NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *28 S 4.4909 8.1933 117.0992 57.8711 64.1493 173.7617 29 N 4.4712 8.4060 113.1054 56.0196 38.5695 175.9662 30 R 4.0335 8.7962 118.1661 58.2977 31.4814 177.1308 31 R 4.7999 7.6870 114.0934 55.4117 33.1367 177.6154 32 L 3.9371 7.9379 118.8352 58.3875 42.1932 178.9677 33 Q 4.0398 8.2088 118.0477 58.7965 28.3565 178.7285 34 Q 4.0079 7.9776 118.8703 59.2797 28.3305 178.6952 35 T 4.0523 8.0851 116.8479 66.5997 68.5633 176.6116 36 Q 3.9778 8.2937 121.3618 59.0649 28.8737 178.1959 37 A 4.2496 8.3383 123.3998 54.5725 18.5232 179.1371 38 Q 4.1332 8.1336 114.5988 57.8794 28.8296 178.1511 39 V 3.7898 7.2873 119.9237 65.6677 31.8442 177.4464 40 D 4.4040 8.0066 118.3789 56.9530 40.5076 178.5202 41 E 3.9698 7.9066 120.0490 59.3906 29.8884 179.0825 42 V 3.7286 7.3572 117.2977 65.5055 31.4514 178.1075 43 V 3.6502 7.6425 118.3254 65.8898 31.2017 177.7119 44 D 4.3478 8.0871 118.6645 57.4206 40.6830 178.7699 45 I 3.7281 8.1430 120.7182 64.7973 37.1446 178.4997 46 M 4.1487 8.0433 119.2239 58.1082 31.7284 178.8025 47 R 4.1042 8.1096 119.1864 59.0657 30.1752 178.7956 48 V 3.6019 7.5574 118.3208 65.9226 31.4899 177.7742 49 N 4.3224 8.0975 116.3200 56.4052 38.1184 177.5638 50 V 3.5678 8.3411 119.9622 65.9943 31.0756 177.6006 51 D 4.3349 7.9135 117.5390 57.0628 40.9771 178.4010 52 K 4.0821 8.1469 119.2914 59.3568 32.1386 179.5191 53 V 3.7534 8.1017 112.0362 63.4050 31.3743 178.1962 54 L 4.1778 7.5660 118.7873 56.9950 41.4497 179.0119 55 E 3.9756 7.7206 117.9104 59.2067 29.4212 178.8857 56 R 3.8561 8.1549 118.9203 59.5358 30.0538 177.9448 57 D 4.3069 8.0495 117.6847 57.4931 41.2198 178.1365 58 Q 3.9827 7.9291 119.8260 58.9132 29.0745 178.1497 59 K 3.9568 8.3514 119.8963 59.5490 32.0614 179.3699 60 L 4.0174 8.3172 119.6566 57.8023 41.1064 179.5533 61 S 4.0842 8.1401 113.2583 61.2325 62.2128 175.8455 62 E 4.0334 8.1210 122.2591 58.9725 29.4113 178.4683 63 L 3.9631 8.0352 120.5538 57.9060 41.7371 178.3782 64 D 4.4537 8.4804 118.6771 56.9884 41.0884 177.8403 65 D 4.2929 7.6818 117.4137 57.4142 41.3371 178.2222 66 R 3.9023 8.1475 118.4860 59.4872 30.1763 179.0202 67 A 4.0215 8.6224 120.4483 54.8239 18.4153 179.1238 68 D 4.3057 7.9071 116.3391 57.1196 41.1961 178.3544 69 A 3.9896 8.0834 121.5859 54.8523 18.3118 179.1632 70 L 3.8464 8.0583 119.0134 58.5367 42.2448 179.1213 71 Q 3.9366 8.1023 119.0360 59.0085 28.9313 178.0611 72 A 4.1037 7.9598 121.8079 55.1784 18.4834 179.9458 73 G 3.5830 8.9061 104.8681 47.7471 0.0000 175.8743 74 A 4.1870 8.4256 123.4153 54.8234 18.2521 179.6345 75 S 4.0474 8.0225 111.5772 61.7180 62.5118 176.2863 76 Q 3.9919 7.9869 121.8630 59.0992 28.6995 177.8380 77 F 4.4014 8.3369 121.8555 61.3512 39.4558 176.7594 78 E 3.6344 8.3991 118.9420 59.3310 29.4846 178.9478 79 T 3.9535 7.6114 116.1477 66.3604 68.4616 177.1525 80 S 4.1156 8.0525 117.0451 61.3852 62.8131 176.4796 81 A 3.7807 7.9617 123.5324 55.1039 18.0285 179.3763 82 A 3.9052 7.7466 119.1264 55.3763 18.2765 180.1192 83 K 3.9475 7.8544 116.4364 59.4311 32.0819 179.3515 84 L 4.0544 8.2903 121.0728 58.2385 41.4868 179.2563 85 K 3.9753 8.4722 118.8291 59.4049 31.7005 179.6608 86 R 4.0613 7.6828 117.4919 58.9064 30.0544 178.6541 87 K 4.1059 8.2234 118.8803 58.8979 33.8364 177.9054 88 Y 2.8493 7.8485 118.2802 55.7189 34.4939 176.7234 89 W 4.5162 7.4819 115.0888 57.2458 29.0343 177.4095 90 W 4.6260 6.5654 115.0813 56.1460 28.2917 175.7455 91 K 4.3804 7.0514 119.5920 55.0766 32.9477 176.2873 92 N 4.5262 8.6190 119.4942 53.5971 38.5961 175.0252 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 *28 S 8.19 4.49 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 29 N 8.41 4.47 0.00 2.83 2.88 0.00 0.00 6.83 6.78 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 30 R 8.80 4.03 0.00 1.80 2.00 0.00 3.15 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 31 R 7.69 4.80 0.00 1.82 1.89 0.00 3.13 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 32 L 7.94 3.94 0.00 1.75 1.65 0.92 0.85 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 33 Q 8.21 4.04 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 34 Q 7.98 4.01 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 35 T 8.09 4.05 4.43 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 1.21 0.00 0.00 36 Q 8.29 3.98 0.00 2.17 2.25 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 2.35 2.58 0.00 37 A 8.34 4.25 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 38 Q 8.13 4.13 0.00 2.31 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.55 2.36 0.00 39 V 7.29 3.79 2.26 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 1.03 0.00 0.00 0.98 0.00 