# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for simnoesy.peaks atom: 2 2G-QA A 3.944 ambi=2 { CA:44.724 } atom: 5 3E-HA A 4.392 ambi=1 { CA:55.88 } ::sumAvg: 4.225 atom: 5 3E-HA A 4.392 ambi=1 { CA:55.88 } atom: 2 2G-QA A 3.944 ambi=2 { CA:44.724 } ::sumAvg: 4.225 atom: 2 2G-QA A 3.944 ambi=2 { CA:44.724 } atom: 6 3E-HB2 B 1.75 ambi=2 { CB:30.626 } :: atom: 2 2G-QA A 3.944 ambi=2 { CA:44.724 } atom: 7 3E-HB3 B 1.702 ambi=2 { CB:30.626 } ::sumAvg: 4.465 atom: 6 3E-HB2 B 1.75 ambi=2 { CB:30.626 } atom: 2 2G-QA A 3.944 ambi=2 { CA:44.724 } :: atom: 7 3E-HB3 B 1.702 ambi=2 { CB:30.626 } atom: 2 2G-QA A 3.944 ambi=2 { CA:44.724 } ::sumAvg: 4.465 atom: 2 2G-QA A 3.944 ambi=2 { CA:44.724 } atom: 9 3E-QG G 1.9685 ambi=2 { CG:35.476 } ::sumAvg: 4.4 atom: 9 3E-QG G 1.9685 ambi=2 { CG:35.476 } atom: 2 2G-QA A 3.944 ambi=2 { CA:44.724 } ::sumAvg: 4.4 atom: 2 2G-QA A 3.944 ambi=2 { CA:44.724 } atom: 14 4T-H N 8.819 ambi=1 { N:122.51 } ::sumAvg: 4.83 atom: 5 3E-HA A 4.392 ambi=1 { CA:55.88 } atom: 17 4T-HG2 G2 0.975 ambi=1 { CG2:20.82 } ::sumAvg: 4.755 atom: 5 3E-HA A 4.392 ambi=1 { CA:55.88 } atom: 16 4T-HB B 2.929 ambi=1 { CB:69.978 } ::sumAvg: 4.85 atom: 16 4T-HB B 2.929 ambi=1 { CB:69.978 } atom: 5 3E-HA A 4.392 ambi=1 { CA:55.88 } ::sumAvg: 4.85 atom: 5 3E-HA A 4.392 ambi=1 { CA:55.88 } atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } :: atom: 5 3E-HA A 4.392 ambi=1 { CA:55.88 } atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } ::sumAvg: 4.895 atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } atom: 5 3E-HA A 4.392 ambi=1 { CA:55.88 } :: atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } atom: 5 3E-HA A 4.392 ambi=1 { CA:55.88 } ::sumAvg: 4.895 atom: 6 3E-HB2 B 1.75 ambi=2 { CB:30.626 } atom: 15 4T-HA A 4.225 ambi=1 { CA:62.626 } :: atom: 7 3E-HB3 B 1.702 ambi=2 { CB:30.626 } atom: 15 4T-HA A 4.225 ambi=1 { CA:62.626 } ::sumAvg: 4.635 atom: 15 4T-HA A 4.225 ambi=1 { CA:62.626 } atom: 6 3E-HB2 B 1.75 ambi=2 { CB:30.626 } :: atom: 15 4T-HA A 4.225 ambi=1 { CA:62.626 } atom: 7 3E-HB3 B 1.702 ambi=2 { CB:30.626 } ::sumAvg: 4.635 atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } atom: 6 3E-HB2 B 1.75 ambi=2 { CB:30.626 } :: atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } atom: 6 3E-HB2 B 1.75 ambi=2 { CB:30.626 } :: atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } atom: 7 3E-HB3 B 1.702 ambi=2 { CB:30.626 } :: atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } atom: 7 3E-HB3 B 1.702 ambi=2 { CB:30.626 } ::sumAvg: 4.66 atom: 9 3E-QG G 1.9685 ambi=2 { CG:35.476 } atom: 15 4T-HA A 4.225 ambi=1 { CA:62.626 } ::sumAvg: 4.775 atom: 15 4T-HA A 4.225 ambi=1 { CA:62.626 } atom: 9 3E-QG G 1.9685 ambi=2 { CG:35.476 } ::sumAvg: 4.775 atom: 9 3E-QG G 1.9685 ambi=2 { CG:35.476 } atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } :: atom: 9 3E-QG G 1.9685 ambi=2 { CG:35.476 } atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } ::sumAvg: 4.25 atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } atom: 9 3E-QG G 1.9685 ambi=2 { CG:35.476 } :: atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } atom: 9 3E-QG G 1.9685 ambi=2 { CG:35.476 } ::sumAvg: 4.25 atom: 17 4T-HG2 G2 0.975 ambi=1 { CG2:20.82 } atom: 24 5V-HB