NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2767 8.2649 123.5820 51.4342 20.4207 177.7919 2 V 3.5944 8.1706 109.9267 58.6908 32.9683 170.3953 3 V 4.3598 8.4703 122.4506 60.2165 33.9366 175.1623 4 A 4.7533 8.5088 123.4359 51.8272 19.9792 176.9925 5 S 4.7826 7.7271 113.5865 57.5449 65.4240 174.1908 6 E 4.6900 7.6572 125.5373 56.0955 29.5817 179.6186 7 L 4.4407 8.7184 114.1625 54.3040 42.0549 176.2386 8 R 4.3033 8.1716 120.7621 56.6949 29.8999 177.8300 9 C 4.7345 8.9329 128.7067 56.8281 45.4191 173.4755 10 Q 4.0343 8.7738 114.4088 57.8711 28.9747 176.1333 11 C 4.8603 7.7105 112.3140 55.5190 44.1218 173.3096 12 L 4.0275 8.6434 123.9478 58.2093 41.7864 176.7109 13 K 4.5281 7.4210 114.3305 56.6957 35.3694 174.6237 14 T 4.7602 8.0777 107.1940 61.6751 71.0082 172.4045 15 L 4.7914 8.2967 122.8962 52.5105 43.7917 176.0761 16 P 4.4320 0.0000 0.0000 64.6357 32.4953 176.7013 17 R 4.8698 7.7722 116.4210 55.1845 30.7507 173.4863 18 V 3.6694 7.7085 114.9304 61.3526 33.3808 173.9935 19 D 4.6684 8.4080 122.2129 54.2979 39.5041 176.0406 20 F 3.2341 10.4789 121.8949 61.3537 39.5504 175.8893 21 K 3.5022 8.3881 122.6006 59.6815 32.6822 177.7282 22 N 4.7689 8.4945 117.0395 54.5722 39.0673 172.4204 23 I 3.9983 7.7154 122.6149 61.4335 36.4649 174.5408 24 Q 4.5542 9.3394 126.3883 55.4505 29.6002 174.6761 25 S 4.6558 7.4710 110.6912 58.6827 65.7842 174.3227 26 L 5.0377 8.3036 118.9968 53.8032 46.0636 176.0325 27 S 4.3716 9.0391 116.4074 57.4908 65.4531 172.6939 28 V 4.8072 8.4144 127.6904 61.4630 33.1669 174.6397 29 T 4.8573 8.9151 121.9150 59.5538 71.2085 171.3170 30 P 4.9177 0.0000 0.0000 61.8099 32.7366 173.6659 31 P 4.5091 0.0000 0.0000 62.5380 32.6723 174.9360 32 G 4.0073 7.8438 108.0946 44.3109 0.0000 171.1427 33 P 4.6555 0.0000 0.0000 62.0617 31.4590 175.7234 34 H 4.5800 7.7962 124.4071 57.7476 30.5518 177.2562 35 C 4.3717 7.1499 119.9000 56.5415 43.4069 173.6404 36 A 3.7286 7.3650 118.4065 51.7913 16.4853 175.8797 37 Q 4.5785 7.5330 111.4545 56.8047 31.2808 174.1197 38 T 4.1389 8.2555 118.9453 64.5247 69.8232 172.4731 39 E 4.6616 9.1511 124.0570 54.8430 34.1565 173.8140 40 V 5.0351 8.2146 122.9929 61.4004 36.1553 174.2057 41 I 5.4824 9.5446 122.5135 59.5810 40.6967 174.4442 42 A 5.1272 8.6532 128.8873 50.4305 21.7807 175.1064 43 T 4.8218 8.8358 117.0246 61.9265 71.6800 173.8842 44 L 5.2379 8.1438 123.6715 52.7518 45.4176 175.6765 45 K 4.3446 8.5414 120.4292 57.3494 31.5927 176.3899 46 G 3.4234 10.1097 117.2373 44.9065 0.0000 173.5145 47 G 4.2119 7.4279 110.2238 45.2108 0.0000 174.4680 48 Q 4.2842 7.6002 115.0863 55.8047 31.0601 173.8905 49 K 4.8548 7.9089 124.0067 54.6293 35.3660 175.0980 50 V 4.3131 8.0138 117.9110 61.9437 36.1060 170.1111 51 C 5.5565 8.6347 116.9973 55.8032 38.4145 173.2114 52 L 5.1762 7.8949 122.6647 54.1694 43.8912 174.0833 53 D 4.2580 9.9676 119.5269 50.3542 44.9289 174.6293 54 P 5.0259 0.0000 0.0000 61.0862 29.8398 175.8902 55 E 3.9352 8.3227 119.8468 56.8415 28.7328 176.0188 56 A 4.6344 7.5566 118.6607 52.6059 16.1880 176.1651 57 P 4.2162 0.0000 0.0000 65.1153 32.4196 178.9625 58 L 4.0166 7.9090 120.3147 56.9948 42.2665 177.4687 59 V 4.0215 7.6694 115.7742 62.7727 31.4513 176.5830 60 Q 4.0123 8.1383 121.0733 60.4325 28.6273 178.3145 61 K 3.8023 8.2241 118.1606 60.2306 31.8519 178.8485 62 I 3.5231 7.6336 119.5615 64.3772 37.1900 178.4440 63 I 4.3155 8.1676 121.1380 64.7723 37.0813 178.1931 64 Q 3.9063 9.5143 119.0802 59.1221 28.2592 179.4882 65 K 4.0327 8.0909 120.1090 59.2992 32.3889 178.4014 66 I 4.0184 8.7600 119.6402 63.8769 37.6998 177.8599 67 L 4.0493 7.9063 118.8035 57.0858 41.7777 177.6574 68 N 4.7578 8.4701 115.3946 53.7143 38.7363 175.7300 69 K 4.6394 7.5415 117.6053 57.3521 32.0037 177.0741 70 G 4.0683 7.3807 107.6325 45.3368 0.0000 174.9143 71 K 4.2545 7.9196 119.5162 56.2398 31.3901 176.8264 72 A 4.4450 7.7717 122.5173 53.0885 21.3197 177.3788 *73 N 4.5499 8.0784 117.0990 52.4542 38.3783 179.7110 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 A 8.26 4.28 1.24 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 0.00 0.00 0.00 2 V 8.17 3.59 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 0.63 0.00 0.00 0.93 0.00 0.00 3 V 8.47 4.36 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 0.78 0.00 0.00 0.99 0.00 0.00 4 A 8.51 4.75 1.24 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 0.00 0.00 0.00 5 S 7.73 4.78 0.00 3.94 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 6 E 7.66 4.69 0.00 2.01 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 2.16 2.23 0.00 7 L 8.72 4.44 0.00 1.67 1.73 0.92 0.88 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 8 R 8.17 4.30 0.00 1.89 1.53 0.00 3.20 0.00 0.00 3.27 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 9 C 8.93 4.73 0.00 2.87 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 10 Q 8.77 4.03 0.00 2.09 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 11 C 7.71 4.86 0.00 3.21 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 12 L 8.64 4.03 0.00 1.58 1.73 0.96 0.54 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 13 K 7.42 4.53 0.00 1.73 1.69 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.37 7.81 14 T 8.08 4.76 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 1.28 0.00 0.00 