NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9011 8.3544 109.7357 45.0869 0.0000 173.1710 2 S 3.9639 8.7275 113.2417 60.8308 61.9693 173.3660 3 H 4.3668 8.6326 124.3365 54.4178 29.9937 173.0233 4 M 2.9595 8.2743 116.1958 56.5900 28.8036 177.3632 5 M 4.2787 8.4679 125.8150 57.0226 32.7919 177.1987 6 T 4.7273 7.4705 108.0084 58.6706 73.3157 174.5745 7 A 3.9406 8.4667 123.8949 55.3061 18.4324 179.6830 8 L 3.8699 7.9434 118.2536 58.6423 41.8987 178.9401 9 E 4.0270 7.7116 116.9526 59.6309 29.5631 179.3515 10 T 3.9696 7.6313 115.6574 66.5401 68.3257 176.4171 11 R 3.8530 8.1108 120.8391 59.7402 29.8520 178.2278 12 L 4.3195 8.1846 116.6409 56.4532 41.7863 178.4468 13 S 4.3908 7.8301 113.1447 57.9868 63.7085 174.5440 14 V 3.6238 7.0171 121.9173 62.7691 31.4535 175.2546 15 A 3.7779 8.2543 129.1817 55.6603 18.2628 176.9890 16 D 4.6326 7.9408 115.6522 52.1587 40.1584 179.1637 17 G 4.0531 8.5852 113.7571 44.0723 0.0000 174.9778 18 T 3.8835 9.2357 120.3975 66.8025 68.5628 175.3938 19 H 4.1529 8.2059 118.9919 59.1598 29.9242 176.9116 20 A 3.8705 7.9811 121.8508 55.1132 18.3056 179.2594 21 A 3.8802 8.2893 119.3140 55.2219 18.4513 179.7245 22 A 3.9172 7.9730 119.2898 55.1637 18.4451 179.6535 23 L 3.8065 8.1697 119.2793 58.1980 42.0952 178.9777 24 R 3.8547 8.1620 118.9245 59.7034 29.8873 178.4628 25 Q 4.1290 8.1206 117.6341 59.0943 28.6955 179.0600 26 R 3.9250 7.9878 119.0926 59.0726 29.9861 179.1801 27 L 3.9691 8.0771 118.8264 57.9382 41.5911 179.5143 28 Q 3.9622 8.4076 118.1072 58.8345 28.6574 178.8075 29 A 3.9492 8.3433 121.8142 55.2499 18.4890 179.5956 30 A 3.9602 8.1110 119.2904 55.1808 18.3579 179.6548 31 L 3.9169 8.3744 119.1341 58.1044 42.0558 179.0723 32 A 3.9912 8.3622 121.2393 55.1235 18.2534 179.4824 33 E 3.9002 8.1876 117.1607 59.5565 29.5150 179.0823 34 C 4.0969 8.1219 118.7602 62.6861 31.6702 175.9692 35 R 3.9828 8.2251 119.7175 59.0898 29.6251 179.2857 36 R 3.9272 8.2748 118.2560 59.3357 29.8970 178.7567 37 E 4.0097 8.1827 117.8481 59.1403 29.9876 178.5280 38 L 4.1973 8.0886 119.0810 57.7321 41.4739 179.2872 39 A 4.1009 7.9891 119.7117 55.1442 18.3576 179.6210 40 R 4.0852 7.5913 115.3539 57.9168 30.1419 176.5232 41 G 3.4530 8.9056 110.2019 45.0886 0.0000 175.7677 42 A 3.3973 8.1079 119.6671 53.1102 17.0334 177.1756 *43 C 4.3709 8.3319 123.4282 59.1895 30.0454 171.3807 44 P 4.4884 0.0000 0.0000 67.0294 30.6788 178.4534 45 E 3.9466 8.1250 118.5787 59.2413 29.7605 178.6694 46 R 3.8502 7.9636 118.2658 59.1097 30.1714 178.0974 47 F 4.1071 8.4824 120.9801 61.2817 39.4248 176.9737 48 Q 3.9824 8.3487 119.2011 58.9312 28.7755 177.8839 49 F 4.0798 8.3017 121.7452 61.4711 39.5382 177.1566 50 L 4.0727 8.7000 118.9147 57.8873 41.2799 179.6295 51 Q 3.8181 7.9176 118.0157 58.9450 28.5478 178.7752 52 Q 3.8834 7.9198 119.1098 58.8459 28.7048 178.6143 53 Q 3.7708 8.1560 120.5321 59.0676 29.0395 178.1384 54 A 3.9627 8.3725 122.1766 55.3264 18.3354 179.8960 55 R 4.0355 8.2762 116.5332 59.0949 29.9767 179.1668 56 A 3.9504 8.1293 120.9177 55.0497 18.3599 179.7310 57 L 3.8951 7.9997 117.4989 58.0276 41.7499 179.5774 58 E 4.0656 8.6211 119.1118 59.2954 29.3237 179.7041 59 G 3.6933 8.5569 106.3923 47.6596 0.0000 175.9483 60 G 3.6631 8.2615 108.4669 47.6228 0.0000 175.7973 61 L 4.0975 8.1757 121.6524 57.3770 41.7344 179.9020 62 G 3.5759 8.2013 105.7495 47.7710 0.0000 175.9456 63 I 3.7235 8.1838 122.7939 63.9680 37.1626 178.1080 64 L 3.9314 8.1795 121.5139 58.3767 41.4480 179.2210 65 S 4.0923 8.1959 114.9411 61.7684 62.5748 176.5755 66 Q 3.9822 7.7490 120.5246 59.1000 28.8594 177.8970 67 L 4.1844 8.3039 119.9607 56.7466 41.7090 178.3713 68 T 4.4700 7.4777 107.1341 60.2731 69.6450 174.2398 69 E 4.1162 7.5449 122.8014 56.9558 30.5555 177.2337 70 D 4.5275 8.5764 119.6305 53.5095 40.0030 174.4368 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 8.35 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 0.00 0.00 0.00 2 S 8.73 3.96 0.00 3.93 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.63 4.37 0.00 3.14 3.22 0.00 5.85 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 8.27 2.96 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 5 M 8.47 4.28 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 6 T 7.47 4.73 4.23 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 1.26 0.00 0.00 7 A 8.47 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 8 L 7.94 3.87 0.00 1.77 1.69 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.71 4.03 0.00 2.07 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 2.34 2.35 0.00 10 T 7.63 3.97 4.38 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 1.20 0.00 0.00 11 R 8.11 3.85 0.00 2.03 1.99 0.00 2.97 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.60 0.00 12 L 8.18 4.32 0.00 1.77 1.72 