NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2950 8.3344 115.2878 58.1378 62.7147 172.7931 3 I 4.1798 8.0382 128.6152 57.0758 39.6816 173.7061 4 T 4.0489 8.8774 119.0183 61.1399 69.6546 173.2961 5 S 4.0828 8.3087 114.7007 61.1336 63.0438 176.6174 6 D 4.4489 7.8431 118.5420 57.2710 41.2442 179.0697 7 E 3.9953 7.9248 118.5335 59.5741 29.4096 179.9472 8 V 3.7577 8.8606 120.2579 64.6108 31.0083 177.8725 9 N 4.6315 8.3393 116.7880 56.4159 38.4444 176.5902 10 F 4.2072 9.1267 122.4573 61.5444 39.2488 176.6755 11 L 4.1465 8.2686 119.8003 58.3090 41.7182 179.0715 12 V 3.6771 8.1369 118.0165 65.4476 31.5194 177.0272 13 Y 4.1293 9.2856 119.8166 61.2023 38.4469 178.3212 14 R 3.7600 8.5097 118.8510 59.4728 30.2535 178.2415 15 Y 4.1206 7.8628 118.9147 60.7770 38.5361 178.8178 16 L 3.7790 7.7154 119.8543 57.6241 41.7672 179.0860 17 Q 3.8224 7.3648 117.8989 58.9720 28.6784 178.6756 18 E 3.8839 8.2717 119.5430 59.7638 29.5861 179.5834 19 S 4.1477 7.4556 111.6563 59.4688 63.0039 175.2563 20 G 3.7188 7.9672 108.7381 46.0230 0.0000 175.4427 21 F 4.3349 8.2421 119.5281 56.2934 35.5016 176.4082 22 S 4.0349 7.5962 116.8304 61.7293 63.0495 174.3661 23 H 4.1543 8.1904 118.4645 59.3190 28.3475 177.6489 24 S 4.1832 8.2334 115.6377 61.8055 62.5214 176.2218 25 A 3.8995 8.3857 123.8521 55.7110 17.9036 179.1148 26 F 4.2816 8.7538 119.5816 61.4317 39.4889 177.3531 27 T 3.8580 8.3363 114.6290 66.8907 68.4538 176.4023 28 F 4.2395 8.7694 122.8046 61.0823 39.1064 177.0372 29 G 3.9274 7.6979 104.1053 48.1486 0.0000 175.4111 30 I 3.7091 7.3926 122.2261 63.8534 36.9768 178.0670 31 E 3.8192 8.0845 119.4091 58.8437 29.3988 177.9632 32 S 4.2858 7.7166 113.0549 57.5777 63.1914 173.9931 33 H 4.0285 7.6372 116.6447 56.9669 27.0813 176.2805 34 I 3.4864 7.0899 122.2692 64.1279 37.7973 178.1095 35 S 4.0573 7.9033 113.7689 61.2616 62.8622 175.3301 36 Q 4.0830 8.0982 118.4032 57.0411 28.6655 176.4738 37 S 4.1022 7.7404 114.0573 58.6110 62.9575 173.7511 38 N 4.6957 8.5260 127.8665 53.9091 38.6823 174.5468 39 I 4.3061 7.3188 117.5987 59.5541 40.3053 176.7773 40 N 4.5991 8.1581 124.3998 52.3128 37.2371 176.1543 41 G 4.0914 7.6100 113.3588 45.5352 0.0000 172.1011 42 T 4.4532 8.3692 110.8613 61.3654 70.2399 175.0710 43 L 4.4498 7.0664 117.7850 54.6276 42.6632 176.5930 44 V 3.9316 7.5666 119.1498 61.4765 32.1747 173.9312 45 P 4.6534 0.0000 0.0000 61.0713 32.2548 174.1593 46 P 5.2436 0.0000 0.0000 62.9612 31.9756 175.8784 47 A 3.8683 10.5000 120.8020 53.2334 17.0837 180.0357 48 A 3.9973 8.1686 123.0214 56.3716 18.8026 179.3392 49 L 3.8907 7.9473 118.4045 58.3867 42.2002 178.7587 50 I 3.6223 7.7901 119.4055 64.7043 37.1699 178.4668 51 S 4.2096 8.4429 114.9378 61.3761 62.8329 176.5103 52 I 3.7245 7.8730 123.6409 64.0294 36.8087 178.2949 53 L 3.9204 8.0085 119.8606 57.8973 41.4321 179.2605 54 Q 3.9795 7.9598 119.3354 59.1789 28.7042 178.2860 55 K 4.0216 8.0020 118.4695 59.5070 32.5666 178.8130 56 G 3.9447 8.4104 106.0287 48.1795 0.0000 175.2409 57 L 4.0519 8.4606 123.0900 57.8484 41.9729 178.9740 58 Q 4.2572 8.5107 118.1247 58.5683 28.5014 177.5870 59 Y 4.0911 7.9678 120.3237 59.8749 38.8360 177.8397 60 V 3.6671 7.7051 119.1989 66.1026 31.7564 177.5790 61 E 3.9707 7.9115 117.3548 59.2020 28.9325 179.4212 62 A 3.8575 7.7351 120.5301 55.3269 18.3638 179.4530 63 E 3.8753 7.3397 115.5358 59.5208 29.7765 179.5306 64 I 3.8687 7.7041 119.8824 63.8694 36.9958 178.6024 65 S 4.6959 7.5000 112.5672 58.3998 64.2109 175.0797 66 I 3.8097 7.3194 119.5009 64.1807 38.2506 176.0360 *67 N 4.5091 7.5592 120.9394 52.3614 38.1304 177.8685 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 S 8.33 4.30 0.00 3.83 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 3 I 8.04 4.18 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 1.47 1.00 0.91 0.00 0.00 4 T 8.88 4.05 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 1.25 0.00 0.00 5 S 8.31 4.08 0.00 3.89 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 7.84 4.45 0.00 2.76 2.71 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 E 7.92 4.00 0.00 2.38 2.03 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 2.31 2.33 0.00 8 V 8.86 3.76 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 1.07 0.00 0.00 0.96 0.00 0.00 9 N 8.34 4.63 0.00 3.03 3.13 0.00 0.00 6.76 8.13 0.00 0.00 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 F 9.13 4.21 0.00 3.28 3.28 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 11 L 8.27 4.15 0.00 2.16 1.84 1.04 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.14 3.68 2.20 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 0.12 0.00 0.00 0.80 0.00 0.00 13 Y 9.29 4.13 0.00 3.38 2.94 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 0.00 0.00 0.00 14 R 8.51 