NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.1274 8.1631 115.2469 62.9471 67.7049 170.1650 2 G 3.6612 8.4074 107.5919 41.9879 0.0000 177.1756 3 H 3.5087 8.9508 118.8305 55.3945 29.2439 174.7819 4 R 3.5158 9.7830 112.1199 58.1229 27.0309 175.7422 5 M 2.0000 7.2028 116.3901 53.6665 31.8306 177.5296 6 A 3.8650 7.6693 121.9233 55.8185 18.5262 179.7765 7 W 4.3759 7.6438 110.8504 59.4158 28.3850 175.7724 8 D 4.9556 7.3381 116.5817 52.0874 40.7046 172.8651 9 M 4.7997 7.6106 122.3465 57.1380 40.1953 175.1688 10 M 4.1807 7.9962 116.8291 57.1665 32.6783 176.8322 11 M 4.0106 8.1390 118.2032 55.9470 32.1966 176.2038 12 N 4.3303 8.4729 123.8389 51.6629 38.8725 174.6235 13 W 4.1398 7.6636 123.5403 57.3255 27.8216 178.7913 14 S 4.4827 8.9834 108.0359 54.9180 63.1887 172.8424 15 P 3.8489 0.0000 0.0000 61.6780 29.4995 177.8436 16 T 3.7590 7.7495 110.5429 66.4709 69.0993 174.5075 17 A 4.1848 7.9567 123.2666 53.6721 18.9102 179.0590 18 A 4.0795 7.9224 119.2739 55.2416 17.3493 179.5935 19 L 4.1103 8.0143 118.1308 58.4582 40.3427 179.8844 20 V 3.5689 7.4561 118.9622 65.8476 31.7692 177.6965 21 V 3.5973 8.2587 118.0991 66.1987 31.0181 177.5080 22 A 4.0874 8.2506 119.9993 55.0198 18.1393 178.8207 23 Q 4.2546 7.1589 111.4703 58.3790 29.5080 177.9980 24 L 4.1530 8.2250 120.6611 56.1424 43.1892 177.9661 25 L 4.6076 8.1721 118.5244 54.3628 43.0661 175.0002 26 R 4.5006 7.7314 112.3010 55.9790 30.2315 176.7056 27 I 4.6824 7.2000 117.4992 59.6906 41.7345 173.4376 28 P 4.4210 0.0000 0.0000 62.7050 30.4271 176.9875 *29 Q 4.1264 7.6659 120.0485 55.9905 28.7256 176.9356 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 T 8.16 4.13 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 2 G 8.41 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 H 8.95 3.51 0.00 3.36 3.23 0.00 5.77 0.00 0.00 0.00 0.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 9.78 3.52 0.00 1.86 1.95 0.00 3.23 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 5 M 7.20 2.00 0.00 1.71 1.75 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.99 0.00 6 A 7.67 3.87 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 7 W 7.64 4.38 0.00 3.49 3.24 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 8 D 7.34 4.96 0.00 2.88 2.68 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 0.00 0.00 0.00 9 M 7.61 4.80 0.00 1.83 1.85 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 10 M 8.00 4.18 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 11 M 8.14 4.01 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.66 0.00 12 N 8.47 4.33 0.00 2.56 2.67 0.00 0.00 7.14 7.80 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 13 W 7.66 4.14 0.00 3.61 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 S 8.98 4.48 0.00 3.88 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 15 P 0.00 3.85 0.00 1.85 1.08 0.00 3.24 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.28 0.00 16 T 7.75 3.76 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 1.27 0.00 0.00 17 A 7.96 4.18 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.92 4.08 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 19 L 8.01 4.11 0.00 1.86 1.82 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.46 3.57 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 1.02 0.00 0.00 0.99 0.00 0.00 21 V 8.26 3.60 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.01 0.00 0.00 22 A 8.25 4.09 1.37 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 23 Q 7.16 4.25 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 24 L 8.23 4.15 0.00 1.71 1.75 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.17 4.61 0.00 1.49 1.53 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.73 4.50 0.00 1.95 2.07 0.00 3.03 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 27 I 7.20 4.68 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 0.50 0.91 0.00 0.00 28 P 0.00 4.42 0.00 2.17 2.10 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 *29 Q 7.67 4.13 0.00 1.84 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.18 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.