NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 C 4.5912 8.3293 118.3641 59.4194 30.2963 173.1200 7 T 4.4321 7.3946 108.8679 58.6571 71.5345 168.3411 8 V 3.9093 8.1595 123.8209 62.4963 32.6124 177.5320 9 N 4.7588 9.1039 126.6030 51.5856 39.9743 175.3818 10 D 4.4108 8.6631 119.3097 58.0038 40.2692 179.2792 11 A 3.9779 8.1192 120.1109 55.3660 18.1661 179.3278 12 E 4.0816 8.5679 117.0329 59.4550 29.5292 179.4489 13 I 3.7866 8.0206 119.9912 63.8693 37.0987 178.0314 14 F 4.0795 8.4732 121.9668 61.5830 39.2109 177.4105 15 S 4.1609 7.9513 113.5606 61.5283 62.5564 176.7267 16 L 3.9407 7.6550 121.8145 57.8063 41.4076 179.8152 17 V 3.4499 7.8959 118.4253 65.7100 31.4575 177.8624 18 K 3.6358 8.0539 119.8588 59.2912 31.6729 178.6874 19 K 3.9180 7.7593 118.9716 59.4244 32.5540 178.3996 20 E 4.0524 7.8845 118.5785 59.4706 29.5085 179.5810 21 V 3.6048 7.7686 118.2391 65.8032 31.3996 177.6865 22 L 4.2564 7.8678 117.1261 56.2023 41.5834 178.1942 23 S 4.5559 7.4068 112.8565 57.4161 63.8140 174.2794 24 L 4.2177 7.0297 122.4211 54.6276 42.3285 176.6748 25 N 4.6673 9.2509 119.4142 53.4444 38.9173 176.4121 26 T 3.7514 7.4912 114.2504 66.5099 69.0330 174.3896 27 N 5.1119 8.1155 117.2747 53.0732 39.1537 174.5448 28 D 4.9084 7.9923 118.2791 51.9781 41.1813 174.8263 29 Y 4.6395 7.2822 118.3028 55.5665 41.2900 173.2548 30 T 4.8418 8.6050 113.1702 61.2258 71.8246 171.9750 31 T 5.2552 8.3313 111.7437 59.0871 72.3504 174.9218 32 A 3.8386 8.9581 123.9797 55.5686 18.4171 179.9422 33 I 3.6433 7.7859 116.4987 64.0864 38.0533 177.9356 34 S 4.0776 7.9070 113.6926 61.4357 62.2832 176.1976 35 L 4.0576 8.0362 121.7334 57.6280 40.8951 179.3936 36 S 4.2458 8.2179 114.9682 60.8390 62.0826 176.1339 37 N 4.2208 7.9115 117.9388 56.4394 38.4980 177.2956 38 R 4.0057 8.3083 118.9041 58.1363 30.3406 176.2418 39 L 4.8009 7.8816 120.0190 53.1607 46.3634 176.5562 *40 K 4.7154 8.3944 118.7385 54.7403 32.7080 172.7125 41 I 4.6564 7.1079 121.1023 59.0886 40.8413 175.7571 42 N 4.4070 8.6896 121.1986 53.6314 40.1146 176.0779 43 K 3.8567 8.7029 124.6973 59.5632 32.2225 178.8342 44 K 3.8696 8.0676 119.2472 59.7506 31.6926 178.7291 45 K 4.7911 7.9287 119.2813 58.8700 31.8785 179.3773 46 I 3.6423 7.5263 119.8552 64.5420 37.1192 178.1655 47 N 4.1988 8.3413 117.4579 56.3885 38.0412 177.3295 48 Q 4.1117 8.3542 119.6251 59.2549 28.7490 179.1927 49 Q 4.0623 7.8353 118.3261 58.6815 28.8570 178.3391 50 L 3.4408 7.7170 120.0949 58.0590 41.6172 179.4039 51 Y 4.2086 7.9881 116.2114 60.8212 37.8538 178.7826 52 K 4.1894 7.8818 119.4898 59.4048 32.1554 179.3563 53 L 4.1811 8.5037 119.7811 57.7863 41.4510 179.4023 54 Q 4.3692 8.1968 121.0605 58.5954 28.8251 178.2733 55 K 4.1597 7.9295 118.2575 58.9141 32.1132 178.1080 56 E 4.4387 7.8515 116.0644 55.3508 29.6720 175.7564 57 D 4.5259 7.8664 117.6046 55.9218 39.1514 174.9217 58 T 4.4242 8.2263 117.7476 64.8911 70.1715 175.3463 59 V 5.1253 7.7186 112.4134 59.3514 36.7232 174.5774 60 K 4.6333 9.3966 122.6689 55.0072 35.4356 174.3743 61 M 4.3736 8.4395 126.5065 53.5448 34.2890 174.8537 62 V 4.3110 8.0409 125.8310 59.9891 33.9124 172.9865 63 P 4.6073 0.0000 0.0000 62.7585 31.7101 175.8098 64 S 4.5097 7.5428 116.0620 58.7734 64.2202 176.2063 65 N 4.7995 8.4377 117.9866 50.8166 39.0149 173.0362 66 P 4.6625 0.0000 0.0000 60.8329 32.8198 174.3107 67 P 4.2893 0.0000 0.0000 63.1057 31.9170 176.0285 68 K 4.4242 8.2909 122.8335 54.7913 34.3811 175.6262 69 W 4.9386 9.1613 124.3128 55.1297 31.8021 174.7695 70 F 5.1375 9.3374 124.2072 55.2497 41.5701 175.3393 71 K 4.4422 8.6313 122.6138 56.1753 32.9886 176.1354 72 N 4.3703 9.1064 126.6684 53.6924 39.4165 175.4187 73 Y 4.5285 8.6766 123.4506 61.3052 38.3562 177.7404 74 N 4.5228 9.0428 117.1882 56.4324 38.8609 174.7826 75 C 4.3685 8.2366 119.3597 60.0295 28.1382 173.3332 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 6 C 8.33 4.59 0.00 2.98 3.05 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 7 T 7.39 4.43 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 8 V 8.16 3.91 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 0.84 0.00 0.00 0.93 0.00 0.00 9 N 9.10 4.76 0.00 3.03 2.95 0.00 0.00 6.54 8.34 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 10 D 8.66 4.41 0.00 2.70 2.80 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 11 A 8.12 3.98 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 12 E 8.57 4.08 0.00 2.23 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 2.34 2.36 0.00 13 I 8.02 3.79 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.86 0.90 0.00 0.00 14 F 8.47 4.08 0.00 3.39 3.30 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 15 S 7.95 4.16 0.00 4.13 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 16 L 7.65 3.94 0.00 1.74 1.67 0.91 0.76 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 17 V 7.90 3.45 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 0.74 0.00 0.00 0.83 0.00 0.00 18 K 8.05 3.64 0.00 1.26 1.70 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.27 7.81 19 K 7.76 3.92 0.00 1.87 1.91 0.00 1.84 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.60 7.81 20 E 7.88 4.05 0.00 2.04 1.92 