NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5149 8.3049 120.3265 55.2596 33.4358 174.7153 2 K 4.3618 8.1198 120.7688 53.2762 36.2177 173.8448 3 D 4.5177 8.7852 123.7112 52.8306 40.9696 175.8554 4 T 4.0867 8.4401 119.3321 61.6420 68.1461 173.5733 5 G 4.1964 8.3115 115.7607 43.8613 0.0000 171.5434 6 I 4.5276 7.9364 115.6005 60.4246 40.7557 175.2300 7 Q 4.6763 7.8361 114.5766 55.6301 29.1692 173.7180 8 V 3.5269 7.6537 123.9030 64.1357 32.8313 176.0233 *9 D 4.6937 8.4752 122.2938 52.6651 41.5275 173.3943 10 R 4.6710 8.0009 116.0624 54.5613 32.6246 175.7834 11 D 4.6914 8.5885 123.7768 53.0177 40.2574 176.2625 12 L 4.0874 7.6323 122.3543 57.9693 42.4511 178.2585 13 D 4.8549 7.2694 115.7386 52.7833 45.8267 174.9262 14 G 4.1210 7.9079 113.1619 46.0677 0.0000 175.6727 15 K 3.8198 9.0082 121.4641 59.6311 32.1839 178.6059 16 S 4.1149 7.9075 112.9970 59.5606 63.0765 170.8853 17 H 4.2800 7.9805 123.9900 55.2091 29.3590 174.9766 18 K 4.1229 8.2399 121.1011 57.0999 33.3126 175.4716 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 M 8.30 4.51 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 K 8.12 4.36 0.00 1.77 1.66 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.43 7.81 3 D 8.79 4.52 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.44 4.09 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 5 G 8.31 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.94 4.53 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 0.48 0.91 0.00 0.00 7 Q 7.84 4.68 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.96 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 8 V 7.65 3.53 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 0.86 0.00 0.00 0.93 0.00 0.00 *9 D 8.48 4.69 0.00 2.48 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.00 4.67 0.00 1.85 1.88 0.00 3.00 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 11 D 8.59 4.69 0.00 2.66 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 12 L 7.63 4.09 0.00 1.70 1.77 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.27 4.85 0.00 2.60 2.55 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 14 G 7.91 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.01 3.82 0.00 1.71 1.84 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 16 S 7.91 4.11 0.00 3.84 3.91 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 17 H 7.98 4.28 0.00 3.46 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.24 4.12 0.00 1.95 1.65 0.00 1.88 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.