B 1.819 ambi=1 { CB:33.724 } ::sumAvg: 4.74 atom: 24 5V-HB B 1.819 ambi=1 { CB:33.724 } atom: 17 4T-HG2 G2 0.975 ambi=1 { CG2:20.82 } ::sumAvg: 4.74 atom: 23 5V-HA A 4.797 ambi=1 { CA:60.724 } atom: 17 4T-HG2 G2 0.975 ambi=1 { CG2:20.82 } ::sumAvg: 3.805 atom: 23 5V-HA A 4.797 ambi=1 { CA:60.724 } atom: 14 4T-H N 8.819 ambi=1 { N:122.51 } ::sumAvg: 4.95 atom: 15 4T-HA A 4.225 ambi=1 { CA:62.626 } atom: 24 5V-HB B 1.819 ambi=1 { CB:33.724 } ::sumAvg: 4.61 atom: 24 5V-HB B 1.819 ambi=1 { CB:33.724 } atom: 15 4T-HA A 4.225 ambi=1 { CA:62.626 } ::sumAvg: 4.61 atom: 15 4T-HA A 4.225 ambi=1 { CA:62.626 } atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } :: atom: 15 4T-HA A 4.225 ambi=1 { CA:62.626 } atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } ::sumAvg: 3.685 atom: 15 4T-HA A 4.225 ambi=1 { CA:62.626 } atom: 23 5V-HA A 4.797 ambi=1 { CA:60.724 } ::sumAvg: 4.425 atom: 23 5V-HA A 4.797 ambi=1 { CA:60.724 } atom: 15 4T-HA A 4.225 ambi=1 { CA:62.626 } ::sumAvg: 4.425 atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } atom: 33 6V-HA A 4.383 ambi=1 { CA:60.511 } :: atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } atom: 33 6V-HA A 4.383 ambi=1 { CA:60.511 } ::sumAvg: 3.675 atom: 33 6V-HA A 4.383 ambi=1 { CA:60.511 } atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } :: atom: 33 6V-HA A 4.383 ambi=1 { CA:60.511 } atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } ::sumAvg: 3.675 atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } atom: 34 6V-HB B 2.023 ambi=1 { CB:33.952 } :: atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } atom: 34 6V-HB B 2.023 ambi=1 { CB:33.952 } ::sumAvg: 4.685 atom: 34 6V-HB B 2.023 ambi=1 { CB:33.952 } atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } :: atom: 34 6V-HB B 2.023 ambi=1 { CB:33.952 } atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } ::sumAvg: 4.685 atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } :: atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } ::sumAvg: 4.48 atom: 44 7R-HB2 B 1.66 ambi=2 { CB:33.74 } atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } :: atom: 45 7R-HB3 B 1.576 ambi=2 { CB:33.74 } atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } :: atom: 44 7R-HB2 B 1.66 ambi=2 { CB:33.74 } atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } :: atom: 45 7R-HB3 B 1.576 ambi=2 { CB:33.74 } atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } ::sumAvg: 4.075 atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } atom: 42 7R-H N 8.601 ambi=1 { N:125.676 } :: atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } atom: 42 7R-H N 8.601 ambi=1 { N:125.676 } ::sumAvg: 4.005 atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } :: atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } ::sumAvg: 4.26 atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } atom: 904 107R-QB B 1.7305 ambi=2 { CB:32.875 } :: atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } atom: 904 107R-QB B 1.7305 ambi=2 { CB:32.875 } ::sumAvg: 4.34 atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } atom: 906 107R-QG G 1.388 ambi=2 { CG:27.133 } :: atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } atom: 906 107R-QG G 1.388 ambi=2 { CG:27.133 } ::sumAvg: 3.795 atom: 906 107R-QG G 1.388 ambi=2 { CG:27.133 } atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } :: atom: 906 107R-QG G 1.388 ambi=2 { CG:27.133 } atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } ::sumAvg: 3.795 atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } atom: 908 107R-QD D 3.093 ambi=2 { CD:43.1 } :: atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } atom: 908 107R-QD D 3.093 ambi=2 { CD:43.1 } ::sumAvg: 4.71 atom: 915 108L-HA A 5.23 ambi=1 { CA:53.199 } atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } :: atom: 915 108L-HA A 5.23 ambi=1 { CA:53.199 } atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } ::sumAvg: 4.545 atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } atom: 916 108L-HB2 B 1.894 ambi=2 { CB:44.983 } :: atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } atom: 917 108L-HB3 B 1.606 ambi=2 { CB:44.983 } :: atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } atom: 916 108L-HB2 B 1.894 ambi=2 { CB:44.983 } :: atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } atom: 917 108L-HB3 B 1.606 ambi=2 { CB:44.983 } ::sumAvg: 4.23 atom: 916 108L-HB2 B 1.894 ambi=2 { CB:44.983 } atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } :: atom: 917 108L-HB3 B 1.606 ambi=2 { CB:44.983 } atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } :: atom: 916 108L-HB2 B 1.894 ambi=2 { CB:44.983 } atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } :: atom: 917 108L-HB3 B 1.606 ambi=2 { CB:44.983 } atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } ::sumAvg: 4.23 atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } atom: 927 109T-H N 8.871 ambi=1 { N:116.088 } :: atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } atom: 927 109T-H N 8.871 ambi=1 { N:116.088 } ::sumAvg: 4.495 atom: 928 109T-HA A 5.549 ambi=1 { CA:60.118 } atom: 25 5V-HG1 G1 0.818 ambi=2 { CG1:20.691 } :: atom: 928 109T-HA A 5.549 ambi=1 { CA:60.118 } atom: 26 5V-HG2 G2 0.731 ambi=2 { CG2:20.61 } ::sumAvg: 3.195 atom: 23 5V-HA A 4.797 ambi=1 { CA:60.724 } atom: 33 6V-HA A 4.383 ambi=1 { CA:60.511 } ::sumAvg: 4.36 atom: 33 6V-HA A 4.383 ambi=1 { CA:60.511 } atom: 23 5V-HA A 4.797 ambi=1 { CA:60.724 } ::sumAvg: 4.36 atom: 23 5V-HA A 4.797 ambi=1 { CA:60.724 } atom: 35 6V-HG1 G1 0.943 ambi=2 { CG1:20.899 } :: atom: 23 5V-HA A 4.797 ambi=1 { CA:60.724 } atom: 36 6V-HG2 G2 0.888 ambi=2 { CG2:21.932 } ::sumAvg: 3.62 atom: 23 5V-HA A 4.797 ambi=1 { CA:60.724 } atom: 935 110Y-H N 8.753 ambi=1 { N:118.245 } ::sumAvg: 4.99 atom: 23 5V-HA A 4.797 ambi=1 { CA:60.724 } atom: 939 110Y-QD D 6.534 ambi=3 { CD1:132.54 } ::sumAvg: 4.815 atom: 939 110Y-QD D 6.534 ambi=3 { CD1:132.54 } atom: 23 5V-HA A 4.797 ambi=1 { CA:60.724 } ::sumAvg: 4.815 atom: 33 6V-HA A 4.383 ambi=1 { CA:60.511 } atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } ::sumAvg: 4.37 atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } atom: 33 6V-HA A 4.383 ambi=1 { CA:60.511 } ::sumAvg: 4.37 atom: 33 6V-HA A 4.383 ambi=1 { CA:60.511 } atom: 44 7R-HB2 B 1.66 ambi=2 { CB:33.74 } :: atom: 33 6V-HA A 4.383 ambi=1 { CA:60.511 } atom: 45 7R-HB3 B 1.576 ambi=2 { CB:33.74 } ::sumAvg: 4.53 atom: 44 7R-HB2 B 1.66 ambi=2 { CB:33.74 } atom: 33 6V-HA A 