NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9301 8.3549 109.7369 45.3514 0.0000 174.5992 3 K 3.8998 7.8618 119.2130 54.7154 32.8724 171.0164 4 V 4.4886 8.7309 123.1478 61.3354 35.4536 173.5574 5 Y 5.0496 8.8203 124.1236 56.1458 41.0049 174.6657 6 K 4.5492 8.4418 121.9349 54.4654 35.7830 174.7523 7 K 4.9199 8.4975 124.3030 54.5343 34.7263 175.5526 8 V 4.4879 8.8020 124.5168 61.0111 34.7371 173.6119 9 E 5.0512 8.7775 127.8225 54.8130 30.8157 174.7673 10 L 4.9069 9.3658 126.5452 52.8265 46.2221 175.8800 11 V 4.7264 8.3298 120.2190 61.2318 33.5113 174.9590 12 G 4.4553 9.0260 116.4377 44.9440 0.0000 171.8040 13 T 5.3980 8.0600 112.8342 60.1196 72.1641 172.9632 14 S 4.6590 8.6212 114.8100 57.9968 66.0156 175.7194 15 E 4.5805 9.1039 124.0809 57.7418 30.0754 177.7432 16 E 4.2492 8.5136 118.9145 56.9604 30.4682 176.4154 17 G 3.2695 7.0168 103.7597 44.5304 0.0000 173.0014 18 L 3.8158 7.4384 118.0593 57.7919 41.5487 179.2316 19 E 3.8982 8.0004 117.7982 59.3771 29.3751 179.1600 20 A 3.9226 7.8780 120.0472 54.9647 18.5986 179.2984 21 A 3.9229 7.8409 118.9762 55.3333 18.4638 179.9576 22 I 3.4813 7.7128 118.1599 64.6748 37.1447 178.7330 23 Q 3.8957 8.3070 118.9525 58.7374 28.4811 178.7669 24 A 3.9338 8.3634 122.0481 55.0083 18.3606 179.4931 25 A 3.8646 7.8233 118.7009 55.4145 18.5446 179.7640 26 L 3.8378 7.9388 117.2499 57.6446 41.4034 179.5761 27 A 3.9251 8.0959 120.4090 55.2063 18.5053 179.4012 28 R 3.9119 7.9487 116.9484 59.3102 30.1665 178.3807 29 A 3.9213 8.1270 121.0618 55.1728 18.2088 179.4549 30 R 4.2896 7.6570 111.8668 58.0933 29.7870 178.6052 31 K 4.0977 7.6816 119.5277 58.9707 32.0793 177.6155 32 T 4.3556 7.6847 113.5645 63.7888 70.7263 174.3337 33 L 4.3586 7.9770 120.1095 52.9499 43.2741 175.9791 34 R 4.5204 7.7527 119.7675 55.6221 33.3388 174.8353 35 H 4.1732 8.5050 113.5734 56.9125 25.8982 175.3243 36 L 4.5114 8.1361 118.8830 55.3906 42.2445 175.8530 37 D 5.2121 9.3080 122.7716 55.2527 43.0761 176.2319 38 W 5.5141 7.8675 113.2719 55.1070 32.0076 172.9465 39 F 5.3681 8.3359 114.0561 55.2839 41.0285 173.9420 40 E 4.7043 9.2997 118.9442 54.6082 33.2371 175.1129 41 V 4.0589 8.7953 125.5811 63.0724 31.5818 175.5949 42 K 4.4708 9.0889 127.7964 57.9453 33.6247 176.5844 43 E 4.7793 7.7587 117.8660 55.1500 33.1062 174.1116 44 I 5.0675 8.4528 126.2990 59.7172 40.2165 174.7186 45 R 4.6338 9.0206 123.5724 55.8579 33.4594 173.4607 46 G 4.1651 8.0674 105.1525 46.7335 0.0000 172.5743 47 T 4.7531 8.0365 109.9300 60.0515 71.5280 173.6669 48 I 4.7042 8.2589 123.1432 59.8116 39.7733 175.3143 49 G 4.3682 9.0546 116.0116 43.8048 0.0000 172.9716 50 E 3.9112 8.9054 117.1983 58.6799 29.5273 177.6617 51 A 4.6908 8.0778 120.0766 51.7093 20.5754 176.8666 52 G 3.9524 7.5974 107.3424 45.4232 0.0000 176.2699 53 V 3.6431 8.1891 125.3528 63.3182 31.5846 175.1668 54 K 4.1665 8.6777 129.6361 58.4378 32.7057 176.2897 55 E 4.7489 7.6927 118.7441 54.5548 33.1707 173.3794 56 Y 4.7058 9.2414 125.3674 57.6398 39.8411 174.5337 57 Q 4.9561 9.6718 122.5637 54.2154 32.5159 174.5434 58 V 4.7239 8.8722 125.6242 60.9923 33.8073 174.6156 59 V 4.4434 8.7105 129.8539 62.3915 32.7642 174.6199 60 L 5.2166 9.2657 129.5473 53.5440 45.9261 174.4274 61 E 4.9524 9.2667 125.7576 55.0699 31.6881 175.0357 62 V 4.4781 9.0598 124.6067 60.9817 34.2210 174.2142 63 G 2.8909 8.0389 115.9961 43.9356 0.0000 172.3537 64 F 5.6670 8.4583 118.8153 54.9493 41.9313 173.6996 65 R 4.0706 8.8430 121.8421 56.3019 30.4407 176.0457 66 L 4.4809 8.3124 126.7681 54.3583 42.5846 176.8441 67 E 4.3619 8.7819 121.9187 56.2203 31.7241 178.7941 68 E 3.3374 8.2138 121.9602 58.7484 27.8412 175.7599 *69 T 4.1515 8.5548 119.0688 62.0735 69.2274 172.0733 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 3.93 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 0.00 0.00 0.00 3 K 7.86 3.90 0.00 1.85 1.45 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.47 7.81 4 V 8.73 4.49 2.01 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 1.08 0.00 0.00 0.91 0.00 0.00 5 Y 8.82 5.05 0.00 3.02 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 6 K 8.44 4.55 0.00 1.45 0.74 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.15 1.27 7.81 7 K 8.50 4.92 0.00 1.63 1.64 0.00 2.05 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.12 1.38 7.81 8 V 8.80 4.49 2.26 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 0.79 0.00 0.00 1.09 0.00 0.00 9 E 8.78 5.05 0.00 2.02 1.84 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 2.22 2.44 0.00 10 L 9.37 4.91 0.00 1.52 1.47 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.33 4.73 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 0.80 0.00 0.00 0.93 0.00 0.00 12 G 9.03 4.46 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 0.00 0.00 0.00 13 T 8.06 5.40 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 