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.83 4.39 0.00 4.01 4.07 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 0.00 0.00 0.00 0.00 14 V 7.02 3.62 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.98 0.00 0.00 15 A 8.25 3.78 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 16 D 7.94 4.63 0.00 2.84 2.84 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 0.00 0.00 0.00 0.00 17 G 8.59 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 0.00 0.00 0.00 18 T 9.24 3.88 4.34 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 1.23 0.00 0.00 19 H 8.21 4.15 0.00 3.24 3.31 0.00 5.87 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.98 3.87 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 21 A 8.29 3.88 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 22 A 7.97 3.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.17 3.81 0.00 1.57 1.69 0.90 0.70 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 24 R 8.16 3.85 0.00 1.93 2.12 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 25 Q 8.12 4.13 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 26 R 7.99 3.93 0.00 2.02 1.97 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 27 L 8.08 3.97 0.00 1.84 1.69 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.41 3.96 0.00 2.20 2.14 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 2.37 2.59 0.00 29 A 8.34 3.95 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 30 A 8.11 3.96 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 31 L 8.37 3.92 0.00 1.79 1.86 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.36 3.99 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 33 E 8.19 3.90 0.00 2.06 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 2.33 2.59 0.00 34 C 8.12 4.10 0.00 3.17 3.07 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 0.00 0.00 0.00 0.00 35 R 8.23 3.98 0.00 2.03 1.96 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 36 R 8.27 3.93 0.00 2.01 1.99 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 37 E 8.18 4.01 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 38 L 8.09 4.20 0.00 1.99 1.76 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.99 4.10 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.59 4.09 0.00 1.98 2.02 0.00 3.16 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 41 G 8.91 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.11 3.40 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.33 4.37 0.00 2.85 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 44 P 0.00 4.49 0.00 2.28 2.32 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 45 E 8.13 3.95 0.00 2.08 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 2.40 2.40 0.00 46 R 7.96 3.85 0.00 1.87 1.94 0.00 3.43 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 47 F 8.48 4.11 0.00 3.31 3.26 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 48 Q 8.35 3.98 0.00 2.40 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 49 F 8.30 4.08 0.00 3.22 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 50 L 8.70 4.07 0.00 1.71 1.66 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 7.92 3.82 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 1.67 1.18 0.00 52 Q 7.92 3.88 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 53 Q 8.16 3.77 0.00 1.88 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 54 A 8.37 3.96 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 55 R 8.28 4.04 0.00 1.93 1.95 0.00 3.09 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 56 A 8.13 3.95 1.32 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 0.00 0.00 57 L 8.00 3.90 0.00 1.83 1.70 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.62 4.07 0.00 2.15 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 2.31 2.40 0.00 59 G 8.56 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.26 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.18 4.10 0.00 1.83 1.71 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.20 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.18 3.72 1.98 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 1.40 0.77 0.90 0.00 0.00 64 L 8.18 3.93 0.00 1.80 1.81 0.90 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 65 S 8.20 4.09 0.00 4.04 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.75 3.98 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 67 L 8.30 4.18 0.00 1.75 1.71 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.48 4.47 4.23 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 1.26 0.00 0.00 69 E 7.54 4.12 0.00 2.10 2.20 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 2.45 2.25 0.00 70 D 8.58 4.53 0.00 2.72 2.47 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 * Residues marked with a * may have inaccurate shift predictions.