4.383 ambi=1 { CA:60.511 } :: atom: 45 7R-HB3 B 1.576 ambi=2 { CB:33.74 } atom: 33 6V-HA A 4.383 ambi=1 { CA:60.511 } ::sumAvg: 4.53 atom: 33 6V-HA A 4.383 ambi=1 { CA:60.511 } atom: 914 108L-H N 9.515 ambi=1 { N:126.868 } ::sumAvg: 4.75 atom: 917 108L-HB3 B 1.606 ambi=2 { CB:44.983 } atom: 34 6V-HB B 2.023 ambi=1 { CB:33.952 } ::sumAvg: 4.625 atom: 34 6V-HB B 2.023 ambi=1 { CB:33.952 } atom: 939 110Y-QD D 6.534 ambi=3 { CD1:132.54 } ::sumAvg: 4.835 atom: 939 110Y-QD D 6.534 ambi=3 { CD1:132.54 } atom: 34 6V-HB B 2.023 ambi=1 { CB:33.952 } ::sumAvg: 4.835 atom: 916 108L-HB2 B 1.894 ambi=2 { CB:44.983 } atom: 32 6V-H N 9.421 ambi=1 { N:128.035 } :: atom: 917 108L-HB3 B 1.606 ambi=2 { CB:44.983 } atom: 32 6V-H N 9.421 ambi=1 { N:128.035 } ::sumAvg: 4.4 atom: 918 108L-HG G 1.54 ambi=1 { CG:26.77 } atom: 32 6V-H N 9.421 ambi=1 { N:128.035 } ::sumAvg: 4.905 atom: 919 108L-HD1 D1 0.957 ambi=2 { CD1:23.053 } atom: 32 6V-H N 9.421 ambi=1 { N:128.035 } :: atom: 920 108L-HD2 D2 0.908 ambi=2 { CD2:23.01 } atom: 32 6V-H N 9.421 ambi=1 { N:128.035 } ::sumAvg: 4.625 atom: 939 110Y-QD D 6.534 ambi=3 { CD1:132.54 } atom: 32 6V-H N 9.421 ambi=1 { N:128.035 } ::sumAvg: 4.85 atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } atom: 57 8D-HA A 4.858 ambi=1 { CA:53.286 } ::sumAvg: 4.34 atom: 57 8D-HA A 4.858 ambi=1 { CA:53.286 } atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } ::sumAvg: 4.34 atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } :: atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } ::sumAvg: 4.53 atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } :: atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } ::sumAvg: 4.53 atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } ::sumAvg: 4.22 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } ::sumAvg: 4.22 atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } atom: 891 106V-H N 8.786 ambi=1 { N:126.294 } ::sumAvg: 4.39 atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } ::sumAvg: 4.765 atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } ::sumAvg: 4.765 atom: 894 106V-HG1 G1 0.885 ambi=2 { CG1:23.207 } atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } :: atom: 895 106V-HG2 G2 0.662 ambi=2 { CG2:22.57 } atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } ::sumAvg: 4.245 atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } atom: 901 107R-H N 8.681 ambi=1 { N:126.718 } ::sumAvg: 4.85 atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } atom: 904 107R-QB B 1.7305 ambi=2 { CB:32.875 } ::sumAvg: 3.7 atom: 904 107R-QB B 1.7305 ambi=2 { CB:32.875 } atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } ::sumAvg: 3.7 atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } atom: 914 108L-H N 9.515 ambi=1 { N:126.868 } ::sumAvg: 3.615 atom: 1062 137L-HD1 D1 0.984 ambi=2 { CD1:21.443 } atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } :: atom: 1063 137L-HD2 D2 0.876 ambi=2 { CD2:25.29 } atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } ::sumAvg: 4.41 atom: 44 7R-HB2 B 1.66 ambi=2 { CB:33.74 } atom: 50 7R-HE E 7.207 ambi=1 {attached_atom is not_assigned} :: atom: 45 7R-HB3 B 1.576 ambi=2 { CB:33.74 } atom: 50 7R-HE E 7.207 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.635 