NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7140 8.2827 118.2177 52.2775 38.9439 174.8060 3 I 3.4982 8.1755 117.7075 63.9739 37.8216 176.1243 4 D 4.3367 8.2928 119.5726 57.1764 41.1275 177.7833 5 E 3.9484 8.8615 120.3116 59.1646 29.5729 178.8468 6 I 3.7031 7.8443 119.8611 64.4116 37.2980 178.1452 7 E 3.9331 8.4145 119.5975 59.4177 29.3062 179.2578 8 R 3.8808 7.9439 118.5377 59.7089 30.0604 178.7734 9 K 4.1795 8.2007 117.9152 59.1443 31.9647 179.4915 10 I 3.6927 8.0164 120.6155 64.6495 37.1101 178.1924 11 D 4.4005 8.0169 119.3383 57.3322 40.6217 178.7013 12 E 3.9590 8.4308 119.0499 59.3443 29.3624 179.3033 13 A 3.9488 8.2951 121.0620 55.0096 18.4061 179.7127 14 I 3.6645 7.8468 118.3736 64.6235 37.0054 178.2859 15 E 3.9649 7.9995 118.7431 59.0640 29.5853 178.3368 16 K 4.0794 7.9820 115.9284 56.0179 32.8059 176.4052 17 E 3.0184 7.6298 117.9440 57.5795 27.6488 176.1304 18 D 4.4612 7.3677 118.7599 52.9425 40.3980 174.3785 19 Y 4.3290 7.3423 122.6152 60.1157 38.2272 177.0781 20 E 4.0134 8.1446 119.6087 59.6493 29.6666 179.1837 21 T 3.8665 7.8827 115.8971 66.2247 68.3598 176.5507 22 L 3.9250 7.8171 121.9980 58.0782 42.2032 178.7904 23 L 3.9414 8.1531 120.3765 58.1503 42.0487 178.6104 24 S 4.0991 8.3161 113.3377 61.5988 62.2035 176.2557 25 L 4.0039 8.3690 121.7843 57.8654 40.8661 179.5529 26 L 3.9975 8.3029 119.2700 57.7926 41.2860 179.3303 27 N 4.3570 8.0482 115.6767 56.2254 38.3781 177.0342 28 K 4.0707 8.1296 121.0555 59.4883 32.2086 178.8748 29 R 3.7695 8.2926 119.2579 59.0135 29.7021 178.3937 30 K 3.8651 7.4934 117.1941 59.7401 32.1429 178.4986 31 E 4.0837 7.5383 117.2046 58.6347 30.0006 177.8068 32 L 4.3336 7.9131 120.6943 54.0211 41.3164 177.4756 *34 E 4.2533 8.0255 120.0787 56.1992 31.5710 176.4343 35 G 3.8072 7.6479 104.1382 46.5062 0.0000 173.9706 36 L 4.1986 7.5955 120.0330 53.5360 42.5252 175.6949 37 P 4.4159 0.0000 0.0000 62.3414 33.2507 177.0871 38 K 3.8023 8.7132 121.1060 60.3674 32.0182 178.6944 39 D 4.3377 8.0436 118.1876 57.0945 40.7957 178.4651 40 K 3.9241 7.9997 119.7684 59.3799 32.2276 178.4345 41 L 3.9440 8.1070 120.6272 58.2624 42.1513 179.0097 42 S 4.1283 8.2394 115.1707 61.6939 62.7900 176.5579 43 E 3.9797 8.2768 121.0836 59.5979 29.1464 179.5914 44 I 3.7631 7.7968 119.7673 64.3176 37.1913 178.4998 45 L 3.9828 8.1146 119.9783 57.7475 41.0919 179.2442 46 E 3.9705 8.1693 119.0270 59.1013 29.5042 178.9280 47 K 3.9827 8.1773 118.6080 59.6592 32.0462 178.9970 48 D 4.3465 8.4766 119.4506 57.2758 40.5456 178.8039 49 R 3.8771 7.8756 118.8259 59.4471 30.2036 178.8123 50 K 4.2149 7.8575 117.9742 59.3329 32.0494 179.6299 51 R 3.9586 8.2818 118.7494 59.1921 29.9397 178.8456 52 L 3.9908 8.2140 120.2988 58.0540 42.0558 178.8385 53 E 3.9563 8.0341 118.5377 59.3497 29.4076 179.2660 54 I 3.7237 7.6381 119.5656 64.5527 37.2042 178.6281 55 I 3.7918 7.7786 113.6709 63.7515 37.4295 178.0372 56 E 3.9426 8.3935 120.6874 59.2521 29.3055 179.3629 57 K 3.9853 8.1299 118.5101 59.3353 32.0638 179.2632 58 R 3.8804 8.0214 118.9912 59.3712 30.0131 178.3679 59 K 3.7851 8.3183 119.6950 59.8477 32.1633 178.7944 60 T 4.0005 8.0529 115.7135 66.7125 68.3443 176.4696 61 A 4.0650 8.1278 122.6172 55.1265 18.3238 179.7344 62 L 3.8954 8.1276 117.6386 57.9800 41.6654 179.7436 63 F 4.3534 8.2385 117.8161 60.5239 38.7970 177.5673 64 Q 4.0473 8.4063 119.4489 59.0479 28.8669 177.8012 65 E 3.9776 8.5011 120.6535 59.2484 29.6730 178.7408 66 I 3.7380 8.2597 120.4239 64.3799 37.1192 177.9444 67 N 4.3353 8.2166 117.9147 56.5687 38.8233 176.9944 68 V 3.5838 7.8184 119.6994 66.2502 31.6040 178.0125 69 I 3.7055 7.8572 119.3558 64.3506 36.8601 178.2914 70 R 3.9145 8.1464 119.4977 59.4823 29.8574 178.3381 71 E 3.9343 8.2153 