14 S 8.62 4.66 0.00 3.90 3.88 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 15 E 9.10 4.58 0.00 2.03 2.01 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 2.45 2.34 0.00 16 E 8.51 4.25 0.00 1.94 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 0.00 2.33 2.39 0.00 17 G 7.02 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 18 L 7.44 3.82 0.00 1.56 1.63 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.00 3.90 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 20 A 7.88 3.92 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 21 A 7.84 3.92 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.71 3.48 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.82 0.25 0.00 0.00 23 Q 8.31 3.90 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 24 A 8.36 3.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.82 3.86 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 26 L 7.94 3.84 0.00 1.61 1.66 0.72 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.10 3.93 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 28 R 7.95 3.91 0.00 1.93 2.02 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.13 3.92 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 30 R 7.66 4.29 0.00 1.96 2.02 0.00 3.05 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.65 0.00 31 K 7.68 4.10 0.00 1.79 1.87 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.65 7.81 32 T 7.68 4.36 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 1.11 0.00 0.00 33 L 7.98 4.36 0.00 1.26 0.70 0.49 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.75 4.52 0.00 1.67 1.53 0.00 3.27 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 35 H 8.50 4.17 0.00 3.67 3.50 0.00 5.62 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 36 L 8.14 4.51 0.00 1.68 1.67 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.31 5.21 0.00 3.16 3.09 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 0.00 0.00 0.00 0.00 38 W 7.87 5.51 0.00 3.24 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 39 F 8.34 5.37 0.00 3.02 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.30 4.70 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 41 V 8.80 4.06 2.19 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 0.83 0.00 0.00 1.13 0.00 0.00 42 K 9.09 4.47 0.00 1.67 1.87 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.55 7.81 43 E 7.76 4.78 0.00 2.03 1.75 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 2.29 2.33 0.00 44 I 8.45 5.07 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.83 0.99 0.00 0.00 45 R 9.02 4.63 0.00 1.79 2.02 0.00 3.01 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 46 G 8.07 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 0.00 0.00 0.00 0.00 47 T 8.04 4.75 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 48 I 8.26 4.70 1.84 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 1.22 0.61 0.94 0.00 0.00 49 G 9.05 4.37 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 0.00 50 E 8.91 3.91 0.00 1.96 2.02 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 2.30 2.30 0.00 51 A 8.08 4.69 1.24 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 0.00 0.00 52 G 7.60 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.19 3.64 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.66 0.00 0.00 54 K 8.68 4.17 0.00 1.83 1.86 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.35 7.81 55 E 7.69 4.75 0.00 2.03 1.67 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 2.20 2.27 0.00 56 Y 9.24 4.71 0.00 3.09 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 57 Q 9.67 4.96 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 58 V 8.87 4.72 2.06 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 0.94 0.00 0.00 0.94 0.00 0.00 59 V 8.71 4.44 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 0.95 0.00 0.00 60 L 9.27 5.22 0.00 1.68 1.40 1.08 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.27 4.95 0.00 1.99 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 62 V 9.06 4.48 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 1.01 0.00 0.00 0.90 0.00 0.00 63 G 8.04 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 0.00 0.00 0.00 64 F 8.46 5.67 0.00 3.36 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 65 R 8.84 4.07 0.00 1.92 1.90 0.00 3.04 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.05 0.00 66 L 8.31 4.48 0.00 1.62 1.55 0.87 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.78 4.36 0.00 1.99 1.90 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 2.34 2.43 0.00 68 E 8.21 3.34 0.00 2.12 1.51 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 2.21 2.29 0.00 *69 T 8.55 4.15 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 * Residues marked with a * may have inaccurate shift predictions.