NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3725 8.2544 117.2771 55.3708 31.6257 174.8509 5 K 4.4364 7.4986 120.3472 55.8349 34.0105 173.7310 6 A 3.7853 9.0627 115.2271 51.2187 16.8025 179.3329 7 G 4.5356 7.8411 116.5541 48.2643 0.0000 174.4395 8 I 3.8566 7.6266 118.8948 59.6511 36.8601 178.3308 9 S 4.9426 8.2447 116.0581 56.8753 66.5993 174.4594 10 Y 4.4135 8.6918 122.8529 61.3725 38.3601 178.5652 11 A 3.8733 8.0863 120.6906 54.9717 18.4511 179.2924 12 A 4.0127 7.6556 119.5152 54.9063 18.5138 179.3722 13 Y 4.1379 8.4017 118.9201 61.0433 38.9121 178.1548 14 L 3.3928 7.4821 119.8301 57.2675 41.4696 178.7249 15 N 4.1351 7.9519 117.1497 56.9346 38.8407 176.7688 16 V 3.4829 7.3653 117.6994 66.1644 31.5866 177.7930 17 A 3.9933 7.3471 118.5519 54.4093 18.0900 178.9611 18 A 4.1250 8.4275 118.6659 53.7882 18.7790 178.6871 19 Q 3.9699 8.3043 117.6569 57.1804 29.9986 176.8777 20 A 4.2078 7.7108 120.0644 53.5924 18.6985 178.5749 21 I 4.1130 7.2233 111.8560 63.3944 38.3451 178.7101 22 R 4.1856 7.5682 124.0745 61.1316 29.1826 182.1434 23 S 5.0049 7.5013 112.8696 57.7690 62.7852 179.2703 24 S 4.7571 7.6596 115.5863 58.9040 63.4665 173.1986 25 L 4.6321 7.6040 127.9872 53.3433 45.5950 177.2495 26 K 3.8431 8.7930 118.8482 57.4626 31.6761 176.1902 27 T 3.9941 8.9364 118.9827 63.7518 68.4883 172.6889 28 E 4.1910 8.2488 118.7858 59.2773 29.9719 181.3278 29 L 4.1837 8.2131 120.7597 57.2136 41.1368 181.5061 30 Q 4.2872 7.7244 115.0566 55.4334 26.0566 180.8749 31 T 4.2625 7.8232 119.9863 60.5718 68.0168 174.8225 32 A 4.0255 8.4510 123.9427 54.9853 18.4875 179.1219 33 S 4.2089 8.0342 107.7834 58.8478 63.6252 174.5773 34 V 4.1034 7.5282 124.6656 64.9003 32.6800 178.3991 35 L 4.0376 7.4615 120.1563 57.3004 40.7829 181.6206 36 N 4.5091 8.0344 114.7259 54.9871 38.7487 175.7219 37 R 4.2888 7.5895 116.7990 56.7809 30.4050 176.4185 38 S 4.5633 8.0308 112.6353 59.0493 64.7188 173.9367 39 Q 4.4432 7.9643 121.8041 53.8732 29.6347 181.1077 40 T 4.4807 8.1977 115.8276 58.2193 70.2617 170.0611 41 D 4.5312 8.5123 126.0022 53.5391 41.1969 176.8963 42 A 4.0762 7.2222 122.3444 51.8879 19.6028 177.1055 43 F 5.3861 8.4407 117.8888 55.9823 43.6870 173.8151 44 Y 5.0247 8.5892 117.6473 56.1301 40.7436 174.5325 45 T 4.8961 8.9018 122.1189 62.4505 71.2388 174.6753 46 Q 4.5928 8.6013 126.3287 55.7478 29.8481 172.4822 47 Y 4.5953 8.6921 120.0583 56.7670 41.2772 175.7945 48 K 4.6522 8.4110 125.6379 53.4368 36.3986 172.4336 49 N 4.0868 9.4463 123.2093 53.2854 36.9019 176.3410 *53 A 4.0874 8.9227 121.6423 52.7939 20.3231 177.2728 54 S 3.8410 8.3090 116.5287 57.1093 64.3849 174.1819 55 E 4.4569 7.3360 120.0112 54.1669 31.4459 174.7165 56 P 4.7203 0.0000 0.0000 64.5268 31.7306 175.3868 57 T 4.5115 7.4285 113.6335 60.6544 70.6417 171.9639 58 P 5.1231 0.0000 0.0000 61.6871 31.2438 174.3619 59 I 3.8945 7.0423 118.0408 60.4952 36.8230 176.7852 60 T 5.1212 8.0413 114.7224 62.7809 68.9664 175.1014 61 K 4.4045 8.3948 125.3648 54.7671 32.7610 176.8236 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 4 R 8.25 4.37 0.00 1.82 2.05 0.00 2.21 0.00 0.00 2.97 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.54 0.00 5 K 7.50 4.44 0.00 1.72 1.66 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.55 7.81 6 A 9.06 3.79 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 7 G 7.84 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.63 3.86 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 0.73 0.91 0.00 0.00 9 S 8.24 4.94 0.00 4.08 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 10 Y 8.69 4.41 0.00 3.05 3.10 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 0.00 11 A 8.09 3.87 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.66 4.01 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 13 Y 8.40 4.14 0.00 2.96 3.20 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 14 L 7.48 3.39 0.00 1.58 1.40 0.44 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.95 