NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2298 8.2644 123.5823 51.6338 19.8908 176.2570 2 M 3.8227 8.6053 120.9960 54.2966 31.7489 173.1586 3 D 4.4898 7.9115 126.8669 54.8199 42.0636 176.9173 *5 S 4.2025 7.6918 116.7665 55.7175 65.2292 174.3437 6 A 3.7304 7.9663 122.4644 52.7420 16.0666 176.5491 7 K 4.9139 7.9004 116.6587 57.0785 32.9734 176.4268 8 A 4.7344 8.7500 124.0735 49.7503 23.2257 173.7968 9 P 4.6083 0.0000 0.0000 62.8214 32.3668 175.8376 10 Q 4.5277 9.4773 125.7762 54.5512 31.1214 173.9612 11 I 4.8788 8.3352 127.4609 60.0936 39.2846 175.4026 12 T 4.3763 8.8502 122.8079 61.7090 71.7578 172.8171 13 I 4.5781 8.1652 127.2592 59.8233 39.0475 175.5439 14 F 4.4718 9.3869 127.7800 55.9770 39.9835 173.6834 15 D 5.1303 8.6196 124.2456 52.4049 40.2801 175.6602 16 H 5.0851 8.5702 126.2450 54.4817 29.8310 175.0677 17 R 4.0826 7.6145 117.9635 57.9975 30.1605 177.8200 18 G 3.9435 9.4408 111.9340 45.3015 0.0000 173.0993 19 C 4.2739 8.0729 121.7121 59.0626 31.9753 174.3560 20 S 4.2532 8.5474 120.8712 59.8145 63.2296 174.0615 21 R 3.9968 7.2522 119.4375 55.4244 29.6664 175.7958 22 A 4.1492 8.4231 129.4138 51.0223 19.0884 175.1189 23 P 4.3540 0.0000 0.0000 63.0068 31.7851 176.5594 24 K 4.5714 8.5374 117.0605 56.7340 34.3706 176.3570 25 E 4.4777 7.9788 117.8968 56.4530 31.0494 176.3311 26 S 4.4528 7.7726 113.3084 58.2647 63.8517 173.8923 27 T 4.5679 8.3142 108.1362 61.1460 69.8178 174.3915 28 G 3.9029 8.2345 109.8224 45.1736 0.0000 174.6389 29 G 3.7888 8.1109 108.5835 44.2900 0.0000 172.7099 30 K 4.7026 8.2192 116.8741 54.6028 33.9800 176.6898 31 A 4.1060 9.5758 126.2014 52.8117 18.8189 177.6657 32 G 3.7998 8.8169 103.7951 46.4887 0.0000 173.6361 33 G 4.0045 7.4773 107.5725 45.3990 0.0000 174.4237 34 Q 4.0104 8.2766 116.1816 58.7471 29.1647 177.9522 35 D 4.4160 8.2126 118.6629 57.3291 40.9043 177.6964 36 D 4.6044 8.2815 117.4248 55.9490 40.9073 176.4273 37 E 4.7800 8.3894 118.3687 56.0450 31.2118 175.1560 38 M 5.2150 7.9848 117.9686 54.2225 36.2241 174.4711 39 M 4.7278 8.9321 118.5133 54.6748 36.4878 173.2892 40 V 4.8540 8.4884 124.8117 61.0952 33.6094 174.3691 41 K 4.7489 9.1932 129.5758 54.6516 34.7597 174.8117 42 V 4.9321 8.4465 125.6618 61.1575 34.3312 174.1162 43 A 4.8667 9.0678 128.5094 50.1103 23.0503 174.6093 44 S 5.1670 8.6633 113.9538 56.8915 64.0080 173.3000 45 T 4.7922 8.3615 117.0649 59.3252 72.3668 173.2053 46 K 4.5618 8.6426 124.7822 56.6104 33.0479 176.0478 47 V 4.2182 8.5850 128.2392 62.1905 32.3772 175.4251 48 T 4.6908 8.4394 123.3750 61.6873 72.2173 173.3386 49 V 4.3830 8.1737 124.1470 60.2948 34.3235 176.0458 50 S 4.4156 8.4520 121.9905 58.0842 65.1712 175.0132 51 E 3.9729 8.6791 122.9602 59.6375 29.3525 179.8382 52 S 4.1122 7.9991 113.9028 61.5265 63.1554 176.1839 53 D 4.2980 8.2278 122.3304 57.0121 40.4804 178.5197 54 A 3.9605 8.2388 121.1810 55.0171 18.3564 179.5292 55 A 3.8795 8.1947 119.4332 55.1880 18.2083 179.9967 56 K 3.8297 7.8947 116.7649 59.5411 32.0280 179.7569 57 K 3.4608 7.9157 118.7001 59.0242 31.8745 179.0649 58 L 3.8149 7.8025 120.7553 58.2658 41.7546 178.9182 59 Q 3.9368 7.6691 118.1888 58.8300 29.3191 177.9277 60 E 4.0687 7.5495 119.7761 59.4486 29.6092 179.2009 61 F 4.6426 8.1383 118.1466 60.5019 38.7627 177.2672 62 I 3.5228 7.7397 117.3296 62.7447 37.8373 176.1888 63 T 3.9437 7.0121 107.2530 61.2003 69.4177 174.3475 64 F 4.0582 7.3113 119.9931 59.0052 36.6434 174.5668 65 E 4.6591 8.1614 119.3934 55.0186 31.5141 174.8093 66 K 4.6777 8.0894 118.0899 55.5815 35.7064 175.4002 67 G 4.0189 8.2881 107.9334 44.5497 0.0000 173.5866 68 I 3.8449 8.3460 119.0766 64.4599 37.1802 177.2006 69 D 4.4271 7.7810 118.1010 55.1409 41.2818 177.1470 70 G 4.1319 8.6094 105.7789 44.8854 0.0000 171.6815 71 P 4.4037 0.0000 0.0000 62.1487 32.0533 175.9847 72 F 4.5872 8.7092 122.6088 57.9542 39.1024 175.2623 73 T 4.2676 7.8082 117.0094 61.0263 69.7697 174.4736 74 S 3.8771 6.5420 116.6596 58.3561 62.8570 173.2629 75 K 4.3564 8.1419 124.7959 56.0467 32.4502 175.9287 76 N 4.5742 7.7700 120.5865 53.8998 39.0122 174.0585 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 1 A 8.26 4.23 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.61 3.82 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 3 D 7.91 4.49 0.00 2.79 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 *5 S 7.69 4.20 0.00 4.03 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 6 A 7.97 3.73 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 7 K 7.90 4.91 0.00 1.68 1.75 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.40 7.81 8 A 8.75 4.73 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.61 0.00 1.95 2.00 0.00 3.63 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 2.03 2.09 0.00 10 Q 9.48 4.53 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 11 I 8.34 4.88 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.72 0.88 0.00 0.00 12 T 8.85 4.38 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 13 I 8.17 4.58 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.80 0.91 0.00 0.00 14 F 9.39 4.47 0.00 2.74 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.62 5.13 0.00 2.70 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 16 H 8.57 5.09 0.00 3.29 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.61 4.08 