NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 K 4.2529 8.3149 121.7877 55.6935 32.2662 175.1331 11 N 4.2558 8.5657 123.9757 51.9014 39.1523 170.4867 12 V 4.2468 8.2546 121.2117 62.2942 34.2459 174.9898 13 T 5.1749 7.8926 111.3026 59.8944 71.0112 173.3908 14 L 4.9943 8.8380 123.1669 53.2736 46.3646 175.3594 15 T 5.0895 8.4206 116.1715 61.9554 71.7706 173.5272 16 I 4.5943 8.9658 127.0160 59.4888 40.4309 174.6674 17 R 5.2010 8.6727 124.8805 54.3992 32.7671 175.1684 18 L 4.8319 9.0492 122.9918 53.0434 44.3935 175.9010 19 L 4.8406 8.4586 122.9124 53.8702 43.8260 175.8255 *21 H 4.7018 8.5377 117.3506 55.4833 30.0533 175.0789 22 G 3.6934 8.3975 108.2387 47.6043 0.0000 176.4569 23 K 4.0428 8.0388 120.8157 59.8441 32.8806 179.1400 24 E 3.9420 8.0841 119.3670 59.1311 29.4291 179.1716 25 V 3.6660 7.8176 117.9931 65.8051 31.5725 177.9598 26 G 3.9798 8.1819 105.9978 48.2744 0.0000 175.7609 27 S 4.2264 7.5733 115.2184 60.5961 63.4272 176.3388 28 I 3.8213 7.6489 123.2490 64.2590 36.8940 178.2689 29 I 3.7726 7.8603 120.8546 63.8525 37.0767 177.8154 30 G 4.1141 7.9784 105.3583 44.3694 0.0000 172.3896 31 K 4.1603 8.2673 117.8356 57.2467 32.3169 177.8615 32 K 3.6897 9.4471 122.4475 57.3665 29.8744 175.6794 33 G 4.0143 7.9882 103.9932 46.6112 0.0000 176.4246 34 E 4.0946 8.0327 120.0434 58.4292 29.2749 179.0520 35 S 4.1865 7.9336 116.3096 61.4179 63.2755 176.5618 36 V 3.7413 7.1898 118.9135 64.3144 31.2745 178.1413 37 K 4.1089 7.8922 120.0966 59.1541 32.0796 180.3393 38 K 3.8738 7.5692 118.7695 56.6695 32.1769 178.6745 *40 R 4.2589 7.9587 116.6351 55.9199 32.0552 177.8180 41 E 3.9754 8.1847 115.5942 59.5486 29.5727 178.5993 42 E 4.2268 8.2282 117.0786 58.6327 29.8901 178.2643 43 S 4.2217 8.1274 113.2148 58.8934 63.6588 175.9945 44 G 3.9275 8.0205 106.6451 45.2094 0.0000 173.1240 45 A 4.4894 7.7423 121.4748 50.8961 19.9568 177.7194 46 R 3.9949 8.6227 122.1734 56.6004 31.2797 175.4165 47 I 4.9958 8.4149 126.7427 59.5807 40.1121 174.1752 48 N 5.0068 9.4236 126.6247 51.6845 41.6151 172.9692 49 I 4.9556 8.2347 126.7055 59.1192 39.2077 175.6957 50 S 4.2793 8.7020 122.8066 58.4584 63.4303 173.9950 51 E 4.3556 8.5640 122.9192 56.5685 31.7111 176.1656 52 G 4.2209 8.2814 109.5673 44.8797 0.0000 174.3711 53 N 4.8309 8.8600 120.8858 52.2133 40.1066 172.5563 54 C 3.9726 8.0040 116.7421 59.9760 31.9670 171.0212 55 P 4.6363 0.0000 0.0000 62.5425 31.9176 174.4864 56 E 4.4195 7.8794 117.8409 54.1794 30.4808 174.5442 57 R 4.7743 8.4240 123.6121 54.0940 33.7216 175.0715 58 I 4.6372 8.8038 121.8764 59.7452 40.1039 174.7677 59 I 4.8110 8.8455 128.6326 60.1305 39.0885 174.7656 60 T 4.9195 8.7426 125.1857 62.3301 70.1813 173.9126 61 L 5.3122 8.7370 126.4700 53.0825 44.2819 175.5309 62 A 5.7535 8.7372 123.9360 50.3867 23.3728 176.6792 63 G 4.1401 8.9215 106.0865 43.1640 0.0000 170.7292 64 P 5.3161 0.0000 0.0000 62.5312 33.1030 177.2053 65 T 3.9136 8.6553 117.5906 67.2273 68.2952 176.3117 66 N 4.4092 8.1656 117.9756 56.3393 39.0791 176.5886 67 A 4.2576 7.9346 123.1472 54.6937 18.4544 179.0660 68 I 3.6758 7.8107 118.2134 64.8712 37.2004 178.2135 69 F 4.0972 8.3791 120.9205 61.3008 38.9764 177.2893 70 K 3.9764 8.3531 116.8921 59.3962 31.9794 178.7915 71 A 4.1268 7.8795 119.5420 55.2044 18.6612 178.8655 72 F 4.1547 8.4358 119.0989 61.3747 39.2611 178.3062 73 A 3.8879 7.7961 118.4511 52.3486 17.9775 179.3046 *75 I 3.9410 7.7494 123.2703 63.0896 39.4637 178.5291 76 I 3.4715 7.3398 120.8297 64.3575 36.5875 178.2368 77 D 4.2966 8.0570 119.0723 56.9714 40.6373 178.4968 78 K 4.0031 7.8012 118.8071 59.6777 32.4103 178.2947 79 L 4.0681 7.7923 118.1217 57.0088 42.5143 178.4306 80 E 4.4511 7.9788 118.5670 54.6396 27.9510 176.1859 81 E 4.2309 7.5825 120.5460 57.7052 29.2401 175.2799 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 10 K 8.31 4.25 0.00 1.73 1.84 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.46 7.81 11 N 8.57 4.26 0.00 2.81 2.84 0.00 0.00 7.12 6.79 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 12 V 8.25 4.25 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 0.79 0.00 0.00 0.93 0.00 0.00 13 T 7.89 5.17 4.25 0.00 0.00 0.00 0.00 0.00 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 L 8.84 4.99 0.00 1.58 1.55 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.42 5.09 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 1.22 0.00 0.00 16 I 8.97 4.59 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.17 0.88 0.00 0.00 17 R 8.67 5.20 0.00 1.65 1.82 0.00 3.21 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 18 L 9.05 4.83 0.00 1.56 1.60 1.05 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.46 4.84 0.00 1.54 1.60 0.92 1.10 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 *21 H 8.54 4.70 0.00 3.29 3.26 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.40 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 23 K 8.04 4.04 0.00 1.99 2.08 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.52 7.81 24 E 8.08 3.94 