atom: 44 7R-HB2 B 1.66 ambi=2 { CB:33.74 } atom: 57 8D-HA A 4.858 ambi=1 { CA:53.286 } :: atom: 45 7R-HB3 B 1.576 ambi=2 { CB:33.74 } atom: 57 8D-HA A 4.858 ambi=1 { CA:53.286 } ::sumAvg: 4.65 atom: 57 8D-HA A 4.858 ambi=1 { CA:53.286 } atom: 44 7R-HB2 B 1.66 ambi=2 { CB:33.74 } :: atom: 57 8D-HA A 4.858 ambi=1 { CA:53.286 } atom: 45 7R-HB3 B 1.576 ambi=2 { CB:33.74 } ::sumAvg: 4.65 atom: 44 7R-HB2 B 1.66 ambi=2 { CB:33.74 } atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } :: atom: 45 7R-HB3 B 1.576 ambi=2 { CB:33.74 } atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } ::sumAvg: 4.44 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 44 7R-HB2 B 1.66 ambi=2 { CB:33.74 } :: atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 45 7R-HB3 B 1.576 ambi=2 { CB:33.74 } ::sumAvg: 4.44 atom: 44 7R-HB2 B 1.66 ambi=2 { CB:33.74 } atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } :: atom: 45 7R-HB3 B 1.576 ambi=2 { CB:33.74 } atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } ::sumAvg: 3.335 atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 44 7R-HB2 B 1.66 ambi=2 { CB:33.74 } :: atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 45 7R-HB3 B 1.576 ambi=2 { CB:33.74 } ::sumAvg: 3.335 atom: 44 7R-HB2 B 1.66 ambi=2 { CB:33.74 } atom: 908 107R-QD D 3.093 ambi=2 { CD:43.1 } :: atom: 45 7R-HB3 B 1.576 ambi=2 { CB:33.74 } atom: 908 107R-QD D 3.093 ambi=2 { CD:43.1 } ::sumAvg: 3.68 atom: 44 7R-HB2 B 1.66 ambi=2 { CB:33.74 } atom: 914 108L-H N 9.515 ambi=1 { N:126.868 } :: atom: 45 7R-HB3 B 1.576 ambi=2 { CB:33.74 } atom: 914 108L-H N 9.515 ambi=1 { N:126.868 } ::sumAvg: 4.62 atom: 35 6V-HG1 G1 0.943 ambi=2 { CG1:20.899 } atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } :: atom: 36 6V-HG2 G2 0.888 ambi=2 { CG2:21.932 } atom: 43 7R-HA A 5.674 ambi=1 { CA:54.064 } ::sumAvg: 3.615 atom: 44 7R-HB2 B 1.66 ambi=2 { CB:33.74 } atom: 35 6V-HG1 G1 0.943 ambi=2 { CG1:20.899 } :: atom: 45 7R-HB3 B 1.576 ambi=2 { CB:33.74 } atom: 35 6V-HG1 G1 0.943 ambi=2 { CG1:20.899 } :: atom: 44 7R-HB2 B 1.66 ambi=2 { CB:33.74 } atom: 36 6V-HG2 G2 0.888 ambi=2 { CG2:21.932 } :: atom: 45 7R-HB3 B 1.576 ambi=2 { CB:33.74 } atom: 36 6V-HG2 G2 0.888 ambi=2 { CG2:21.932 } ::sumAvg: 4.385 atom: 35 6V-HG1 G1 0.943 ambi=2 { CG1:20.899 } atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } :: atom: 35 6V-HG1 G1 0.943 ambi=2 { CG1:20.899 } atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } :: atom: 36 6V-HG2 G2 0.888 ambi=2 { CG2:21.932 } atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } :: atom: 36 6V-HG2 G2 0.888 ambi=2 { CG2:21.932 } atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } ::sumAvg: 3.765 atom: 35 6V-HG1 G1 0.943 ambi=2 { CG1:20.899 } atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } :: atom: 36 6V-HG2 G2 0.888 ambi=2 { CG2:21.932 } atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } ::sumAvg: 4.49 atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 35 6V-HG1 G1 0.943 ambi=2 { CG1:20.899 } :: atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 36 6V-HG2 G2 0.888 ambi=2 { CG2:21.932 } ::sumAvg: 4.665 atom: 35 6V-HG1 G1 0.943 ambi=2 { CG1:20.899 } atom: 914 108L-H N 9.515 ambi=1 { N:126.868 } :: atom: 36 6V-HG2 G2 0.888 ambi=2 { CG2:21.932 } atom: 914 108L-H N 9.515 ambi=1 { N:126.868 } ::sumAvg: 3.995 atom: 35 6V-HG1 G1 0.943 ambi=2 { CG1:20.899 } atom: 918 108L-HG G 1.54 ambi=1 { CG:26.77 } :: atom: 36 6V-HG2 G2 0.888 ambi=2 { CG2:21.932 } atom: 918 108L-HG G 1.54 ambi=1 { CG:26.77 } ::sumAvg: 4.49 atom: 937 110Y-HB2 B 2.941 ambi=2 { CB:40.745 } atom: 35 6V-HG1 G1 0.943 ambi=2 { CG1:20.899 } :: atom: 938 110Y-HB3 B 2.647 ambi=2 { CB:40.745 } atom: 35 6V-HG1 G1 0.943 ambi=2 { CG1:20.899 } :: atom: 937 110Y-HB2 B 2.941 ambi=2 { CB:40.745 } atom: 36 6V-HG2 G2 0.888 ambi=2 { CG2:21.932 } :: atom: 938 110Y-HB3 B 2.647 ambi=2 { CB:40.745 } atom: 36 6V-HG2 G2 0.888 ambi=2 { CG2:21.932 } ::sumAvg: 4.145 atom: 35 6V-HG1 G1 0.943 ambi=2 { CG1:20.899 } atom: 1041 134R-QB B 1.785 ambi=2 {attached_atom is not_assigned} :: atom: 36 6V-HG2 G2 0.888 ambi=2 { CG2:21.932 } atom: 1041 134R-QB B 1.785 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.68 atom: 35 6V-HG1 G1 0.943 ambi=2 { CG1:20.899 } atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } :: atom: 36 6V-HG2 G2 0.888 ambi=2 { CG2:21.932 } atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } ::sumAvg: 4.275 atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } atom: 35 6V-HG1 G1 0.943 ambi=2 { CG1:20.899 } :: atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } atom: 36 6V-HG2 G2 0.888 ambi=2 { CG2:21.932 } ::sumAvg: 4.275 atom: 35 6V-HG1 G1 0.943 ambi=2 { CG1:20.899 } atom: 1061 137L-HG G 1.546 ambi=1 { CG:26.77 } :: atom: 36 6V-HG2 G2 0.888 ambi=2 { CG2:21.932 } atom: 1061 137L-HG G 1.546 ambi=1 { CG:26.77 } ::sumAvg: 4.86 atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 42 7R-H N 8.601 ambi=1 { N:125.676 } ::sumAvg: 4.73 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 50 7R-HE E 7.207 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.535 atom: 904 107R-QB B 1.7305 ambi=2 { CB:32.875 } atom: 50 7R-HE E 7.207 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.61 atom: 908 107R-QD D 3.093 ambi=2 { CD:43.1 } atom: 50 7R-HE E 7.207 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.105 atom: 46 7R-HG2 G 1.44 ambi=2 { CG:26.781 } atom: 57 8D-HA A 4.858 ambi=1 { CA:53.286 } :: atom: 47 7R-HG3 G 1.424 ambi=2 { CG:26.781 } atom: 57 8D-HA A 4.858 ambi=1 { CA:53.286 } ::sumAvg: 4.965 atom: 57 8D-HA A 4.858 ambi=1 { CA:53.286 } atom: 46 7R-HG2 G 1.44 ambi=2 { CG:26.781 } :: atom: 57 8D-HA A 4.858 ambi=1 { CA:53.286 } atom: 47 7R-HG3 G 1.424 ambi=2 { CG:26.781 } ::sumAvg: 4.965 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 46 7R-HG2 G 1.44 ambi=2 { CG:26.781 } :: atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 47 7R-HG3 G 1.424 ambi=2 { CG:26.781 } ::sumAvg: 3.805 atom: 49 7R-HD3 D 2.992 ambi=2 { CD:43.355 } atom: 50 7R-HE E 7.207 ambi=1 {attached_atom is not_assigned} :: atom: 48 7R-HD2 D 3.006 ambi=2 { CD:43.355 } atom: 50 7R-HE E 7.207 ambi=1 {attached_atom is not_assigned} ::sumAvg: 2.68 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 49 7R-HD3 D 2.992 ambi=2 { CD:43.355 } :: atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 48 7R-HD2 D 3.006 ambi=2 { CD:43.355 } ::sumAvg: 4.83 atom: 49 7R-HD3 D 2.992 ambi=2 { CD:43.355 } atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } :: atom: 48 7R-HD2 D 3.006 ambi=2 { CD:43.355 } atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } ::sumAvg: 4.54 atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 49 7R-HD3 D 2.992 ambi=2 { CD:43.355 } :: atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 48 7R-HD2 D 3.006 ambi=2 { CD:43.355 } ::sumAvg: 4.54 atom: 57 8D-HA A 4.858 ambi=1 { CA:53.286 } atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } ::sumAvg: 4.405 atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } atom: 57 8D-HA A 4.858 ambi=1 { CA:53.286 } ::sumAvg: 4.405 atom: 57 8D-HA A 4.858 ambi=1 { CA:53.286 } atom: 65 9A-HB B 1.27 ambi=1 { CB:24.053 } ::sumAvg: 3.805 atom: 57 8D-HA A 4.858 ambi=1 { CA:53.286 } atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } ::sumAvg: 3.875 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 57 8D-HA A 4.858 ambi=1 { CA:53.286 } ::sumAvg: 3.875 atom: 57 8D-HA A 4.858 ambi=1 { CA:53.286 } atom: 891 106V-H N 8.786 ambi=1 { N:126.294 } ::sumAvg: 4.835 atom: 57 8D-HA A 4.858 ambi=1 { CA:53.286 } atom: 1062 137L-HD1 D1 0.984 ambi=2 { CD1:21.443 } :: atom: 57 8D-HA A 4.858 ambi=1 { CA:53.286 } atom: 1063 137L-HD2 D2 0.876 ambi=2 { CD2:25.29 } ::sumAvg: 4.32 atom: 1062 137L-HD1 D1 0.984 ambi=2 { CD1:21.443 } atom: 57 8D-HA A 4.858 ambi=1 { CA:53.286 } :: atom: 1063 137L-HD2 D2 0.876 ambi=2 { CD2:25.29 } atom: 57 8D-HA A 4.858 ambi=1 { CA:53.286 } ::sumAvg: 4.32 atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } :: atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } ::sumAvg: 4.25 atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } :: atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } ::sumAvg: 4.25 atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } atom: 65 9A-HB B 1.27 ambi=1 { CB:24.053 } :: atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } atom: 65 9A-HB B 1.27 ambi=1 { CB:24.053 } ::sumAvg: 4.59 atom: 65 9A-HB B 1.27 ambi=1 { CB:24.053 } atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } :: atom: 65 9A-HB B 1.27 ambi=1 { CB:24.053 } atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } ::sumAvg: 4.59 atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } :: atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } :: atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } :: atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } ::sumAvg: 4.455 atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } :: atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } :: atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } :: atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } ::sumAvg: 4.455 atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } atom: 891 106V-H N 8.786 ambi=1 { N:126.294 } :: atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } atom: 891 106V-H N 8.786 ambi=1 { N:126.294 } ::sumAvg: 4.51 atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } :: atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } ::sumAvg: 4.36 atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } :: atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } ::sumAvg: 4.36 atom: 894 106V-HG1 G1 0.885 ambi=2 { CG1:23.207 } atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } :: atom: 