NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8551 8.3501 109.7365 45.0079 0.0000 173.3777 3 A 4.0914 8.0151 122.0553 50.7179 19.2051 175.9410 4 Q 4.3653 9.2633 124.9624 54.6942 31.1778 172.8185 5 V 4.8274 8.2662 126.2583 61.0616 34.0889 174.4963 6 S 4.6086 8.1088 120.9590 56.5433 67.0120 173.2721 7 S 4.8138 8.4959 117.4883 58.5756 63.0380 174.4426 8 Q 4.2336 9.2308 125.0677 55.8552 29.4477 177.0392 9 K 4.1616 8.5762 124.3643 54.7679 30.9376 175.1955 10 V 3.5959 8.0952 124.0322 62.4172 32.4451 174.5845 11 G 3.2674 8.6861 118.3464 47.2564 0.0000 173.8409 12 A 4.1560 8.5180 129.7480 51.3139 18.9461 177.9181 13 H 4.4928 8.6896 120.6024 55.3099 29.1857 175.6770 14 E 4.0517 8.6629 125.6898 56.3185 30.5546 177.2007 15 N 4.7462 8.5128 121.8039 53.6477 36.3230 173.9243 16 S 4.3807 7.3691 115.1253 59.8334 65.5654 174.7825 *23 S 4.0989 7.6164 112.8468 58.1805 63.0704 173.1065 24 T 4.1811 8.5277 122.4390 61.6552 67.6924 173.2102 25 I 4.5067 8.3071 129.7542 59.9257 39.2787 174.7892 26 N 5.6136 8.8168 123.8433 51.8317 41.3486 173.5818 27 Y 4.9843 8.8187 118.2553 55.6982 41.6522 174.2915 28 T 5.0466 8.6632 117.3045 62.3402 71.0765 173.9850 29 T 4.7648 8.9922 121.5800 61.8572 72.5596 173.0313 30 I 4.7191 8.0446 125.3558 59.4252 40.6800 174.7487 31 N 4.2526 8.6547 124.8729 53.0887 38.9606 174.7563 32 Y 4.5520 8.0582 120.3362 58.6425 38.8427 175.1093 33 Y 4.8834 7.5650 116.6634 55.6027 40.9217 175.5940 34 K 4.0300 8.9568 125.0906 59.5863 32.6680 176.9614 35 D 4.5269 8.1264 121.1484 53.8335 40.7607 176.9720 36 S 4.2140 8.9566 120.2908 61.2237 62.9420 176.5891 37 A 3.9841 8.0638 122.7857 55.1963 18.1275 178.6628 38 S 4.1289 8.0890 110.9222 60.6760 63.0523 174.7665 39 N 4.4723 7.8425 117.8559 52.5209 38.7586 174.7220 40 A 4.1361 8.2991 124.1012 51.8134 17.9981 176.6743 41 A 4.3564 8.2584 122.1058 51.1708 19.1086 178.4820 42 S 4.2880 8.9308 118.5165 59.9431 62.5488 175.0411 43 K 4.2264 7.2081 115.0201 56.0473 30.3323 176.0885 44 Q 4.4208 7.4682 119.3665 54.3883 27.2233 173.2919 45 D 4.6660 7.7117 119.9254 52.2204 42.7942 176.3537 46 Y 4.4281 7.9733 122.5130 56.7114 39.0391 174.8835 47 S 4.9598 8.3697 115.8511 57.0394 65.7249 172.0158 48 Q 4.5643 8.0527 116.9201 55.0941 31.1117 173.1342 49 D 4.5222 8.4209 117.9709 53.2503 41.8558 174.3153 50 P 4.5487 0.0000 0.0000 66.4348 31.8780 179.7734 51 S 3.9311 7.8413 115.4238 61.1445 63.0854 176.3925 52 K 3.7670 7.8073 117.9351 59.3764 32.3264 177.6461 53 F 4.7769 7.9679 117.6417 59.5617 39.5820 177.3003 54 T 4.2332 7.8213 108.0705 63.6510 69.8183 174.9277 55 E 4.8084 8.3430 122.6205 55.0206 31.0706 174.6229 56 P 4.6947 0.0000 0.0000 62.7515 31.4743 177.3158 57 L 4.3278 7.9087 119.2251 54.8547 42.4710 177.4235 58 K 4.0153 8.7381 123.7201 58.9359 32.3377 176.6891 59 D 4.6986 7.6495 119.6944 52.2082 40.2861 174.5109 60 V 3.7460 8.0160 122.8097 62.3303 32.0308 175.6778 61 L 4.5870 8.1577 127.0611 52.9760 43.5735 175.9684 62 I 3.9498 8.0416 121.4668 60.2532 38.4894 176.8952 63 K 3.8259 8.8657 127.5854 59.9789 32.1418 177.6264 64 T 4.1032 7.8337 107.4820 62.6318 69.4970 174.6878 65 A 4.4492 7.8142 125.3458 49.8758 19.8704 175.1977 66 P 4.2398 0.0000 0.0000 62.8470 31.6862 176.3336 67 A 4.0541 8.8831 125.9187 54.3683 18.4729 177.2758 68 L 4.6260 7.7976 115.2913 53.0512 43.4341 176.0349 69 N 4.5423 8.7193 121.3591 53.5830 39.0343 173.9746 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 G 8.35 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 0.00 0.00 0.00 3 A 8.02 4.09 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 4 Q 9.26 4.37 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 5 V 8.27 4.83 2.00 0.00 0.00 0.00 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 0.87 0.00 0.00 6 S 8.11 4.61 0.00 3.74 3.71 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 7 S 8.50 4.81 0.00 3.81 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 8 Q 9.23 4.23 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.16 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 9 K 8.58 4.16 0.00 1.74 1.76 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.44 7.81 10 V 8.10 3.60 1.99 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 0.53 0.00 0.00 0.92 0.00 0.00 11 G 8.69 3.