NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0502 8.0549 120.3943 62.5959 32.7027 174.3027 3 L 4.6459 8.1550 125.2720 51.1553 43.3953 175.9576 4 S 4.3976 9.0049 119.0601 58.0248 65.9497 174.9329 5 Q 3.9529 8.6183 123.1756 59.1840 28.7405 178.6846 6 R 3.9333 7.9500 116.7631 59.5523 29.4768 178.7566 7 Q 4.0461 8.0830 119.1649 58.4677 28.6406 178.8744 8 R 3.9482 8.2264 119.9791 59.5176 30.1702 178.3342 9 D 4.3920 8.4887 119.1309 57.2798 40.7873 178.6482 10 E 4.1306 8.3900 119.1911 59.2632 29.4307 179.0471 11 L 4.0362 8.3485 120.7496 58.4404 42.1149 178.8618 12 N 4.6094 8.6662 116.7907 56.4615 38.4370 177.6371 13 R 3.7523 8.1278 119.3135 59.0599 29.9940 178.9943 14 A 4.1856 8.2143 120.6324 55.1404 18.3670 179.7652 15 I 3.6386 8.2502 118.4542 64.4115 37.2043 178.2343 16 A 4.3335 8.5021 121.9258 55.5602 18.3142 179.0297 17 D 4.3464 8.4144 116.3386 57.7775 41.2842 177.7971 18 Y 4.0023 8.2275 119.8382 60.7520 38.7237 178.2181 19 L 4.1514 8.3835 119.8721 57.8600 41.8387 179.4658 20 R 3.6438 8.0515 118.8961 59.3522 29.7261 178.7065 21 S 3.9984 7.7916 112.9000 61.1858 63.0489 175.3825 22 N 4.2125 7.4077 117.1982 52.8421 38.4385 175.9443 23 G 3.6667 7.2900 108.7283 46.1919 0.0000 175.2438 24 Y 4.7203 7.2417 119.6824 56.8111 34.4939 175.8490 25 E 4.0233 7.9112 123.5354 59.0360 30.4117 177.4134 26 E 3.9811 8.2644 118.8914 59.1992 29.7865 178.3423 27 A 4.0350 8.1309 120.3958 55.3018 18.3961 178.6892 28 Y 4.1241 8.4359 118.1158 60.9330 39.0341 178.1793 29 S 3.9434 8.3179 113.9072 61.5643 62.4640 176.3673 30 V 3.5954 7.9791 120.8222 65.9765 31.1979 177.7862 31 F 4.2526 8.5588 120.7635 61.0676 39.1794 176.9670 32 K 3.5130 8.0008 119.4492 59.2803 31.9936 178.9912 33 K 3.8553 7.7476 118.1987 59.5567 31.8091 179.3101 34 E 3.9371 8.1066 117.4203 58.6881 29.4535 178.3081 35 A 4.1317 7.7293 118.2278 50.6921 20.2461 176.4564 36 E 3.5628 7.2965 116.0763 57.0373 27.5773 175.2453 37 L 4.4454 7.8282 117.1185 53.2377 43.3770 176.6465 38 D 4.7597 8.3217 123.4789 52.3483 43.3709 175.8802 *40 N 4.6213 8.2620 120.0211 52.5890 39.6167 175.0873 41 E 4.1050 8.6294 117.7858 58.9130 29.5125 178.4787 42 E 4.0539 8.2335 120.5181 59.3226 29.9312 178.1128 43 L 4.0377 8.5182 120.6476 58.3052 42.0512 178.2598 44 D 4.5629 8.2857 117.9534 57.4072 41.0283 178.2857 45 K 3.9298 7.8860 118.6785 59.6311 31.8594 179.0463 46 K 4.1571 8.1068 116.9839 58.2240 32.2898 177.2400 47 Y 4.4504 8.1432 115.7182 57.2194 38.9630 175.2775 48 A 5.1216 7.1075 122.8750 52.8070 18.8822 178.2133 49 G 3.9941 9.5268 110.9424 46.2170 0.0000 175.3282 50 L 4.0038 8.1839 122.8103 57.8438 42.0360 178.6771 51 L 4.0303 8.0101 119.8911 58.3079 42.0870 178.6483 52 E 4.0818 8.2984 118.0870 59.1456 29.3625 179.0892 53 K 3.9639 8.1530 119.7259 59.4565 32.3431 178.7832 54 K 3.9625 8.2651 119.9116 59.1696 32.1091 178.4619 55 W 4.1432 8.4821 128.8967 60.7592 30.7209 178.0820 56 T 3.9273 8.3756 109.8808 64.9380 68.2529 176.4736 57 S 4.0911 8.3960 118.5443 61.4424 62.8832 177.0493 58 V 3.5481 7.7628 120.7109 65.9373 31.2123 178.1645 59 I 3.8135 7.5845 121.0229 63.6878 36.9218 178.4179 60 R 3.8532 7.8868 119.5722 59.3303 29.8299 178.6072 61 L 3.9869 7.9314 118.8851 57.8866 41.7154 179.5097 62 Q 3.9350 8.4113 118.4539 58.8662 28.3688 178.9964 63 K 4.1118 8.0019 118.8689 59.1798 32.3304 179.3140 64 K 4.1871 7.8973 118.9200 59.0999 31.8590 180.0961 65 V 3.6695 7.7843 115.6214 63.7645 31.2965 177.3349 *67 E 4.2873 8.1680 118.7471 55.9405 31.6612 178.3207 68 L 4.0060 8.1041 118.6955 57.8590 41.5569 179.3371 69 E 4.0213 8.5752 119.2180 59.2843 29.3163 179.6286 70 S 4.1250 7.9401 114.0093 61.4214 62.8230 176.6051 71 K 4.0234 7.9599 121.6916 58.8643 31.5321 179.0391 72 L 4.1144 7.7020 119.9771 57.7131 42.0588 178.3905 73 N 4.5178 8.1178 116.7344 56.1063 38.6228 176.9564 74 E 4.0985 8.0661 117.8126 58.9373 29.8399 177.2426 75 A 4.2698 7.4022 124.4330 52.2778 18.6068 176.8414 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 2 V 8.05 4.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.94 0.00 0.00 3 L 8.15 4.65 0.00 1.76 1.59 0.95 0.63 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 4 S 9.00 4.40 0.00 4.07 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 5 Q 8.62 3.95 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 6 R 7.95 3.93 0.00 2.11 2.20 0.00 3.04 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 7 Q 8.08 4.05 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 8 R 8.23 3.95 0.00 1.89 2.04 0.00 3.11 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 9 D 8.49 4.39 0.00 2.77 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 10 E 8.39 4.13 0.00 2.26 2.19 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 2.56 2.60 0.00 11 L 8.35 4.04 0.00 1.85 1.95 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.67 4.61 0.00 2.83 2.89 0.00 0.00 7.09 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.13 3.75 0.00 1.33 0.76 0.00 2.68 0.00 0.00 2.71 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.55 0.00 14 A 8.21 4.19 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.25 3.64 2.08 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 1.32 0.69 0.44 