NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 H 4.6018 8.2876 120.3739 55.8679 30.9890 174.1036 8 H 3.9602 8.4649 121.8185 56.7294 28.3722 175.2057 9 S 4.3001 8.5992 114.6555 60.5811 64.1477 175.8008 10 H 4.5614 7.8926 119.9759 54.3617 26.8704 173.7851 *12 L 4.1952 7.6877 121.1519 53.4280 43.1540 175.4063 13 P 4.7163 0.0000 0.0000 61.8111 32.4975 175.4878 14 P 4.3423 0.0000 0.0000 65.7732 31.3002 178.6302 15 E 4.2293 8.2752 114.0443 58.3690 29.6541 177.2244 16 Q 4.3985 8.2666 117.5978 55.7551 29.3399 175.6945 17 W 4.0939 8.4515 120.1536 56.2801 29.7529 176.4689 18 S 4.8920 8.6194 119.0974 56.5338 66.3753 174.6352 19 H 4.2607 8.6460 116.5008 59.1534 27.9565 177.6667 20 T 3.7818 7.4119 118.0342 66.6864 68.3433 176.5376 21 T 3.5464 7.5263 117.2273 66.4240 68.2809 176.7605 22 V 3.6528 7.9455 120.2559 66.1004 31.5872 178.3398 23 R 3.8804 8.1014 115.8591 59.2684 29.1273 178.5733 24 N 4.3247 8.3419 117.0791 55.9266 38.4619 177.2203 25 A 4.0774 8.1446 122.2476 55.1350 18.5042 179.3464 26 L 4.0890 8.2978 119.1930 58.4932 41.9175 179.4525 27 K 4.0686 7.9959 117.3822 59.3455 32.1162 178.6064 28 D 4.5453 8.0693 118.6950 57.2620 41.1713 178.2457 29 L 4.2250 8.4492 119.8039 57.7996 41.5159 178.9176 30 L 4.3510 8.0230 116.2765 56.0919 41.7332 178.9269 31 K 4.2749 7.9015 118.8846 58.2194 32.0151 177.0672 32 D 4.8639 7.9290 118.7753 53.7409 41.7182 175.8755 *34 N 4.5786 7.9199 116.3458 52.6758 39.7191 174.1089 35 Q 3.9759 8.3877 118.8170 59.0638 28.7092 179.0842 36 S 4.0634 8.0578 113.6655 61.5273 62.5701 176.2540 37 S 4.1196 8.9350 118.2263 61.4665 62.5874 176.4149 38 L 3.8531 8.1707 122.9177 58.1366 41.6133 178.9138 39 A 3.9118 7.8963 119.6411 55.0398 18.3254 179.4691 40 K 4.0204 7.6655 116.3043 59.4565 32.1338 179.1006 41 E 4.1661 7.7643 118.3239 57.5053 29.5831 176.2441 42 C 3.0402 7.0905 112.3711 54.6454 32.0326 172.3342 43 P 4.2938 0.0000 0.0000 63.2443 31.3236 176.3116 44 L 4.2969 6.9651 119.9152 54.0818 42.3854 176.9393 45 S 4.4333 8.2339 116.7657 57.5697 64.3878 174.1915 46 Q 4.0711 8.6853 119.9230 59.4609 28.6529 179.8752 47 S 4.3208 7.4914 109.9194 58.9506 62.0276 175.6872 *49 I 4.0388 7.9131 120.8953 60.9426 38.9914 177.9435 50 S 4.0704 8.1493 114.2389 61.4088 62.0187 176.1273 51 S 4.0792 8.2150 115.8297 61.4563 61.9142 176.1880 52 I 3.6800 7.6091 120.8998 64.3401 36.9678 178.1028 53 V 3.7193 7.7764 118.0253 65.7225 31.4713 177.0210 54 N 4.6615 7.9934 114.0365 53.5416 39.7024 175.9028 55 S 4.2821 7.6847 114.6405 58.4496 62.9492 173.8693 56 T 4.1489 8.2129 114.4338 62.0329 69.1744 173.8188 57 Y 4.8244 7.4951 119.8156 55.7975 40.7257 174.9985 58 Y 4.3070 8.5305 119.1052 57.0914 38.6192 175.4858 59 A 4.2073 8.4580 124.0174 51.1989 19.8689 176.7861 60 N 4.6808 8.4571 121.6488 52.2724 38.8300 174.5293 61 V 4.3784 8.1070 125.4092 59.9855 34.2796 175.9262 62 S 4.3602 8.6145 121.9741 58.0782 64.8859 174.8585 63 A 4.0133 8.6417 124.5736 55.5235 18.0536 179.9068 64 A 3.9638 8.0266 118.6060 55.3573 18.4560 179.6731 65 K 3.9411 8.1380 118.0672 59.6170 32.1751 178.7717 66 C 4.2426 8.4979 117.5027 63.1488 28.0301 176.2354 67 Q 4.1927 8.3693 119.5395 58.8241 28.3078 178.3019 68 E 3.9031 8.4686 120.6060 59.2411 29.6690 178.6801 69 F 4.0915 8.7100 121.1676 61.2761 39.4997 177.2984 70 G 2.0000 7.9677 105.6382 46.9103 0.0000 175.5564 71 R 3.8045 7.9722 121.2577 58.8889 30.1380 178.3679 72 W 4.0011 8.0409 128.0478 60.5780 30.6043 177.2852 73 Y 2.6208 7.8528 119.7358 60.1039 38.1679 177.8481 74 K 3.8312 7.9141 120.5839 59.7193 32.2681 178.2898 75 H 3.9899 7.9211 118.3710 58.9713 29.5291 177.0066 76 F 3.8112 7.7131 121.9002 61.1659 39.1434 177.0355 77 K 3.6826 7.4583 117.0557 58.9790 31.7889 179.0143 78 K 3.4982 7.3991 119.3727 57.6976 32.1305 176.7590 79 T 3.4419 7.3966 119.4634 63.9210 69.0164 171.5233 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 7 H 8.29 4.60 0.00 3.00 2.86 0.00 5.65 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.46 3.96 0.00 3.25 3.30 0.00 5.78 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.60 4.30 0.00 4.03 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 10 H 7.89 4.56 0.00 3.29 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *12 L 7.69 4.20 0.00 1.54 1.66 0.55 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.72 0.00 2.63 2.27 0.00 3.80 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.05 0.00 14 P 0.00 4.34 0.00 2.26 2.34 0.00 3.68 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 15 E 8.28 4.23 0.00 2.14 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 2.35 2.33 0.00 16 Q 8.27 4.40 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 17 W 8.45 4.09 0.00 3.58 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 18 S 8.62 4.89 0.00 3.96 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 19 H 8.65 4.26 0.00 3.50 3.68 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.41 3.78 4.08 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 1.12 0.00 0.00 21 T 7.53 3.55 3.87 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 0.00 0.00 -0.35 0.00 0.00 22 V 7.95 3.65 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 1.10 0.00 0.00 23 R 8.10 3.88 0.00 2.07 2.17 0.00 2.89 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.66 0.00 24 N 8.34 4.32 0.00 2.86 2.87 0.00 0.00 6.78 7.07 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 25 A 8.14 4.08 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 26 L 8.30 4.09 0.00 1.75 1.91 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.00 4.07 0.00 1.82 1.89 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.54 7.81 28 D 8.07 4.55 0.00 2.85 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 29 L 8.45 4.23 0.00 2.13 1.92 1.56 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.02 4.35 0.00 1.68 1.76 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.90 4.27 0.00 1.91 1.92 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.72 7.81 32 D 7.93 4.86 0.00 2.74 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 *34 N 7.92 4.58 0.00 3.03 3.03 0.00 0.00 6.15 7.69 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 35 Q 8.39 3.98 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 36 S 8.06 4.06 0.00 3.88 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 37 S 8.94 4.12 0.00 4.03 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 38 L 8.17 3.85 0.00 1.77 1.80 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.90 3.91 1.32 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 0.00 0.00 0.00 40 K 7.67 4.02 0.00 1.91 1.87 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.71 1.61 7.81 41 E 7.76 4.17 0.00 1.82 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 2.55 2.48 0.00 42 C 7.09 3.04 0.00 1.23 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 43 P 0.00 4.29 0.00 2.19 2.27 0.00 3.19 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.91 0.00 44 L 6.97 4.30 0.00 1.43 1.58 0.69 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.23 4.43 0.00 3.95 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 46 Q 8.69 4.07 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.20 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 47 S 7.49 4.32 0.00 4.01 3.79 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 *49 I 7.91 4.04 1.98 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 1.27 0.62 0.95 0.00 0.00 50 S 8.15 4.07 0.00 3.93 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 51 S 8.21 4.08 0.00 3.97 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 52 I 7.61 3.68 1.96 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.62 0.89 0.00 0.00 53 V 7.78 3.72 2.20 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 0.83 0.00 0.00 0.99 0.00 0.00 54 N 7.99 4.66 0.00 2.86 2.84 0.00 0.00 7.03 7.33 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 55 S 7.68 4.28 0.00 3.86 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 56 T 8.21 4.15 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 1.08 0.00 0.00 57 Y 7.50 4.82 0.00 2.82 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 58 Y 8.53 4.31 0.00 3.07 3.02 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 59 A 8.46 4.21 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 60 N 8.46 4.68 0.00 2.60 2.72 0.00 0.00 6.87 7.84 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 61 V 8.11 4.38 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 0.94 0.00 0.00 0.94 0.00 0.00 62 S 8.61 4.36 0.00 4.11 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 63 A 8.64 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.03 3.96 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 65 K 8.14 3.94 0.00 1.93 1.97 0.00 1.57 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.56 7.81 66 C 8.50 4.24 0.00 3.29 3.32 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 0.00 67 Q 8.37 4.19 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 68 E 8.47 3.90 0.00 2.20 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 0.00 2.32 2.33 0.00 69 F 8.71 4.09 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 70 G 7.97 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 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.97 3.80 0.00 1.97 2.04 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 72 W 8.04 4.00 0.00 3.34 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 73 Y 7.85 2.62 0.00 2.41 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.91 3.83 0.00 2.07 1.78 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.48 1.66 7.81 75 H 7.92 3.99 0.00 3.29 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 7.71 3.81 0.00 1.64 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 0.00 0.00 0.00 77 K 7.46 3.68 0.00 1.58 1.61 0.00 1.57 0.00 0.00 1.33 0.00 0.00 2.70 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.84 1.00 7.81 78 K 7.40 3.50 0.00 1.21 1.67 0.00 1.82 0.00 0.00 1.55 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.10 7.81 79 T 7.40 3.44 4.03 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 0.00 0.00 1.05 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.