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 2.37 2.35 0.00 25 V 7.82 3.67 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 1.09 0.00 0.00 0.98 0.00 0.00 26 G 8.18 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.57 4.23 0.00 4.02 3.99 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 0.00 0.00 0.00 28 I 7.65 3.82 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.18 0.89 0.00 0.00 29 I 7.86 3.77 1.86 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 0.95 0.91 0.00 0.00 30 G 7.98 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.27 4.16 0.00 1.83 1.75 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.45 7.81 32 K 9.45 3.69 0.00 1.89 1.88 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.41 7.81 33 G 7.99 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 34 E 8.03 4.09 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 35 S 7.93 4.19 0.00 4.21 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 36 V 7.19 3.74 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 0.77 0.00 0.00 0.93 0.00 0.00 37 K 7.89 4.11 0.00 1.95 1.99 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.44 7.81 38 K 7.57 3.87 0.00 1.81 1.88 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.49 7.81 *40 R 7.96 4.26 0.00 2.11 2.00 0.00 3.19 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 41 E 8.18 3.98 0.00 2.11 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 2.35 2.37 0.00 42 E 8.23 4.23 0.00 2.07 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 2.38 0.00 43 S 8.13 4.22 0.00 4.25 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.02 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 45 A 7.74 4.49 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 46 R 8.62 3.99 0.00 1.94 1.97 0.00 3.04 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 47 I 8.41 5.00 1.88 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 1.25 0.98 0.92 0.00 0.00 48 N 9.42 5.01 0.00 2.69 2.64 0.00 0.00 6.59 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.23 4.96 1.87 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 1.40 0.77 0.91 0.00 0.00 50 S 8.70 4.28 0.00 3.88 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 51 E 8.56 4.36 0.00 1.95 1.88 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 2.27 2.30 0.00 52 G 8.28 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.86 4.83 0.00 2.63 2.74 0.00 0.00 6.74 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 8.00 3.97 0.00 2.96 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 55 P 0.00 4.64 0.00 2.18 2.04 0.00 3.58 0.00 0.00 3.69 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 56 E 7.88 4.42 0.00 1.85 1.79 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 2.14 2.34 0.00 57 R 8.42 4.77 0.00 1.71 1.80 0.00 3.37 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 58 I 8.80 4.64 1.88 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 1.23 0.84 0.92 0.00 0.00 59 I 8.85 4.81 1.90 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 1.23 0.62 0.93 0.00 0.00 60 T 8.74 4.92 4.25 0.00 0.00 0.00 0.00 0.00 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 61 L 8.74 5.31 0.00 1.62 1.59 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.74 5.75 1.20 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 0.00 0.00 63 G 8.92 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 0.00 0.00 0.00 64 P 0.00 5.32 0.00 2.18 2.02 0.00 3.92 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 65 T 8.66 3.91 4.25 0.00 0.00 0.00 0.00 0.00 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 66 N 8.17 4.41 0.00 2.84 2.84 0.00 0.00 7.08 7.97 0.00 0.00 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 A 7.93 4.26 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 68 I 7.81 3.68 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.91 0.93 0.00 0.00 69 F 8.38 4.10 0.00 3.19 3.11 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 0.00 0.00 0.00 70 K 8.35 3.98 0.00 1.83 1.91 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.61 1.80 7.81 71 A 7.88 4.13 1.40 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 72 F 8.44 4.15 0.00 3.02 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 73 A 7.80 3.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.75 3.94 1.77 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 1.35 0.71 0.78 0.00 0.00 76 I 7.34 3.47 1.70 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.61 0.76 0.00 0.00 77 D 8.06 4.30 0.00 2.66 2.68 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 0.00 0.00 0.00 0.00 78 K 7.80 4.00 0.00 1.66 1.92 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.56 7.81 79 L 7.79 4.07 0.00 1.72 1.66 0.82 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.98 4.45 0.00 2.09 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 2.48 2.26 0.00 81 E 7.58 4.23 0.00 2.03 1.87 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 2.16 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.