0.00 0.00 16 A 8.50 4.33 1.58 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 17 D 8.41 4.35 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.23 4.00 0.00 3.23 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.38 4.15 0.00 2.17 1.95 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.05 3.64 0.00 0.96 1.61 0.00 2.52 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.39 0.00 21 S 7.79 4.00 0.00 3.95 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 22 N 7.41 4.21 0.00 2.02 1.98 0.00 0.00 7.20 7.73 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 23 G 7.29 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.24 4.72 0.00 3.14 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 25 E 7.91 4.02 0.00 2.07 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 2.40 2.51 0.00 26 E 8.26 3.98 0.00 2.13 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 2.42 2.41 0.00 27 A 8.13 4.03 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 28 Y 8.44 4.12 0.00 3.14 3.26 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 0.00 0.00 0.00 0.00 29 S 8.32 3.94 0.00 4.04 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 30 V 7.98 3.60 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 1.05 0.00 0.00 0.97 0.00 0.00 31 F 8.56 4.25 0.00 3.14 3.18 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 0.00 0.00 0.00 32 K 8.00 3.51 0.00 1.42 1.67 0.00 1.58 0.00 0.00 1.19 0.00 0.00 2.42 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.48 7.81 33 K 7.75 3.86 0.00 1.98 1.78 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.52 7.81 34 E 8.11 3.94 0.00 2.03 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 2.33 2.32 0.00 35 A 7.73 4.13 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.30 3.56 0.00 2.03 1.90 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 0.00 2.29 2.17 0.00 37 L 7.83 4.45 0.00 1.40 1.45 0.73 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.32 4.76 0.00 2.60 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *40 N 8.26 4.62 0.00 3.05 3.05 0.00 0.00 5.96 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 41 E 8.63 4.10 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 42 E 8.23 4.05 0.00 2.12 2.13 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 2.40 2.45 0.00 43 L 8.52 4.04 0.00 1.95 1.74 0.96 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.29 4.56 0.00 3.00 2.90 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 0.00 0.00 0.00 0.00 45 K 7.89 3.93 0.00 2.01 1.88 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.80 7.81 46 K 8.11 4.16 0.00 1.65 1.60 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.49 7.81 47 Y 8.14 4.45 0.00 3.18 3.06 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 0.00 0.00 0.00 0.00 48 A 7.11 5.12 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.53 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 0.00 0.00 0.00 50 L 8.18 4.00 0.00 1.83 1.94 0.95 0.36 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 51 L 8.01 4.03 0.00 1.99 1.71 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.30 4.08 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.66 0.00 53 K 8.15 3.96 0.00 1.97 2.02 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.48 7.81 54 K 8.27 3.96 0.00 2.05 2.07 0.00 1.61 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.57 7.81 55 W 8.48 4.14 0.00 3.53 3.21 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 0.00 0.00 0.00 0.00 56 T 8.38 3.93 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 57 S 8.40 4.09 0.00 4.04 3.96 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 0.00 0.00 0.00 58 V 7.76 3.55 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 0.90 0.00 0.00 0.91 0.00 0.00 59 I 7.58 3.81 1.68 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.24 0.81 0.00 0.00 60 R 7.89 3.85 0.00 1.88 2.06 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 61 L 7.93 3.99 0.00 1.82 1.66 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.41 3.93 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 63 K 8.00 4.11 0.00 1.84 1.85 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.65 7.81 64 K 7.90 4.19 0.00 2.00 1.83 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.65 7.81 65 V 7.78 3.67 2.19 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 1.09 0.00 0.00 0.93 0.00 0.00 *67 E 8.17 4.29 0.00 2.22 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 2.29 2.43 0.00 68 L 8.10 4.01 0.00 1.84 1.70 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.58 4.02 0.00 1.94 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 2.57 2.43 0.00 70 S 7.94 4.13 0.00 4.04 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 71 K 7.96 4.02 0.00 1.83 1.89 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.44 7.81 72 L 7.70 4.11 0.00 1.86 1.86 0.92 1.09 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 73 N 8.12 4.52 0.00 2.89 2.85 0.00 0.00 7.04 7.96 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 74 E 8.07 4.10 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 2.40 2.49 0.00 75 A 7.40 4.27 1.35 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.