NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 A 4.3482 8.2644 123.5811 52.5516 20.3902 178.5282 15 T 3.8255 7.6778 109.8236 64.5419 67.3088 174.8421 16 L 3.6754 7.6354 120.7668 57.6501 42.1108 178.4442 17 Q 4.4221 7.9983 118.9461 59.5448 28.6954 177.9487 18 D 4.5985 7.6354 117.7103 56.2124 41.1898 177.7177 19 S 4.6138 8.1933 114.8081 57.1404 63.2436 173.9686 20 I 4.0016 6.7851 122.8781 63.0689 37.1523 176.5914 21 G 3.9808 9.6574 114.3112 44.9505 0.0000 172.9288 22 K 4.6980 7.9439 118.8801 54.2267 35.8450 175.1439 23 Q 4.6763 8.4679 123.0069 56.2198 30.4458 175.0421 24 V 4.9395 8.9949 119.0055 59.4865 36.1810 174.0071 25 L 5.0332 9.1709 125.7872 53.5795 44.2017 175.3007 26 V 4.7708 9.1743 125.6908 60.9832 34.7893 174.0884 27 K 4.8296 7.8001 126.1405 54.4853 34.9982 175.2167 28 L 5.1823 8.4175 122.8513 52.3289 45.6564 176.1801 29 R 3.8243 8.4419 119.9149 57.4727 30.9223 176.2307 30 D 4.4187 8.9592 117.7775 55.5560 37.8647 174.2240 31 S 3.7395 8.0671 111.3721 59.9968 60.4758 171.5909 32 H 4.7206 7.6668 116.3608 54.7468 30.7317 174.3966 33 E 4.9955 8.5961 121.8553 54.6194 32.7744 174.2263 34 I 5.1995 8.9011 126.8245 59.6975 41.9531 174.5594 35 R 5.4915 7.9927 123.0395 53.5479 34.3381 174.6652 36 G 4.2178 8.0790 107.2556 46.0183 0.0000 171.8976 37 I 4.6953 8.2962 121.9066 60.1592 38.7451 175.4156 38 L 4.3540 8.9453 130.3367 55.3064 42.2434 177.1094 39 R 4.4749 9.0816 126.5423 57.9037 31.7143 176.5458 40 S 4.8121 7.8551 111.1923 57.8444 66.2789 173.3391 41 F 5.7657 8.0909 114.1627 57.1356 40.7823 172.4947 42 D 4.8570 8.4494 118.0255 51.6739 42.1685 175.6749 43 Q 4.2301 8.8723 117.9291 59.0520 28.9645 176.6964 *44 H 4.6102 9.0564 115.8091 53.9183 28.5607 181.4151 45 V 3.3605 7.8337 117.0735 64.5072 30.6707 171.4923 46 N 4.8929 8.1682 115.1118 53.1385 39.6888 173.9115 47 L 5.3021 8.9590 121.2023 52.8789 46.3526 175.1859 48 L 5.0249 8.9690 124.2015 53.4321 44.4054 175.0320 49 L 5.3609 9.0728 126.5570 53.0635 44.9999 175.4938 50 E 4.8959 8.9118 121.1215 54.6290 33.4303 175.3770 51 D 4.5213 8.7425 117.7699 55.3120 38.9423 174.1926 52 A 4.7237 8.4760 119.8676 52.2157 20.1350 177.3678 53 E 5.0865 9.3645 116.6018 55.2584 33.5311 173.9693 54 E 5.0975 9.3848 121.4478 55.1948 32.1972 175.0650 55 I 4.9597 8.5307 124.2910 59.8022 39.2011 175.5660 56 I 4.4680 9.1743 128.6244 60.4526 39.9168 175.4810 57 D 4.5223 9.8019 126.2688 55.4440 38.1814 175.1474 58 G 3.9570 8.4414 105.0030 45.7874 0.0000 173.7113 59 N 4.9319 7.9629 117.4975 51.7550 41.0537 174.2441 60 V 4.8652 8.0727 114.9364 59.9298 34.0837 174.8379 61 Y 4.5629 9.2197 125.5033 56.4376 40.5118 175.9063 62 K 4.4663 8.8199 128.7536 55.4587 31.9007 173.4583 63 R 4.4486 9.6114 123.6920 53.4639 33.1569 176.8146 64 G 4.0250 8.5174 104.1132 44.6450 0.0000 175.6763 65 T 4.7649 8.4084 120.0208 62.9638 69.3408 172.5350 66 M 4.8031 9.2659 125.2798 54.2367 36.1455 173.6240 67 V 4.8723 8.4693 118.7952 59.6060 34.2511 175.1397 68 V 4.4214 8.6038 124.7504 60.9698 34.2770 174.9600 69 R 4.5822 8.6000 127.0018 55.6763 31.0512 177.9754 70 G 4.1238 9.4460 111.8023 48.0338 0.0000 175.4863 71 E 3.9654 8.2697 118.5686 58.7975 29.6078 177.3863 72 N 4.8286 7.8338 114.0720 52.5918 39.3847 174.3132 73 V 3.9196 7.5826 119.8271 62.8628 32.1094 175.4411 74 L 4.4802 8.7169 128.9093 56.7362 41.9654 176.7802 75 F 5.0700 7.2630 111.4730 55.8343 41.5023 172.3120 76 I 5.0811 8.4758 119.4500 59.7018 40.6906 175.0326 77 S 4.5937 9.5469 120.9979 55.7656 65.3577 171.3486 78 P 4.6814 0.0000 0.0000 62.6821 31.9052 176.3630 79 V 3.8154 8.6579 125.4318 61.7674 32.0098 174.1034 80 P 4.0797 0.0000 0.0000 64.5751 31.6801 176.5111 81 G 4.0151 8.8762 111.0276 45.7131 0.0000 172.9185 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 14 A 8.26 4.35 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 15 T 7.68 3.83 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 16 L 7.64 3.68 0.00 0.27 0.13 0.49 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.00 4.42 0.00 2.43 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.93 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 18 D 7.64 4.60 0.00 2.88 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 19 S 8.19 4.61 0.00 3.89 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 20 I 6.79 4.00 1.94 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.87 0.96 0.00 0.00 21 G 9.66 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 0.00 0.00 0.00 22 K 7.94 4.70 0.00 1.88 1.71 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.22 7.81 23 Q 8.47 4.68 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 24 V 8.99 4.94 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 0.79 0.00 0.00 0.94 0.00 0.00 25 L 9.17 5.03 0.00 1.79 1.78 1.01 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 26 V 9.17 4.77 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 0.92 0.00 0.00 0.91 0.00 0.00 27 K 7.80 4.83 0.00 0.79 1.34 