NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0311 8.2085 108.0114 46.4059 0.0000 172.4182 2 A 4.6240 8.1364 122.3564 49.3018 22.9430 174.0927 3 Q 4.2038 8.4677 121.2238 55.2119 30.4688 173.0901 4 V 4.6657 8.3353 127.2237 61.8870 32.9295 175.1070 5 S 5.0346 8.2657 120.9913 57.0016 66.7580 173.2022 6 R 4.8932 8.1656 119.0518 55.1979 33.8939 175.2423 7 Q 4.2907 8.5044 119.6171 57.2134 32.0480 173.4675 *23 S 4.1156 7.9153 110.7946 58.6669 63.0985 173.1841 24 I 4.3600 7.9059 126.3749 59.1575 38.5543 173.1145 25 N 5.2325 8.2088 123.6487 52.4303 38.1605 174.8057 26 Y 4.5801 8.2681 124.8539 55.8563 39.2768 172.8734 27 F 4.5980 8.0013 121.3061 57.1085 38.5898 174.2780 28 N 4.3002 8.1317 124.8553 51.9483 37.4921 173.6360 29 I 3.6596 7.5533 122.7549 60.5061 38.6092 175.1794 30 N 4.6282 7.9239 123.9329 51.9067 39.8060 173.8051 31 Y 4.0994 8.3478 124.2768 59.5194 38.3492 176.0721 32 F 5.0027 7.7771 116.6629 55.5137 42.0900 174.8790 33 K 4.4827 8.7353 119.7193 56.6521 32.1955 176.6717 34 D 5.0005 7.7784 118.7074 52.0884 44.2228 176.8337 35 A 4.0223 8.6288 124.9429 55.1578 18.6884 179.8377 36 A 4.0708 7.9307 117.5682 55.0418 18.6600 178.9067 37 S 4.2277 7.7117 111.5013 61.1497 63.0788 175.1708 38 S 4.4491 7.6267 114.4878 57.5718 63.5073 174.5975 39 G 3.8672 8.2903 109.6337 44.4908 0.0000 172.9523 40 A 4.0281 8.5322 121.2913 52.7439 18.6186 178.0511 41 S 4.4678 8.3142 116.6691 57.9996 63.8254 174.5859 42 R 4.1891 8.2026 120.8067 56.1180 30.5265 176.5635 43 L 4.3498 8.1012 120.3399 53.9691 43.5284 176.5674 44 D 4.7368 8.5077 117.9022 55.0582 42.0601 173.0983 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 G 8.21 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 2 A 8.14 4.62 1.10 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 0.00 0.00 3 Q 8.47 4.20 0.00 2.13 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 4 V 8.34 4.67 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 1.20 0.00 0.00 1.08 0.00 0.00 5 S 8.27 5.03 0.00 3.82 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.17 4.89 0.00 1.64 1.77 0.00 3.31 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.60 0.00 7 Q 8.50 4.29 0.00 1.94 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.49 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 *23 S 7.92 4.12 0.00 3.89 3.79 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 24 I 7.91 4.36 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.99 0.87 0.00 0.00 25 N 8.21 5.23 0.00 1.76 2.24 0.00 0.00 7.06 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.27 4.58 0.00 2.89 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 27 F 8.00 4.60 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 28 N 8.13 4.30 0.00 1.64 2.32 0.00 0.00 7.03 7.20 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 29 I 7.55 3.66 0.92 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.78 0.38 0.00 0.00 30 N 7.92 4.63 0.00 2.50 2.72 0.00 0.00 7.19 7.64 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 31 Y 8.35 4.10 0.00 2.39 2.32 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 32 F 7.78 5.00 0.00 3.06 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.74 4.48 0.00 1.81 1.87 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.51 7.81 34 D 7.78 5.00 0.00 2.76 2.52 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 35 A 8.63 4.02 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 36 A 7.93 4.07 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 37 S 7.71 4.23 0.00 4.23 4.08 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 0.00 0.00 0.00 38 S 7.63 4.45 0.00 3.98 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 39 G 8.29 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 0.00 0.00 0.00 40 A 8.53 4.03 1.28 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 0.00 0.00 0.00 41 S 8.31 4.47 0.00 3.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.20 4.19 0.00 1.82 1.87 0.00 3.24 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 43 L 8.10 4.35 0.00 1.63 1.62 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.51 4.74 0.00 2.80 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 * Residues marked with a * may have inaccurate shift predictions.