NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9303 8.3549 109.7366 45.2098 0.0000 174.5913 3 K 3.9681 8.4447 117.9829 54.6926 33.9278 171.2509 4 V 4.4849 8.6166 121.9189 61.4182 35.5527 173.5263 5 Y 4.9995 8.8611 124.3623 56.1468 40.8693 174.7136 6 K 4.5061 8.1958 122.5929 54.5044 35.2605 174.7771 7 K 4.9950 8.4652 124.9230 54.6267 34.5954 175.7145 8 V 4.4505 8.5726 123.4016 61.0612 35.0768 173.7214 9 E 4.9741 8.9039 128.6429 55.1848 30.2587 174.8140 10 L 4.8560 8.9923 127.1696 52.8558 45.8137 176.0699 11 V 4.6042 8.2742 120.0914 61.1825 33.5105 174.8965 12 G 4.5355 9.0124 116.6539 45.0641 0.0000 171.6272 13 T 5.3631 8.2321 113.7934 60.1866 71.9857 173.0847 14 S 4.6811 8.8133 115.7900 57.8590 65.8603 175.2082 15 E 4.6756 9.0140 124.2638 57.9073 30.1055 177.7470 16 E 4.1973 8.2884 118.4439 57.7264 30.1979 176.3436 17 G 3.4022 7.1713 104.7886 44.0679 0.0000 173.6632 18 L 3.7576 7.3065 118.1674 57.8464 41.4909 179.4694 19 E 3.9126 8.0440 117.7746 59.4582 29.4299 179.2141 20 A 3.9443 7.8893 120.0093 54.8916 18.5059 179.4361 21 A 3.9399 7.8393 119.3547 55.3036 18.4694 179.9277 22 I 3.4957 7.6816 118.2969 64.7088 37.1220 178.7881 23 Q 3.9141 8.1862 118.6078 58.5913 28.5435 178.7287 24 A 3.9064 8.0595 121.7396 55.0631 18.4762 179.5134 25 A 3.8889 7.8118 118.7090 55.4388 18.5475 179.7812 26 L 3.8971 7.8538 117.2367 57.6292 41.3941 179.5854 27 A 3.9763 7.9634 120.4576 54.9694 18.0885 179.3646 28 R 3.9341 7.9239 116.7180 59.3148 30.1802 178.4783 29 A 3.8917 7.9917 120.6773 55.2064 16.9917 179.6148 30 R 3.9842 7.9806 117.0201 59.3260 29.8412 178.8797 31 K 4.2403 7.6072 117.0121 58.7439 32.0074 177.8363 32 T 4.4003 7.2282 113.5243 63.4396 71.0180 174.1624 33 L 4.4698 8.0020 120.0846 52.7812 43.5995 175.9304 34 R 4.5086 7.9096 119.9220 55.5419 33.0442 174.9420 35 H 4.1790 8.4646 113.4202 56.8219 26.1174 175.2280 36 L 4.5190 8.1278 118.7869 55.4281 42.1735 175.6195 37 D 5.2077 9.2490 122.4119 55.1813 42.9969 176.2493 38 W 5.5692 7.8540 113.4290 54.9599 32.0851 172.9399 39 F 5.4487 8.4955 114.2384 55.3463 41.2235 173.8792 40 E 4.6929 9.3555 118.7498 54.7044 33.3931 175.0034 41 V 4.2450 8.7178 125.4753 63.0419 31.6917 175.4984 42 K 4.5142 9.2194 128.5719 58.4658 33.1038 176.7588 43 E 4.7914 7.8617 115.0975 55.3785 32.9463 174.0504 44 I 4.8613 8.3648 121.3377 60.0086 39.5873 174.9190 45 R 4.7541 9.3658 126.5835 55.1796 34.6674 174.1576 46 G 4.2586 7.8317 106.5372 47.2878 0.0000 172.0604 47 T 4.7994 7.7878 109.7627 59.8681 71.9323 173.4160 48 I 4.7875 8.2503 122.5110 59.7983 39.7150 175.4222 49 G 4.3285 8.8458 116.3321 43.9352 0.0000 172.5222 50 E 3.8357 8.9564 118.5377 58.6269 29.7577 178.2688 51 A 4.6690 8.0045 119.5946 51.8176 20.5926 176.5229 52 G 4.0087 7.3856 108.0064 45.2415 0.0000 176.7404 53 V 3.7878 8.2311 124.4850 62.9429 31.8004 174.4607 54 K 4.3349 8.5699 128.1172 57.5906 33.6525 176.0427 55 E 4.7236 7.5557 119.9106 54.6223 33.0762 173.6392 56 Y 4.5987 9.3528 125.5226 57.8181 39.7953 174.8379 57 Q 4.8598 9.3665 122.2981 54.3543 32.4561 174.5737 58 V 4.6024 8.7346 126.3462 61.1584 33.0457 175.0247 59 V 4.3606 8.6477 129.7561 62.6178 32.8063 174.6523 60 L 5.1993 9.0457 129.0736 53.6319 45.9916 174.2013 61 E 5.0703 9.5378 125.8056 54.7129 32.0960 174.8937 62 V 4.5088 8.9184 124.9569 60.9917 34.1590 174.2148 63 G 3.2260 8.1330 116.0892 43.9742 0.0000 172.3161 64 F 5.6378 8.3924 118.8397 54.8672 41.9466 173.7519 65 R 4.0874 8.8722 121.8533 56.0969 30.4909 176.0743 66 L 4.3765 8.2913 127.1263 54.5381 42.3334 177.1261 67 E 4.0043 8.7742 122.5124 56.6482 30.3767 172.9206 68 E 3.4063 8.5734 129.5286 56.7445 27.5221 174.9703 *69 T 4.1630 8.2531 116.5471 60.8829 69.2274 171.5446 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 2 G 8.35 3.93 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 0.00 0.00 0.00 3 K 8.44 3.97 0.00 1.79 1.40 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.50 7.81 4 V 8.62 4.48 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.91 0.00 0.00 5 Y 8.86 5.00 0.00 3.00 3.03 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 6 K 8.20 4.51 0.00 1.46 0.74 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.17 1.27 7.81 7 K 8.47 4.99 0.00 1.65 1.65 0.00 2.07 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.13 1.36 7.81 8 V 8.57 4.45 2.26 0.00 0.00 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 1.09 0.00 0.00 9 E 8.90 4.97 0.00 2.03 1.86 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 2.24 2.46 0.00 10 L 8.99 4.86 0.00 1.55 1.49 0.87 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.27 4.60 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 0.85 0.00 0.00 0.94 0.00 0.00 12 G 9.01 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.23 5.36 4.36 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 1.22 0.00 0.00 14 S 8.81 4.68 0.00 3.91 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 15 E 9.01 4.68 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 16 E 8.29 4.20 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 17 G 7.17 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.31 3.76 0.00 1.54 1.63 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.04 3.91 0.00 1.99 1.96 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 2.38 2.43 0.00 20 A 7.89 3.