NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3218 8.4449 120.2264 56.0567 31.7526 176.1979 3 L 4.0762 8.4576 119.6112 51.6218 42.7650 174.4302 4 P 4.5330 0.0000 0.0000 62.4317 33.5470 177.2207 5 I 3.5989 8.3257 121.1270 64.2832 37.0706 178.6522 6 A 4.0059 7.9222 121.4244 54.6726 18.4372 177.6644 7 P 4.2278 0.0000 0.0000 65.7732 31.2574 178.9072 8 I 3.8544 7.3444 117.5814 64.2286 37.0229 178.6177 9 G 3.6537 8.0387 106.4303 47.9930 0.0000 175.9851 10 R 4.0187 8.0598 120.2873 58.9265 30.1191 179.2459 11 I 3.7516 7.5820 119.4467 64.3404 36.9254 178.5529 12 I 3.7718 7.5774 120.8873 64.1947 36.8548 178.5633 13 K 3.9641 8.1167 119.3718 59.7045 31.6976 179.1664 14 D 4.3407 8.1233 117.5487 56.7910 40.7832 177.8213 15 A 4.3282 7.4966 118.8095 51.9202 18.8868 177.6603 16 G 3.9593 8.1103 104.4609 44.8410 0.0000 174.6287 17 A 4.1314 7.5233 123.2721 52.3234 18.9751 177.8305 18 E 4.1952 8.7334 121.2694 58.5602 30.1038 177.3801 19 R 4.6778 7.5391 115.6563 54.4603 33.3739 173.9562 20 V 4.3879 8.0598 121.9070 60.3295 34.5719 175.9802 21 S 4.5269 8.4429 121.8808 57.7887 65.5156 174.8826 22 D 4.3675 8.5212 122.3941 57.6639 40.5309 178.5989 23 D 4.3186 8.1160 117.8482 57.1560 41.2369 178.0559 24 A 3.9870 7.8383 121.6305 54.9344 18.3744 179.7065 25 R 3.8357 7.8075 116.1259 59.5382 30.2259 179.3164 26 I 3.6873 7.8286 119.3198 64.6841 37.1310 178.5938 27 T 3.8528 8.0200 116.5383 66.7392 68.2660 176.5238 28 L 3.9906 7.9619 121.8053 57.8946 42.0329 178.8779 29 A 3.9784 8.0663 121.0726 54.9807 18.2999 179.7621 30 K 3.9535 8.1693 117.0419 59.7176 31.9012 179.7502 31 I 3.9565 7.5495 119.0940 64.2513 37.0649 178.2086 32 L 4.1305 7.9941 119.4074 57.6020 41.7493 178.7380 33 E 4.1373 8.2361 119.2929 59.2336 29.5291 179.5192 34 E 3.9291 8.0326 115.6380 57.0261 29.3990 179.0815 *36 G 3.8760 8.0282 109.9715 45.8191 0.0000 176.2397 37 R 3.9089 8.0410 119.6116 58.9531 30.0139 178.9277 38 D 4.3736 8.1083 118.7542 57.4160 40.7376 178.9235 39 I 3.7156 7.7269 119.6314 64.2625 37.1901 178.1898 40 A 3.9659 8.2182 121.7970 55.2076 17.7084 179.6410 41 S 4.0458 8.1889 111.7032 61.4623 62.4643 176.0546 42 E 3.9483 8.1496 121.4834 59.1079 29.3027 178.5694 43 A 4.0344 8.3002 121.1218 55.0648 18.4760 179.6662 44 I 3.6426 7.8830 118.3413 64.5829 37.2786 178.7953 45 K 4.0182 7.7357 118.4860 59.3455 31.6557 179.4245 46 L 3.9690 8.0615 119.0276 57.8610 41.5729 179.4186 47 A 4.0043 8.3129 120.9268 55.1271 18.2526 179.6953 48 R 3.9548 7.9219 116.8962 59.8696 29.9743 178.2678 49 H 4.2338 8.1853 116.5517 58.2542 29.8172 176.0023 50 A 4.5840 7.3839 120.8684 51.3235 18.9618 177.1977 51 G 3.8429 7.9738 106.1169 46.8907 0.0000 174.1537 52 R 4.7372 7.9840 116.9519 54.0855 33.0715 175.9054 53 K 4.3710 8.4745 118.1838 57.1671 33.5952 177.0313 54 T 4.3143 7.6885 115.6821 62.4513 69.3256 174.2219 55 I 4.1998 8.2238 127.3078 60.6586 38.0669 175.3465 56 K 4.6144 9.2962 123.6485 53.8786 35.3279 177.0696 57 A 4.0184 8.4781 121.3084 55.4053 18.0013 179.6945 58 E 3.9782 8.1434 115.7670 59.5722 29.6655 179.0060 59 D 4.3322 7.8887 119.8999 57.1982 40.7991 178.7700 60 I 3.6989 7.6707 119.7484 64.3601 37.0755 178.1208 61 E 3.9329 8.1632 119.3350 59.4832 29.3228 179.2954 62 L 3.9521 8.1878 120.2095 58.0208 41.8916 178.8022 63 A 4.0232 8.0084 120.1199 55.2450 18.3713 179.7525 64 V 3.7254 7.8700 110.2862 64.5546 31.7511 178.7746 65 R 4.1277 7.9172 117.9264 58.5052 29.5834 177.5172 66 R 4.5953 7.5956 118.9728 57.2863 31.2993 177.8349 *67 F 4.5657 7.9190 117.8435 55.3286 41.1224 178.0772 68 K 4.3950 7.7755 122.8382 57.1723 32.2246 175.8876 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 E 8.44 4.32 0.00 1.97 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 2.32 2.29 0.00 3 L 8.46 4.08 0.00 1.63 1.60 0.97 0.77 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 4 P 0.00 4.53 0.00 2.21 2.17 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 5 I 8.33 3.60 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 1.57 1.34 0.91 0.00 0.00 6 A 7.92 4.01 1.31 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 0.00 0.00 0.00 7 P 0.00 4.23 0.00 2.17 2.11 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 8 I 7.34 3.85 2.02 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 1.62 1.00 0.96 0.00 0.00 9 G 8.04 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.06 4.02 0.00 2.03 1.99 0.00 3.13 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 11 I 7.58 3.75 2.06 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 1.14 0.91 0.00 0.00 12 I 7.58 3.77 2.01 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 1.34 0.91 0.00 0.00 13 K 8.12 3.96 0.00 1.94 1.86 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.63 7.81 14 D 8.12 4.34 0.00 2.81 2.73 