NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.4698 8.0427 122.7505 55.2319 43.9449 174.8156 2 T 4.8617 8.9192 120.6521 60.0970 69.9807 170.8506 3 C 5.3034 8.9793 124.9079 54.6287 45.0571 173.1930 4 V 4.1101 8.1772 121.0488 62.9261 32.2284 175.1083 5 K 4.6861 8.6518 128.2591 54.5481 35.3142 174.9782 6 S 5.1052 8.5170 120.5541 57.8767 66.3353 173.7160 7 N 4.4570 8.5625 120.0259 52.9718 40.1709 175.0998 8 S 4.0481 8.9916 111.4675 60.6476 63.4413 174.6386 9 I 4.1422 7.4548 112.8050 60.1190 39.1680 175.4605 10 W 5.0032 8.4089 122.1581 54.1989 30.8854 175.2670 11 F 4.6319 9.7042 118.7780 56.1862 37.8073 173.1610 12 P 4.2972 0.0000 0.0000 64.2346 31.7310 175.6216 13 T 4.3013 8.1336 117.3296 61.3128 70.7457 171.7307 14 S 5.0158 8.2448 114.2177 56.5365 66.1310 172.9783 15 E 4.4202 8.7983 122.6358 54.2011 32.5708 174.1127 16 D 4.7066 8.5861 126.8462 53.8460 41.7192 176.5204 17 C 4.5166 9.1064 124.7390 56.1822 42.3214 172.4387 18 P 4.4550 0.0000 0.0000 62.1372 31.6819 175.7770 19 D 4.5470 8.4609 121.1417 55.2198 39.4615 177.1489 20 G 3.8430 8.9774 110.2135 45.3654 0.0000 173.2076 21 Q 4.3996 7.8215 118.6903 54.9788 28.2551 174.6880 22 N 5.0248 8.6296 119.9950 52.5749 39.5546 174.5339 23 L 5.0961 7.8954 117.8627 53.2020 45.8096 174.7525 24 C 5.3872 9.3772 120.2650 55.3100 36.7362 172.8920 25 F 5.6417 8.8632 118.2071 54.9547 41.1540 174.1062 26 K 4.7703 9.0912 119.4267 54.6799 35.4349 175.2766 27 R 5.1946 8.5592 123.6079 54.5753 34.1178 173.5457 28 W 5.6352 9.7802 125.3160 55.1052 32.8806 174.2039 29 Q 5.2550 9.3969 123.4595 54.1066 31.3794 174.3284 30 Y 4.4957 9.0436 126.1309 58.0410 39.0204 174.6884 31 I 4.2395 8.1562 127.1083 62.5442 39.0002 175.5926 32 S 4.2691 6.6262 111.7425 56.3415 65.3636 173.1314 33 P 4.4194 0.0000 0.0000 65.2921 30.9677 177.7751 34 R 4.6739 7.8293 114.0673 55.6312 30.9664 174.6795 35 M 4.8592 8.0673 117.9614 54.1611 35.7797 173.4317 36 Y 5.3612 7.7639 121.7663 55.9152 41.9512 173.4739 37 D 4.9737 9.3438 120.5941 52.9685 42.8431 175.2500 38 F 5.5779 9.1320 126.5826 56.8825 40.9711 174.7346 39 T 4.6675 8.7076 115.6797 59.9943 72.6787 172.9594 40 R 4.0853 8.3855 120.7428 54.4332 34.8124 175.6420 41 G 3.8124 5.8939 107.3709 46.3413 0.0000 171.4611 42 C 5.2544 8.7202 117.0300 55.6714 38.2297 172.7396 43 A 4.7625 8.8042 123.7663 51.1124 22.0840 177.4525 44 A 4.1895 8.5776 122.9992 54.4184 19.2343 178.2720 45 T 4.5990 7.4513 102.6969 60.2094 71.7737 173.7437 46 C 4.7137 8.4751 122.7711 54.1653 44.3870 171.9908 47 P 4.6015 0.0000 0.0000 61.5597 31.7622 176.6143 48 K 4.1200 8.2938 119.3119 56.5390 33.2185 176.9227 49 A 4.5289 8.3922 124.5329 52.5374 20.3966 175.9124 50 E 4.6286 8.4834 120.5948 56.6714 29.7166 178.6549 *52 R 4.3144 8.7296 129.5981 56.7353 32.5164 173.0696 53 D 5.3495 8.2352 119.3578 52.6447 42.5211 172.2355 54 V 4.5798 9.2081 123.3366 61.2152 33.3838 174.1119 55 I 5.5142 8.4544 127.1278 59.5028 41.2634 173.5313 56 N 5.3465 9.4651 124.6274 51.6705 41.0202 172.4352 57 C 5.7581 8.7200 116.1381 56.0444 41.1365 171.8632 58 C 4.8830 9.2522 114.4078 54.3764 45.1340 174.3991 59 G 4.1905 8.6471 106.9881 45.3270 0.0000 172.8709 60 T 4.6113 7.4775 109.3493 58.9127 71.2534 173.3753 61 D 4.7345 8.5430 122.7019 55.9532 40.8869 176.5990 62 K 3.8103 9.3216 124.2104 57.4007 30.3540 174.2719 63 C 4.2623 8.0081 112.2880 56.8861 42.0203 173.4599 64 N 4.8552 7.2432 117.6412 52.4073 37.3918 174.9170 65 K 4.0606 8.1118 125.4529 57.6841 32.2202 176.2157 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 1 L 8.04 4.47 0.00 1.77 1.58 1.03 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 2 T 8.92 4.86 4.17 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 1.16 0.00 0.00 3 C 8.98 5.30 0.00 2.70 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.18 4.11 1.91 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 0.57 0.00 0.00 0.84 0.00 0.00 5 K 8.65 4.69 0.00 1.55 1.20 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.79 1.17 7.81 6 S 8.52 5.11 0.00 3.83 3.75 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 0.00 0.00 0.00 7 N 8.56 4.46 0.00 2.90 2.94 0.00 0.00 6.46 7.77 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 8 S 8.99 4.05 0.00 4.00 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 9 I 7.45 4.14 1.55 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.84 0.00 0.00 10 W 8.41 5.00 0.00 3.50 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 11 F 9.70 4.63 0.00 3.23 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 12 P 0.00 4.30 0.00 1.92 2.00 