00 13 L 9.57 5.19 0.00 1.58 1.61 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.67 4.79 0.00 2.79 2.82 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 0.00 0.00 0.00 15 S 9.85 4.44 0.00 3.92 3.84 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 0.00 0.00 0.00 16 S 8.18 4.36 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 17 A 7.61 3.79 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.56 4.50 0.00 1.96 1.69 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.30 7.81 19 V 8.05 4.43 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 0.80 0.00 0.00 0.93 0.00 0.00 20 I 8.33 3.82 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 1.22 0.78 0.91 0.00 0.00 21 G 7.07 4.04 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 0.00 0.00 0.00 22 K 7.67 4.94 0.00 1.71 1.85 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.40 7.81 23 V 8.44 4.07 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 0.98 0.00 0.00 1.00 0.00 0.00 24 K 9.24 4.18 0.00 1.76 1.97 0.00 1.89 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.38 7.81 25 D 7.55 4.54 0.00 2.74 2.45 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 26 V 8.28 4.89 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 0.90 0.00 0.00 0.98 0.00 0.00 27 E 8.81 4.78 0.00 1.99 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 2.24 0.00 28 V 8.11 4.73 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 0.74 0.00 0.00 0.87 0.00 0.00 29 D 9.39 4.59 0.00 2.91 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 3.75 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 1.40 0.63 0.90 0.00 0.00 31 E 7.85 4.27 0.00 2.10 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 2.26 2.28 0.00 32 S 8.46 4.16 0.00 3.98 3.98 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 33 Q 8.06 3.43 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 34 A 7.24 4.73 1.15 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 0.00 0.00 35 I 8.02 3.66 0.84 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.28 0.62 0.00 0.00 36 E 9.64 4.21 0.00 1.90 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 2.38 2.40 0.00 37 S 7.72 5.36 0.00 3.98 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 38 L 8.90 5.00 0.00 1.63 1.64 0.93 1.50 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 39 V 9.17 4.62 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 0.81 0.00 0.00 0.95 0.00 0.00 40 L 9.22 5.00 0.00 1.60 1.56 0.92 0.93 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 41 G 8.87 4.04 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 0.00 0.00 0.00 42 K 9.27 4.21 0.00 1.74 1.52 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.41 7.81 43 G 9.31 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *53 K 8.09 4.35 0.00 1.81 1.78 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 54 G 7.78 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.30 5.01 0.00 1.80 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 2.21 2.33 0.00 56 T 8.77 4.61 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 57 I 8.35 4.75 1.88 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 1.24 0.61 0.93 0.00 0.00 58 V 8.35 3.87 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 1.00 0.00 0.00 0.93 0.00 0.00 59 P 0.00 4.50 0.00 2.12 2.05 0.00 3.68 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 60 Y 8.87 3.94 0.00 3.13 3.25 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 61 E 7.79 3.93 0.00 2.02 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 2.37 2.48 0.00 62 M 8.54 3.81 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 63 V 6.48 3.24 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 0.54 0.00 0.00 0.49 0.00 0.00 64 K 9.12 4.22 0.00 1.84 1.81 0.00 1.90 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.42 7.81 65 K 7.27 4.46 0.00 1.75 1.62 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.42 7.81 66 I 8.24 4.90 1.89 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 1.35 0.92 0.93 0.00 0.00 67 G 9.15 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 0.00 0.00 0.00 68 D 8.89 4.45 0.00 2.66 2.75 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 69 K 7.82 4.76 0.00 1.58 1.64 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.54 7.81 70 I 8.72 4.91 1.93 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 1.22 1.07 0.89 0.00 0.00 71 L 8.43 4.80 0.00 1.60 1.54 0.91 0.14 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 72 L 8.09 4.91 0.00 1.39 0.54 0.88 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 73 K 9.04 3.96 0.00 1.83 1.84 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.47 7.81 74 G 8.15 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 75 P 0.00 4.58 0.00 2.18 2.15 0.00 3.74 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 1.98 1.94 0.00 76 E 8.00 4.23 0.00 2.06 2.07 0.00 0.00 0.00 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 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.