NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.3093 8.0433 122.7537 54.9419 44.3575 175.1186 10 L 4.8578 8.3232 120.8851 51.5731 43.8002 174.6786 11 L 4.9407 8.3348 124.3657 52.6337 45.5814 175.1875 12 E 4.9625 8.8357 120.9557 54.9823 31.9429 175.0212 13 C 4.9059 8.4739 119.1645 58.4896 30.5063 172.2001 14 T 4.9066 8.2113 116.9888 58.8161 69.7412 171.9752 15 E 3.7147 8.2071 129.3663 56.4650 30.7854 175.3078 16 C 4.0427 8.5444 125.7819 64.3268 27.8311 173.2713 17 K 4.2387 8.8036 124.3585 55.7835 31.4812 176.0336 18 R 4.4722 7.6708 113.7139 56.9250 33.7347 172.8548 19 R 4.3013 8.2686 119.7645 54.9337 27.9718 179.5482 20 N 3.7819 9.2521 113.8616 54.9035 38.6685 171.0217 21 Y 5.5169 8.2257 115.3095 58.4957 41.8160 174.0776 22 A 4.3750 8.3191 119.1770 50.9736 21.7459 174.6925 23 T 3.3366 8.1599 105.3574 62.3033 67.8718 170.6758 24 E 4.6881 9.2805 132.7477 55.5867 33.9202 177.3532 25 K 5.0876 8.4937 125.3275 55.5238 34.8512 175.6268 26 N 4.5675 8.6619 124.3266 53.1275 40.1792 174.3715 27 K 4.6314 8.0703 115.9795 55.4699 34.6665 177.7837 28 R 3.8296 7.9362 122.1630 57.2649 28.4080 177.2044 29 N 4.3922 9.2790 123.4086 57.4130 38.4666 175.1556 30 T 3.8254 8.2917 106.9187 61.9472 69.0416 172.5303 31 P 3.9324 0.0000 0.0000 62.1800 28.8394 174.5697 32 N 4.7165 8.4179 119.3481 53.1350 41.7256 174.4165 33 K 4.0488 8.4485 118.9194 57.8268 31.5823 176.1659 34 L 3.4994 8.2055 121.1698 56.2106 40.1679 176.5657 35 E 4.2403 8.3872 120.3979 55.4829 28.5073 174.1799 36 L 5.1725 7.4060 123.8249 52.8330 43.5221 176.2728 37 R 4.3907 8.1284 115.5862 55.0188 34.9716 174.3220 38 K 4.3432 9.0842 125.5139 55.5604 32.6082 174.8607 39 Y 4.7563 8.2803 128.5533 56.7751 38.8398 177.1761 40 C 4.6073 6.9169 114.2347 57.9346 32.7882 170.5568 41 P 5.1909 0.0000 0.0000 59.7674 33.1583 176.0897 42 W 4.8927 8.7402 129.4595 60.6178 31.1781 177.1025 43 C 4.3911 7.3652 117.1646 59.5485 25.1393 168.4817 44 R 3.8721 7.7719 127.0566 54.9815 30.4558 177.0412 45 K 4.2668 8.4078 121.5880 56.3417 32.8736 177.1398 46 H 4.6026 8.5451 116.5544 55.4075 30.4401 173.6447 47 T 4.6776 8.3221 115.5708 62.3419 71.2074 174.8976 48 V 4.0460 8.1686 119.5463 61.3757 32.9831 172.3952 49 H 4.8820 8.0130 122.9858 54.4229 29.6960 173.3046 50 R 5.1856 7.8546 119.1584 56.0708 31.3689 175.4910 51 E 4.7153 8.2679 126.1526 57.7716 29.4031 175.9640 52 V 3.3951 8.7308 128.4902 63.1793 31.4278 170.7498 *53 K 4.1330 8.3740 121.8002 54.7540 32.2491 173.8032 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 9 L 8.04 4.31 0.00 1.74 1.61 0.92 0.24 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 10 L 8.32 4.86 0.00 1.58 1.54 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.33 4.94 0.00 1.51 1.53 1.08 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.84 4.96 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 2.37 1.92 0.00 13 C 8.47 4.91 0.00 2.76 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 14 T 8.21 4.91 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 1.19 0.00 0.00 15 E 8.21 3.71 0.00 2.06 1.77 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 2.26 2.29 0.00 16 C 8.54 4.04 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.80 4.24 0.00 1.76 2.12 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.23 1.20 7.81 18 R 7.67 4.47 0.00 1.87 1.76 0.00 3.26 0.00 0.00 3.25 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 19 R 8.27 4.30 0.00 2.05 1.30 0.00 3.26 0.00 0.00 3.29 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 20 N 9.25 3.78 0.00 2.92 2.73 0.00 0.00 6.69 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 21 Y 8.23 5.52 0.00 2.95 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 22 A 8.32 4.37 0.34 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 23 T 8.16 3.34 4.21 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 1.19 0.00 0.00 24 E 9.28 4.69 0.00 1.83 1.68 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 0.00 2.07 2.27 0.00 25 K 8.49 5.09 0.00 1.56 1.69 0.00 1.79 0.00 0.00 2.27 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.25 7.81 26 N 8.66 4.57 0.00 2.73 2.75 0.00 0.00 7.01 6.68 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 27 K 8.07 4.63 0.00 1.72 1.73 0.00 1.94 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.35 7.81 28 R 7.94 3.83 0.00 1.96 1.05 0.00 3.38 0.00 0.00 3.22 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 29 N 9.28 4.39 0.00 2.71 2.88 0.00 0.00 6.76 7.54 0.00 0.00 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 T 8.29 3.83 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 31 P 0.00 3.93 0.00 2.10 2.11 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 32 N 8.42 4.72 0.00 2.58 2.88 0.00 0.00 7.57 6.68 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 33 K 8.45 4.05 0.00 1.85 2.14 0.00 1.97 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.29 1.30 7.81 34 L 8.21 3.50 0.00 1.72 1.66 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.39 4.24 0.00 2.10 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 2.30 2.29 0.00 36 L 7.41 5.17 0.00 1.66 1.60 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.13 4.39 0.00 1.61 1.84 0.00 3.37 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 38 K 9.08 4.34 0.00 1.82 1.81 0.00 1.60 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.58 7.81 39 Y 8.28 4.76 0.00 2.64 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 C 6.92 4.61 0.00 2.37 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 0.00 0.00 0.00 41 P 0.00 5.19 0.00 2.36 2.20 0.00 3.93 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.10 0.00 42 W 8.74 4.89 0.00 3.14 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 43 C 7.37 4.39 0.00 3.50 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 44 R 7.77 3.87 0.00 1.94 1.95 0.00 3.33 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 45 K 8.41 4.27 0.00 1.77 1.81 0.00 2.11 0.00 0.00 2.09 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.43 7.81 46 H 8.55 4.60 0.00 3.29 3.32 0.00 5.48 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.32 4.68 4.34 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 1.15 0.00 0.00 48 V 8.17 4.05 2.12 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 0.91 0.00 0.00 0.96 0.00 0.00 49 H 8.01 4.88 0.00 3.63 3.36 0.00 6.03 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.85 5.19 0.00 1.79 1.27 0.00 3.52 0.00 0.00 3.31 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 51 E 8.27 4.72 0.00 1.94 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 2.21 2.26 0.00 52 V 8.73 3.40 2.31 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 0.84 0.00 0.00 1.01 0.00 0.00 *53 K 8.37 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.