NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 S 4.3474 8.4345 115.2886 56.7410 63.5593 174.6523 24 T 4.8182 7.1432 123.7136 60.9122 71.2188 174.6163 25 I 3.6549 7.8402 125.7426 62.9292 37.5672 176.1690 26 N 4.6110 8.5706 125.4660 51.5502 37.8017 173.2531 *27 Y 4.4869 8.1203 122.5465 54.5242 38.7108 170.8917 28 N 4.7890 8.2806 115.4877 53.0233 38.9865 174.6488 29 N 3.8261 8.4437 122.3751 52.6195 38.9905 175.8480 30 I 2.7887 7.0217 122.5235 62.3245 36.2550 173.2125 31 N 4.7289 8.0772 129.1948 51.9255 40.7545 173.6287 32 Y 4.2485 8.3016 122.0664 58.7776 38.3395 174.5957 33 Y 4.8488 7.5200 117.6407 55.8437 40.6805 176.1537 34 S 4.2931 8.8031 115.9713 61.3520 63.6744 174.5030 35 H 4.5183 8.0767 119.8139 54.5520 31.0016 175.6410 36 A 4.0071 8.3270 127.5536 55.0359 18.5866 179.8104 37 A 4.1207 8.3630 117.9744 55.3834 18.6389 178.9844 38 S 4.1153 7.8389 111.4485 61.2748 63.0710 175.1219 39 A 4.1151 7.5920 121.4911 51.7828 18.5753 176.9708 40 A 4.3765 8.1923 123.2430 51.1045 19.6632 177.4442 41 Q 4.1274 8.2898 116.5950 56.0807 29.1177 176.0142 42 N 4.4125 8.5946 118.3199 53.4412 38.6154 175.1965 43 K 4.1488 8.5580 124.5709 57.2023 32.8629 176.9262 44 Q 3.8463 7.7103 116.5040 56.4846 29.0771 174.8855 45 D 4.5005 8.1191 120.0631 52.4528 42.3638 175.3586 46 F 4.7606 8.1014 125.7884 56.1669 40.4040 175.7714 47 T 4.2046 8.4344 115.5701 61.1189 69.5197 174.5710 48 Q 4.2666 8.5110 123.3147 56.1828 28.3382 175.6571 49 D 4.6902 8.2524 118.4233 51.0911 41.8347 173.9642 50 P 4.6932 0.0000 0.0000 64.4967 31.5669 177.7139 51 S 4.4247 7.4448 114.9049 60.6484 62.2559 176.8463 52 K 3.7638 7.6250 120.7061 58.4033 31.7053 178.0026 53 F 4.8053 7.2265 116.3004 59.0470 40.2322 177.5793 54 T 4.2554 8.5205 109.7542 63.3118 69.9693 174.8994 55 Q 4.7802 7.8490 118.6233 54.1029 29.0817 174.1487 56 P 4.6208 0.0000 0.0000 62.9388 31.9629 177.1042 57 I 3.9857 7.1601 112.4898 60.7190 38.4115 176.0888 58 A 4.0623 8.5402 126.0206 55.6732 18.6634 179.0148 59 D 4.6043 7.6260 117.0095 52.3813 39.3861 175.2333 60 V 3.5736 7.9134 115.2485 62.3594 32.2118 176.5916 61 I 4.5884 8.3495 124.7746 58.4195 38.5778 172.7269 62 K 4.2961 8.4009 123.0612 54.5292 32.6181 176.0025 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 23 S 8.43 4.35 0.00 3.84 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.14 4.82 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 25 I 7.84 3.65 1.85 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 1.26 0.80 0.90 0.00 0.00 26 N 8.57 4.61 0.00 2.73 2.63 0.00 0.00 6.76 7.55 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 *27 Y 8.12 4.49 0.00 2.32 2.12 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 28 N 8.28 4.79 0.00 2.68 2.76 0.00 0.00 6.90 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.44 3.83 0.00 2.65 2.68 0.00 0.00 7.28 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.02 2.79 1.73 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.29 0.79 0.00 0.00 31 N 8.08 4.73 0.00 2.62 2.61 0.00 0.00 7.27 7.54 0.00 0.00 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 Y 8.30 4.25 0.00 2.35 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 7.52 4.85 0.00 2.99 2.92 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 34 S 8.80 4.29 0.00 4.03 4.05 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 H 8.08 4.52 0.00 3.22 3.21 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.33 4.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.36 4.12 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.84 4.12 0.00 4.08 3.90 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 0.00 0.00 0.00 39 A 7.59 4.12 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.19 4.38 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.29 4.13 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 42 N 8.59 4.41 0.00 2.80 2.86 0.00 0.00 6.93 7.61 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 43 K 8.56 4.15 0.00 1.67 1.78 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.45 7.81 44 Q 7.71 3.85 0.00 1.74 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.54 0.00 0.00 0.00 0.00 0.00 2.18 1.78 0.00 45 D 8.12 4.50 0.00 2.51 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.10 4.76 0.00 3.12 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 47 T 8.43 4.20 4.28 0.00 0.00 0.00 0.00 0.00 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 48 Q 8.51 4.27 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.15 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 49 D 8.25 4.69 0.00 2.72 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.69 0.00 2.27 2.20 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 51 S 7.44 4.42 0.00 4.13 4.13 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 52 K 7.63 3.76 0.00 0.79 1.38 0.00 1.21 0.00 0.00 1.45 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.16 1.27 7.81 53 F 7.23 4.81 0.00 3.03 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.52 4.26 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 55 Q 7.85 4.78 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 7.05 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 56 P 0.00 4.62 0.00 2.17 2.31 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 57 I 7.16 3.99 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 1.23 0.59 0.91 0.00 0.00 58 A 8.54 4.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 7.63 4.60 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.91 3.57 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.92 0.00 0.00 61 I 8.35 4.59 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 1.27 0.75 0.91 0.00 0.00 62 K 8.40 4.30 0.00 1.71 1.53 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.24 0.96 7.81 * Residues marked with a * may have inaccurate shift predictions.