NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.3607 7.8676 121.0479 61.3251 40.0548 173.6615 2 T 4.8635 9.0685 116.0056 59.9377 71.3297 171.4369 3 C 5.1550 9.5644 121.0770 55.5243 45.8980 173.8641 4 Y 4.9519 8.7078 118.1088 57.7483 38.5968 175.7250 5 K 4.7811 9.3839 121.8871 54.9901 35.9968 176.3228 6 T 4.2974 8.4012 119.6084 60.7309 68.1135 172.6978 7 P 4.4746 0.0000 0.0000 63.7659 31.6890 176.9180 8 I 4.2447 7.6711 119.1916 60.3968 38.4736 172.3622 9 I 3.5479 7.4219 124.2711 59.3726 36.9188 174.9331 10 T 4.8102 8.4481 114.3741 60.5386 72.4373 172.2108 11 S 5.0295 8.6071 117.1678 56.6785 64.2316 172.8638 12 E 4.8274 8.9886 125.7776 54.5469 34.1176 175.1669 13 T 4.4396 8.3913 118.2408 63.9590 69.1835 175.3368 14 C 4.7396 8.6064 122.8881 55.8394 42.2709 173.6625 15 A 4.2819 8.6031 123.6342 50.9746 18.7849 175.4874 16 P 4.5280 0.0000 0.0000 64.4804 31.6861 175.4706 17 G 4.0787 9.0517 108.6150 45.7607 0.0000 173.6945 18 Q 4.4086 7.7890 118.8955 55.1777 29.0859 175.0602 19 N 5.1798 8.7309 120.0662 52.6878 40.2877 174.0091 20 L 5.0818 8.1869 117.4344 53.5020 46.8976 174.6109 21 C 5.6420 9.1670 117.8566 55.5191 39.5685 172.8465 22 Y 5.4741 8.3537 118.6009 55.7759 41.9029 174.0249 23 T 4.9913 8.8753 117.4609 61.8512 71.7076 172.8867 24 K 5.3263 10.0102 129.2864 54.8438 35.4040 174.9588 25 T 5.5270 9.2863 116.5916 58.7822 73.0219 172.3182 26 W 4.8097 7.7988 115.5098 56.1985 30.7511 174.7816 27 C 4.9540 9.2525 119.4914 56.8929 42.3960 171.7276 28 D 4.9303 8.3963 118.0690 52.8764 44.5855 176.3723 29 A 4.0550 8.7145 121.9469 53.9050 18.5294 178.2180 30 W 4.7909 8.0259 115.0226 56.3481 30.2008 177.9892 31 C 4.6076 8.5919 122.7587 59.6457 43.1923 176.2363 32 G 3.5049 8.1360 107.7964 47.8503 0.0000 174.8219 33 S 4.4153 8.1776 113.5988 60.7441 63.7569 175.6829 34 R 4.0108 8.4506 119.7007 55.9395 30.2579 177.2138 35 G 3.8948 7.9016 103.1871 43.9989 0.0000 172.7350 36 K 4.3250 8.0091 117.7001 56.3902 33.1735 177.3183 37 V 4.1832 8.5087 115.4248 60.0287 33.5230 175.4624 38 I 4.8362 7.8506 116.1317 59.0259 40.5613 174.1022 39 E 4.8459 9.6072 125.3008 54.4901 33.1634 174.3027 40 L 5.3035 7.6090 124.9403 52.0947 46.1484 176.2248 41 G 4.0630 6.6072 106.4787 46.6052 0.0000 172.6080 42 C 5.4153 8.9369 116.5591 56.2224 36.3181 173.3640 43 A 4.8754 9.0093 121.7505 51.0288 22.1205 177.4077 44 A 4.1117 8.7695 123.2003 54.2009 19.3802 178.2410 45 T 4.6224 7.4288 107.7286 59.7702 70.5609 173.7909 46 C 4.2456 8.8499 127.5048 56.1176 44.0351 171.6911 47 P 4.3194 0.0000 0.0000 62.9300 31.4677 176.1030 48 T 4.2281 8.1354 112.4941 61.0366 69.9231 173.9601 49 V 4.3180 7.7663 115.4829 59.3424 35.3351 174.8850 50 E 4.2673 7.8062 119.4739 55.3539 30.3798 177.8097 51 S 4.0602 8.6300 115.4572 61.7118 62.3551 174.6602 52 Y 4.5649 7.8868 115.0816 57.1313 37.9913 174.4104 53 Q 4.9351 7.6126 119.2084 54.4915 32.1042 174.5075 54 D 5.1235 9.0696 119.9476 52.8206 44.7027 175.0271 55 I 5.1996 8.1735 120.1140 59.7334 41.8790 174.2388 56 K 4.5603 8.9931 128.2212 55.6365 35.3786 174.2407 57 C 5.6056 8.9609 124.9133 55.7808 43.3720 171.5401 58 C 5.1411 9.5115 115.4972 53.8472 45.6225 174.0411 59 S 4.9753 8.5539 110.6330 57.9222 63.3637 173.5954 60 T 4.6527 7.6583 109.8228 59.9035 71.2094 172.7210 61 D 4.4427 8.8158 122.6783 56.7468 41.1927 176.3335 62 N 3.9189 8.6090 120.2198 54.2577 36.7392 172.8123 63 C 4.5981 7.9078 110.9620 56.4494 42.6804 173.1955 64 N 4.9968 7.8189 117.0613 51.0558 36.4936 171.9447 65 P 3.8551 0.0000 0.0000 62.6943 33.1388 176.3906 66 H 4.2428 7.9058 118.9376 55.4917 30.3321 173.6854 67 P 4.7812 0.0000 0.0000 63.2124 30.8849 176.4315 68 K 4.7188 7.9528 117.7278 57.2499 35.1528 178.3128 *69 Q 4.1320 8.6689 120.3977 56.1702 26.8004 183.5308 *70 K 4.3655 8.6597 116.4836 56.3698 36.6649 175.2719 *71 R 4.2956 9.2216 129.9120 55.4779 34.2665 169.1739 72 P 4.4720 0.0000 0.0000 62.7701 30.7046 174.8804 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 I 7.87 4.36 1.86 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 1.36 1.45 0.95 0.00 0.00 2 T 9.07 4.86 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 1.14 0.00 0.00 3 C 9.56 5.15 0.00 2.75 2.86 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 4 Y 8.71 4.95 0.00 3.20 2.81 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 5 K 9.38 4.78 0.00 1.61 1.66 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.33 7.81 6 T 8.40 4.30 4.26 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 1.31 0.00 0.00 7 P 0.00 4.47 0.00 2.22 2.16 0.00 3.85 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 8 I 7.67 4.24 1.85 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 1.40 0.65 0.90 0.00 0.00 9 I 7.42 3.55 1.80 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 0.99 1.19 0.85 0.00 0.00 10 T 8.45 4.81 4.26 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 1.29 0.00 0.00 11 S 8.61 5.03 0.00 3.26 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.99 4.83 0.00 1.85 1.72 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 2.19 2.25 0.00 13 T 8.39 4.44 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 1.19 0.00 0.00 14 C 8.61 4.74 0.00 3.00 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 15 A 8.60 4.28 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 16 P 0.00 4.53 0.00 2.19 2.08 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 17 G 9.05 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.79 4.41 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.27 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 19 N 8.73 5.18 0.00 2.56 2.77 0.00 0.00 6.92 7.85 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 20 L 8.19 5.08 0.00 1.70 1.63 1.