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 13 T 8.13 4.30 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 14 S 8.24 5.02 0.00 3.71 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 4.42 0.00 1.69 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 16 D 8.59 4.71 0.00 2.67 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.11 4.52 0.00 2.87 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 18 P 0.00 4.45 0.00 2.17 1.97 0.00 3.77 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 19 D 8.46 4.55 0.00 2.78 2.68 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 20 G 8.98 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 0.00 0.00 0.00 21 Q 7.82 4.40 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.26 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 22 N 8.63 5.02 0.00 2.68 2.78 0.00 0.00 6.94 7.85 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 23 L 7.90 5.10 0.00 1.80 1.56 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 24 C 9.38 5.39 0.00 2.78 3.04 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 25 F 8.86 5.64 0.00 3.05 3.08 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 0.00 26 K 9.09 4.77 0.00 1.73 1.27 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.35 1.30 7.81 27 R 8.56 5.19 0.00 1.96 1.83 0.00 2.84 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 28 W 9.78 5.64 0.00 3.31 2.89 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 29 Q 9.40 5.25 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 30 Y 9.04 4.50 0.00 3.03 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 31 I 8.16 4.24 1.81 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 1.37 0.79 0.86 0.00 0.00 32 S 6.63 4.27 0.00 3.88 3.83 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 33 P 0.00 4.42 0.00 2.10 2.27 0.00 3.62 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.29 0.00 34 R 7.83 4.67 0.00 1.74 1.88 0.00 3.16 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 35 M 8.07 4.86 0.00 1.91 1.73 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 36 Y 7.76 5.36 0.00 3.26 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 37 D 9.34 4.97 0.00 2.76 2.74 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 38 F 9.13 5.58 0.00 3.25 3.15 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 39 T 8.71 4.67 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 40 R 8.39 4.09 0.00 1.22 1.61 0.00 3.06 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.59 0.00 41 G 5.89 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 0.00 0.00 0.00 42 C 8.72 5.25 0.00 3.06 3.08 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 0.00 43 A 8.80 4.76 1.25 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 0.00 0.00 0.00 44 A 8.58 4.19 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 45 T 7.45 4.60 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 46 C 8.48 4.71 0.00 2.94 3.04 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 47 P 0.00 4.60 0.00 2.06 1.94 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 48 K 8.29 4.12 0.00 1.87 1.82 0.00 1.58 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.44 7.81 49 A 8.39 4.53 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.48 4.63 0.00 1.97 1.12 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 2.22 2.39 0.00 *52 R 8.73 4.31 0.00 1.77 2.06 0.00 2.97 0.00 0.00 2.85 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.39 0.00 53 D 8.24 5.35 0.00 2.74 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.21 4.58 2.44 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 1.05 0.00 0.00 1.03 0.00 0.00 55 I 8.45 5.51 1.92 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.37 0.98 0.00 0.00 56 N 9.47 5.35 0.00 2.93 3.00 0.00 0.00 6.65 7.22 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 57 C 8.72 5.76 0.00 2.86 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 58 C 9.25 4.88 0.00 2.96 3.15 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 59 G 8.65 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.48 4.61 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 61 D 8.54 4.73 0.00 2.66 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 9.32 3.81 0.00 1.84 1.78 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.29 7.81 63 C 8.01 4.26 0.00 3.12 3.24 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 0.00 64 N 7.24 4.86 0.00 2.71 2.86 0.00 0.00 6.86 7.01 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 65 K 8.11 4.06 0.00 1.73 1.76 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.