NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.3129 8.0433 122.4911 54.6901 42.8278 181.3234 1 C 4.3286 9.2763 113.6722 59.1133 39.9315 173.9390 2 S 3.8700 8.2276 114.2629 59.7480 63.8095 173.3718 3 L 4.3124 7.8006 123.3878 53.6291 41.7333 175.5155 4 D 4.1337 9.3227 129.2567 55.5128 39.8474 173.1306 5 N 4.0689 8.2661 109.2612 53.4540 37.6757 174.2857 6 G 3.8119 8.6767 101.2387 45.6606 0.0000 174.6228 7 D 4.4587 8.1979 115.7010 54.4893 40.4137 173.3591 8 C 4.5947 7.8817 114.5411 56.8338 40.9516 173.7619 9 D 4.5188 8.6188 123.2384 57.0333 42.0051 177.3831 10 Q 4.4583 7.3278 112.3388 55.6367 30.8316 179.5315 11 F 4.6828 7.0450 127.9100 58.6490 40.0915 172.3048 12 C 5.5407 8.9429 122.5262 55.2176 44.2304 172.5726 13 H 5.1163 9.5213 122.5863 54.0439 32.8831 172.5693 14 E 4.8879 8.8277 120.2295 55.0915 30.9198 175.2628 15 E 4.5658 9.2990 125.6287 55.5634 31.4884 176.7495 16 Q 3.3724 9.4142 122.8115 57.1399 26.4267 172.7308 17 N 4.2109 8.4360 109.9718 54.3256 37.7162 173.1223 18 S 4.6458 7.8001 108.5296 55.9798 65.9789 172.4940 19 V 4.4326 8.2897 125.5887 62.6989 32.2447 175.4146 20 V 4.4838 9.2952 127.9088 60.1795 33.7596 174.0618 21 C 5.3892 8.8989 122.8822 56.0442 36.1567 172.7326 22 S 4.8109 8.9657 115.6003 57.4382 66.8161 171.7385 23 C 4.9649 8.5376 115.8119 54.5461 38.5872 174.1550 24 A 4.4827 8.7567 124.4198 51.4201 18.7960 177.2250 25 R 3.9987 8.4644 119.7243 58.3770 30.5160 176.8435 26 G 3.9366 9.2839 112.1020 45.3733 0.0000 171.8621 27 Y 5.2721 7.6532 116.0654 56.0806 41.4334 175.1340 28 T 4.7605 8.9324 112.0899 59.5189 72.2656 172.9118 29 L 4.5667 8.5195 125.8254 54.9213 42.8610 176.4822 30 A 4.2731 9.1728 128.6236 51.5919 19.4221 177.9646 31 D 4.3013 8.8263 118.9604 57.6534 40.8493 178.1160 32 N 4.4238 8.1435 113.5772 53.1286 37.5512 175.5165 33 G 3.9736 8.3911 107.3136 46.3593 0.0000 173.7882 34 K 4.4881 8.5436 117.5943 57.6751 35.0882 176.8104 35 A 4.7947 8.2657 121.1429 52.1096 19.9130 176.5381 36 C 5.3267 9.2301 118.2639 55.3222 39.9541 173.5974 37 I 4.5632 8.9843 125.7483 58.8785 38.6613 173.7955 38 P 4.1869 0.0000 0.0000 63.0032 31.5694 176.3608 39 T 4.1354 8.6051 118.0894 62.5491 67.8643 172.1236 *41 P 3.8442 0.0000 0.0000 63.7697 32.7781 175.0927 42 Y 3.6971 7.5895 112.4883 58.5583 34.5916 169.3814 43 P 4.3023 0.0000 0.0000 62.1300 32.6515 176.2232 44 C 4.0860 8.4707 115.0817 59.9682 29.8206 174.1754 45 G 3.9659 8.9329 109.1775 45.7772 0.0000 173.0149 46 K 4.6209 7.4552 118.0831 53.9777 33.9043 176.4904 47 Q 4.1503 8.6454 122.8598 56.2847 29.2943 176.1870 48 T 4.4471 8.3681 112.0134 61.1522 70.0081 174.5019 49 L 4.6225 8.4998 123.1433 55.1448 43.7047 176.3482 50 E 4.2930 7.9816 121.9509 56.5812 30.5635 174.8952 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 0 L 8.04 4.31 0.00 1.74 1.25 0.92 0.69 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 1 C 9.28 4.33 0.00 3.20 3.13 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 2 S 8.23 3.87 0.00 3.86 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.80 4.31 0.00 1.75 1.56 0.92 1.17 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 4 D 9.32 4.13 0.00 2.84 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.27 4.07 0.00 2.99 2.80 0.00 0.00 7.58 7.90 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 6 G 8.68 3.81 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 0.00 0.00 0.00 7 D 8.20 4.46 0.00 2.82 2.78 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 0.00 0.00 0.00 0.00 8 C 7.88 4.59 0.00 3.10 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 9 D 8.62 4.52 0.00 2.68 2.56 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 