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.13 0.79 7.81 28 L 8.42 5.18 0.00 1.55 1.49 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.44 3.82 0.00 1.68 1.89 0.00 3.43 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 30 D 8.96 4.42 0.00 2.93 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 31 S 8.07 3.74 0.00 3.94 3.90 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 32 H 7.67 4.72 0.00 3.03 3.18 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.60 5.00 0.00 1.97 1.75 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 2.27 2.29 0.00 34 I 8.90 5.20 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.73 0.96 0.00 0.00 35 R 7.99 5.49 0.00 1.74 1.78 0.00 3.20 0.00 0.00 3.29 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.41 0.00 36 G 8.08 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 0.00 0.00 0.00 0.00 37 I 8.30 4.70 1.95 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 0.88 0.98 0.00 0.00 38 L 8.95 4.35 0.00 1.79 1.77 1.09 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 39 R 9.08 4.47 0.00 1.82 1.97 0.00 3.43 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 40 S 7.86 4.81 0.00 3.77 3.90 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 41 F 8.09 5.77 0.00 3.13 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 42 D 8.45 4.86 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.87 4.23 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 *44 H 9.06 4.61 0.00 2.80 3.07 0.00 7.30 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.83 3.36 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 0.88 0.00 0.00 0.96 0.00 0.00 46 N 8.17 4.89 0.00 3.00 2.74 0.00 0.00 6.79 6.74 0.00 0.00 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 L 8.96 5.30 0.00 1.56 1.55 0.92 0.53 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 48 L 8.97 5.02 0.00 1.74 1.53 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.07 5.36 0.00 1.59 1.53 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.91 4.90 0.00 1.89 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 2.22 2.26 0.00 51 D 8.74 4.52 0.00 2.79 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 52 A 8.48 4.72 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 53 E 9.36 5.09 0.00 2.11 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 2.39 2.32 0.00 54 E 9.38 5.10 0.00 2.00 1.93 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 2.26 2.29 0.00 55 I 8.53 4.96 1.90 0.00 0.00 nan 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 0.49 0.95 0.00 0.00 56 I 9.17 4.47 2.08 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.05 0.90 0.00 0.00 57 D 9.80 4.52 0.00 2.87 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.44 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 0.00 0.00 0.00 59 N 7.96 4.93 0.00 2.91 2.49 0.00 0.00 6.81 7.06 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 60 V 8.07 4.87 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 0.71 0.00 0.00 0.86 0.00 0.00 61 Y 9.22 4.56 0.00 2.81 2.88 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 62 K 8.82 4.47 0.00 1.54 1.61 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.04 7.81 63 R 9.61 4.45 0.00 1.61 1.97 0.00 3.29 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.71 0.00 64 G 8.52 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 0.00 0.00 0.00 0.00 65 T 8.41 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 66 M 9.27 4.80 0.00 2.01 1.84 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 2.48 2.51 0.00 67 V 8.47 4.87 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 0.74 0.00 0.00 0.93 0.00 0.00 68 V 8.60 4.42 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 1.03 0.00 0.00 0.92 0.00 0.00 69 R 8.60 4.58 0.00 1.90 2.00 0.00 3.17 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 70 G 9.45 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.27 3.97 0.00 1.94 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 0.00 2.32 2.42 0.00 72 N 7.83 4.83 0.00 2.67 2.77 0.00 0.00 6.49 7.55 0.00 0.00 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 V 7.58 3.92 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 0.75 0.00 0.00 0.97 0.00 0.00 74 L 8.72 4.48 0.00 1.49 1.73 0.91 0.66 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 75 F 7.26 5.07 0.00 3.03 3.09 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 76 I 8.48 5.08 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.68 0.91 0.00 0.00 77 S 9.55 4.59 0.00 3.87 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 78 P 0.00 4.68 0.00 1.97 1.97 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 79 V 8.66 3.82 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 0.75 0.00 0.00 0.96 0.00 0.00 80 P 0.00 4.08 0.00 2.08 2.01 0.00 3.70 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 2.03 2.10 0.00 81 G 8.88 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 * Residues marked with a * may have inaccurate shift predictions.