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 21 C 9.17 5.64 0.00 2.84 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 22 Y 8.35 5.47 0.00 3.06 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 23 T 8.88 4.99 4.31 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 1.24 0.00 0.00 24 K 10.01 5.33 0.00 1.88 2.12 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.89 1.83 7.81 25 T 9.29 5.53 4.29 0.00 0.00 0.00 0.00 0.00 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 26 W 7.80 4.81 0.00 3.58 3.26 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 27 C 9.25 4.95 0.00 3.03 3.19 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 0.00 28 D 8.40 4.93 0.00 2.83 2.76 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 0.00 0.00 0.00 29 A 8.71 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 W 8.03 4.79 0.00 3.42 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 31 C 8.59 4.61 0.00 3.39 3.13 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 32 G 8.14 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 4.42 0.00 4.06 4.06 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 34 R 8.45 4.01 0.00 1.94 2.00 0.00 2.90 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 35 G 7.90 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.01 4.33 0.00 1.57 1.86 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.46 7.81 37 V 8.51 4.18 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 -0.64 0.00 0.00 38 I 7.85 4.84 1.78 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 1.13 0.71 0.78 0.00 0.00 39 E 9.61 4.85 0.00 2.22 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 0.00 2.52 2.47 0.00 40 L 7.61 5.30 0.00 1.55 1.53 0.95 1.06 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 41 G 6.61 4.06 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 0.00 0.00 0.00 42 C 8.94 5.42 0.00 2.91 3.17 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 0.00 43 A 9.01 4.88 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 44 A 8.77 4.11 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 45 T 7.43 4.62 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 46 C 8.85 4.25 0.00 2.98 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 47 P 0.00 4.32 0.00 1.79 1.70 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.82 0.00 48 T 8.14 4.23 4.18 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 0.00 0.00 1.17 0.00 0.00 49 V 7.77 4.32 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 0.65 0.00 0.00 0.84 0.00 0.00 50 E 7.81 4.27 0.00 1.28 1.70 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 2.10 2.21 0.00 51 S 8.63 4.06 0.00 3.84 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 52 Y 7.89 4.56 0.00 3.26 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.61 4.94 0.00 1.69 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.67 0.00 0.00 0.00 0.00 0.00 1.91 1.18 0.00 54 D 9.07 5.12 0.00 2.60 2.55 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 0.00 55 I 8.17 5.20 1.86 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.05 0.90 0.00 0.00 56 K 8.99 4.56 0.00 1.93 1.64 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.50 7.81 57 C 8.96 5.61 0.00 2.92 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 58 C 9.51 5.14 0.00 2.90 3.16 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 59 S 8.55 4.98 0.00 3.95 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 60 T 7.66 4.65 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 61 D 8.82 4.44 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.61 3.92 0.00 2.71 2.65 0.00 0.00 7.05 7.49 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 63 C 7.91 4.60 0.00 3.09 3.28 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 64 N 7.82 5.00 0.00 2.82 2.87 0.00 0.00 6.14 7.75 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 65 P 0.00 3.86 0.00 1.97 1.94 0.00 3.87 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 66 H 7.91 4.24 0.00 3.10 3.04 0.00 5.86 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.78 0.00 2.16 2.04 0.00 3.19 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 68 K 7.95 4.72 0.00 1.80 1.77 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.37 1.51 7.81 *69 Q 8.67 4.13 0.00 2.07 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.90 0.00 0.00 0.00 0.00 0.00 2.29 1.94 0.00 *70 K 8.66 4.37 0.00 1.71 1.57 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.12 0.84 7.81 *71 R 9.22 4.30 0.00 1.76 1.02 0.00 3.25 0.00 0.00 3.22 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.06 0.00 72 P 0.00 4.47 0.00 2.07 2.12 0.00 3.67 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 1.99 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.