10 Q 7.33 4.46 0.00 1.46 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.93 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 11 F 7.04 4.68 0.00 3.12 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 12 C 8.94 5.54 0.00 3.15 2.96 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 13 H 9.52 5.12 0.00 3.11 3.16 0.00 5.83 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.83 4.89 0.00 1.84 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 2.23 2.32 0.00 15 E 9.30 4.57 0.00 1.96 1.84 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 2.23 2.26 0.00 16 Q 9.41 3.37 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 17 N 8.44 4.21 0.00 2.84 2.87 0.00 0.00 6.92 7.63 0.00 0.00 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 S 7.80 4.65 0.00 3.85 3.73 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 19 V 8.29 4.43 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 0.87 0.00 0.00 0.94 0.00 0.00 20 V 9.30 4.48 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.94 0.00 0.00 21 C 8.90 5.39 0.00 3.02 3.04 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 22 S 8.97 4.81 0.00 3.97 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 23 C 8.54 4.96 0.00 2.81 2.78 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 0.00 0.00 0.00 0.00 24 A 8.76 4.48 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 25 R 8.46 4.00 0.00 1.87 1.95 0.00 3.30 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 26 G 9.28 3.94 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 0.00 0.00 0.00 27 Y 7.65 5.27 0.00 2.85 2.78 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 0.00 0.00 0.00 0.00 28 T 8.93 4.76 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 1.23 0.00 0.00 29 L 8.52 4.57 0.00 1.67 1.63 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.17 4.27 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 31 D 8.83 4.30 0.00 2.66 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 32 N 8.14 4.42 0.00 2.81 2.93 0.00 0.00 6.01 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.39 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 0.00 0.00 0.00 34 K 8.54 4.49 0.00 1.79 1.94 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.53 7.81 35 A 8.27 4.79 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 36 C 9.23 5.33 0.00 2.61 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 37 I 8.98 4.56 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.92 0.91 0.00 0.00 38 P 0.00 4.19 0.00 1.75 1.59 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 39 T 8.61 4.14 4.18 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 1.17 0.00 0.00 *41 P 0.00 3.84 0.00 1.37 1.82 0.00 3.96 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 42 Y 7.59 3.70 0.00 3.16 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 43 P 0.00 4.30 0.00 1.78 1.64 0.00 3.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.78 0.00 44 C 8.47 4.09 0.00 3.20 3.09 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 0.00 0.00 0.00 45 G 8.93 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 0.00 0.00 0.00 46 K 7.46 4.62 0.00 1.83 1.77 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.60 7.81 47 Q 8.65 4.15 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 48 T 8.37 4.45 4.45 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 1.37 0.00 0.00 49 L 8.50 4.62 0.00 1.63 1.74 0.92 0.87 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 50 E 7.98 4.29 0.00 1.91 1.81 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 2.22 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.