NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.9331 8.1776 116.7467 57.8169 64.7123 172.5651 7 Y 5.0581 7.3327 118.9139 54.5497 41.7669 170.6313 8 E 4.4383 9.6024 122.3046 54.6319 33.9659 175.3195 9 I 4.2084 8.2714 127.8413 61.0333 37.1083 175.5429 10 L 4.2726 8.7294 128.4986 56.5216 42.8261 177.2374 11 E 4.5489 7.6551 118.1680 54.7860 33.3596 174.0437 12 E 4.5557 8.6603 126.4892 55.5897 29.5002 175.9911 13 V 4.0048 8.5696 125.8416 65.2589 32.5165 176.0720 14 A 4.6180 7.7425 118.8727 50.9437 22.5840 175.1492 15 V 4.5765 8.3401 120.3258 61.6156 32.2723 175.5604 16 L 4.5069 9.4503 129.5032 57.1493 42.5182 176.8116 17 S 4.8956 7.8575 111.4835 57.0543 67.1196 173.0165 18 E 4.7440 8.4667 116.9722 54.6543 32.0067 174.7397 19 N 4.7317 9.0661 121.9722 52.4027 40.1768 174.8240 20 A 4.1385 8.4563 125.1257 54.9084 18.7029 178.5770 21 R 4.2875 7.9334 113.4293 56.5125 30.1521 176.7155 22 G 4.1828 8.3018 105.2899 45.4045 0.0000 174.2023 23 W 4.6710 8.4553 119.9799 56.6856 30.5567 175.4663 24 R 5.2103 9.2798 122.6857 54.2917 33.5303 174.5639 25 K 4.9325 8.5707 124.3349 55.6973 33.7115 175.2947 26 E 5.3036 9.7635 126.7816 54.5360 34.2625 174.4194 27 L 5.1781 9.1409 125.2170 53.9467 43.8842 175.0823 28 N 5.5103 9.4357 123.0892 51.5252 43.6423 173.0795 29 L 4.8724 8.7146 120.7344 53.3936 43.8039 175.9848 30 I 4.7893 8.6979 124.4800 59.4195 41.2545 174.1724 31 S 4.7828 8.6476 121.6895 56.6899 64.3645 172.5294 32 W 4.9977 8.7930 126.7894 55.4087 31.1240 175.9318 33 N 4.0757 10.5237 124.1059 54.4387 36.2297 175.1549 34 G 3.8427 7.6697 103.2286 46.3654 0.0000 174.7661 35 R 4.4650 7.5943 118.5620 53.5480 31.6917 174.3863 36 P 4.4957 0.0000 0.0000 62.2547 31.6427 175.2010 37 P 4.5928 0.0000 0.0000 63.0753 32.1824 175.5617 38 K 4.7051 9.0931 119.9347 54.2779 36.3187 175.9555 39 F 4.6597 8.5329 121.4044 58.0547 40.4123 173.8569 40 D 5.2641 9.3140 121.2306 53.0280 45.1464 173.7096 41 L 5.3617 8.8630 125.8920 53.4117 44.4629 175.4745 42 R 4.8982 8.7290 122.2113 55.5363 34.2621 173.0950 43 E 5.0852 8.8468 123.9750 55.4743 30.6718 176.0947 44 W 4.8696 9.6333 123.7210 54.4598 33.1267 175.2546 45 A 2.8166 7.6415 125.6222 49.8237 19.4955 175.1777 46 P 4.2084 0.0000 0.0000 64.4658 31.5575 176.7781 47 D 4.1493 9.0426 118.4680 54.8000 38.3594 173.6864 48 H 4.2116 7.8946 113.6402 56.5423 26.9398 175.1441 49 E 4.0995 7.9444 122.7233 59.0395 30.1486 176.5685 50 K 4.2825 7.3786 120.2316 55.2328 34.4690 172.4574 *52 G 4.2601 8.3621 103.0146 46.3868 0.0000 172.2661 53 K 4.2622 8.6354 122.4721 56.4128 33.9058 178.0605 54 G 4.1164 7.8603 110.1776 46.8396 0.0000 171.7144 55 I 4.7949 8.5838 119.1758 59.8679 41.7015 175.1201 56 T 5.0018 8.5405 124.9123 62.7621 70.0328 173.9728 57 L 5.1898 8.7654 124.9381 52.9112 44.5047 176.9653 58 T 4.2371 9.3282 114.5666 61.3029 69.7686 175.0490 59 N 4.5516 8.8056 118.5643 56.5794 38.4046 177.5756 60 E 4.0853 8.1985 119.6239 59.3119 29.7037 179.0061 61 E 4.0046 8.2604 118.6603 59.4746 29.5788 179.2359 62 F 3.9767 8.6798 120.5853 60.8822 39.4014 177.1300 63 A 4.0234 8.2425 120.7502 55.2212 18.1245 179.4777 64 E 3.9045 8.2429 117.1441 59.3217 29.4028 179.3560 65 L 3.7957 7.8040 120.4237 58.2211 42.0611 179.2874 66 S 3.8720 7.7575 115.1187 61.1641 62.6715 176.6095 67 K 3.9033 7.9894 122.3970 59.6780 31.7433 178.9166 68 T 3.8084 7.7734 114.9095 66.9405 68.5262 176.3235 69 I 3.7680 7.7173 120.4175 64.0186 37.2738 177.9738 70 K 4.0321 8.1690 120.9970 59.6476 32.0727 180.8231 71 S 4.4833 8.0406 115.9848 58.3563 63.1460 176.8664 *73 L 4.3169 7.8581 121.5859 53.1414 43.4102 177.8191 74 E 5.4853 8.1320 126.1089 57.4031 31.6130 175.9380 75 H 4.1861 8.4455 121.2191 56.7195 29.7138 174.2804 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 6 S 8.18 4.93 0.00 3.83 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 7 Y 7.33 5.06 0.00 2.13 2.65 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 8 E 9.60 4.44 0.00 1.84 1.63 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 0.00 2.06 2.12 0.00 9 I 8.27 4.21 1.59 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.52 0.62 0.00 0.00 10 L 8.73 4.27 0.00 1.36 1.60 0.82 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.66 4.55 0.00 1.91 1.63 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 0.00 2.23 2.29 0.00 12 E 8.66 4.56 0.00 1.83 1.83 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 2.04 2.15 0.00 13 V 8.57 4.00 2.32 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 0.81 0.00 0.00 1.01 0.00 0.00 14 A 7.74 4.62 1.26 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 0.00 0.00 15 V 8.34 4.58 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 0.89 0.00 0.00 0.95 0.00 0.00 16 L 9.45 4.51 0.00 1.59 1.75 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.86 4.90 0.00 3.88 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 18 E 8.47 4.74 0.00 2.07 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 2.20 2.31 0.00 19 N 9.07 4.73 0.00 3.11 3.10 