NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 59 S 4.4650 8.2929 117.0992 58.0748 63.8191 174.5417 *60 H 4.2298 8.4814 115.9058 60.7862 27.7027 171.6869 61 D 4.4240 8.7952 120.4133 57.1522 41.3483 178.1259 62 D 4.3117 8.0144 118.9816 57.0532 40.9523 178.0334 63 A 3.9881 7.9830 121.3540 55.3750 18.2941 179.7822 64 L 3.8703 7.4277 116.6915 57.9771 41.8045 179.2607 65 L 3.9458 7.7909 120.1233 58.4402 41.8852 178.8878 66 N 4.3306 8.7520 116.4865 56.7276 38.4761 177.4572 67 T 3.9784 7.7338 116.7184 66.6620 68.3903 176.6807 68 L 3.9770 7.9289 120.7578 57.4866 41.5912 179.3087 69 A 3.9637 7.9376 120.7210 55.2716 18.4341 179.6015 70 I 3.6315 8.2757 118.6090 64.7677 36.9857 178.7719 71 L 4.0568 7.9286 118.5245 57.4820 41.6864 179.1715 72 Q 4.0655 8.3648 120.1668 59.0849 29.0573 177.9273 73 K 3.8830 8.2005 120.8516 59.6752 32.3237 178.2352 74 E 4.0380 8.1207 118.6205 58.5662 29.4910 178.5600 75 L 4.0451 8.0479 123.4032 58.5191 42.1697 179.4225 76 K 3.9610 8.0011 123.2398 59.8879 31.7385 180.5378 77 S 4.2926 7.8734 114.2101 61.2859 62.3636 176.5591 78 K 4.0232 7.9653 120.6341 59.5232 31.7773 179.2832 79 E 4.0089 8.3442 118.9459 59.3740 29.3711 179.1512 80 Q 4.0302 8.1930 119.6661 58.8034 29.0947 177.6460 81 E 4.0152 8.1289 120.1062 58.9180 29.6243 178.8789 82 I 3.7242 7.5524 119.7958 64.1085 37.0600 178.1192 83 R 3.8540 7.9278 119.6379 59.6361 29.9135 178.6131 84 R 4.8270 7.8701 119.6120 59.0242 30.0794 178.4487 85 L 4.0920 7.9179 118.8182 57.3890 41.5585 179.5308 86 K 4.0634 8.0590 118.7990 59.2125 31.9828 179.2552 87 E 3.9796 8.0338 118.9425 59.2842 29.4606 179.4358 88 V 3.5986 7.8213 118.3447 66.1122 31.5578 178.2063 89 I 3.7293 7.8025 119.2848 64.2520 37.0419 178.2891 90 A 3.9862 8.1405 121.7149 55.0866 18.1440 179.4767 91 L 3.9527 8.0015 118.9021 58.1840 42.0607 179.4011 92 K 4.0492 7.9072 118.1445 59.3358 31.9602 179.0629 93 N 4.3489 8.2857 116.9646 56.1273 38.3507 177.5220 94 K 3.9443 7.9157 119.4324 59.5841 32.1852 178.9077 95 N 4.3362 7.9882 116.8966 56.9688 38.8562 177.0451 96 T 3.8984 8.2277 117.6436 66.6892 68.5506 176.5536 97 E 4.0420 8.4047 120.4756 59.0784 29.3714 179.4189 98 R 3.9224 7.7470 118.8500 59.2759 30.0740 178.5318 99 L 4.2514 7.8470 120.2192 57.3331 41.6073 179.1493 100 N 4.3221 8.2163 116.4293 56.5759 38.4114 177.2534 101 D 4.3966 7.9984 119.7437 57.2916 40.5870 178.6898 102 E 3.9675 8.4043 119.2965 59.3212 29.5170 179.3679 103 L 4.0904 8.2856 119.4657 57.8360 41.7236 179.6450 104 I 3.7611 7.7691 119.8554 64.2324 36.9552 178.6327 105 S 4.1922 8.4084 116.4044 61.7380 62.8195 176.9276 106 G 3.8020 8.5133 108.6271 48.2933 0.0000 175.7556 107 T 3.9602 7.8039 117.6231 66.4767 68.3487 176.9516 108 I 3.8128 7.5880 121.3756 64.1457 37.0152 178.0376 109 E 3.9299 8.4762 119.7407 58.8075 29.5104 177.7410 110 N 4.5192 8.1708 116.4856 55.3356 38.7067 176.0372 111 N 4.4704 7.7370 118.3422 55.8383 38.8733 177.4092 112 V 3.6928 8.1124 114.8679 64.1951 31.5203 178.2832 113 L 4.1106 7.7968 117.0530 58.0918 40.4856 178.6760 114 Q 4.2152 7.3834 121.8185 59.5192 28.9578 178.4716 115 Q 4.2512 7.7440 121.2296 59.6850 28.2861 179.2791 116 K 4.5235 7.5720 127.1211 57.6275 32.0110 181.7784 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 59 S 8.29 4.47 0.00 3.67 3.86 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 0.00 0.00 0.00 *60 H 8.48 4.23 0.00 2.99 3.10 0.00 7.14 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.80 4.42 0.00 2.71 2.73 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 0.00 0.00 0.00 0.00 62 D 8.01 4.31 0.00 2.89 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 3.99 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 64 L 7.43 3.87 0.00 1.58 1.72 0.92 0.47 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 65 L 7.79 3.95 0.00 1.90 1.83 0.92 0.71 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 66 N 8.75 4.33 0.00 2.83 2.85 0.00 0.00 7.01 6.94 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 67 T 7.73 3.98 4.41 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 1.21 0.00 0.00 68 L 7.93 3.98 0.00 1.89 1.71 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.94 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 70 I 8.28 3.63 2.01 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 1.09 0.91 