NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5465 8.1200 121.8605 55.4726 34.1630 174.3103 3 V 4.4897 7.4716 118.5629 59.0591 34.0593 173.4010 4 R 4.5029 8.6468 124.3932 55.5946 33.1750 174.2777 5 A 4.3910 8.4199 118.8083 52.7552 19.6808 177.3855 6 S 4.4444 7.5673 109.8759 56.0096 62.2292 171.3628 7 V 3.7982 7.9322 122.8142 61.7460 31.3565 175.1275 8 K 4.7143 8.2028 125.4463 54.2205 35.8227 175.7723 9 R 4.2620 8.3129 118.8763 56.1272 30.6642 176.2919 10 I 4.0892 8.1684 123.3305 62.3346 38.6023 175.1924 11 C 4.8699 7.3933 114.1638 55.9796 31.7768 174.4214 12 D 4.3787 8.8943 123.3567 56.6844 38.8708 178.3842 13 K 3.9917 8.1332 116.9595 57.7822 32.1730 175.7859 14 C 5.3910 8.3865 117.9349 56.6213 30.8147 174.5768 *15 K 4.1675 8.6550 127.5060 54.6232 32.8459 173.3537 16 V 4.2498 7.9198 124.9919 61.2102 29.2139 174.3866 17 I 4.0234 7.4806 125.7752 60.8229 40.4398 174.9217 18 R 4.9107 8.2937 124.5425 55.1268 31.4477 173.5589 19 R 4.2725 8.0006 122.7870 55.2739 31.9677 175.7208 20 H 3.9163 9.0733 119.5403 56.6999 25.3037 176.5771 21 G 3.8905 8.1687 111.8646 46.5292 0.0000 174.2733 22 R 4.2743 8.6910 119.1510 55.6797 30.9198 175.1973 23 V 4.4641 8.3160 120.7735 61.9019 33.3301 174.4109 24 Y 4.8381 8.4869 124.8240 56.1598 41.7647 175.2136 25 V 4.5074 8.7371 119.1094 61.8086 34.6092 174.2117 26 I 4.6763 8.7218 129.4922 60.8216 39.3222 174.5891 27 C 4.3713 8.0853 123.7385 60.0537 34.2737 172.4756 28 E 3.8512 9.1586 122.5798 57.6063 28.7818 176.6455 29 N 4.2816 8.6521 129.5711 52.6927 37.5033 174.1794 30 P 4.3920 0.0000 0.0000 65.9539 31.2286 178.4895 31 K 3.9863 8.1037 116.8514 58.8827 32.1014 176.9048 32 H 4.6578 8.3590 115.1048 56.5647 29.3130 175.6036 33 K 4.1200 8.3438 121.1763 57.5981 32.8867 175.7251 34 Q 5.2971 8.9441 124.1709 53.9077 33.9648 173.3735 35 R 4.6609 8.1022 119.2105 55.0696 34.2007 172.8953 36 Q 5.1808 8.4454 120.9927 52.6064 32.0575 175.4346 37 G 3.4146 8.8445 112.8663 45.3393 0.0000 172.8412 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 2 K 8.12 4.55 0.00 1.81 1.78 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.22 7.81 3 V 7.47 4.49 2.04 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 0.84 0.00 0.00 0.86 0.00 0.00 4 R 8.65 4.50 0.00 1.90 1.97 0.00 2.84 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 5 A 8.42 4.39 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.57 4.44 0.00 3.78 3.74 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 0.00 0.00 0.00 0.00 7 V 7.93 3.80 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 0.85 0.00 0.00 0.92 0.00 0.00 8 K 8.20 4.71 0.00 1.71 1.66 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.40 7.81 9 R 8.31 4.26 0.00 1.79 1.85 0.00 3.19 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 10 I 8.17 4.09 1.48 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 1.38 0.52 0.58 0.00 0.00 11 C 7.39 4.87 0.00 3.13 3.21 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 0.00 0.00 0.00 0.00 12 D 8.89 4.38 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 13 K 8.13 3.99 0.00 1.79 1.93 0.00 1.67 0.00 0.00 2.02 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.45 7.81 14 C 8.39 5.39 0.00 3.14 2.97 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 *15 K 8.66 4.17 0.00 1.47 1.72 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.71 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.00 7.81 16 V 7.92 4.25 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 0.93 0.00 0.00 0.94 0.00 0.00 17 I 7.48 4.02 1.88 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 1.42 0.89 0.00 0.00 18 R 8.29 4.91 0.00 1.82 1.78 0.00 3.24 0.00 0.00 3.28 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.81 0.00 19 R 8.00 4.27 0.00 1.48 1.60 0.00 2.63 0.00 0.00 2.91 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.95 0.00 20 H 9.07 3.92 0.00 3.39 3.41 0.00 5.72 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 21 G 8.17 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 22 R 8.69 4.27 0.00 2.27 2.12 0.00 3.30 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 23 V 8.32 4.46 2.12 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 1.08 0.00 0.00 0.97 0.00 0.00 24 Y 8.49 4.84 0.00 2.74 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 25 V 8.74 4.51 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 1.00 0.00 0.00 0.95 0.00 0.00 26 I 8.72 4.68 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.35 0.93 0.00 0.00 27 C 8.09 4.37 0.00 2.99 2.83 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 28 E 9.16 3.85 0.00 1.98 1.76 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 2.31 2.30 0.00 29 N 8.65 4.28 0.00 2.87 2.97 0.00 0.00 5.65 7.76 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 30 P 0.00 4.39 0.00 2.24 2.41 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 31 K 8.10 3.99 0.00 1.88 1.97 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.49 7.81 32 H 8.36 4.66 0.00 3.19 3.33 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.34 4.12 0.00 1.85 1.83 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.51 7.81 34 Q 8.94 5.30 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.38 0.00 0.00 0.00 0.00 0.00 2.35 2.17 0.00 35 R 8.10 4.66 0.00 1.32 1.40 0.00 2.77 0.00 0.00 2.91 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 36 Q 8.45 5.18 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 37 G 8.84 3.41 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 0.00 * Residues marked with a * may have inaccurate shift predictions.