NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 C 4.7459 8.4393 118.1691 57.5995 41.0367 174.9257 10 T 3.8760 8.7413 114.3611 64.0826 69.3927 173.7287 11 C 4.4704 9.2998 121.1215 56.4490 41.3534 174.5560 12 I 3.8485 8.2039 124.6549 61.5896 38.2852 175.5036 13 S 4.4862 7.4150 109.8296 58.1274 64.9550 175.6295 14 I 4.2596 8.3636 125.3656 60.2358 38.6346 174.8495 15 S 4.7463 7.9672 116.9194 56.8324 64.4740 174.3768 16 N 4.7975 8.5720 122.6155 53.2192 39.1514 175.4460 17 Q 4.1265 7.8725 118.9501 55.0675 29.2756 174.6973 18 P 4.4484 0.0000 0.0000 62.3990 32.1237 175.9555 19 V 4.3146 7.9358 119.8598 60.8109 34.1202 174.5998 20 N 4.5190 8.7417 126.3001 52.4507 39.6889 173.0224 21 P 4.2178 0.0000 0.0000 66.2851 30.9861 178.2968 22 R 4.0700 8.0596 114.6518 57.3946 30.1416 177.0153 23 S 4.6519 8.3204 113.9468 57.9565 63.8483 173.3917 24 L 4.5928 8.3184 122.5693 54.2710 42.0228 176.0491 25 E 4.3689 8.9844 126.3732 58.0161 30.0697 176.5609 26 K 4.6083 7.7192 117.6380 55.3746 36.0245 173.7567 27 L 4.7524 8.5917 126.6175 53.3978 43.8748 174.7998 28 E 4.7512 9.1069 126.6365 54.3683 32.7212 174.2722 29 I 4.8845 8.4639 126.7711 59.7834 39.6004 175.5349 30 I 4.5308 8.8282 129.0593 57.8381 38.1108 173.1994 31 P 4.5551 0.0000 0.0000 62.4550 32.0732 175.6292 32 A 4.1193 8.6868 122.4131 53.0914 18.5832 177.5052 33 S 4.6059 8.4219 118.9628 57.9027 65.6217 173.9333 34 Q 4.3465 8.6186 117.8632 57.1791 29.1473 175.8216 35 F 4.6028 7.9469 118.2972 55.9058 40.1560 175.1873 36 C 5.4075 7.7242 118.9207 55.7527 44.8188 171.6708 37 P 4.4383 0.0000 0.0000 63.2869 31.1827 176.2360 38 R 4.6880 8.0468 113.9415 54.5053 32.3173 175.0210 39 V 3.7894 8.3430 121.0607 64.1515 32.6543 175.3115 40 E 4.5020 8.4069 122.4097 55.8093 34.2856 174.6691 41 I 4.5686 8.5232 126.7766 59.7346 38.3497 173.5073 42 I 4.3994 8.6516 127.6959 60.0731 38.4884 174.8378 43 A 4.7654 8.9427 130.0327 51.0895 21.1206 176.0168 44 T 4.7587 8.2388 116.9321 61.9647 71.6333 173.7794 45 M 4.2474 9.5099 127.8998 55.0603 33.0592 176.6390 46 K 4.0722 8.8925 121.0491 57.6825 32.6802 177.6052 47 K 3.7879 8.3562 120.5818 58.2180 33.2574 177.2648 48 K 3.6305 9.7679 117.5246 55.3549 30.2646 175.8963 49 G 4.3691 12.0000 103.5022 46.1419 0.0000 173.5407 50 E 3.9354 8.2752 120.4201 56.5694 30.6519 175.3526 51 K 5.2100 8.6934 126.4305 54.7165 33.9424 175.7750 52 R 4.7342 8.6285 120.7546 54.7830 33.2984 174.3196 53 C 5.1863 8.6739 118.2357 56.3844 42.7026 172.1161 54 L 5.0041 8.2819 119.1002 52.7222 44.9894 176.3854 55 N 4.4096 8.8390 122.6849 53.1975 39.1383 173.7502 56 P 4.3269 0.0000 0.0000 65.7620 31.5401 177.6441 57 E 4.0632 9.0296 118.7243 59.1018 28.7732 177.1909 58 S 4.0756 7.8068 112.2802 57.9109 63.5161 175.4174 59 K 4.2327 8.7562 125.1466 59.3249 32.5263 179.3712 60 A 4.0683 7.9737 121.0820 54.7963 18.7446 179.4506 61 I 3.8278 7.3556 117.6130 64.3455 37.3023 178.5965 62 K 4.2132 8.0124 115.4516 56.7914 30.9610 176.6480 63 N 4.5058 8.3040 116.4271 52.6517 43.3655 175.9911 64 L 4.0284 7.6869 119.7308 58.5477 41.8267 178.7276 65 L 3.9827 7.7604 118.1142 57.7498 41.8135 178.8631 66 K 4.0155 8.1297 116.4096 59.8218 31.6952 178.3779 67 A 4.1892 7.7185 121.0533 54.4739 19.1827 178.4818 68 V 4.1897 7.5834 113.8131 61.5337 28.7607 175.4953 69 S 4.5116 7.5785 116.9449 57.8051 69.4556 174.6565 70 K 3.5803 7.6784 120.2694 58.0210 29.6903 175.8459 *71 E 4.1515 7.8488 116.1492 56.0335 30.3413 177.1780 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 9 C 8.44 4.75 0.00 3.19 3.05 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 0.00 0.00 0.00 10 T 8.74 3.88 4.25 0.00 0.00 0.00 0.00 0.00 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 9.30 4.47 0.00 3.01 3.08 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 12 I 8.20 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 0.79 0.91 0.00 0.00 13 S 7.42 4.49 0.00 3.95 3.77 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 14 I 8.36 4.26 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 0.58 0.94 0.00 0.00 15 S 7.97 4.75 0.00 3.85 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 16 N 8.57 4.80 0.00 2.74 2.83 0.00 0.00 7.03 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 7.87 4.13 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 18 P 0.00 4.45 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 7.94 4.31 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 0.96 0.00 0.00 20 N 8.74 4.52 0.00 2.84 2.68 0.00 0.00 6.91 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 4.22 0.00 2.25 2.32 0.00 3.76 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 