NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2918 8.4444 120.2265 56.2362 31.5872 176.0140 2 L 3.8490 7.8719 118.8634 54.8300 42.5695 170.7414 3 V 4.4695 9.2089 125.0252 61.3915 35.9510 173.3724 4 M 4.9233 8.7986 127.0499 54.1389 33.9272 175.3884 5 T 4.4694 9.3293 122.5370 62.0135 70.4532 173.4825 6 Q 5.2314 8.6639 128.2714 54.4703 31.1751 174.6351 7 T 4.8951 8.6406 115.3823 59.5178 72.6415 171.6673 8 P 4.7742 0.0000 0.0000 61.8089 32.6638 176.0350 9 L 4.0682 8.5191 121.6319 57.5183 42.2436 177.2555 10 S 4.6649 7.6588 110.1975 56.4089 65.3496 173.4847 11 L 4.3890 8.0326 127.4282 53.4235 42.5600 173.3654 12 P 4.5552 0.0000 0.0000 62.2897 32.2547 176.6728 13 V 4.2374 7.6512 110.8664 60.8215 35.1242 173.0328 14 S 4.5443 8.5009 118.3302 56.7913 64.7242 173.7634 15 L 3.9247 8.3077 120.6997 56.3347 41.7706 179.5508 16 G 3.9760 8.6453 107.2115 46.4315 0.0000 173.6733 17 D 4.6688 7.5958 118.9321 53.4584 42.2586 174.8164 18 Q 4.5573 8.3884 120.2747 54.3723 30.7007 174.2668 19 A 4.8673 8.4453 127.3605 50.2095 21.6464 175.5800 20 S 4.7211 8.4194 114.8837 56.4246 66.0081 173.4939 21 I 4.5611 8.2976 123.4772 59.5914 40.1523 174.8884 22 S 4.9044 8.6506 120.0210 57.2702 66.1788 173.0399 23 C 5.0058 8.5420 122.2575 56.1362 43.8459 173.0179 24 R 4.9817 9.4210 126.5779 54.2953 32.8402 175.3147 25 S 5.3553 8.3475 116.6713 56.3217 65.2030 175.0576 26 S 4.4735 8.9207 118.9256 60.8596 63.1343 174.6030 27 Q 4.3663 7.5653 116.2924 54.6534 31.4083 174.0004 *271 S 4.3562 8.3784 114.9764 58.5777 63.2208 172.9972 272 I 4.6875 7.9563 116.3067 60.6041 38.2038 175.0262 273 V 4.0523 7.3318 118.9650 63.1178 32.2370 175.3113 274 H 4.7189 8.4472 123.0480 54.0623 30.3230 175.5404 275 S 4.2966 8.5122 114.3464 58.9266 62.6495 174.2632 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 E 8.44 4.29 0.00 2.12 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 0.00 2.21 2.30 0.00 2 L 7.87 3.85 0.00 1.85 1.59 0.93 0.53 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 3 V 9.21 4.47 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 1.00 0.00 0.00 0.96 0.00 0.00 4 M 8.80 4.92 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 5 T 9.33 4.47 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 6 Q 8.66 5.23 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.49 0.00 7 T 8.64 4.90 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 8 P 0.00 4.77 0.00 2.39 2.08 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 9 L 8.52 4.07 0.00 1.62 1.74 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.66 4.66 0.00 3.81 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 4.39 0.00 1.59 1.52 0.95 0.96 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 12 P 0.00 4.56 0.00 2.08 1.96 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 13 V 7.65 4.24 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 0.64 0.00 0.00 0.93 0.00 0.00 14 S 8.50 4.54 0.00 3.97 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 15 L 8.31 3.92 0.00 1.69 1.66 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.65 3.98 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 0.00 0.00 0.00 17 D 7.60 4.67 0.00 2.90 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.39 4.56 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 19 A 8.45 4.87 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.42 4.72 0.00 3.92 3.79 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 0.00 0.00 0.00 21 I 8.30 4.56 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 1.41 0.68 0.91 0.00 0.00 22 S 8.65 4.90 0.00 3.74 3.74 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 23 C 8.54 5.01 0.00 2.93 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 24 R 9.42 4.98 0.00 1.77 1.78 0.00 3.17 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 25 S 8.35 5.36 0.00 3.94 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 26 S 8.92 4.47 0.00 3.89 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 27 Q 7.57 4.37 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.52 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 *271 S 8.38 4.36 0.00 3.88 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 0.00 272 I 7.96 4.69 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 1.31 0.85 0.98 0.00 0.00 273 V 7.33 4.05 2.09 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 0.81 0.00 0.00 0.94 0.00 0.00 274 H 8.45 4.72 0.00 3.13 3.23 0.00 5.96 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 275 S 8.51 4.30 0.00 3.97 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 * Residues marked with a * may have inaccurate shift predictions.