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 0.00 0.00 0.00 0.00 15 A 7.50 4.33 1.30 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 0.00 0.00 16 G 8.11 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 0.00 0.00 0.00 17 A 7.52 4.13 1.23 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 0.00 0.00 0.00 18 E 8.73 4.20 0.00 1.97 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 2.31 2.29 0.00 19 R 7.54 4.68 0.00 1.70 1.72 0.00 3.18 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 20 V 8.06 4.39 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 0.92 0.00 0.00 0.93 0.00 0.00 21 S 8.44 4.53 0.00 4.09 3.97 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 0.00 0.00 0.00 0.00 22 D 8.52 4.37 0.00 2.78 2.76 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 23 D 8.12 4.32 0.00 2.71 2.66 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 0.00 0.00 0.00 0.00 24 A 7.84 3.99 1.31 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 0.00 0.00 0.00 25 R 7.81 3.84 0.00 2.09 1.99 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 26 I 7.83 3.69 2.07 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 0.89 0.91 0.00 0.00 27 T 8.02 3.85 4.26 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 1.21 0.00 0.00 28 L 7.96 3.99 0.00 1.77 1.66 0.92 1.10 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 29 A 8.07 3.98 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 30 K 8.17 3.95 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 31 I 7.55 3.96 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 1.52 0.46 0.91 0.00 0.00 32 L 7.99 4.13 0.00 1.60 1.73 0.92 1.16 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 33 E 8.24 4.14 0.00 2.12 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 0.00 2.31 2.35 0.00 34 E 8.03 3.93 0.00 2.21 1.95 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 2.33 2.57 0.00 *36 G 8.03 3.88 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 0.00 0.00 0.00 37 R 8.04 3.91 0.00 2.03 1.99 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 38 D 8.11 4.37 0.00 2.70 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 39 I 7.73 3.72 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 1.57 0.63 0.91 0.00 0.00 40 A 8.22 3.97 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 41 S 8.19 4.05 0.00 3.91 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 42 E 8.15 3.95 0.00 2.12 2.05 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 2.30 2.36 0.00 43 A 8.30 4.03 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 44 I 7.88 3.64 2.04 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 0.98 0.91 0.00 0.00 45 K 7.74 4.02 0.00 1.94 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.68 7.81 46 L 8.06 3.97 0.00 1.85 1.73 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.31 4.00 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 48 R 7.92 3.95 0.00 2.07 2.11 0.00 3.12 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 49 H 8.19 4.23 0.00 3.23 3.52 0.00 5.79 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.38 4.58 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.97 3.84 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 0.00 0.00 0.00 52 R 7.98 4.74 0.00 1.91 1.81 0.00 3.14 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 1.54 1.71 0.00 53 K 8.47 4.37 0.00 1.73 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.43 7.81 54 T 7.69 4.31 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 55 I 8.22 4.20 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 1.42 0.75 0.91 0.00 0.00 56 K 9.30 4.61 0.00 1.84 1.69 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.34 7.81 57 A 8.48 4.02 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 58 E 8.14 3.98 0.00 2.21 2.23 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 2.36 2.40 0.00 59 D 7.89 4.33 0.00 2.78 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 60 I 7.67 3.70 2.01 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 1.81 0.88 0.91 0.00 0.00 61 E 8.16 3.93 0.00 1.99 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 0.00 2.52 2.46 0.00 62 L 8.19 3.95 0.00 1.85 1.71 0.92 1.25 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 63 A 8.01 4.02 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 64 V 7.87 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 0.82 0.00 0.00 1.02 0.00 0.00 65 R 7.92 4.13 0.00 1.94 1.97 0.00 3.11 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 66 R 7.60 4.60 0.00 1.90 1.93 0.00 3.20 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 *67 F 7.92 4.57 0.00 2.25 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 0.00 0.00 0.00 0.00 68 K 7.78 4.39 0.00 1.86 1.91 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.