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 3.94 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.68 3.50 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.56 0.40 0.00 0.00 23 Q 8.19 3.91 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 24 A 8.06 3.91 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 A 7.81 3.89 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 26 L 7.85 3.90 0.00 1.60 1.63 0.55 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.96 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.92 3.93 0.00 1.93 2.03 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 7.99 3.89 1.27 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 0.00 0.00 0.00 30 R 7.98 3.98 0.00 1.93 2.05 0.00 3.08 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 31 K 7.61 4.24 0.00 1.92 1.82 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.63 7.81 32 T 7.23 4.40 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 33 L 8.00 4.47 0.00 1.27 0.79 0.31 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.91 4.51 0.00 1.67 1.48 0.00 3.28 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 35 H 8.46 4.18 0.00 3.65 3.50 0.00 5.62 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.13 4.52 0.00 1.66 1.66 0.85 0.93 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 37 D 9.25 5.21 0.00 3.10 3.08 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 W 7.85 5.57 0.00 3.27 3.20 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 0.00 0.00 0.00 0.00 39 F 8.50 5.45 0.00 3.01 2.91 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 40 E 9.36 4.69 0.00 1.97 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 2.43 2.52 0.00 41 V 8.72 4.24 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 0.83 0.00 0.00 1.13 0.00 0.00 42 K 9.22 4.51 0.00 1.79 1.87 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.56 7.81 43 E 7.86 4.79 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 44 I 8.36 4.86 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 1.00 0.00 0.00 45 R 9.37 4.75 0.00 1.69 1.82 0.00 3.41 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 46 G 7.83 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 4.80 4.20 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 0.00 0.00 0.00 1.18 0.00 0.00 48 I 8.25 4.79 1.84 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 1.22 0.64 0.88 0.00 0.00 49 G 8.85 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.96 3.84 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 51 A 8.00 4.67 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.39 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.23 3.79 1.82 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 -0.41 0.00 0.00 0.72 0.00 0.00 54 K 8.57 4.33 0.00 1.82 1.81 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.32 7.81 55 E 7.56 4.72 0.00 2.12 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.28 0.00 56 Y 9.35 4.60 0.00 3.09 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 9.37 4.86 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 58 V 8.73 4.60 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 0.94 0.00 0.00 0.96 0.00 0.00 59 V 8.65 4.36 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 0.91 0.00 0.00 0.95 0.00 0.00 60 L 9.05 5.20 0.00 1.90 1.52 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.54 5.07 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 62 V 8.92 4.51 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 0.95 0.00 0.00 0.89 0.00 0.00 63 G 8.13 3.23 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 0.00 0.00 0.00 0.00 64 F 8.39 5.64 0.00 3.35 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.87 4.09 0.00 1.94 1.89 0.00 3.03 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.89 0.00 66 L 8.29 4.38 0.00 1.60 1.55 0.86 1.02 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 67 E 8.77 4.00 0.00 2.00 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 2.37 2.41 0.00 68 E 8.57 3.41 0.00 2.11 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 2.17 2.29 0.00 *69 T 8.25 4.16 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 * Residues marked with a * may have inaccurate shift predictions.