15 L 8.30 4.79 0.00 1.79 1.62 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.43 0.00 2.20 2.19 0.00 3.83 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 17 R 7.77 4.87 0.00 1.79 1.89 0.00 3.14 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.41 0.00 18 V 7.71 3.67 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 0.83 0.00 0.00 0.89 0.00 0.00 19 D 8.41 4.67 0.00 2.73 2.60 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 20 F 10.48 3.23 0.00 3.07 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.39 3.50 0.00 1.83 1.96 0.00 1.85 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.55 7.81 22 N 8.49 4.77 0.00 3.17 2.79 0.00 0.00 7.03 8.94 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 23 I 7.72 4.00 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.33 0.65 0.00 0.00 24 Q 9.34 4.55 0.00 1.90 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 25 S 7.47 4.66 0.00 3.84 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 26 L 8.30 5.04 0.00 1.44 1.51 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 S 9.04 4.37 0.00 3.98 3.66 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 0.00 0.00 0.00 0.00 28 V 8.41 4.81 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 0.78 0.00 0.00 0.93 0.00 0.00 29 T 8.92 4.86 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 1.30 0.00 0.00 30 P 0.00 4.92 0.00 2.11 2.04 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 31 P 0.00 4.51 0.00 2.04 2.32 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 32 G 7.84 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.66 0.00 2.23 2.16 0.00 3.99 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 34 H 7.80 4.58 0.00 3.60 3.54 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 C 7.15 4.37 0.00 2.57 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 36 A 7.37 3.73 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 37 Q 7.53 4.58 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.41 6.76 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 38 T 8.26 4.14 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 1.28 0.00 0.00 39 E 9.15 4.66 0.00 1.95 1.90 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 2.19 2.39 0.00 40 V 8.21 5.04 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 0.91 0.00 0.00 1.01 0.00 0.00 41 I 9.54 5.48 1.86 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 1.11 0.79 0.93 0.00 0.00 42 A 8.65 5.13 1.15 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 0.00 0.00 0.00 0.00 0.00 43 T 8.84 4.82 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 1.19 0.00 0.00 44 L 8.14 5.24 0.00 1.64 1.55 0.91 1.10 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 45 K 8.54 4.34 0.00 1.90 1.74 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.49 7.81 46 G 10.11 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.43 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.60 4.28 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 49 K 7.91 4.85 0.00 1.67 1.68 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.55 7.81 50 V 8.01 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 0.69 0.00 0.00 0.93 0.00 0.00 51 C 8.63 5.56 0.00 2.88 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 52 L 7.89 5.18 0.00 1.82 1.75 1.03 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 53 D 9.97 4.26 0.00 3.03 2.68 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 0.00 0.00 0.00 0.00 54 P 0.00 5.03 0.00 2.26 2.29 0.00 4.01 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.91 0.00 55 E 8.32 3.94 0.00 2.26 2.23 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 2.16 2.44 0.00 56 A 7.56 4.63 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.22 0.00 2.20 2.19 0.00 4.09 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 58 L 7.91 4.02 0.00 1.63 1.74 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.67 4.02 2.10 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 1.17 0.00 0.00 0.98 0.00 0.00 60 Q 8.14 4.01 0.00 2.39 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 61 K 8.22 3.80 0.00 1.78 1.80 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.49 7.81 62 I 7.63 3.52 1.78 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.49 -0.66 0.00 0.00 63 I 8.17 4.32 2.18 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.81 1.04 0.00 0.00 64 Q 9.51 3.91 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 65 K 8.09 4.03 0.00 1.94 2.04 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.58 7.81 66 I 8.76 4.02 2.25 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.90 0.90 0.00 0.00 67 L 7.91 4.05 0.00 1.78 1.73 1.00 0.98 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 68 N 8.47 4.76 0.00 2.98 2.79 0.00 0.00 7.18 5.74 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 69 K 7.54 4.64 0.00 1.94 1.84 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.66 7.81 70 G 7.38 4.07 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 0.00 0.00 0.00 71 K 7.92 4.25 0.00 1.91 1.79 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 72 A 7.77 4.45 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 *73 N 8.08 4.55 0.00 2.50 2.65 0.00 0.00 6.55 7.56 0.00 0.00 0.00 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.