NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.5483 8.3349 115.5164 57.7190 65.6141 173.2513 4 D 4.4984 7.5610 119.3302 52.9310 43.6945 172.8753 5 Y 4.8865 8.9017 122.0030 57.2632 40.7635 175.2513 6 V 4.8507 8.5485 121.7173 61.5105 35.6098 173.2799 *8 A 4.6017 8.4647 119.4658 52.3132 20.0785 176.2268 9 T 4.8085 8.3542 111.9899 59.4459 71.0756 175.7030 10 K 3.7721 8.6791 125.2968 59.3960 32.2848 176.8932 11 D 4.7313 8.0833 116.5986 53.0684 39.6068 175.9819 12 G 4.1775 8.4892 110.9356 46.3361 0.0000 175.6931 13 R 4.1046 7.2247 114.9953 55.7270 29.6311 174.9138 *15 I 4.1561 8.1457 120.4295 62.0373 37.8972 175.3852 16 L 4.4267 8.3172 125.2490 55.0325 42.6758 175.7599 17 T 4.8556 8.1389 113.9235 61.1168 71.4537 172.4211 18 D 4.7216 9.2843 123.2288 55.4564 42.6522 175.8751 19 G 3.9122 9.1039 111.3964 44.4375 0.0000 171.1156 20 K 2.8544 7.7851 119.7700 54.3677 32.4023 174.6340 21 P 4.6286 0.0000 0.0000 62.7394 32.6567 175.1073 22 E 4.4664 9.0669 121.0932 54.6763 32.4528 174.6350 23 I 4.3521 8.4818 128.7670 60.3761 37.9603 175.1519 24 D 4.6999 8.8011 129.1889 52.9212 41.5243 176.8476 25 D 4.5547 8.8169 126.2225 56.0808 41.3483 177.4699 26 D 4.5756 8.2505 118.9345 55.8019 41.1550 177.1644 27 T 4.3784 7.7886 106.7597 60.2565 70.8407 173.8527 28 G 3.8362 8.4266 110.5216 46.5061 0.0000 172.9204 29 L 5.0358 7.5624 116.9206 52.6457 46.8431 176.2809 30 V 4.8282 8.9429 123.0351 61.5174 33.5008 174.6292 31 S 5.1990 8.9215 124.8426 57.7617 64.8511 172.8234 32 Y 5.0205 8.0263 119.3886 56.8441 41.2832 172.2950 33 H 5.7159 8.9723 116.7117 53.1970 31.2991 173.6735 34 D 5.1080 8.5434 127.0984 53.9080 39.2060 177.4516 35 Q 4.2924 8.7417 114.1515 57.8520 29.4139 175.7978 36 Q 4.3629 8.2193 115.5914 55.9730 29.6000 175.7822 37 G 3.9197 8.1083 102.4413 47.1623 0.0000 174.4929 38 N 4.7978 8.1348 114.1984 50.9611 41.4055 175.2520 39 A 4.6888 8.1218 125.4881 51.3028 19.4247 176.2942 *41 Q 4.4844 8.2271 118.0835 55.9277 30.2052 174.7856 42 I 4.7408 8.6989 122.4543 58.8729 42.1435 173.9713 43 N 4.5255 8.9341 125.7969 53.8208 39.0319 175.4819 44 R 3.8201 8.6504 125.0032 59.6225 30.3852 177.7091 45 D 4.4326 8.2265 115.4924 57.4657 41.3466 176.4673 46 D 4.6600 8.4932 117.0522 54.2929 40.9956 175.4364 47 V 4.7472 7.9851 120.5906 61.0414 33.0927 175.3670 48 S 4.7035 8.7293 120.7305 58.8329 64.8227 174.2815 49 Q 4.6310 7.7312 117.7098 54.4739 32.7699 174.0980 50 I 4.4091 8.4292 123.7230 59.8057 39.3121 174.9340 51 I 4.3529 9.0075 129.3874 59.5597 39.1131 174.3790 52 E 4.0064 8.6964 128.6823 54.5191 30.8712 175.2294 53 R 4.3851 8.3460 127.2582 54.2927 31.3625 175.9691 54 L 4.0800 8.3741 124.4379 54.7262 42.3812 176.6033 55 E 4.4840 8.4377 122.6881 54.8852 31.2892 174.8925 56 H 4.8793 8.2651 120.7183 54.3040 32.4198 173.3494 57 H 4.5906 8.7219 118.9625 56.1776 28.6992 175.2699 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 S 8.33 4.55 0.00 3.92 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 4 D 7.56 4.50 0.00 2.66 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.90 4.89 0.00 3.10 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 6 V 8.55 4.85 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 0.81 0.00 0.00 0.91 0.00 0.00 *8 A 8.46 4.60 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.35 4.81 4.36 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 1.17 0.00 0.00 10 K 8.68 3.77 0.00 1.74 1.90 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.40 7.81 11 D 8.08 4.73 0.00 2.82 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 12 G 8.49 4.18 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 0.00 0.00 0.00 13 R 7.22 4.10 0.00 1.93 1.91 0.00 3.17 0.00 0.00 3.18 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 *15 I 8.15 4.16 1.70 