NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.2157 8.1733 122.1393 54.5322 33.9805 177.4088 *5 Q 4.1812 8.0560 121.4960 56.6866 30.8090 177.6079 6 K 3.9107 8.0646 118.2368 59.8605 32.1705 178.8426 7 T 4.0148 8.2655 110.3884 64.6053 68.6171 176.7331 8 G 3.5643 7.8924 108.1355 48.0011 0.0000 175.2007 9 H 4.3090 8.4160 118.6284 58.4432 28.7065 177.8063 10 A 3.9803 7.7420 122.7248 55.1903 18.2675 179.8568 11 V 3.5444 7.9738 116.8844 66.3011 31.6229 178.5221 12 R 3.9665 8.5103 118.0353 58.9145 29.8388 178.8391 13 A 3.9865 8.3614 121.0846 55.2782 18.4342 179.7334 14 I 3.7580 7.7861 118.3374 64.4504 37.0971 178.9338 15 G 3.6144 8.1133 106.5706 47.8699 0.0000 175.7412 16 R 3.9449 8.3080 120.5509 59.1157 30.1589 178.3624 17 L 4.1525 7.9234 118.0227 57.6704 41.6555 179.3001 18 S 4.3077 7.9130 114.5041 60.5571 64.1151 175.9402 19 S 4.5292 7.3544 119.4573 57.1445 59.3462 174.3977 20 S 4.2990 7.7568 120.6102 58.8548 62.6059 174.8667 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 3 K 8.17 4.22 0.00 1.70 1.85 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 *5 Q 8.06 4.18 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 6 K 8.06 3.91 0.00 1.82 1.91 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.52 7.81 7 T 8.27 4.01 4.23 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 1.23 0.00 0.00 8 G 7.89 3.56 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 0.00 0.00 0.00 9 H 8.42 4.31 0.00 3.35 3.33 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.74 3.98 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 11 V 7.97 3.54 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 1.02 0.00 0.00 0.99 0.00 0.00 12 R 8.51 3.97 0.00 2.04 1.98 0.00 3.21 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 13 A 8.36 3.99 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 14 I 7.79 3.76 2.03 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 1.46 0.99 0.91 0.00 0.00 15 G 8.11 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.31 3.94 0.00 1.91 2.10 0.00 3.27 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 17 L 7.92 4.15 0.00 1.84 1.72 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.91 4.31 0.00 4.03 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 19 S 7.35 4.53 0.00 3.94 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 20 S 7.76 4.30 0.00 3.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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.