4.14 0.00 2.80 2.92 0.00 0.00 6.75 7.72 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 16 V 7.37 3.48 2.15 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 0.94 0.00 0.00 1.00 0.00 0.00 17 A 7.35 3.99 1.10 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 0.00 0.00 0.00 18 A 8.43 4.12 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 19 Q 8.30 3.97 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 20 A 7.71 4.21 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 21 I 7.22 4.11 1.84 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 1.57 0.64 0.91 0.00 0.00 22 R 7.57 4.19 0.00 1.77 1.89 0.00 3.25 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 23 S 7.50 5.00 0.00 3.66 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 24 S 7.66 4.76 0.00 3.92 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.60 4.63 0.00 1.63 1.43 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.79 3.84 0.00 1.67 1.78 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.05 7.81 27 T 8.94 3.99 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 28 E 8.25 4.19 0.00 1.98 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 2.23 1.87 0.00 29 L 8.21 4.18 0.00 1.63 1.61 0.92 0.71 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 30 Q 7.72 4.29 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.28 1.91 0.00 31 T 7.82 4.26 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 1.20 0.00 0.00 32 A 8.45 4.03 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 4.21 0.00 3.98 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 34 V 7.53 4.10 2.26 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 0.92 0.00 0.00 0.92 0.00 0.00 35 L 7.46 4.04 0.00 1.76 1.66 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.03 4.51 0.00 2.69 2.89 0.00 0.00 6.79 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 37 R 7.59 4.29 0.00 1.99 2.02 0.00 3.17 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 38 S 8.03 4.56 0.00 3.82 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 39 Q 7.96 4.44 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.75 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 40 T 8.20 4.48 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 41 D 8.51 4.53 0.00 2.57 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 42 A 7.22 4.08 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.44 5.39 0.00 2.89 3.03 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 44 Y 8.59 5.02 0.00 2.97 2.92 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 45 T 8.90 4.90 4.49 0.00 0.00 0.00 0.00 0.00 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 46 Q 8.60 4.59 0.00 1.70 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.21 0.00 47 Y 8.69 4.60 0.00 2.88 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 48 K 8.41 4.65 0.00 1.72 1.54 0.00 1.95 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 0.98 7.81 49 N 9.45 4.09 0.00 2.88 2.59 0.00 0.00 7.06 7.35 0.00 0.00 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 A 8.92 4.09 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 54 S 8.31 3.84 0.00 3.44 3.53 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 55 E 7.34 4.46 0.00 1.98 1.76 0.00 0.00 0.00 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 2.10 0.00 56 P 0.00 4.72 0.00 2.14 2.13 0.00 3.71 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 57 T 7.43 4.51 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 1.22 0.00 0.00 58 P 0.00 5.12 0.00 2.08 1.99 0.00 3.35 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 59 I 7.04 3.89 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 1.18 0.70 0.91 0.00 0.00 60 T 8.04 5.12 4.55 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 0.00 0.00 0.00 1.26 0.00 0.00 61 K 8.39 4.40 0.00 1.77 1.48 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.27 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.