NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1140 8.0393 114.0572 60.5276 33.0305 174.9352 2 P 4.2986 0.0000 0.0000 61.9649 32.1821 174.5159 3 L 4.4874 8.8392 121.9361 53.3147 44.1374 177.8875 4 S 4.2560 8.2268 116.5587 58.8676 63.2395 173.9413 5 R 4.5093 7.7738 118.8358 54.6179 32.2438 174.3694 6 T 3.8894 8.1663 113.0584 62.5035 67.6006 174.0744 7 V 4.4437 8.2347 121.3407 60.6576 32.2254 175.2972 8 R 5.2823 7.3566 112.9746 54.2417 32.4527 173.9869 9 C 4.3827 8.6945 116.1832 57.8866 40.5519 174.3325 10 T 4.0485 9.0027 112.1869 62.2850 69.3232 174.2808 11 C 4.6187 8.4665 121.1420 56.1442 40.9816 173.8525 12 I 3.8468 8.4531 126.2611 64.0696 37.0957 176.1731 13 S 4.6952 7.4873 111.5002 57.0536 65.4376 173.2612 14 I 4.7347 7.9184 113.8530 59.0779 40.4316 174.6608 15 S 4.5782 8.9997 118.0128 57.5347 63.2248 174.2691 16 N 4.8421 8.4748 122.6895 53.3992 39.5136 175.5636 17 Q 4.2010 7.4351 117.6680 54.7919 29.3884 174.5151 18 P 4.4579 0.0000 0.0000 62.6733 32.0720 176.1653 19 V 4.3393 7.8610 119.3076 60.9253 34.5395 174.5545 20 N 4.5886 8.6656 125.5401 52.0491 39.2004 173.4175 21 P 4.2262 0.0000 0.0000 66.0724 31.2847 178.5581 22 R 3.8971 8.2605 116.8594 58.9650 30.2136 177.3964 23 S 4.4318 8.3667 110.6900 58.5612 63.5894 173.6260 24 L 4.5168 7.7358 122.7776 54.7248 42.1295 176.0576 25 E 4.3699 9.0375 125.0944 58.0994 30.7397 175.7983 26 K 4.6342 7.5851 117.7993 55.3404 36.0158 174.1046 27 L 5.2876 8.3619 125.4849 53.2849 45.1420 175.0054 28 E 4.7037 9.2719 124.1282 54.6009 32.5105 174.6292 29 I 4.5937 8.4840 125.1600 60.0085 38.6771 175.1830 30 I 4.4887 9.0198 129.7085 58.5409 38.8135 173.7576 31 P 4.6940 0.0000 0.0000 62.3039 31.9041 176.2370 32 A 4.5557 8.5110 123.0800 53.0395 19.1402 176.8457 33 S 4.4054 8.8600 113.6500 57.3174 65.9350 174.6653 34 Q 4.0204 7.9028 116.7428 57.6718 28.9098 176.6359 35 F 4.6438 7.6812 117.9583 59.2351 39.7688 174.8130 36 C 4.7151 7.9633 120.6563 54.9754 45.3609 172.3918 37 P 4.2635 0.0000 0.0000 64.2682 30.9001 175.8210 38 R 4.8906 7.3808 114.5065 54.2196 32.7570 175.2054 39 V 4.1274 8.4080 119.6888 62.0466 32.3814 175.1485 40 E 4.8452 9.2450 121.7737 54.6928 33.8890 175.0454 41 I 4.9077 8.2249 122.2299 59.8491 40.9890 174.1801 42 I 4.6955 8.8034 128.9936 59.6172 39.1111 174.7626 43 A 5.0004 8.9226 129.7892 50.7029 21.5218 175.7355 44 T 4.9058 8.9125 118.8009 62.1026 70.8798 173.9886 45 M 4.6890 8.9323 127.1546 54.5619 33.1795 177.9896 46 K 4.3025 8.6594 121.2695 59.4055 33.1825 178.2402 47 K 3.9731 8.1046 120.5623 57.0577 32.2723 176.3558 48 K 3.8281 9.6493 122.6309 56.0550 31.0992 174.3147 49 G 4.5341 8.0332 102.8313 45.8219 0.0000 173.9124 50 E 4.0965 8.2089 117.2756 56.0147 30.9868 176.4736 51 K 4.7677 8.6351 124.1002 55.6133 33.2050 176.1543 52 R 4.5961 9.1571 126.1169 54.4726 33.2978 173.6610 53 C 5.0382 8.8892 124.0361 56.8974 41.6166 172.3434 54 L 5.1401 8.8134 123.7828 52.8923 43.8633 176.1905 55 N 4.7123 9.2494 123.2462 52.0842 38.8261 173.8829 56 P 4.3354 0.0000 0.0000 64.5205 31.5257 176.8866 57 E 4.2326 8.1163 119.3114 57.3908 30.3022 176.8873 58 S 4.4962 8.0269 114.9786 57.5098 65.4014 174.8822 59 K 3.8637 8.5992 124.5995 59.7531 31.9998 178.8023 60 A 3.9821 8.0301 120.4324 55.5246 18.1826 179.5800 61 I 3.7404 7.6253 118.0287 64.3128 37.0551 178.7910 62 K 3.9633 8.1977 119.4332 59.4433 31.7384 179.1918 63 N 4.3618 8.3347 117.0766 56.0359 38.4363 177.1812 64 L 3.9347 8.0056 121.8392 58.2629 42.2043 179.0743 65 L 3.9916 8.2457 119.1154 57.6512 41.5491 179.7745 66 K 3.9897 7.8518 118.3310 59.3627 31.9486 179.2925 67 A 4.0190 