NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.3153 8.0433 122.7520 54.8135 44.1064 175.0614 10 L 4.5626 8.3328 123.1732 53.4831 42.7513 174.7920 11 L 4.9630 8.3010 122.5379 52.7732 46.6533 175.2156 12 E 4.8652 8.0581 115.9246 54.6927 31.9419 174.9780 13 C 5.1903 8.6951 123.2099 59.4958 29.5943 172.7509 14 T 4.9004 8.6435 118.3879 60.4216 69.1381 174.3677 15 E 3.7560 8.6911 127.1345 55.3231 29.4094 173.8263 16 C 3.7624 8.5122 114.0630 59.4060 30.4413 173.3570 17 K 4.4120 8.9342 120.8614 57.0542 30.2436 175.3337 18 R 4.5602 7.1437 120.9972 55.2353 30.4758 175.3846 19 R 4.1511 8.2449 123.6499 56.6926 31.8615 173.8842 20 N 3.9400 8.3001 118.8242 53.4906 38.8449 171.5073 21 Y 5.5211 8.2216 115.1295 57.8928 42.0457 174.3691 22 A 4.1370 8.5623 122.3130 52.0228 20.3126 174.3050 23 T 3.5252 7.9422 110.2428 61.8798 68.0095 171.7908 24 E 4.5361 8.1642 128.2662 55.4558 29.7628 179.7385 25 K 4.3680 8.2377 125.4565 57.1784 35.1026 173.3379 26 N 5.0937 8.4581 125.8341 53.0483 39.3356 176.9594 27 K 4.4506 8.7142 123.2962 57.9520 36.6518 179.2880 28 R 3.2443 8.9773 120.4925 57.3300 31.2239 177.7844 29 N 4.0859 9.3671 111.5676 56.5442 39.0524 174.7123 30 T 3.6495 8.0918 117.2202 64.5665 67.7388 174.3344 31 P 3.9438 0.0000 0.0000 63.3329 27.4069 174.7983 32 N 5.1382 7.8557 122.6554 52.7421 41.2545 172.2839 33 K 4.1327 8.7646 117.4634 57.6602 31.9738 175.5801 34 L 3.5174 8.2834 119.4267 55.6978 39.0475 175.4073 35 E 4.2796 8.0244 118.5993 55.1045 29.8981 175.2042 36 L 4.8309 8.2282 126.9356 54.5951 42.8457 175.6563 37 R 4.7968 8.4392 122.1416 53.7002 34.2682 175.3132 38 K 4.4717 8.7188 123.1355 57.4332 33.0497 174.8401 39 Y 4.8746 8.8632 125.6481 57.2377 43.2051 172.4254 40 C 4.6340 7.1530 121.4664 56.6519 33.7801 171.6713 41 P 4.7406 0.0000 0.0000 61.9993 33.1152 175.1561 42 W 5.1458 8.8227 126.7559 57.8915 31.4834 176.0712 43 C 4.1282 7.8438 117.8085 59.1083 30.4707 174.1407 44 R 3.2869 8.6781 119.8491 57.1665 26.3291 176.1272 45 K 4.3300 8.0195 125.0474 55.8940 34.7380 178.6067 46 H 4.8778 8.6594 115.3081 56.2276 28.2974 176.9815 47 T 4.7469 6.9835 112.0936 61.2879 71.0694 175.1531 48 V 3.7888 8.3070 115.5688 62.6095 31.8421 176.6200 49 H 4.5663 8.0581 116.4567 55.1425 28.1131 173.0750 50 R 4.7818 7.8701 116.2070 54.8313 34.4626 174.6786 51 E 3.7847 9.0856 119.6044 57.3227 28.5980 176.3108 52 V 3.2223 5.4500 114.9731 63.0724 30.2735 171.0205 *53 K 4.1330 7.6505 124.0619 54.6141 32.2491 177.0875 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 4.32 0.00 1.73 1.58 0.90 0.29 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 10 L 8.33 4.56 0.00 1.61 1.54 0.90 0.58 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 11 L 8.30 4.96 0.00 1.47 1.46 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.06 4.87 0.00 1.74 1.76 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 1.86 1.92 0.00 13 C 8.70 5.19 0.00 2.81 2.95 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 14 T 8.64 4.90 4.66 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 1.30 0.00 0.00 15 E 8.69 3.76 0.00 1.86 1.82 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 2.21 2.18 0.00 16 C 8.51 3.76 0.00 3.31 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 17 K 8.93 4.41 0.00 1.92 1.93 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.34 1.38 7.81 18 R 7.14 4.56 0.00 1.65 1.37 0.00 3.31 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.92 0.00 19 R 8.24 4.15 0.00 1.77 1.83 0.00 3.19 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 20 N 8.30 3.94 0.00 2.81 2.77 0.00 0.00 6.68 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 21 Y 8.22 5.52 0.00 2.92 2.86 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 22 A 8.56 4.14 0.15 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 0.00 0.00 23 T 7.94 3.53 4.19 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 0.00 0.00 1.20 0.00 0.00 24 E 8.16 4.54 0.00 1.82 1.12 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 0.00 2.07 2.22 0.00 25 K 8.24 4.37 0.00 1.64 1.61 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.14 1.44 7.81 26 N 8.46 5.09 0.00 2.75 2.72 0.00 0.00 6.84 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 27 K 8.71 4.45 0.00 1.72 1.71 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.36 7.81 28 R 8.98 3.24 0.00 1.90 1.50 0.00 3.20 0.00 0.00 3.33 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 29 N 9.37 4.09 0.00 2.75 2.86 0.00 0.00 6.83 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 8.09 3.65 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 31 P 0.00 3.94 0.00 2.10 2.26 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 32 N 7.86 5.14 0.00 2.77 2.69 0.00 0.00 7.21 6.56 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 33 K 8.76 4.13 0.00 1.97 1.87 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 1.39 7.81 34 L 8.28 3.52 0.00 1.76 1.71 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.02 4.28 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 36 L 8.23 4.83 0.00 1.80 1.61 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.44 4.80 0.00 1.62 1.83 0.00 3.37 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 38 K 8.72 4.47 0.00 1.84 1.80 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.68 7.81 39 Y 8.86 4.87 0.00 2.85 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 0.00 0.00 0.00 0.00 40 C 7.15 4.63 0.00 2.98 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 4.74 0.00 2.35 2.17 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 42 W 8.82 5.15 0.00 3.11 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 43 C 7.84 4.13 0.00 3.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 3.29 0.00 1.88 2.10 0.00 3.28 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 45 K 8.02 4.33 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.86 0.00 0.00 3.25 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.48 1.47 7.81 46 H 8.66 4.88 0.00 3.24 2.48 0.00 5.47 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 6.98 4.75 4.13 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 1.27 0.00 0.00 48 V 8.31 3.79 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 0.83 0.00 0.00 0.96 0.00 0.00 49 H 8.06 4.57 0.00 3.43 3.34 0.00 5.89 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.87 4.78 0.00 1.82 1.83 0.00 3.30 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 51 E 9.09 3.78 0.00 2.10 1.92 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 2.34 2.23 0.00 52 V 5.45 3.22 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 0.63 0.00 0.00 0.99 0.00 0.00 *53 K 7.65 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.92 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.