NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *42 K 4.2574 8.3101 122.1369 54.3993 34.1838 176.1828 43 A 4.1346 7.7326 121.9428 50.8582 19.1553 175.6134 44 M 4.1816 9.1128 123.3006 55.5235 33.8240 175.2598 45 I 3.7975 8.0986 123.0997 63.8516 37.7771 176.0253 46 N 4.5275 7.3759 118.5555 52.4945 39.1772 174.3396 47 L 4.1739 8.4594 126.0521 57.0830 42.2210 177.3914 48 H 4.9365 7.9205 110.4204 54.8493 31.0012 173.2092 49 I 3.9438 8.2960 121.4890 62.0821 38.2999 176.4115 50 Q 3.2598 8.6513 126.4636 57.3827 26.8761 174.9145 51 K 4.2009 7.6585 118.1030 58.2384 32.9135 178.3943 52 D 4.4191 8.0037 117.3965 54.3084 39.8888 175.4529 53 N 4.7294 7.8591 120.0331 51.3505 39.1734 173.0207 54 P 4.2902 0.0000 0.0000 64.7094 31.7402 176.5020 55 K 4.1079 7.9681 120.1188 55.6073 33.8240 175.0675 56 I 4.1830 8.3419 128.9078 60.5782 37.1351 175.7513 57 V 4.5707 8.2114 124.7169 61.1134 34.2950 174.2317 58 H 4.6841 8.6901 122.1627 53.7479 31.6678 173.1533 59 A 4.4566 7.7771 124.5162 50.3435 21.4407 175.4809 60 F 4.9925 8.4918 121.0714 55.5953 42.4307 174.6302 61 D 4.7449 8.5988 123.7495 53.7450 41.8717 177.6528 62 M 4.1318 8.8056 123.0714 58.5628 32.2629 178.6686 63 E 4.0455 8.1684 117.1144 59.1081 29.7744 177.2193 64 D 4.6637 7.7402 116.4417 54.2284 41.1091 176.2010 65 L 4.2642 7.5893 120.9695 53.9627 42.4783 178.1794 66 G 3.9967 8.2804 118.0859 45.5011 0.0000 173.6752 67 D 4.5397 8.7108 118.6803 56.9885 42.1925 176.7774 68 K 4.9762 7.7519 117.9017 54.9415 35.3537 175.0964 69 A 4.5265 9.1450 129.0260 49.8687 22.4444 174.9825 70 V 4.4205 7.8932 120.5464 61.3781 34.4946 173.5860 71 Y 4.9838 8.9923 126.4301 56.1645 40.4321 174.8913 72 C 4.5528 8.7063 125.0690 59.1410 32.1817 173.4413 73 R 4.5932 8.6976 123.3455 56.0363 29.3541 175.8350 74 C 4.7005 7.9146 112.7415 56.9114 30.9721 174.2113 75 W 3.4838 8.0083 118.6478 58.0712 25.9941 174.7070 76 R 4.6258 7.4468 115.0959 55.7470 31.4606 176.5189 77 S 4.5478 8.0513 112.8531 58.1538 62.9247 173.9980 78 K 4.2975 9.1292 125.6298 57.8441 32.3721 177.9121 79 K 4.5834 8.1448 118.4592 55.7451 32.3098 175.5549 80 F 3.9852 8.3960 120.9688 58.4140 39.4966 173.4998 81 P 2.9700 0.0000 0.0000 62.8288 31.6038 175.8560 82 F 4.6755 7.4074 118.6685 56.6169 39.8244 174.9787 83 C 4.3418 8.6736 125.7908 59.4577 31.7923 172.9999 84 D 4.8100 8.8595 124.6189 52.9483 39.8603 176.7066 85 G 3.8000 8.4060 107.3273 45.9813 0.0000 175.4999 86 A 4.0771 8.1929 122.6704 54.9176 18.1676 179.4343 87 H 4.2133 8.3410 114.0058 59.1691 28.2548 177.6954 88 T 3.8585 7.5272 111.8981 64.5366 68.5366 176.4213 89 K 3.9061 7.9661 122.3508 59.1706 32.3196 177.8703 90 H 4.1067 8.2026 118.4713 59.5753 29.8263 176.8716 91 N 4.3027 8.6051 118.5362 56.3166 38.1275 177.0813 92 E 3.9498 8.1432 119.7592 59.3680 29.8423 178.4564 93 E 4.1378 8.5468 118.3513 58.5590 29.6179 178.3057 94 T 4.5138 7.7927 106.9628 60.4762 70.1515 175.2675 95 G 3.7868 7.9965 109.4586 45.9506 0.0000 173.0894 96 D 4.7817 7.3913 118.9802 53.3541 42.2201 175.3415 97 N 5.1173 8.1961 116.2106 52.3569 37.5258 174.9312 98 V 4.1155 8.2137 111.1448 62.2407 32.9638 175.2839 99 G 4.1170 7.8833 107.9849 44.8189 0.0000 170.4726 100 P 4.8283 0.0000 0.0000 62.3287 33.0545 175.1732 101 L 4.6900 8.6127 122.0017 53.4876 43.8853 174.7841 102 I 4.9141 8.4365 126.8524 59.6412 39.4245 174.8745 103 I 4.7151 8.7140 127.9571 59.3595 39.6827 174.9222 104 K 5.1179 8.4371 124.7362 55.1674 36.1076 175.6192 105 K 4.2840 8.7458 121.0141 55.3609 32.9504 177.5456 106 K 4.0919 8.5653 124.0676 56.7748 32.1560 176.4032 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 *42 K 8.31 4.26 0.00 1.79 1.79 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 43 A 7.73 4.13 1.25 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 0.00 0.00 0.00 44 M 9.11 4.18 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 45 I 8.10 3.80 1.57 0.00 0.00 0.81 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 0.40 0.78 0.00 0.00 46 N 7.38 4.53 0.00 1.69 2.22 0.00 0.00 6.97 7.78 0.00 0.00 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 L 8.46 4.17 0.00 1.25 1.37 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 48 H 7.92 4.94 0.00 3.10 3.26 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.30 3.94 2.03 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.51 0.91 0.00 0.00 50 Q 8.65 3.26 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.95 0.00 0.00 0.00 0.00 0.00 2.61 2.42 0.00 51 K 7.66 4.20 0.00 1.79 1.83 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.36 7.81 52 D 8.00 4.42 0.00 2.79 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 53 N 7.86 4.73 0.00 2.73 2.97 0.00 