118.0699 59.4844 29.4648 179.2959 72 A 3.9856 8.1653 120.7460 54.9397 18.4119 179.5395 73 R 3.8128 8.5392 117.5843 59.7898 29.9513 178.7783 74 S 4.1159 7.9687 113.5099 61.8156 62.6887 176.4597 75 S 4.2357 8.2365 115.6701 61.4029 61.9554 176.1260 76 L 4.1219 8.2535 120.6405 56.9509 41.4647 178.3854 77 Q 4.3473 7.6881 116.0677 55.8900 29.1068 175.8527 78 K 4.1189 7.5519 124.4238 56.7764 32.0815 176.5632 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 2 N 8.28 4.71 0.00 2.96 3.04 0.00 0.00 5.76 6.95 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 3 I 8.18 3.50 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 1.64 1.47 0.91 0.00 0.00 4 D 8.29 4.34 0.00 2.93 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.86 3.95 0.00 2.11 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 2.30 2.22 0.00 6 I 7.84 3.70 2.01 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 1.52 0.68 0.91 0.00 0.00 7 E 8.41 3.93 0.00 2.17 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 2.46 2.47 0.00 8 R 7.94 3.88 0.00 1.95 2.10 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 9 K 8.20 4.18 0.00 2.04 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.62 7.81 10 I 8.02 3.69 2.06 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 1.53 1.04 0.93 0.00 0.00 11 D 8.02 4.40 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.43 3.96 0.00 2.14 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 2.32 2.49 0.00 13 A 8.30 3.95 1.37 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 0.00 0.00 14 I 7.85 3.66 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.67 0.98 0.00 0.00 15 E 8.00 3.96 0.00 1.95 2.18 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 2.31 2.38 0.00 16 K 7.98 4.08 0.00 1.68 1.75 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.43 1.54 7.81 17 E 7.63 3.02 0.00 2.00 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 2.31 2.19 0.00 18 D 7.37 4.46 0.00 2.59 2.37 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 19 Y 7.34 4.33 0.00 3.10 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 20 E 8.14 4.01 0.00 2.10 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 2.40 1.97 0.00 21 T 7.88 3.87 4.39 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 1.19 0.00 0.00 22 L 7.82 3.92 0.00 1.84 1.98 0.96 0.46 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 23 L 8.15 3.94 0.00 1.96 1.86 0.94 0.99 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 24 S 8.32 4.10 0.00 4.03 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 25 L 8.37 4.00 0.00 1.90 1.71 0.91 0.63 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 26 L 8.30 4.00 0.00 1.83 1.73 0.98 0.69 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 27 N 8.05 4.36 0.00 2.88 2.89 0.00 0.00 7.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.13 4.07 0.00 2.04 1.98 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.32 7.81 29 R 8.29 3.77 0.00 2.03 2.04 0.00 3.25 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 30 K 7.49 3.87 0.00 1.93 1.88 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.71 7.81 31 E 7.54 4.08 0.00 1.76 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 2.35 2.52 0.00 32 L 7.91 4.33 0.00 1.83 1.64 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *34 E 8.03 4.25 0.00 2.21 2.02 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 2.19 1.89 0.00 35 G 7.65 3.81 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 0.00 0.00 0.00 36 L 7.60 4.20 0.00 1.65 1.62 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.42 0.00 2.26 2.18 0.00 3.73 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 2.07 2.02 0.00 38 K 8.71 3.80 0.00 1.84 1.88 