2.08 2.02 0.00 22 R 8.06 4.07 0.00 1.82 2.03 0.00 3.16 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 23 S 8.32 4.65 0.00 3.99 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.32 4.59 0.00 1.88 1.61 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.98 4.37 0.00 1.97 2.14 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 2.29 2.25 0.00 26 K 7.72 4.61 0.00 1.81 1.84 0.00 1.54 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.43 7.81 27 L 8.59 4.75 0.00 1.65 1.59 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.11 4.75 0.00 2.04 1.85 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 2.18 2.25 0.00 29 I 8.46 4.88 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 1.35 0.80 0.91 0.00 0.00 30 I 8.83 4.53 1.88 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 1.29 1.00 0.92 0.00 0.00 31 P 0.00 4.56 0.00 2.07 2.08 0.00 3.81 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 2.00 2.01 0.00 32 A 8.69 4.12 1.29 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 0.00 0.00 0.00 33 S 8.42 4.61 0.00 4.05 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 4.35 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 7.52 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 35 F 7.95 4.60 0.00 2.98 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 36 C 7.72 5.41 0.00 2.99 2.98 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 37 P 0.00 4.44 0.00 2.08 2.06 0.00 3.97 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 2.01 1.92 0.00 38 R 8.05 4.69 0.00 1.76 1.84 0.00 3.10 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 39 V 8.34 3.79 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 40 E 8.41 4.50 0.00 2.06 1.80 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 0.00 2.24 2.45 0.00 41 I 8.52 4.57 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 1.35 0.93 0.91 0.00 0.00 42 I 8.65 4.40 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 0.62 0.91 0.00 0.00 43 A 8.94 4.77 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 8.24 4.76 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 1.21 0.00 0.00 45 M 9.51 4.25 0.00 1.87 2.09 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.82 0.00 46 K 8.89 4.07 0.00 1.76 1.70 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.60 7.81 47 K 8.36 3.79 0.00 1.85 1.77 0.00 1.69 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.54 7.81 48 K 9.77 3.63 0.00 1.84 1.72 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 0.99 7.81 49 G 12.00 4.37 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 0.00 50 E 8.28 3.94 0.00 2.03 1.86 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 2.38 2.31 0.00 51 K 8.69 5.21 0.00 1.66 1.71 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.40 7.81 52 R 8.63 4.73 0.00 1.86 1.96 0.00 2.76 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 53 C 8.67 5.19 0.00 3.05 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 54 L 8.28 5.00 0.00 1.56 1.51 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 55 N 8.84 4.41 0.00 2.98 2.73 0.00 0.00 6.64 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 56 P 0.00 4.33 0.00 2.21 2.19 0.00 3.82 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 1.99 2.00 0.00 57 E 9.03 4.06 0.00 1.96 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 2.62 2.39 0.00 58 S 7.81 4.08 0.00 3.82 3.87 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 0.00 0.00 0.00 59 K 8.76 4.23 0.00 1.83 1.83 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.38 7.81 60 A 7.97 4.07 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 61 I 7.36 3.83 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 1.41 1.07 0.91 0.00 0.00 62 K 8.01 4.21 0.00 1.79 1.83 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.48 1.56 7.81 63 N 8.30 4.51 0.00 2.62 2.70 0.00 0.00 6.87 6.22 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 64 L 7.69 4.03 0.00 2.02 1.64 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.76 3.98 0.00 1.64 1.71 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.13 4.02 0.00 1.72 1.89 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.45 1.52 7.81 67 A 7.72 4.19 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 68 V 7.58 4.19 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 0.70 0.00 0.00 1.00 0.00 0.00 69 S 7.58 4.51 0.00 4.06 3.76 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 70 K 7.68 3.58 0.00 1.71 1.80 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.36 7.81 *71 E 7.85 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.