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 2.49 2.40 0.00 21 V 7.77 3.60 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 1.03 0.00 0.00 0.83 0.00 0.00 22 L 7.87 4.26 0.00 1.83 1.70 0.91 0.70 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 23 S 7.41 4.56 0.00 4.04 4.04 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 24 L 7.03 4.22 0.00 1.77 1.84 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 25 N 9.25 4.67 0.00 3.26 2.76 0.00 0.00 7.09 7.74 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 26 T 7.49 3.75 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 1.40 0.00 0.00 27 N 8.12 5.11 0.00 2.82 2.98 0.00 0.00 6.81 8.06 0.00 0.00 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 D 7.99 4.91 0.00 2.61 2.59 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 0.00 0.00 0.00 0.00 29 Y 7.28 4.64 0.00 2.31 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 30 T 8.60 4.84 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 31 T 8.33 5.26 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 1.43 0.00 0.00 32 A 8.96 3.84 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.79 3.64 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.21 0.95 0.00 0.00 34 S 7.91 4.08 0.00 3.98 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 35 L 8.04 4.06 0.00 1.78 1.61 0.73 0.59 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 36 S 8.22 4.25 0.00 3.96 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 37 N 7.91 4.22 0.00 2.89 2.85 0.00 0.00 7.02 6.98 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 38 R 8.31 4.01 0.00 1.72 1.98 0.00 3.19 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 39 L 7.88 4.80 0.00 1.70 1.56 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 *40 K 8.39 4.72 0.00 1.74 1.62 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.25 0.98 7.81 41 I 7.11 4.66 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 1.28 1.08 0.90 0.00 0.00 42 N 8.69 4.41 0.00 2.72 2.76 0.00 0.00 6.74 6.90 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 43 K 8.70 3.86 0.00 1.82 1.82 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.51 7.81 44 K 8.07 3.87 0.00 1.87 1.80 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.56 7.81 45 K 7.93 4.79 0.00 2.00 1.84 0.00 2.00 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.65 1.39 7.81 46 I 7.53 3.64 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.79 0.73 0.00 0.00 47 N 8.34 4.20 0.00 2.91 3.08 0.00 0.00 7.10 8.44 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 48 Q 8.35 4.11 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 49 Q 7.84 4.06 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 50 L 7.72 3.44 0.00 0.97 0.13 0.36 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.99 4.21 0.00 3.20 3.16 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 0.00 52 K 7.88 4.19 0.00 2.27 2.03 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.76 7.81 53 L 8.50 4.18 0.00 1.86 1.70 0.46 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.20 4.37 0.00 2.43 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 55 K 7.93 4.16 0.00 2.09 1.93 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.87 7.81 56 E 7.85 4.44 0.00 2.22 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 0.00 2.37 2.64 0.00 57 D 7.87 4.53 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 58 T 8.23 4.42 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 1.19 0.00 0.00 59 V 7.72 5.13 2.40 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 0.79 0.00 0.00 1.12 0.00 0.00 60 K 9.40 4.63 0.00 1.70 1.52 0.00 1.41 0.00 0.00 1.51 0.00 0.00 2.80 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.15 1.27 7.81 61 M 8.44 4.37 0.00 1.35 0.57 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.26 0.00 62 V 8.04 4.31 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 0.86 0.00 0.00 0.78 0.00 0.00 63 P 0.00 4.61 0.00 2.06 1.99 0.00 3.81 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 64 S 7.54 4.51 0.00 3.94 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 65 N 8.44 4.80 0.00 2.69 2.80 0.00 0.00 6.89 8.02 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 66 P 0.00 4.66 0.00 2.26 2.10 0.00 3.80 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 2.02 2.03 0.00 67 P 0.00 4.29 0.00 2.04 1.82 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 68 K 8.29 4.42 0.00 1.41 0.74 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.61 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.35 0.97 7.81 69 W 9.16 4.94 0.00 3.25 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 70 F 9.34 5.14 0.00 2.84 2.89 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 71 K 8.63 4.44 0.00 1.94 1.76 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.46 7.81 72 N 9.11 4.37 0.00 2.77 2.74 0.00 0.00 7.01 7.10 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 73 Y 8.68 4.53 0.00 3.03 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 74 N 9.04 4.52 0.00 2.71 2.93 0.00 0.00 7.03 7.66 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 75 C 8.24 4.37 0.00 3.08 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.