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.57 7.81 39 D 8.04 4.34 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.00 3.92 0.00 1.86 1.97 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.56 7.81 41 L 8.11 3.94 0.00 1.80 1.81 0.92 0.84 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 42 S 8.24 4.13 0.00 4.06 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 43 E 8.28 3.98 0.00 2.21 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 2.51 0.00 44 I 7.80 3.76 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 1.72 0.85 0.92 0.00 0.00 45 L 8.11 3.98 0.00 1.69 1.72 0.92 0.67 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 46 E 8.17 3.97 0.00 2.12 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 0.00 2.31 2.39 0.00 47 K 8.18 3.98 0.00 2.03 1.85 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.60 7.81 48 D 8.48 4.35 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.88 3.88 0.00 1.86 2.09 0.00 3.26 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 50 K 7.86 4.21 0.00 1.99 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.48 7.81 51 R 8.28 3.96 0.00 2.01 2.00 0.00 3.27 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 52 L 8.21 3.99 0.00 1.85 1.84 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.03 3.96 0.00 2.19 1.99 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 2.33 2.56 0.00 54 I 7.64 3.72 2.07 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 1.60 0.88 0.96 0.00 0.00 55 I 7.78 3.79 1.68 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.15 1.02 0.00 0.00 56 E 8.39 3.94 0.00 2.19 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 2.44 2.49 0.00 57 K 8.13 3.99 0.00 2.00 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 58 R 8.02 3.88 0.00 1.97 2.03 0.00 3.19 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 59 K 8.32 3.79 0.00 1.85 1.98 0.00 1.80 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.64 1.42 7.81 60 T 8.05 4.00 4.43 0.00 0.00 0.00 0.00 0.00 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 61 A 8.13 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.13 3.90 0.00 1.63 1.53 0.79 0.90 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 63 F 8.24 4.35 0.00 3.23 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 64 Q 8.41 4.05 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 65 E 8.50 3.98 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 66 I 8.26 3.74 2.15 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.76 0.99 0.00 0.00 67 N 8.22 4.34 0.00 2.95 3.02 0.00 0.00 6.82 7.80 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 68 V 7.82 3.58 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 0.98 0.00 0.00 0.98 0.00 0.00 69 I 7.86 3.71 2.03 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 1.41 0.53 0.92 0.00 0.00 70 R 8.15 3.91 0.00 1.91 2.13 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 71 E 8.22 3.93 0.00 2.28 1.99 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 2.34 2.51 0.00 72 A 8.17 3.99 1.37 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 0.00 0.00 73 R 8.54 3.81 0.00 1.84 2.13 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 74 S 7.97 4.12 0.00 4.04 3.92 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 0.00 0.00 0.00 75 S 8.24 4.24 0.00 3.89 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 76 L 8.25 4.12 0.00 1.75 1.72 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 7.69 4.35 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.95 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 78 K 7.55 4.12 0.00 1.76 1.74 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.62 7.81 * Residues marked with a * may have inaccurate shift predictions.