3.76 0.00 1.94 1.97 0.00 3.66 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.91 0.00 15 Y 7.86 4.12 0.00 3.03 2.91 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 16 L 7.72 3.78 0.00 1.68 1.60 0.64 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.36 3.82 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.10 1.89 0.00 18 E 8.27 3.88 0.00 1.93 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 2.32 2.38 0.00 19 S 7.46 4.15 0.00 3.48 4.03 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 20 G 7.97 3.72 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 0.00 0.00 0.00 21 F 8.24 4.33 0.00 3.03 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 22 S 7.60 4.03 0.00 3.79 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 23 H 8.19 4.15 0.00 3.27 3.39 0.00 5.67 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 24 S 8.23 4.18 0.00 4.05 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 25 A 8.39 3.90 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 26 F 8.75 4.28 0.00 3.21 3.29 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 27 T 8.34 3.86 4.38 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 1.29 0.00 0.00 28 F 8.77 4.24 0.00 3.13 3.18 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 29 G 7.70 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 30 I 7.39 3.71 1.70 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 1.41 0.91 0.76 0.00 0.00 31 E 8.08 3.82 0.00 2.02 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 32 S 7.72 4.29 0.00 3.60 2.94 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 0.00 0.00 0.00 33 H 7.64 4.03 0.00 3.28 3.28 0.00 5.65 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.09 3.49 1.59 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 1.35 1.58 0.54 0.00 0.00 35 S 7.90 4.06 0.00 3.98 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 36 Q 8.10 4.08 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 37 S 7.74 4.10 0.00 4.00 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 38 N 8.53 4.70 0.00 2.68 2.73 0.00 0.00 6.99 7.94 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 39 I 7.32 4.31 1.48 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 1.30 0.78 -0.19 0.00 0.00 40 N 8.16 4.60 0.00 2.65 2.63 0.00 0.00 7.09 7.93 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 41 G 7.61 4.09 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 0.00 0.00 0.00 42 T 8.37 4.45 4.27 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 1.27 0.00 0.00 43 L 7.07 4.45 0.00 1.81 1.72 0.91 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 44 V 7.57 3.93 2.24 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 0.97 0.00 0.00 0.93 0.00 0.00 45 P 0.00 4.65 0.00 2.12 2.01 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 46 P 0.00 5.24 0.00 2.07 2.01 0.00 3.91 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 47 A 10.50 3.87 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 4.00 1.46 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 49 L 7.95 3.89 0.00 1.94 1.58 0.87 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.79 3.62 2.05 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 1.69 0.65 0.93 0.00 0.00 51 S 8.44 4.21 0.00 4.05 4.14 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 52 I 7.87 3.72 1.96 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 1.52 0.69 0.89 0.00 0.00 53 L 8.01 3.92 0.00 1.99 1.66 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.96 3.98 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 55 K 8.00 4.02 0.00 2.02 1.86 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.71 7.81 56 G 8.41 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.46 4.05 0.00 1.98 1.80 0.92 0.74 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 58 Q 8.51 4.26 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 59 Y 7.97 4.09 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 60 V 7.71 3.67 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.07 0.00 0.00 61 E 7.91 3.97 0.00 2.17 1.98 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 2.33 2.57 0.00 62 A 7.74 3.86 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 63 E 7.34 3.88 0.00 1.80 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 2.17 1.88 0.00 64 I 7.70 3.87 2.09 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 1.58 1.16 0.90 0.00 0.00 65 S 7.50 4.70 0.00 3.96 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 66 I 7.32 3.81 1.83 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 1.16 0.64 0.88 0.00 0.00 *67 N 7.56 4.51 0.00 2.73 2.66 0.00 0.00 6.87 7.44 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 * Residues marked with a * may have inaccurate shift predictions.