NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5858 8.2233 120.5242 54.0069 42.6662 176.3314 2 E 3.7992 8.4136 120.3900 58.8010 29.5666 178.4783 3 C 4.2423 8.6261 119.9627 59.6436 43.9439 175.0725 4 A 3.9052 7.8950 121.6215 55.2248 18.0705 178.6897 5 N 4.1448 8.1937 115.1806 56.8405 38.8188 176.5421 6 A 3.8872 8.5386 122.0334 55.2536 18.3684 179.4387 7 A 3.8895 7.8697 118.4930 55.3958 18.3020 179.7729 8 A 3.9064 8.0491 117.9889 54.8428 18.4849 178.7044 9 Q 4.0922 8.1515 116.1363 55.6138 30.1062 174.4089 10 C 4.0974 8.1625 115.6434 58.7781 37.4985 174.0954 11 S 4.1518 7.4361 112.4148 55.6419 65.5000 173.3472 12 I 3.6903 8.2915 129.8490 64.7385 36.7575 178.5650 13 T 3.9248 7.6489 115.5149 66.3038 68.6571 176.4766 14 L 4.0974 7.8596 121.0868 57.7554 41.6021 178.2743 15 C 4.0923 8.2739 116.7809 60.6156 38.4885 176.1860 16 N 4.0663 8.5641 117.8186 56.0419 37.8518 177.2095 17 L 3.9505 7.4413 121.3489 57.8774 41.4758 177.1467 18 Y 4.9976 7.5176 109.1126 57.8342 41.8319 176.1761 19 C 4.5283 8.9533 118.3064 57.6883 42.7745 175.3965 20 G 3.7050 7.3447 108.9343 45.5122 0.0000 173.7525 21 P 4.2266 0.0000 0.0000 65.7171 30.7960 177.3698 22 L 4.1845 7.8555 116.9501 55.8799 41.4162 178.8426 23 I 3.7005 7.8238 121.2622 64.8333 37.0598 177.2966 24 E 3.9093 8.1925 119.7118 59.3601 29.5640 178.7640 25 I 3.8754 7.7695 119.3064 64.4907 37.0972 178.8576 26 C 4.1927 8.6197 119.7389 59.7040 40.0409 175.1533 27 E 3.8415 8.7313 121.1669 59.0586 29.1403 178.4347 28 L 3.8992 8.4069 120.6285 58.5635 42.1025 179.0937 29 T 3.8353 8.2711 115.8828 66.7164 68.3430 176.6926 30 V 3.5608 8.1236 120.4895 66.1627 31.2410 177.5964 31 M 4.0727 8.3207 117.2331 58.7081 32.1595 177.5117 32 Q 4.1133 8.1228 118.9137 59.1285 29.3191 177.5271 33 N 4.7269 8.3080 115.9562 53.8914 38.3051 173.5189 34 C 5.0024 8.3675 116.6797 55.9136 44.8231 174.2196 35 E 4.5323 8.3420 119.7729 54.2659 28.2916 174.3692 36 P 4.6825 0.0000 0.0000 61.2077 32.7961 175.3162 37 P 4.4682 0.0000 0.0000 62.0180 32.0722 176.1167 38 F 4.1681 8.9069 126.6963 59.3718 39.9209 175.5846 *39 S 4.1008 8.2202 121.6318 58.3083 62.7603 172.7811 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 D 8.22 4.59 0.00 2.77 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.41 3.80 0.00 1.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.90 0.00 3 C 8.63 4.24 0.00 3.03 3.10 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 4 A 7.90 3.91 1.31 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 0.00 0.00 0.00 5 N 8.19 4.14 0.00 2.85 3.07 0.00 0.00 7.19 7.84 0.00 0.00 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 A 8.54 3.89 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 7 A 7.87 3.89 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.05 3.91 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.15 4.09 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 10 C 8.16 4.10 0.00 3.19 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 11 S 7.44 4.15 0.00 2.72 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 12 I 8.29 3.69 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.85 0.91 0.00 0.00 13 T 7.65 3.92 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 14 L 7.86 4.10 0.00 1.51 1.64 0.77 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 15 C 8.27 4.09 0.00 3.10 3.12 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 16 N 8.56 4.07 0.00 2.66 2.83 0.00 0.00 6.76 6.73 0.00 0.00 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 L 7.44 3.95 0.00 1.78 1.61 0.13 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.52 5.00 0.00 2.99 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.95 4.53 0.00 3.09 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 7.34 3.71 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 0.00 0.00 0.00 21 P 0.00 4.23 0.00 2.27 2.33 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 22 L 7.86 4.18 0.00 1.80 1.75 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.82 3.70 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.69 0.94 0.00 0.00 24 E 8.19 3.91 0.00 2.03 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 2.30 2.49 0.00 25 I 7.77 3.88 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 1.52 0.66 0.91 0.00 0.00 26 C 8.62 4.19 0.00 3.09 3.25 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 27 E 8.73 3.84 0.00 2.06 1.93 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 2.31 2.32 0.00 28 L 8.41 3.90 0.00 1.89 1.65 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.27 3.84 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 1.24 0.00 0.00 30 V 8.12 3.56 2.18 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 1.03 0.00 0.00 1.00 0.00 0.00 31 M 8.32 4.07 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 32 Q 8.12 4.11 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 33 N 8.31 4.73 0.00 2.90 2.93 0.00 0.00 6.85 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 8.37 5.00 0.00 3.12 3.05 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 0.00 0.00 0.00 35 E 8.34 4.53 0.00 1.95 1.90 0.00 0.00 0.00 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 2.21 0.00 36 P 0.00 4.68 0.00 2.20 2.08 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 37 P 0.00 4.47 0.00 2.26 2.13 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 38 F 8.91 4.17 0.00 2.95 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *39 S 8.22 4.10 0.00 3.50 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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.