8.2356 121.2640 55.0185 18.0173 179.9331 68 V 3.5049 7.7945 116.2361 66.2589 31.7416 178.0542 69 S 4.2793 8.1532 114.1076 61.6016 62.4009 176.6748 70 K 4.1578 7.9707 126.6112 59.1560 32.3637 182.3531 71 E 4.8101 8.2525 121.1246 55.6031 28.2539 176.7331 72 M 4.8054 7.6288 114.5043 54.8564 35.3731 174.1455 73 S 4.7557 8.1136 116.4500 57.2123 65.8822 174.4439 74 K 3.8417 9.0717 129.4073 58.3528 31.5001 175.9122 *75 R 4.2136 7.8190 120.5956 56.1256 30.0213 177.1686 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 V 8.04 4.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.93 0.00 0.00 2 P 0.00 4.30 0.00 2.27 2.07 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 3 L 8.84 4.49 0.00 1.62 1.61 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.23 4.26 0.00 3.82 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.77 4.51 0.00 1.62 1.70 0.00 2.71 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.11 0.00 6 T 8.17 3.89 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 1.14 0.00 0.00 7 V 8.23 4.44 2.17 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 0.76 0.00 0.00 0.94 0.00 0.00 8 R 7.36 5.28 0.00 1.91 1.88 0.00 3.13 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 9 C 8.69 4.38 0.00 3.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.00 4.05 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 1.22 0.00 0.00 11 C 8.47 4.62 0.00 3.12 3.24 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 0.00 12 I 8.45 3.85 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.91 0.00 0.00 13 S 7.49 4.70 0.00 3.93 3.78 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 14 I 7.92 4.73 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.73 0.92 0.00 0.00 15 S 9.00 4.58 0.00 3.83 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.47 4.84 0.00 2.74 2.83 0.00 0.00 7.04 7.69 0.00 0.00 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 Q 7.44 4.20 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 18 P 0.00 4.46 0.00 2.04 1.98 0.00 3.62 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 2.02 2.07 0.00 19 V 7.86 4.34 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 20 N 8.67 4.59 0.00 2.84 2.69 0.00 0.00 6.92 7.71 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 21 P 0.00 4.23 0.00 2.25 2.32 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 22 R 8.26 3.90 0.00 1.82 2.05 0.00 3.36 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 23 S 8.37 4.43 0.00 3.99 4.09 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 24 L 7.74 4.52 0.00 1.82 1.64 0.92 0.71 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 25 E 9.04 4.37 0.00 1.95 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 2.26 2.24 0.00 26 K 7.59 4.63 0.00 1.84 1.57 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.43 7.81 27 L 8.36 5.29 0.00 1.61 1.47 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.27 4.70 0.00 2.03 2.00 0.00 0.00 0.00 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 2.25 0.00 29 I 8.48 4.59 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 0.92 0.00 0.00 30 I 9.02 4.49 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 1.30 0.80 0.95 0.00 0.00 31 P 0.00 4.69 0.00 2.07 2.06 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 32 A 8.51 4.56 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 33 S 8.86 4.41 0.00 3.79 3.98 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 34 Q 7.90 4.02 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.04 0.00 0.00 0.00 0.00 0.00 1.33 1.95 0.00 35 F 7.68 4.64 0.00 3.15 