NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 T 4.4972 8.1749 115.5016 61.9364 68.6545 172.7645 14 L 4.7416 8.6566 127.4174 52.7428 45.8479 174.2052 15 T 5.1283 8.3072 117.6069 61.9425 71.8301 172.9753 16 I 4.5808 8.8211 120.7063 59.0098 40.6645 174.6135 17 R 5.0645 8.5658 123.2375 54.6324 32.1534 175.2597 18 L 4.7674 9.1047 124.0028 53.0505 44.0622 175.3970 19 L 4.7590 8.3793 124.6208 53.7299 44.5466 175.2745 *21 H 4.7548 8.5407 119.8841 55.4728 30.1690 175.0817 22 G 3.6821 9.3037 110.2799 47.5338 0.0000 176.1900 23 K 4.0573 8.0253 121.6106 59.3174 32.0521 178.6191 24 E 3.8392 8.1052 117.9598 59.3016 29.7403 178.8542 25 V 3.8181 7.8026 118.0170 66.0482 31.5324 177.7153 26 G 3.8882 7.9946 104.5234 48.6605 0.0000 175.5998 27 S 4.2739 7.6854 116.9985 60.2304 63.1097 176.2916 28 I 3.8883 7.4421 123.4590 64.1129 37.1110 178.0653 29 I 3.9094 7.6271 120.3694 63.2103 37.4206 177.5492 30 G 4.1505 7.7261 103.4169 44.7176 0.0000 172.1467 31 K 3.9297 8.3735 117.7901 57.6957 31.8061 177.3397 32 K 3.7803 9.1913 122.2475 56.9220 29.4767 176.4854 33 G 3.9444 8.7250 105.8629 46.8631 0.0000 176.4831 34 E 3.9313 7.9678 122.4760 58.8252 29.3347 178.6712 35 S 4.0702 7.9030 112.8408 61.6095 63.4592 176.5797 36 V 3.7385 7.4196 121.9896 63.4877 31.2752 177.8429 37 K 4.1359 7.9811 120.7301 59.1001 31.9685 179.0695 38 K 3.9273 7.7569 116.7186 57.3975 32.1764 178.2912 *40 R 4.2612 7.9179 118.0182 55.9348 32.0270 177.8323 41 E 3.9937 8.2986 115.8925 59.4246 29.5498 178.3179 42 E 4.2360 8.7188 117.5424 58.4619 29.9962 178.1205 43 S 4.2374 8.1834 113.1031 58.6469 63.7440 175.6380 44 G 3.9420 7.9042 106.5598 45.9191 0.0000 173.1918 45 A 4.5553 7.8405 120.7770 50.9602 20.2563 177.9430 46 R 4.2928 8.8355 119.4504 55.7345 31.5728 175.8300 47 I 5.0622 8.3902 124.2459 59.4648 39.9730 174.4090 48 N 5.0487 9.2557 125.3524 51.7359 42.3277 172.7777 49 I 4.8473 8.2675 126.2614 59.0984 39.1444 175.7137 50 S 4.3017 8.6685 122.6262 58.2144 63.6042 174.0951 51 E 3.9614 8.5671 122.8419 55.8744 30.0837 176.8329 52 G 3.9929 7.8032 111.7037 44.1064 0.0000 172.1265 53 N 4.9483 8.0761 116.8030 52.9783 38.4704 174.5406 54 C 4.3741 7.9001 117.6975 57.9928 32.6773 172.2201 55 P 4.3064 0.0000 0.0000 64.5838 31.1879 174.7304 56 E 4.7889 7.4842 115.9550 54.5119 30.2809 175.3750 57 R 4.7782 8.4528 124.9394 54.2648 33.9633 175.0816 58 I 4.6188 8.5940 123.3818 59.8491 39.6857 174.5890 59 I 4.8993 8.6378 127.9224 59.9413 39.6145 174.6196 60 T 4.9245 8.9589 125.0785 62.1609 70.2938 173.7482 61 L 5.2389 8.8904 126.6262 52.9232 44.4554 175.5324 62 A 5.7354 8.9424 124.3560 49.3632 23.1981 175.5804 63 G 4.4846 8.7449 106.6996 42.3946 0.0000 170.9909 64 P 4.6180 0.0000 0.0000 62.2366 33.1547 177.8688 65 T 3.5743 8.2853 117.3925 67.0351 68.4314 176.2854 66 N 4.4631 8.0353 117.8802 55.6274 37.4503 176.9752 67 A 4.1939 7.7963 124.0748 54.4810 18.5188 179.3064 68 I 3.6327 7.6426 118.2511 64.7151 37.1518 178.4689 69 F 4.7431 8.2966 118.8170 60.8473 38.5709 177.9619 70 K 4.0373 8.6421 116.8222 59.5660 31.9984 178.9177 71 A 4.1866 8.3327 120.0331 55.0143 18.5373 179.2220 72 F 4.3531 8.9422 119.3232 61.4584 39.5345 177.0473 73 A 3.7907 8.1647 120.6534 53.7371 19.2165 178.8743 *75 I 3.9963 7.7199 122.4219 62.6208 39.3103 178.2743 76 I 3.4984 7.9455 121.3007 64.3658 36.5309 178.2036 77 D 4.3188 7.9340 118.8708 56.9487 40.7971 178.6022 78 K 4.0624 7.8182 119.7864 59.5095 32.2387 178.8261 79 L 4.0383 7.5387 117.3823 57.3594 41.5161 178.5833 80 E 4.1130 7.5869 118.3196 57.9488 29.6939 175.7653 81 E 4.0955 7.7759 123.5459 56.3939 29.7100 175.8898 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 13 T 8.17 4.50 4.22 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 1.19 0.00 0.00 14 L 8.66 4.74 0.00 1.64 1.43 0.87 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.31 5.13 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 1.21 0.00 0.00 16 I 8.82 4.58 1.84 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 1.21 0.75 0.85 0.00 0.00 17 R 8.57 5.06 0.00 1.70 1.89 0.00 3.18 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 18 L 9.10 4.77 0.00 1.58 1.61 1.09 0.59 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 19 L 8.38 4.76 0.00 1.62 1.53 0.91 1.02 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 *21 H 8.54 4.75 0.00 3.36 3.21 0.00 5.68 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 22 G 9.30 3.68 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 0.00 0.00 0.00 23 K 8.03 4.06 0.00 1.84 1.81 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.52 7.81 24 E 8.11 3.84 0.00 1.99 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 2.35 2.56 0.00 25 V 7.80 3.82 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 1.01 0.00 0.00 