0.00 0.00 71 L 7.93 4.06 0.00 1.79 1.73 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.36 4.07 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 73 K 8.20 3.88 0.00 1.85 1.95 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.46 7.81 74 E 8.12 4.04 0.00 2.20 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 2.30 2.35 0.00 75 L 8.05 4.05 0.00 1.95 1.81 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.00 3.96 0.00 1.80 1.81 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.07 7.81 77 S 7.87 4.29 0.00 3.87 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 78 K 7.97 4.02 0.00 2.01 1.84 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.72 1.62 7.81 79 E 8.34 4.01 0.00 2.14 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 2.33 2.59 0.00 80 Q 8.19 4.03 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 81 E 8.13 4.02 0.00 2.14 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 0.00 2.30 2.39 0.00 82 I 7.55 3.72 2.09 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 1.41 0.77 0.91 0.00 0.00 83 R 7.93 3.85 0.00 2.04 2.07 0.00 3.09 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 1.63 1.64 0.00 84 R 7.87 4.83 0.00 1.94 2.04 0.00 3.19 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 85 L 7.92 4.09 0.00 1.91 1.70 0.95 0.70 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 86 K 8.06 4.06 0.00 2.02 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.67 7.81 87 E 8.03 3.98 0.00 2.12 1.99 0.00 0.00 0.00 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 2.45 0.00 88 V 7.82 3.60 2.24 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 1.03 0.00 0.00 0.97 0.00 0.00 89 I 7.80 3.73 2.02 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 1.45 0.66 0.91 0.00 0.00 90 A 8.14 3.99 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 91 L 8.00 3.95 0.00 1.90 1.85 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.91 4.05 0.00 2.04 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.64 7.81 93 N 8.29 4.35 0.00 2.92 2.87 0.00 0.00 6.98 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.92 3.94 0.00 2.06 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.45 7.81 95 N 7.99 4.34 0.00 2.73 2.99 0.00 0.00 7.28 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.23 3.90 4.41 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 1.21 0.00 0.00 97 E 8.40 4.04 0.00 2.19 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 2.33 2.44 0.00 98 R 7.75 3.92 0.00 2.02 2.02 0.00 3.09 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 1.62 1.66 0.00 99 L 7.85 4.25 0.00 1.94 1.70 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 100 N 8.22 4.32 0.00 2.94 2.87 0.00 0.00 7.06 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 0.00 101 D 8.00 4.40 0.00 2.82 2.71 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 0.00 102 E 8.40 3.97 0.00 2.14 1.99 0.00 0.00 0.00 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 2.55 0.00 103 L 8.29 4.09 0.00 1.91 1.71 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.77 3.76 2.01 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 1.20 0.91 0.00 0.00 105 S 8.41 4.19 0.00 4.11 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 0.00 106 G 8.51 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 7.80 3.96 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 108 I 7.59 3.81 1.98 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 1.41 0.96 0.91 0.00 0.00 109 E 8.48 3.93 0.00 2.00 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 2.32 2.31 0.00 110 N 8.17 4.52 0.00 2.94 2.79 0.00 0.00 6.69 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 N 7.74 4.47 0.00 3.06 2.79 0.00 0.00 7.03 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.11 3.69 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 0.88 0.00 0.00 0.97 0.00 0.00 113 L 7.80 4.11 0.00 1.77 1.80 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 7.38 4.22 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 7.04 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 115 Q 7.74 4.25 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 116 K 7.57 4.52 0.00 1.84 1.60 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.39 1.32 7.81 * Residues marked with a * may have inaccurate shift predictions.