0.00 0.00 7.22 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 20 A 8.46 4.14 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 21 R 7.93 4.29 0.00 1.78 1.95 0.00 3.17 0.00 0.00 3.10 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 22 G 8.30 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 0.00 0.00 0.00 0.00 23 W 8.46 4.67 0.00 3.29 3.42 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 24 R 9.28 5.21 0.00 1.93 1.87 0.00 3.10 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 25 K 8.57 4.93 0.00 2.07 1.77 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.50 7.81 26 E 9.76 5.30 0.00 2.15 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 2.29 2.42 0.00 27 L 9.14 5.18 0.00 1.84 1.64 1.19 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 28 N 9.44 5.51 0.00 2.71 2.55 0.00 0.00 6.48 7.12 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 29 L 8.71 4.87 0.00 1.35 1.31 0.62 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.70 4.79 1.65 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.80 -0.07 0.00 0.00 31 S 8.65 4.78 0.00 3.82 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.79 5.00 0.00 3.36 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 33 N 10.52 4.08 0.00 2.93 2.96 0.00 0.00 7.10 5.88 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 34 G 7.67 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 35 R 7.59 4.46 0.00 1.94 1.94 0.00 3.23 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 36 P 0.00 4.50 0.00 1.94 1.99 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 37 P 0.00 4.59 0.00 1.86 1.92 0.00 3.65 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 1.86 1.89 0.00 38 K 9.09 4.71 0.00 1.87 1.98 0.00 1.77 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.46 7.81 39 F 8.53 4.66 0.00 2.98 2.81 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 40 D 9.31 5.26 0.00 2.93 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 41 L 8.86 5.36 0.00 1.72 1.64 1.02 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.73 4.90 0.00 1.96 1.81 0.00 2.21 0.00 0.00 2.67 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.39 0.00 43 E 8.85 5.09 0.00 1.98 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 44 W 9.63 4.87 0.00 3.08 2.88 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 45 A 7.64 2.82 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.21 0.00 2.18 2.17 0.00 3.47 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 2.01 2.01 0.00 47 D 9.04 4.15 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.89 4.21 0.00 3.22 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.94 4.10 0.00 1.99 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 2.35 2.29 0.00 50 K 7.38 4.28 0.00 1.81 1.35 0.00 1.76 0.00 0.00 1.92 0.00 0.00 3.14 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.53 7.81 *52 G 8.36 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 0.00 0.00 0.00 0.00 53 K 8.64 4.26 0.00 1.83 1.66 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.42 7.81 54 G 7.86 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.58 4.79 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.55 0.97 0.00 0.00 56 T 8.54 5.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 57 L 8.77 5.19 0.00 1.78 1.79 1.18 1.06 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 58 T 9.33 4.24 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 1.30 0.00 0.00 59 N 8.81 4.55 0.00 2.87 3.02 0.00 0.00 6.82 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 60 E 8.20 4.09 0.00 2.10 2.03 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 2.43 2.51 0.00 61 E 8.26 4.00 0.00 2.36 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 2.36 2.36 0.00 62 F 8.68 3.98 0.00 3.34 3.12 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 0.00 0.00 0.00 63 A 8.24 4.02 1.45 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 0.00 0.00 0.00 64 E 8.24 3.90 0.00 2.12 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 2.46 2.46 0.00 65 L 7.80 3.80 0.00 1.67 1.40 0.81 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.76 3.87 0.00 3.90 3.77 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 0.00 0.00 0.00 67 K 7.99 3.90 0.00 1.88 1.92 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.46 7.81 68 T 7.77 3.81 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 1.17 0.00 0.00 69 I 7.72 3.77 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.45 0.86 0.00 0.00 70 K 8.17 4.03 0.00 1.85 2.00 0.00 1.62 0.00 0.00 1.67 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.58 7.81 71 S 8.04 4.48 0.00 4.05 3.86 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 *73 L 7.86 4.32 0.00 1.84 1.77 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.13 5.49 0.00 1.96 1.96 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 2.08 1.97 0.00 75 H 8.45 4.19 0.00 3.09 3.22 0.00 6.01 0.00 0.00 0.00 0.00 6.91 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.