NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2768 8.2649 123.5820 51.4349 20.4164 177.7928 2 V 3.5945 8.1742 109.9216 58.6889 32.9694 170.3951 3 V 4.3598 8.4710 122.4533 60.2156 33.9369 175.1612 4 A 4.7539 8.5096 123.4510 51.8270 19.9773 176.9933 5 S 4.7836 7.7271 113.5881 57.5499 65.4250 174.1895 6 E 4.6896 7.6570 125.5103 56.0992 29.5830 179.6153 7 L 4.4404 8.7195 114.1671 54.3042 42.0619 176.2456 8 R 4.3017 8.1744 120.7410 56.6981 29.9000 177.8209 9 C 4.7323 8.9324 128.6945 56.8306 45.4280 173.4801 10 Q 4.0350 8.7725 114.4105 57.8604 28.9761 176.1266 11 C 4.8600 7.7085 112.3178 55.5214 44.1228 173.3116 12 L 4.0293 8.6440 123.9371 58.2059 41.7893 176.7092 13 K 4.5271 7.4206 114.3379 56.6964 35.3640 174.6278 14 T 4.7603 8.0783 107.2028 61.6781 71.0094 172.4025 15 L 4.7923 8.2960 122.8936 52.5056 43.7956 176.0811 16 P 4.4301 0.0000 0.0000 64.6499 32.4914 176.7067 17 R 4.8691 7.7704 116.4212 55.1766 30.7648 173.4818 18 V 3.6703 7.7093 114.9325 61.3593 33.3708 173.9877 19 D 4.6695 8.4062 122.2019 54.2955 39.5121 176.0328 20 F 3.2397 10.4688 121.9752 61.3548 39.5433 175.8864 21 K 3.4891 8.3857 122.5865 59.6818 32.6795 177.7332 22 N 4.7688 8.4917 117.0335 54.5664 39.0663 172.4177 23 I 3.9991 7.7223 122.6278 61.4450 36.4717 174.5379 24 Q 4.5546 9.3390 126.3757 55.4401 29.5988 174.6794 25 S 4.6561 7.4679 110.6772 58.6759 65.7755 174.3455 26 L 5.0400 8.3067 119.0082 53.8007 46.0675 176.0336 27 S 4.3721 9.0393 116.3986 57.4906 65.4574 172.6954 28 V 4.8087 8.4153 127.6913 61.4630 33.1648 174.6391 29 T 4.8574 8.9169 121.9232 59.5503 71.2072 171.3177 30 P 4.9180 0.0000 0.0000 61.8103 32.7345 173.6670 31 P 4.5087 0.0000 0.0000 62.5427 32.6688 174.9382 32 G 4.0049 7.8431 108.0908 44.3114 0.0000 171.1453 33 P 4.6553 0.0000 0.0000 62.0470 31.4456 175.7151 34 H 4.5811 7.7939 124.4392 57.7455 30.5431 177.2645 35 C 4.3724 7.1511 119.9049 56.5412 43.4066 173.6413 36 A 3.7271 7.3673 118.3957 51.7906 16.4845 175.8764 37 Q 4.5780 7.5348 111.4796 56.8075 31.2872 174.1190 38 T 4.1387 8.2571 118.9483 64.5261 69.8230 172.4723 39 E 4.6617 9.1517 124.0566 54.8445 34.1569 173.8106 40 V 5.0325 8.2150 122.9853 61.4008 36.1560 174.2075 41 I 5.4806 9.5470 122.5247 59.5810 40.6973 174.4431 42 A 5.1270 8.6530 128.8889 50.4311 21.7768 175.1081 43 T 4.8223 8.8359 117.0302 61.9275 71.6788 173.8843 44 L 5.2385 8.1438 123.6687 52.7475 45.4210 175.6793 45 K 4.3414 8.5372 120.4296 57.3589 31.5899 176.3869 46 G 3.4227 10.1085 117.2624 44.9163 0.0000 173.5058 47 G 4.2113 7.4165 110.2220 45.2106 0.0000 174.4912 48 Q 4.2849 7.6008 115.1043 55.8012 31.0601 173.8950 49 K 4.8532 7.9068 124.0065 54.6284 35.3652 175.0985 50 V 4.3128 8.0155 117.9113 61.9457 36.1102 170.1077 51 C 5.5562 8.6335 116.9993 55.8038 38.4175 173.2085 52 L 5.1768 7.8914 122.6610 54.1681 43.8963 174.0821 53 D 4.2567 9.9751 119.5107 50.3521 44.9323 174.6285 54 P 5.0249 0.0000 0.0000 61.0853 29.8399 175.8883 55 E 3.9360 8.3234 119.8464 56.8394 28.7316 176.0175 56 A 4.6344 7.5567 118.6560 52.6047 16.1871 176.1639 57 P 4.2163 0.0000 0.0000 65.1151 32.4195 178.9639 58 L 4.0168 7.9084 120.3187 56.9919 42.2664 177.4687 59 V 4.0217 7.6692 115.7753 62.7714 31.4481 176.5827 60 Q 4.0119 8.1403 121.0748 60.4289 28.6275 178.3188 61 K 3.8033 8.2231 118.1659 60.2288 31.8528 178.8523 62 I 3.5235 7.6332 119.5341 64.3763 37.1895 178.4438 63 I 4.3152 8.1658 121.1345 64.7724 37.0811 178.1962 64 Q 3.9092 9.5177 119.0744 59.1182 28.2587 179.4869 65 K 4.0320 8.0889 120.1134 59.3036 32.3903 178.4017 66 I 4.0182 8.7594 119.6339 63.8784 37.6994 177.8605 67 L 4.0498 7.9062 118.8053 57.0856 41.7804 177.6567 68 N 4.7579 8.4698 115.3926 53.7136 38.7364 175.7283 69 K 4.6335 7.5422 117.6133 57.3491 32.0069 177.0728 70 G 4.0684 7.3785 107.6546 45.3376 0.0000 174.9146 71 K 4.2544 7.9198 119.5111 56.2407 31.3912 176.8263 72 A 4.4450 7.7720 122.5120 53.0877 21.3162 177.3796 *73 N 4.5499 8.0782 117.1019 52.4527 38.3783 179.7134 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 1.54 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 1.72 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 10.47 3.24 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 3.49 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 8.93 0.00 0.00 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 8.31 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 8.42 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 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 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 5.03 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 9.55 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 0.77 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 7.42 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 8.02 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 0.66 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 9.98 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 5.02 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 9.52 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 6.83 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 5.75 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 69 K 7.54 4.63 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.