NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6164 8.2827 118.1294 52.7374 39.3184 174.4414 3 L 3.9523 8.1104 126.5758 56.1541 41.8679 176.9556 4 H 4.0225 8.1467 116.2384 58.7310 28.8329 177.1237 5 F 4.3396 7.6627 120.5655 60.1871 38.8724 177.7420 6 C 4.1116 8.7762 118.5197 60.2765 38.5085 175.9976 7 Q 3.9444 8.1409 119.1530 58.7704 28.0899 178.4188 8 L 3.9928 7.4462 118.7369 58.0228 42.0841 179.4882 9 R 4.1173 8.5651 118.0365 59.6685 30.1285 178.6124 10 C 4.4560 8.6096 115.9520 59.2136 40.9622 175.9100 11 K 3.8288 7.9302 121.7498 59.5446 31.4762 178.8341 12 S 4.1847 7.9332 114.7850 61.1498 62.8124 175.8218 13 L 4.3788 7.7709 119.0650 54.8427 41.7952 177.3948 14 G 3.8683 8.1392 107.0544 45.5763 0.0000 172.6722 15 L 4.8470 7.6850 118.3236 52.3515 45.3483 175.6615 16 L 4.5567 8.2189 118.7518 53.7647 42.9588 176.1500 17 G 4.5684 8.3017 109.1882 44.8565 0.0000 172.7134 18 R 4.8632 8.4383 116.9417 54.7076 33.0730 174.4677 19 C 4.8992 8.6922 118.2901 60.1758 28.6730 173.3442 20 A 4.5366 9.1486 120.6414 52.4250 20.7690 178.2101 *22 T 4.0847 7.8563 103.7165 60.8886 70.5795 173.4913 23 F 4.9188 7.5257 121.3361 56.3429 42.0474 173.3757 24 C 5.2631 8.8812 119.5844 55.0130 41.7461 172.6125 25 A 4.8877 8.7711 126.7430 50.3305 22.2011 175.5797 26 C 5.0808 8.7257 117.2231 56.3902 41.6252 173.8525 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 N 8.28 4.62 0.00 3.17 2.88 0.00 0.00 6.64 5.85 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 3 L 8.11 3.95 0.00 1.77 1.58 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 4 H 8.15 4.02 0.00 2.86 3.31 0.00 5.51 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 5 F 7.66 4.34 0.00 3.27 3.06 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 6 C 8.78 4.11 0.00 3.08 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 7 Q 8.14 3.94 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 8 L 7.45 3.99 0.00 1.89 1.82 1.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.57 4.12 0.00 1.85 2.01 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 10 C 8.61 4.46 0.00 3.04 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 11 K 7.93 3.83 0.00 2.15 1.94 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 12 S 7.93 4.18 0.00 4.13 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 13 L 7.77 4.38 0.00 1.62 1.72 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.14 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.69 4.85 0.00 1.62 1.58 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.22 4.56 0.00 1.71 1.57 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.30 4.57 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 0.00 0.00 0.00 18 R 8.44 4.86 0.00 1.89 1.99 0.00 2.79 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 19 C 8.69 4.90 0.00 2.89 2.92 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 20 A 9.15 4.54 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.86 4.08 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 1.04 0.00 0.00 23 F 7.53 4.92 0.00 3.07 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 24 C 8.88 5.26 0.00 3.03 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 25 A 8.77 4.89 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 26 C 8.73 5.08 0.00 2.97 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 * Residues marked with a * may have inaccurate shift predictions.