NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.2630 0.0000 0.0000 61.8416 32.3668 175.6297 8 V 3.7255 8.2351 123.9842 59.4997 30.9787 173.7701 9 D 4.4281 9.2551 129.4136 54.0812 41.4162 175.7505 10 L 3.8497 8.7673 128.0683 57.9215 41.7358 179.9431 11 G 3.8578 8.2907 104.1937 47.0116 0.0000 173.3365 12 L 4.5589 8.2223 118.7464 54.3416 43.9849 176.7806 13 L 3.9058 7.6485 120.6044 55.6116 42.1643 177.9095 14 E 4.3035 8.4972 126.5972 55.3939 27.6508 176.3244 15 E 4.1326 8.0365 122.2450 55.7938 30.7048 177.4395 16 D 4.3390 8.7829 120.7441 57.7665 41.0322 177.6978 17 D 4.8237 7.9315 115.1128 53.3763 39.5667 176.8484 18 E 4.2478 7.6847 121.4091 55.5328 27.9518 176.4816 19 F 4.4082 8.2519 118.2940 56.1799 38.9722 175.3075 20 E 4.3929 8.4928 121.9086 54.1865 30.6796 175.2517 21 E 4.0685 8.8719 127.5441 59.2787 29.8015 177.9529 22 F 4.8202 7.5282 120.2735 55.1467 37.6552 173.5894 23 P 4.3300 0.0000 0.0000 65.6502 31.4550 178.5230 24 A 4.2620 7.8805 126.8987 53.2718 15.7083 177.6453 25 E 3.9136 8.1854 118.9886 59.1134 30.6664 177.5485 *37 H 4.2493 7.7285 121.9216 55.8489 28.4187 174.7182 38 V 3.8743 8.4427 130.5367 60.8592 30.7192 170.8963 39 W 5.0891 6.7660 115.6541 54.3125 30.7363 174.1964 40 E 4.5762 8.3731 120.9696 55.5560 32.2434 175.2543 41 D 3.9225 8.4724 117.7793 52.8829 41.8016 178.7218 42 N 4.4694 9.3966 110.7233 51.8111 38.2346 174.2921 43 W 3.4922 8.4394 128.2741 60.8202 31.1422 174.9772 44 D 4.7669 8.5136 123.1096 52.2719 39.3774 174.7581 45 D 4.5808 7.8529 122.4970 54.0974 42.0772 177.2294 *50 D 4.6106 7.2350 117.5630 53.1699 43.7757 177.2245 51 D 4.3748 8.3198 125.0299 57.4495 41.4466 177.7310 52 F 4.5658 8.5919 114.9813 57.7052 39.4692 176.2495 53 S 4.5713 8.4969 117.8093 60.4968 63.5141 175.4001 54 N 4.6608 7.7719 119.9185 52.0111 36.8723 172.7496 55 Q 4.2396 8.0672 120.5972 54.6622 29.6037 177.6679 56 L 4.2463 8.4790 123.3782 55.2733 41.6223 177.1165 57 R 4.6777 9.0062 115.3410 55.4200 37.2378 176.8396 58 A 4.2415 8.0491 119.4697 54.3003 18.5675 179.1277 59 E 3.9208 8.1929 117.1788 59.5794 29.4300 178.9039 60 L 4.1767 7.9286 116.2178 56.7037 41.7233 178.1165 61 E 4.3507 8.0757 118.4497 57.9876 30.1429 177.8511 62 K 4.0327 8.1754 119.6355 59.2739 32.3231 176.2965 63 H 4.5090 8.0112 119.4287 55.9062 28.9031 174.8283 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 7 P 0.00 4.26 0.00 2.11 1.92 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 8 V 8.24 3.73 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 0.89 0.00 0.00 0.93 0.00 0.00 9 D 9.26 4.43 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.77 3.85 0.00 1.74 1.73 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.29 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 0.00 0.00 0.00 12 L 8.22 4.56 0.00 1.73 1.68 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.65 3.91 0.00 1.59 1.83 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.50 4.30 0.00 1.99 1.89 0.00 0.00 0.00 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 2.26 0.00 15 E 8.04 4.13 0.00 2.02 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 2.40 2.30 0.00 16 D 8.78 4.34 0.00 2.63 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.93 4.82 0.00 2.88 2.77 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 18 E 7.68 4.25 0.00 2.10 1.88 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 2.26 2.22 0.00 19 F 8.25 4.41 0.00 3.11 3.04 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 0.00 0.00 0.00 20 E 8.49 4.39 0.00 1.89 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 2.21 2.47 0.00 21 E 8.87 4.07 0.00 1.85 1.21 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 1.97 2.28 0.00 22 F 7.53 4.82 0.00 3.13 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 23 P 0.00 4.33 0.00 2.09 2.18 0.00 3.80 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 24 A 7.88 4.26 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 25 E 8.19 3.91 0.00 2.00 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 2.23 1.87 0.00 *37 H 7.73 4.25 0.00 2.95 2.98 0.00 7.19 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.44 3.87 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.88 0.00 0.00 39 W 6.77 5.09 0.00 3.52 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.37 4.58 0.00 1.16 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 1.71 2.07 0.00 41 D 8.47 3.92 0.00 2.86 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 9.40 4.47 0.00 2.88 2.92 0.00 0.00 5.82 8.88 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 43 W 8.44 3.49 0.00 3.49 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 44 D 8.51 4.77 0.00 2.88 2.79 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 45 D 7.85 4.58 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.23 4.61 0.00 2.82 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.32 4.37 0.00 2.54 2.45 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 52 F 8.59 4.57 0.00 2.95 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.50 4.57 0.00 3.96 3.95 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 54 N 7.77 4.66 0.00 2.71 2.79 0.00 0.00 6.92 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 55 Q 8.07 4.24 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.15 0.00 0.00 0.00 0.00 0.00 2.46 2.32 0.00 56 L 8.48 4.25 0.00 1.57 1.66 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 57 R 9.01 4.68 0.00 1.64 1.90 0.00 3.21 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 58 A 8.05 4.24 1.33 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 59 E 8.19 3.92 0.00 2.05 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 2.42 2.57 0.00 60 L 7.93 4.18 0.00 1.63 1.75 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.08 4.35 0.00 2.18 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 2.33 2.45 0.00 62 K 8.18 4.03 0.00 1.66 1.81 0.00 1.49 0.00 0.00 1.50 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.56 7.81 63 H 8.01 4.51 0.00 3.20 3.19 0.00 5.78 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.