NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0830 8.0544 120.3191 61.6167 32.5798 174.3671 4 S 4.6746 8.4091 118.4451 55.5031 65.0634 172.2863 5 L 4.1959 8.4343 123.9068 57.1640 42.5890 178.0621 6 S 4.5194 8.0864 111.1323 59.1738 64.3755 173.6245 7 Y 4.6636 7.7645 121.3200 55.8321 39.7156 174.4882 8 R 4.4061 7.2000 121.1769 54.2125 32.7017 175.4186 9 C 4.3258 8.1860 116.2685 56.2985 40.7788 172.7464 10 P 4.0097 0.0000 0.0000 64.7598 31.2226 177.2638 11 C 4.6841 7.8003 115.5851 55.0475 41.1507 173.8251 12 R 3.9347 8.4279 125.1212 58.9735 30.0323 176.1230 13 F 4.4360 6.7890 109.3109 56.3747 40.0329 172.4144 14 F 5.4177 8.5739 118.4685 56.1826 41.1750 175.0709 15 E 4.7056 9.2315 124.5746 55.6020 30.3442 177.0446 16 S 4.7040 8.6594 115.0412 58.1245 64.5686 173.8355 17 H 5.0286 8.0949 118.1766 55.7876 28.9122 174.4487 18 V 4.3706 7.8389 117.9196 60.9944 33.8429 174.1982 19 A 4.4253 8.3715 131.8227 50.9927 20.7389 178.3015 20 R 2.0000 7.3436 119.8515 58.6954 29.1966 178.6738 21 A 3.9060 7.5502 119.5645 54.4221 18.5492 177.6816 22 N 4.7183 7.9159 111.9715 53.1777 39.0055 174.9656 23 V 4.8946 7.3271 113.9958 60.1731 35.2177 175.5808 24 K 4.3764 9.1834 125.8105 56.7776 34.0597 177.6894 *25 H 5.0903 7.6512 115.5136 52.6487 27.4734 174.8037 26 L 4.2814 7.9047 120.8157 55.1853 42.5876 177.8112 27 K 4.6524 9.5735 124.8899 54.5731 36.1574 175.1043 28 I 4.6266 8.3522 127.0749 60.2647 37.9748 175.0632 29 L 4.2285 9.0661 131.0757 54.4495 43.2368 175.7787 30 N 5.3766 8.3951 123.7718 52.1930 38.4046 173.1805 31 T 4.5681 7.8053 112.3753 58.8419 71.3449 173.5460 32 P 4.3171 0.0000 0.0000 64.5213 31.7077 176.2575 33 N 4.3738 9.0261 117.4026 53.9252 36.2058 174.5355 34 C 5.0627 7.7747 114.4381 54.4793 43.1579 173.9878 35 A 4.2736 8.4255 125.5623 51.9276 18.6626 177.5151 36 L 4.4051 8.3888 120.8871 55.6242 42.5514 176.8554 37 Q 4.6299 8.8296 120.2605 54.3339 33.6082 173.8971 38 I 4.8046 8.1439 122.9875 60.0007 39.3422 174.8850 39 V 5.3695 8.9252 125.1890 60.5174 35.4304 173.7374 40 A 5.0638 8.3007 125.1778 50.9803 22.9859 174.6927 41 R 4.7674 8.3847 119.7816 54.8040 32.1254 175.4720 42 L 4.5020 8.8602 127.4723 54.6365 42.0928 178.0328 43 K 3.9828 9.0841 125.0276 59.5290 32.0126 178.2127 44 N 4.5818 8.2641 115.5485 54.5516 38.0527 175.6038 45 N 4.8095 7.7976 112.0586 52.2868 39.9854 174.6835 46 N 4.3424 8.6305 115.2085 54.1032 37.0262 174.0332 47 R 4.0820 7.3586 118.5314 56.3173 31.2555 175.4688 48 Q 4.6738 8.6194 127.5916 56.0981 30.0798 175.2749 49 V 4.5526 8.8362 119.0222 59.7146 36.1610 173.8527 50 C 5.1051 8.6297 121.1287 56.2506 41.8526 172.3981 51 I 4.8829 8.3145 125.1408 58.9846 39.0126 175.0828 52 D 3.5296 8.5551 127.0150 53.9631 41.3560 175.6501 53 P 4.0135 0.0000 0.0000 64.6320 31.5613 177.2151 54 K 4.4591 7.7563 115.4045 56.2622 33.0338 177.6127 55 L 4.0718 7.4195 124.5285 55.0186 42.8024 178.2486 56 K 3.9188 8.7329 129.0564 59.8900 31.7271 176.6901 57 W 4.5451 8.1119 117.5515 59.1300 28.1196 178.5161 58 I 3.0132 6.4016 120.2554 64.0794 36.2586 178.1326 59 Q 3.9950 8.0077 121.2342 59.7331 28.5654 179.5006 60 E 4.0534 8.3930 119.2276 60.9894 29.5778 180.4390 61 Y 4.2444 8.1727 119.2593 60.7897 38.9140 177.3752 62 L 4.0689 8.4762 120.7045 58.0937 41.5896 179.5656 63 E 4.0371 7.9468 115.7284 58.9606 29.5738 179.2155 64 K 3.9986 7.3722 118.1258 59.3784 32.3481 178.7449 65 A 4.2742 7.6995 119.5429 53.3692 19.3691 177.5672 66 L 3.9428 7.9794 122.1731 55.5904 40.3557 177.1700 *67 N 4.5356 8.3130 120.4235 52.0603 38.2397 173.3801 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 3 V 8.05 4.08 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 0.89 0.00 0.00 0.94 0.00 0.00 4 S 8.41 4.67 0.00 4.00 4.10 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 5 L 8.43 4.20 0.00 1.68 1.73 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.09 4.52 0.00 4.01 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 7 Y 7.76 4.66 0.00 2.93 2.90 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 8 R 7.20 4.41 0.00 1.74 1.69 0.00 3.02 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.49 0.00 9 C 8.19 4.33 0.00 2.89 2.99 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 10 P 0.00 4.01 0.00 2.01 2.08 0.00 3.61 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 11 C 7.80 4.68 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.43 3.93 0.00 1.66 2.18 0.00 3.36 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 13 F 6.79 4.44 0.00 2.98 2.90 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 14 F 8.57 5.42 0.00 3.12 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 E 9.23 4.71 0.00 2.04 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 2.34 2.42 0.00 16 S 8.66 4.70 0.00 3.89 