0.00 7.17 7.16 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 54 P 0.00 4.29 0.00 2.20 2.15 0.00 3.84 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 1.97 1.94 0.00 55 K 7.97 4.11 0.00 1.71 1.70 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.40 7.81 56 I 8.34 4.18 2.29 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.73 1.31 0.00 0.00 57 V 8.21 4.57 2.06 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 0.82 0.00 0.00 1.01 0.00 0.00 58 H 8.69 4.68 0.00 2.97 2.83 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.78 4.46 1.05 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 60 F 8.49 4.99 0.00 3.02 2.98 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 61 D 8.60 4.74 0.00 2.93 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 62 M 8.81 4.13 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 63 E 8.17 4.05 0.00 1.97 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 2.33 2.41 0.00 64 D 7.74 4.66 0.00 2.72 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 4.26 0.00 1.85 1.62 1.03 1.28 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 66 G 8.28 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.71 4.54 0.00 2.57 2.69 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 68 K 7.75 4.98 0.00 1.66 1.55 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.23 1.38 7.81 69 A 9.15 4.53 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 4.42 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 1.04 0.00 0.00 0.83 0.00 0.00 71 Y 8.99 4.98 0.00 2.88 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.71 4.55 0.00 2.99 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.70 4.59 0.00 2.00 1.96 0.00 3.26 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 74 C 7.91 4.70 0.00 3.09 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 75 W 8.01 3.48 0.00 3.37 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.45 4.63 0.00 1.93 1.98 0.00 3.39 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 77 S 8.05 4.55 0.00 3.92 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 78 K 9.13 4.30 0.00 1.83 1.89 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.58 7.81 79 K 8.14 4.58 0.00 2.09 1.90 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.39 7.81 80 F 8.40 3.99 0.00 3.14 2.99 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 81 P 0.00 2.97 0.00 1.49 1.12 0.00 3.60 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.65 0.00 82 F 7.41 4.68 0.00 3.11 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 83 C 8.67 4.34 0.00 2.89 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 84 D 8.86 4.81 0.00 2.79 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 85 G 8.41 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 86 A 8.19 4.08 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 87 H 8.34 4.21 0.00 3.41 3.64 0.00 5.47 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 7.53 3.86 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 1.13 0.00 0.00 89 K 7.97 3.91 0.00 1.85 2.03 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.51 7.81 90 H 8.20 4.11 0.00 3.38 3.52 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.61 4.30 0.00 2.98 2.96 0.00 0.00 6.74 7.25 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 92 E 8.14 3.95 0.00 2.04 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 2.32 2.39 0.00 93 E 8.55 4.14 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 2.35 2.39 0.00 94 T 7.79 4.51 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 1.14 0.00 0.00 95 G 8.00 3.79 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 0.00 0.00 0.00 96 D 7.39 4.78 0.00 2.67 2.83 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 0.00 0.00 0.00 97 N 8.20 5.12 0.00 2.82 2.82 0.00 0.00 5.97 7.68 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 98 V 8.21 4.12 2.14 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 0.83 0.00 0.00 1.11 0.00 0.00 99 G 7.88 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.83 0.00 2.06 2.05 0.00 3.58 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 101 L 8.61 4.69 0.00 1.82 1.64 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.44 4.91 1.87 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 1.31 0.74 0.89 0.00 0.00 103 I 8.71 4.72 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.27 0.98 0.00 0.00 104 K 8.44 5.12 0.00 1.76 1.71 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.46 7.81 105 K 8.75 4.28 0.00 1.63 1.77 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.52 7.81 106 K 8.57 4.09 0.00 1.71 1.69 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.