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.52 4.16 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 13 H 8.69 4.49 0.00 3.13 3.29 0.00 5.72 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.66 4.05 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 15 N 8.51 4.75 0.00 2.76 2.79 0.00 0.00 6.86 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.37 4.38 0.00 3.85 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 *23 S 7.62 4.10 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 24 T 8.53 4.18 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 1.22 0.00 0.00 25 I 8.31 4.51 1.90 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 1.37 0.63 0.94 0.00 0.00 26 N 8.82 5.61 0.00 2.58 2.75 0.00 0.00 6.85 7.46 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 27 Y 8.82 4.98 0.00 2.93 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 28 T 8.66 5.05 4.28 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 1.21 0.00 0.00 29 T 8.99 4.76 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 1.19 0.00 0.00 30 I 8.04 4.72 1.84 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.60 0.92 0.00 0.00 31 N 8.65 4.25 0.00 2.65 2.73 0.00 0.00 7.10 7.46 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 32 Y 8.06 4.55 0.00 2.48 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 33 Y 7.56 4.88 0.00 2.94 2.84 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 34 K 8.96 4.03 0.00 1.77 1.90 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.50 7.81 35 D 8.13 4.53 0.00 2.76 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.96 4.21 0.00 4.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 3.98 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 38 S 8.09 4.13 0.00 4.01 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.84 4.47 0.00 2.77 2.75 0.00 0.00 6.93 6.91 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 40 A 8.30 4.14 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 41 A 8.26 4.36 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 42 S 8.93 4.29 0.00 3.89 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 43 K 7.21 4.23 0.00 1.96 1.82 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.50 7.81 44 Q 7.47 4.42 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.28 6.63 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 45 D 7.71 4.67 0.00 2.60 2.36 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 0.00 46 Y 7.97 4.43 0.00 3.04 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 47 S 8.37 4.96 0.00 4.03 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 48 Q 8.05 4.56 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.98 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 49 D 8.42 4.52 0.00 2.65 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.55 0.00 2.33 2.41 0.00 3.81 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 51 S 7.84 3.93 0.00 3.87 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 52 K 7.81 3.77 0.00 1.49 1.68 0.00 0.61 0.00 0.00 1.14 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.73 0.21 7.81 53 F 7.97 4.78 0.00 3.16 3.03 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 54 T 7.82 4.23 4.28 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 1.28 0.00 0.00 55 E 8.34 4.81 0.00 1.97 1.86 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 2.23 2.26 0.00 56 P 0.00 4.69 0.00 2.18 2.24 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 57 L 7.91 4.33 0.00 1.63 1.63 0.92 0.70 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 58 K 8.74 4.02 0.00 1.71 1.83 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.45 7.81 59 D 7.65 4.70 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.75 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 0.82 0.00 0.00 0.96 0.00 0.00 61 L 8.16 4.59 0.00 1.67 1.57 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.04 3.95 1.87 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 1.47 1.57 0.91 0.00 0.00 63 K 8.87 3.83 0.00 1.90 1.97 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.47 7.81 64 T 7.83 4.10 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 65 A 7.81 4.45 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 66 P 0.00 4.24 0.00 2.35 2.09 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 67 A 8.88 4.05 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 68 L 7.80 4.63 0.00 1.61 1.59 0.92 0.92 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 69 N 8.72 4.54 0.00 2.65 2.65 0.00 0.00 7.09 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.