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 0.00 17 H 8.09 5.03 0.00 3.21 3.34 0.00 5.66 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.84 4.37 2.27 0.00 0.00 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 1.02 0.00 0.00 19 A 8.37 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.34 2.00 0.00 1.75 1.98 0.00 3.26 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 1.65 1.23 0.00 21 A 7.55 3.91 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 22 N 7.92 4.72 0.00 2.82 2.79 0.00 0.00 6.60 7.21 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 23 V 7.33 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 0.69 0.00 0.00 0.90 0.00 0.00 24 K 9.18 4.38 0.00 1.72 1.67 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.28 1.21 7.81 *25 H 7.65 5.09 0.00 2.64 2.85 0.00 7.18 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 26 L 7.90 4.28 0.00 1.46 1.61 0.32 0.89 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 27 K 9.57 4.65 0.00 1.75 1.59 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.40 7.81 28 I 8.35 4.63 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 1.22 0.69 0.91 0.00 0.00 29 L 9.07 4.23 0.00 1.72 1.54 0.93 0.34 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 30 N 8.40 5.38 0.00 2.70 2.66 0.00 0.00 7.07 7.70 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 31 T 7.81 4.57 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 32 P 0.00 4.32 0.00 1.93 1.99 0.00 3.92 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.10 0.00 33 N 9.03 4.37 0.00 3.04 3.03 0.00 0.00 6.81 7.66 0.00 0.00 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 C 7.77 5.06 0.00 3.10 2.98 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 35 A 8.43 4.27 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 36 L 8.39 4.41 0.00 1.55 1.63 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.83 4.63 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 38 I 8.14 4.80 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.84 0.79 0.00 0.00 39 V 8.93 5.37 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 1.10 0.00 0.00 0.92 0.00 0.00 40 A 8.30 5.06 1.23 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 0.00 0.00 0.00 41 R 8.38 4.77 0.00 1.90 1.80 0.00 3.18 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 42 L 8.86 4.50 0.00 1.88 1.58 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 43 K 9.08 3.98 0.00 1.94 1.86 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.28 7.81 44 N 8.26 4.58 0.00 2.80 2.93 0.00 0.00 5.79 8.04 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 45 N 7.80 4.81 0.00 2.91 3.01 0.00 0.00 6.29 6.96 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 46 N 8.63 4.34 0.00 2.87 2.95 0.00 0.00 6.87 8.50 0.00 0.00 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 R 7.36 4.08 0.00 2.19 1.80 0.00 3.09 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 48 Q 8.62 4.67 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.50 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 49 V 8.84 4.55 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 0.84 0.00 0.00 1.01 0.00 0.00 50 C 8.63 5.11 0.00 3.06 3.17 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 0.00 0.00 0.00 0.00 51 I 8.31 4.88 1.70 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.56 0.76 0.00 0.00 52 D 8.56 3.53 0.00 2.87 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.01 0.00 1.90 1.88 0.00 3.25 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 54 K 7.76 4.46 0.00 1.81 1.86 0.00 1.49 0.00 0.00 1.56 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.74 7.81 55 L 7.42 4.07 0.00 1.11 1.16 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.73 3.92 0.00 1.76 1.83 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.08 7.81 57 W 8.11 4.55 0.00 3.58 3.38 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 58 I 6.40 3.01 1.41 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.15 0.62 0.00 0.00 59 Q 8.01 4.00 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 60 E 8.39 4.05 0.00 1.98 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 2.24 2.19 0.00 61 Y 8.17 4.24 0.00 3.50 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 62 L 8.48 4.07 0.00 1.89 1.73 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.95 4.04 0.00 2.13 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 2.49 2.34 0.00 64 K 7.37 4.00 0.00 1.81 1.76 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.43 1.62 7.81 65 A 7.70 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.98 3.94 0.00 1.79 1.60 0.92 0.86 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 *67 N 8.31 4.54 0.00 2.52 2.60 0.00 0.00 6.79 7.56 0.00 0.00 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.