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.43 0.78 0.00 0.00 16 L 8.32 4.43 0.00 1.56 1.62 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.14 4.86 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 18 D 9.28 4.72 0.00 2.82 2.69 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 0.00 0.00 0.00 0.00 19 G 9.10 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 0.00 0.00 0.00 0.00 20 K 7.79 2.85 0.00 0.79 1.34 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.06 0.72 7.81 21 P 0.00 4.63 0.00 1.89 1.95 0.00 3.29 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 22 E 9.07 4.47 0.00 1.94 1.74 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 2.17 2.22 0.00 23 I 8.48 4.35 1.86 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 1.22 0.67 0.91 0.00 0.00 24 D 8.80 4.70 0.00 2.76 2.56 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 0.00 0.00 0.00 0.00 25 D 8.82 4.55 0.00 2.71 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 26 D 8.25 4.58 0.00 2.88 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 27 T 7.79 4.38 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 1.28 0.00 0.00 28 G 8.43 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 29 L 7.56 5.04 0.00 1.56 1.52 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.94 4.83 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 0.97 0.00 0.00 0.93 0.00 0.00 31 S 8.92 5.20 0.00 3.81 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 32 Y 8.03 5.02 0.00 3.02 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.97 5.72 0.00 3.32 3.19 0.00 5.90 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.54 5.11 0.00 2.86 2.69 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 0.00 0.00 0.00 0.00 35 Q 8.74 4.29 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 7.68 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 36 Q 8.22 4.36 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 37 G 8.11 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.13 4.80 0.00 3.18 2.62 0.00 0.00 6.98 7.30 0.00 0.00 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 A 8.12 4.69 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 0.00 0.00 *41 Q 8.23 4.48 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 42 I 8.70 4.74 2.08 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 1.26 1.62 0.97 0.00 0.00 43 N 8.93 4.53 0.00 2.89 2.77 0.00 0.00 6.71 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 44 R 8.65 3.82 0.00 1.79 1.96 0.00 3.11 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 45 D 8.23 4.43 0.00 2.66 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 46 D 8.49 4.66 0.00 2.85 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.99 4.75 2.18 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 0.84 0.00 0.00 0.96 0.00 0.00 48 S 8.73 4.70 0.00 3.97 3.93 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 0.00 0.00 0.00 49 Q 7.73 4.63 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 50 I 8.43 4.41 1.91 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 1.35 0.86 1.01 0.00 0.00 51 I 9.01 4.35 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.73 0.87 0.00 0.00 52 E 8.70 4.01 0.00 1.77 1.68 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 1.75 1.47 0.00 53 R 8.35 4.39 0.00 1.75 1.78 0.00 3.13 0.00 0.00 3.12 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 54 L 8.37 4.08 0.00 1.40 1.41 0.89 0.91 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 55 E 8.44 4.48 0.00 1.84 1.72 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 2.17 2.27 0.00 56 H 8.27 4.88 0.00 3.11 3.10 0.00 5.74 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 H 8.72 4.59 0.00 3.16 3.18 0.00 5.73 0.00 0.00 0.00 0.00 6.91 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.