NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1748 8.1127 119.7062 56.0682 31.6322 177.0459 *3 K 4.2411 8.7188 127.7499 57.5478 33.4986 176.0397 4 Q 4.4726 7.6764 116.7283 56.5840 28.9271 178.0766 *6 E 4.2563 8.3608 118.0385 56.7604 31.6644 177.5245 7 D 4.4679 8.4308 118.6211 57.4428 40.9026 179.9132 8 K 4.3339 7.9167 118.2476 56.6597 31.6599 177.6122 *10 E 4.3785 8.3709 118.1535 56.1052 31.4031 178.1545 11 E 4.2818 8.1985 116.7700 56.7944 29.1558 177.9861 *13 L 3.8691 8.0066 119.2574 54.5600 43.8209 177.9471 14 S 4.3955 8.1420 113.1555 61.0960 62.4622 174.7311 15 K 4.2012 7.7709 118.7903 57.2696 32.3501 178.1134 *17 Y 5.0338 8.0163 116.6916 58.7652 39.7352 178.7095 18 H 4.5942 8.1576 117.2875 56.7329 29.3770 177.0027 *20 E 4.3025 8.3204 117.4667 56.0943 31.3004 177.2413 21 N 4.5202 8.6529 116.2818 56.4752 38.6487 176.6283 22 E 4.3261 8.1411 116.2229 56.9104 29.5518 178.1959 *24 A 4.4008 8.0844 121.7806 52.6100 20.5250 181.6438 25 R 4.1836 8.0236 112.1988 56.6702 29.5182 179.1017 *27 K 4.1533 8.1821 120.0772 56.4486 33.8073 176.8758 28 K 4.0955 8.3130 118.6215 59.4535 32.3652 178.2008 29 L 4.1732 7.8815 120.8817 55.4180 41.5358 177.9710 *31 G 3.9090 8.1171 103.8093 44.4584 0.0000 173.4905 32 E 4.2530 8.1809 124.8093 56.3284 30.1681 175.6358 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 4.17 0.00 1.86 1.16 0.00 3.28 0.00 0.00 3.33 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.57 0.00 *3 K 8.72 4.24 0.00 1.85 1.84 0.00 1.60 0.00 0.00 1.82 0.00 0.00 3.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.53 7.81 4 Q 7.68 4.47 0.00 2.38 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.17 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 *6 E 8.36 4.26 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 7 D 8.43 4.47 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 4.33 0.00 1.79 1.79 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 *10 E 8.37 4.38 0.00 2.28 2.03 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 2.32 2.31 0.00 11 E 8.20 4.28 0.00 2.04 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 0.00 2.30 2.24 0.00 *13 L 8.01 3.87 0.00 1.57 1.72 0.71 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.14 4.40 0.00 3.97 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 4.20 0.00 1.79 1.82 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.57 7.81 *17 Y 8.02 5.03 0.00 3.23 2.93 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 18 H 8.16 4.59 0.00 3.34 3.46 0.00 5.81 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 8.32 4.30 0.00 2.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 21 N 8.65 4.52 0.00 2.92 2.89 0.00 0.00 7.22 7.72 0.00 0.00 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 E 8.14 4.33 0.00 1.85 1.91 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 2.23 2.20 0.00 *24 A 8.08 4.40 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 25 R 8.02 4.18 0.00 2.15 1.95 0.00 3.16 0.00 0.00 3.10 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 *27 K 8.18 4.15 0.00 1.74 2.06 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 28 K 8.31 4.10 0.00 1.80 2.01 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.38 7.81 29 L 7.88 4.17 0.00 1.86 1.60 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 *31 G 8.12 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 0.00 0.00 0.00 32 E 8.18 4.25 0.00 2.10 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.