0.00 1.87 1.91 0.00 3.27 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 18 G 9.44 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 19 C 8.07 4.27 0.00 2.97 2.97 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 20 S 8.55 4.25 0.00 4.02 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 21 R 7.25 4.00 0.00 1.78 1.90 0.00 3.41 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 22 A 8.42 4.15 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 23 P 0.00 4.35 0.00 2.14 2.01 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 24 K 8.54 4.57 0.00 1.82 1.83 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.28 1.36 7.81 25 E 7.98 4.48 0.00 1.82 1.94 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 2.14 2.27 0.00 26 S 7.77 4.45 0.00 3.96 3.83 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 27 T 8.31 4.57 4.23 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 1.25 0.00 0.00 28 G 8.23 3.90 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 0.00 0.00 0.00 29 G 8.11 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.70 0.00 1.73 1.83 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.34 7.81 31 A 9.58 4.11 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 32 G 8.82 3.80 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 0.00 0.00 0.00 33 G 7.48 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.28 4.01 0.00 2.26 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 35 D 8.21 4.42 0.00 2.73 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 36 D 8.28 4.60 0.00 2.77 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 37 E 8.39 4.78 0.00 2.01 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 0.00 2.21 2.25 0.00 38 M 7.98 5.22 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.61 0.00 39 M 8.93 4.73 0.00 1.98 1.77 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 40 V 8.49 4.85 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 0.85 0.00 0.00 0.96 0.00 0.00 41 K 9.19 4.75 0.00 2.11 1.83 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.43 7.81 42 V 8.45 4.93 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 0.86 0.00 0.00 0.94 0.00 0.00 43 A 9.07 4.87 1.22 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 0.00 0.00 0.00 44 S 8.66 5.17 0.00 3.86 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 45 T 8.36 4.79 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 46 K 8.64 4.56 0.00 1.79 1.76 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.60 7.81 47 V 8.58 4.22 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 0.81 0.00 0.00 0.96 0.00 0.00 48 T 8.44 4.69 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 49 V 8.17 4.38 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 0.86 0.00 0.00 0.94 0.00 0.00 50 S 8.45 4.42 0.00 4.08 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 51 E 8.68 3.97 0.00 2.03 2.04 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 2.40 2.37 0.00 52 S 8.00 4.11 0.00 4.02 4.11 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 53 D 8.23 4.30 0.00 2.86 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 54 A 8.24 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 3.88 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 56 K 7.89 3.83 0.00 1.92 1.79 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.65 7.81 57 K 7.92 3.46 0.00 1.57 0.84 0.00 1.50 0.00 0.00 1.50 0.00 0.00 2.95 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.51 1.48 7.81 58 L 7.80 3.81 0.00 1.78 1.76 0.98 0.70 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 59 Q 7.67 3.94 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 60 E 7.55 4.07 0.00 1.94 1.97 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 2.27 2.37 0.00 61 F 8.14 4.64 0.00 3.00 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 62 I 7.74 3.52 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.66 0.84 0.00 0.00 63 T 7.01 3.94 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 64 F 7.31 4.06 0.00 3.41 3.21 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 0.00 65 E 8.16 4.66 0.00 2.01 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 2.30 2.24 0.00 66 K 8.09 4.68 0.00 1.89 1.92 0.00 1.90 0.00 0.00 1.88 0.00 0.00 3.17 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.42 1.50 7.81 67 G 8.29 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.35 3.84 1.88 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 1.43 0.86 0.92 0.00 0.00 69 D 7.78 4.43 0.00 2.68 2.61 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 70 G 8.61 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 0.00 0.00 0.00 0.00 71 P 0.00 4.40 0.00 2.21 2.09 0.00 3.77 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 1.98 1.95 0.00 72 F 8.71 4.59 0.00 2.93 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 73 T 7.81 4.27 4.10 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 0.00 0.00 0.00 1.15 0.00 0.00 74 S 6.54 3.88 0.00 3.49 3.11 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 75 K 8.14 4.36 0.00 1.62 1.63 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.38 7.81 76 N 7.77 4.57 0.00 1.94 2.38 0.00 0.00 6.75 7.73 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 * Residues marked with a * may have inaccurate shift predictions.