NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2444 8.1133 119.0726 56.7353 30.5599 174.8121 2 R 4.4444 8.6109 121.4000 54.7001 27.9689 177.0027 3 K 4.0012 8.2083 116.0724 57.6150 32.8723 178.6169 *5 Q 4.1858 8.1928 120.1459 56.0006 30.8720 177.7767 6 K 3.9165 8.1780 117.4743 59.7574 32.0065 179.5436 7 T 4.0280 8.0970 110.1150 64.6012 68.5411 176.7912 8 G 3.5718 7.8798 108.1465 47.9028 0.0000 175.1858 9 H 4.2594 8.2855 118.6273 58.6172 28.8645 177.7342 10 A 3.9933 7.8623 122.0748 55.1672 18.3067 179.8834 11 V 3.5551 7.9959 116.8049 66.2973 31.5801 178.5542 12 R 3.9655 8.3879 117.8389 58.9120 29.8229 178.8849 13 A 3.9882 8.1125 120.8543 55.3326 18.4276 179.6866 14 I 3.7692 7.7221 117.9679 64.3464 36.9838 178.9281 15 G 3.5934 7.9351 106.2778 47.9648 0.0000 175.8623 16 R 3.9586 8.0805 120.0559 59.0281 30.1691 178.9787 17 L 4.1533 7.8901 117.5558 57.6736 41.6840 179.3139 18 S 4.2869 7.9513 113.9898 60.2765 62.8798 174.7419 19 S 4.4732 7.5402 120.3411 58.3210 62.3194 173.2276 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 R 8.11 4.24 0.00 1.75 1.92 0.00 3.37 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 2 R 8.61 4.44 0.00 2.05 2.00 0.00 3.55 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 3 K 8.21 4.00 0.00 1.89 1.82 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 *5 Q 8.19 4.19 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 6 K 8.18 3.92 0.00 1.96 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.68 7.81 7 T 8.10 4.03 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 1.27 0.00 0.00 8 G 7.88 3.57 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 9 H 8.29 4.26 0.00 3.33 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 7.86 3.99 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 11 V 8.00 3.56 2.21 0.00 0.00 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 0.98 0.00 0.00 12 R 8.39 3.97 0.00 2.05 1.98 0.00 3.20 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 13 A 8.11 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 3.77 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 0.81 0.91 0.00 0.00 15 G 7.94 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 3.96 0.00 1.91 2.01 0.00 3.17 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.90 0.00 17 L 7.89 4.15 0.00 1.77 1.73 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.95 4.29 0.00 3.99 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 7.54 4.47 0.00 3.80 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.