0.00 40 D 8.01 4.40 0.00 2.76 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 41 E 7.91 3.97 0.00 2.01 1.93 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 2.30 2.31 0.00 42 V 7.36 3.73 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 0.94 0.00 0.00 1.02 0.00 0.00 43 V 7.64 3.65 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.95 0.00 0.00 44 D 8.09 4.35 0.00 2.91 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 45 I 8.14 3.73 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 1.52 0.90 0.91 0.00 0.00 46 M 8.04 4.15 0.00 2.06 2.20 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 2.62 2.72 0.00 47 R 8.11 4.10 0.00 1.89 1.92 0.00 3.09 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 48 V 7.56 3.60 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.96 0.00 0.00 49 N 8.10 4.32 0.00 2.94 2.85 0.00 0.00 6.68 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 50 V 8.34 3.57 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 0.99 0.00 0.00 0.96 0.00 0.00 51 D 7.91 4.33 0.00 2.90 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.15 4.08 0.00 2.00 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.72 7.81 53 V 8.10 3.75 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 0.90 0.00 0.00 1.00 0.00 0.00 54 L 7.57 4.18 0.00 1.85 1.70 0.94 0.78 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 55 E 7.72 3.98 0.00 2.22 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 2.57 0.00 56 R 8.15 3.86 0.00 1.87 2.12 0.00 3.10 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 57 D 8.05 4.31 0.00 2.96 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 7.93 3.98 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 59 K 8.35 3.96 0.00 1.97 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.63 7.81 60 L 8.32 4.02 0.00 1.74 1.72 0.92 0.64 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 61 S 8.14 4.08 0.00 4.01 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 62 E 8.12 4.03 0.00 2.10 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 2.31 0.00 63 L 8.04 3.96 0.00 1.81 1.79 0.92 0.96 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 64 D 8.48 4.45 0.00 2.92 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 65 D 7.68 4.29 0.00 2.83 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 66 R 8.15 3.90 0.00 2.03 1.97 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 67 A 8.62 4.02 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 68 D 7.91 4.31 0.00 2.91 2.82 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 69 A 8.08 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 70 L 8.06 3.85 0.00 1.91 1.89 0.91 0.69 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 71 Q 8.10 3.94 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 72 A 7.96 4.10 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.91 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 74 A 8.43 4.19 1.45 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 75 S 8.02 4.05 0.00 4.14 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 76 Q 7.99 3.99 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 77 F 8.34 4.40 0.00 3.09 3.24 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 0.00 78 E 8.40 3.63 0.00 2.14 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 0.00 2.21 2.46 0.00 79 T 7.61 3.95 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 1.21 0.00 0.00 80 S 8.05 4.12 0.00 4.08 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 81 A 7.96 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.75 3.91 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 83 K 7.85 3.95 0.00 2.05 1.88 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.55 7.81 84 L 8.29 4.05 0.00 1.94 1.83 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.47 3.98 0.00 1.93 1.84 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.64 7.81 86 R 7.68 4.06 0.00 1.93 2.03 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 87 K 8.22 4.11 0.00 1.73 2.00 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.74 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.48 1.24 7.81 88 Y 7.85 2.85 0.00 2.64 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 0.00 0.00 0.00 89 W 7.48 4.52 0.00 3.65 3.37 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 90 W 6.57 4.63 0.00 3.14 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.05 4.38 0.00 1.63 1.59 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.24 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.69 1.23 7.81 92 N 8.62 4.53 0.00 2.69 2.73 0.00 0.00 6.90 7.56 0.00 0.00 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.