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 36 C 7.96 4.72 0.00 3.04 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 37 P 0.00 4.26 0.00 2.21 2.15 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 38 R 7.38 4.89 0.00 1.77 1.88 0.00 3.04 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 39 V 8.41 4.13 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 0.72 0.00 0.00 0.99 0.00 0.00 40 E 9.25 4.85 0.00 1.90 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 2.22 2.26 0.00 41 I 8.22 4.91 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.91 0.00 0.00 42 I 8.80 4.70 1.87 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 1.16 0.59 0.91 0.00 0.00 43 A 8.92 5.00 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 44 T 8.91 4.91 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 1.25 0.00 0.00 45 M 8.93 4.69 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.79 0.00 46 K 8.66 4.30 0.00 1.65 1.87 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.52 7.81 47 K 8.10 3.97 0.00 1.78 1.74 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.37 7.81 48 K 9.65 3.83 0.00 1.80 1.82 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.47 7.81 49 G 8.03 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.21 4.10 0.00 2.06 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 2.29 2.29 0.00 51 K 8.64 4.77 0.00 1.66 1.80 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.37 7.81 52 R 9.16 4.60 0.00 1.94 1.73 0.00 3.09 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 53 C 8.89 5.04 0.00 3.09 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.81 5.14 0.00 1.45 1.56 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 55 N 9.25 4.71 0.00 2.79 2.81 0.00 0.00 6.77 7.55 0.00 0.00 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 P 0.00 4.34 0.00 2.22 2.17 0.00 3.81 0.00 0.00 3.80 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 57 E 8.12 4.23 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 58 S 8.03 4.50 0.00 4.07 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 59 K 8.60 3.86 0.00 1.89 1.85 0.00 1.62 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.51 1.57 7.81 60 A 8.03 3.98 1.38 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 0.00 0.00 0.00 61 I 7.63 3.74 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.11 0.91 0.00 0.00 62 K 8.20 3.96 0.00 1.99 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.73 7.81 63 N 8.33 4.36 0.00 2.92 2.86 0.00 0.00 6.58 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 64 L 8.01 3.93 0.00 1.76 1.84 0.99 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.25 3.99 0.00 2.00 1.70 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.85 3.99 0.00 1.93 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.69 7.81 67 A 8.24 4.02 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 68 V 7.79 3.50 2.23 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 0.83 0.00 0.00 1.00 0.00 0.00 69 S 8.15 4.28 0.00 4.03 3.88 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 70 K 7.97 4.16 0.00 1.84 1.78 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.37 1.31 7.81 71 E 8.25 4.81 0.00 2.07 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 2.32 2.39 0.00 72 M 7.63 4.81 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 73 S 8.11 4.76 0.00 3.86 3.71 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 74 K 9.07 3.84 0.00 1.77 1.77 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.37 1.05 7.81 *75 R 7.82 4.21 0.00 1.57 1.77 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.