NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.2966 8.3331 120.8343 62.4084 30.4550 173.3697 2 G 3.6357 8.3237 113.0760 45.6103 0.0000 171.3521 3 G 3.5501 8.9895 107.6347 45.4548 0.0000 171.2350 4 A 4.7746 7.1506 121.5350 50.4896 21.9007 174.0136 5 C 5.0746 8.4223 115.4250 56.9222 42.5093 173.2180 *6 Y 4.7326 8.5697 119.1767 56.8707 41.6067 171.0340 7 C 5.7208 8.6268 116.7154 57.3358 43.9375 174.9217 8 R 5.2185 9.3941 122.3726 55.4920 33.9367 171.8004 9 I 4.8253 8.7442 123.1258 58.6501 39.0475 173.9040 10 P 4.5269 0.0000 0.0000 63.1340 32.2831 174.6764 11 A 4.6113 7.3905 119.9588 51.0184 22.0168 176.1237 12 C 4.6390 8.4096 117.0249 56.4952 40.4321 174.1870 13 I 3.9641 8.0938 121.8061 60.6851 37.3852 175.7457 14 A 4.0551 8.4961 126.2365 54.3818 18.4390 177.3068 15 G 3.9699 9.3060 112.8213 45.5078 0.0000 173.8155 16 E 4.7204 7.9074 116.7779 55.1367 32.3901 180.0106 17 R 4.6848 8.2138 114.7044 55.6289 34.7153 174.8885 18 R 4.7615 8.4921 122.4375 56.2454 30.1707 175.6437 19 Y 4.5791 9.2714 124.5921 57.7127 40.0998 177.4149 20 G 4.3527 7.3131 108.7290 46.4825 0.0000 171.7235 21 T 5.3404 8.4974 119.2637 62.1489 72.6427 174.1889 22 C 4.9601 9.5982 122.4485 55.5363 43.1473 172.8358 23 I 5.1410 8.3160 122.6576 59.9367 38.9775 174.8477 24 Y 4.6567 9.3061 128.5146 57.3624 41.5771 174.7167 25 Q 3.0472 9.3952 126.5053 57.0512 26.3492 174.6414 26 G 3.9553 8.5684 102.6340 45.7824 0.0000 174.0476 27 R 4.7186 8.0754 118.0522 54.0314 33.2847 174.3954 28 L 5.3631 8.1073 119.3772 53.5196 43.5747 176.0316 29 W 5.2515 9.2970 121.0352 54.5826 34.2070 174.3551 30 A 4.5243 9.0824 124.4920 52.1125 19.3293 176.3767 31 F 5.2032 9.2400 125.4436 57.3237 40.9848 173.8687 32 C 5.5063 9.0039 123.9455 55.3064 43.7833 173.7224 33 C 4.3943 8.9326 119.5721 57.1398 41.5562 173.9443 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 C 8.33 4.30 0.00 2.94 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 2 G 8.32 3.64 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 0.00 0.00 0.00 3 G 8.99 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.15 4.77 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 5 C 8.42 5.07 0.00 2.81 2.38 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 0.00 *6 Y 8.57 4.73 0.00 1.94 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 0.00 0.00 0.00 0.00 7 C 8.63 5.72 0.00 2.25 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 8 R 9.39 5.22 0.00 1.43 1.71 0.00 3.21 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 9 I 8.74 4.83 1.59 0.00 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.58 0.72 0.00 0.00 10 P 0.00 4.53 0.00 2.16 2.13 0.00 3.79 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 1.92 1.93 0.00 11 A 7.39 4.61 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.41 4.64 0.00 2.99 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.09 3.96 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.00 0.91 0.00 0.00 14 A 8.50 4.06 1.25 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 0.00 0.00 0.00 15 G 9.31 3.97 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 0.00 0.00 0.00 16 E 7.91 4.72 0.00 1.74 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 2.18 2.14 0.00 17 R 8.21 4.68 0.00 1.58 1.50 0.00 3.20 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 18 R 8.49 4.76 0.00 1.84 1.83 0.00 3.27 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 19 Y 9.27 4.58 0.00 2.91 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 20 G 7.31 4.35 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 0.00 21 T 8.50 5.34 4.31 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 1.37 0.00 0.00 22 C 9.60 4.96 0.00 2.97 2.98 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 23 I 8.32 5.14 1.93 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 1.31 0.66 0.98 0.00 0.00 24 Y 9.31 4.66 0.00 2.72 2.35 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 25 Q 9.40 3.05 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.90 0.00 0.00 0.00 0.00 0.00 1.16 1.50 0.00 26 G 8.57 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.08 4.72 0.00 2.26 1.46 0.00 3.22 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.51 0.00 28 L 8.11 5.36 0.00 1.51 1.63 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 W 9.30 5.25 0.00 3.29 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.08 4.52 1.38 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 0.00 0.00 0.00 31 F 9.24 5.20 0.00 3.19 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 9.00 5.51 0.00 2.75 2.87 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 33 C 8.93 4.39 0.00 2.26 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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.