0.94 0.00 0.00 26 G 7.99 3.89 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 0.00 0.00 0.00 27 S 7.69 4.27 0.00 3.86 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 28 I 7.44 3.89 2.01 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 0.52 0.91 0.00 0.00 29 I 7.63 3.91 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 1.57 0.77 0.93 0.00 0.00 30 G 7.73 4.15 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 0.00 31 K 8.37 3.93 0.00 1.83 1.82 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.49 7.81 32 K 9.19 3.78 0.00 1.92 1.94 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.42 7.81 33 G 8.72 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 34 E 7.97 3.93 0.00 2.35 1.95 0.00 0.00 0.00 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 2.36 0.00 35 S 7.90 4.07 0.00 4.06 3.97 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 0.00 0.00 0.00 36 V 7.42 3.74 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 0.74 0.00 0.00 0.94 0.00 0.00 37 K 7.98 4.14 0.00 2.00 2.09 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.44 7.81 38 K 7.76 3.93 0.00 2.08 1.89 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 *40 R 7.92 4.26 0.00 2.09 2.01 0.00 3.19 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.95 0.00 41 E 8.30 3.99 0.00 2.15 2.02 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 2.35 2.29 0.00 42 E 8.72 4.24 0.00 2.01 2.02 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 2.34 2.35 0.00 43 S 8.18 4.24 0.00 4.24 4.15 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 44 G 7.90 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 45 A 7.84 4.56 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 46 R 8.84 4.29 0.00 1.88 1.87 0.00 3.06 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 47 I 8.39 5.06 1.88 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 1.26 0.80 0.93 0.00 0.00 48 N 9.26 5.05 0.00 2.71 2.61 0.00 0.00 6.61 8.18 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 49 I 8.27 4.85 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 1.41 0.78 0.92 0.00 0.00 50 S 8.67 4.30 0.00 3.89 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 51 E 8.57 3.96 0.00 1.93 1.90 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 2.29 2.37 0.00 52 G 7.80 3.99 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 0.00 0.00 0.00 53 N 8.08 4.95 0.00 2.66 2.76 0.00 0.00 6.82 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 54 C 7.90 4.37 0.00 3.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.31 0.00 2.23 2.10 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 56 E 7.48 4.79 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 57 R 8.45 4.78 0.00 1.69 1.78 0.00 3.43 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 58 I 8.59 4.62 1.88 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 1.23 0.88 0.92 0.00 0.00 59 I 8.64 4.90 1.90 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 0.65 0.94 0.00 0.00 60 T 8.96 4.92 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 61 L 8.89 5.24 0.00 1.59 1.58 1.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.94 5.74 1.18 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 0.00 0.00 0.00 0.00 0.00 63 G 8.74 4.48 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 0.00 64 P 0.00 4.62 0.00 2.12 1.94 0.00 3.62 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 65 T 8.29 3.57 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 0.72 0.00 0.00 66 N 8.04 4.46 0.00 3.01 3.08 0.00 0.00 6.06 7.18 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 67 A 7.80 4.19 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.64 3.63 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.44 0.89 0.00 0.00 69 F 8.30 4.74 0.00 3.19 3.10 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 70 K 8.64 4.04 0.00 1.75 1.93 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.72 7.81 71 A 8.33 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 72 F 8.94 4.35 0.00 3.14 3.35 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 73 A 8.16 3.79 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.72 4.00 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.16 0.83 0.00 0.00 76 I 7.95 3.50 1.56 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.61 0.77 0.00 0.00 77 D 7.93 4.32 0.00 2.61 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.82 4.06 0.00 1.82 1.75 0.00 1.59 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.57 7.81 79 L 7.54 4.04 0.00 1.63 1.69 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.59 4.11 0.00 1.91 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 2.29 2.28 0.00 81 E 7.78 4.10 0.00 2.21 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.