895 106V-HG2 G2 0.662 ambi=2 { CG2:22.57 } atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } :: atom: 894 106V-HG1 G1 0.885 ambi=2 { CG1:23.207 } atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } :: atom: 895 106V-HG2 G2 0.662 ambi=2 { CG2:22.57 } atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } ::sumAvg: 4.86 atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } atom: 1039 134R-HA A 4.27 ambi=1 { CA:57.524 } :: atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } atom: 1039 134R-HA A 4.27 ambi=1 { CA:57.524 } ::sumAvg: 4.625 atom: 1039 134R-HA A 4.27 ambi=1 { CA:57.524 } atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } :: atom: 1039 134R-HA A 4.27 ambi=1 { CA:57.524 } atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } ::sumAvg: 4.625 atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } atom: 1041 134R-QB B 1.785 ambi=2 {attached_atom is not_assigned} :: atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } atom: 1041 134R-QB B 1.785 ambi=2 {attached_atom is not_assigned} ::sumAvg: 3.655 atom: 1059 137L-HB2 B 2.116 ambi=2 { CB:40.832 } atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } :: atom: 1060 137L-HB3 B 1.58 ambi=2 { CB:40.832 } atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } :: atom: 1060 137L-HB3 B 1.58 ambi=2 { CB:40.832 } atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } ::sumAvg: 3.91 atom: 1061 137L-HG G 1.546 ambi=1 { CG:26.77 } atom: 58 8D-HB2 B 2.683 ambi=2 { CB:43.686 } :: atom: 1061 137L-HG G 1.546 ambi=1 { CG:26.77 } atom: 59 8D-HB3 B 2.436 ambi=2 { CB:43.686 } ::sumAvg: 4.375 atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } atom: 56 8D-H N 8.853 ambi=1 { N:122.072 } ::sumAvg: 4.62 atom: 65 9A-HB B 1.27 ambi=1 { CB:24.053 } atom: 56 8D-H N 8.853 ambi=1 { N:122.072 } ::sumAvg: 4.8 atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } atom: 56 8D-H N 8.853 ambi=1 { N:122.072 } ::sumAvg: 4.395 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 56 8D-H N 8.853 ambi=1 { N:122.072 } ::sumAvg: 3.475 atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 56 8D-H N 8.853 ambi=1 { N:122.072 } ::sumAvg: 4 atom: 904 107R-QB B 1.7305 ambi=2 { CB:32.875 } atom: 56 8D-H N 8.853 ambi=1 { N:122.072 } ::sumAvg: 4.96 atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } atom: 63 9A-H N 8.579 ambi=1 { N:121.421 } :: atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } atom: 63 9A-H N 8.579 ambi=1 { N:121.421 } ::sumAvg: 4.53 atom: 70 10V-HA A 4.705 ambi=1 { CA:59.772 } atom: 63 9A-H N 8.579 ambi=1 { N:121.421 } ::sumAvg: 4.955 atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } atom: 63 9A-H N 8.579 ambi=1 { N:121.421 } ::sumAvg: 4.67 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 63 9A-H N 8.579 ambi=1 { N:121.421 } ::sumAvg: 3.985 atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } atom: 70 10V-HA A 4.705 ambi=1 { CA:59.772 } ::sumAvg: 4.415 atom: 70 10V-HA A 4.705 ambi=1 { CA:59.772 } atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } ::sumAvg: 4.415 atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } atom: 871 104V-H N 9.321 ambi=1 { N:129.427 } ::sumAvg: 4.5 atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } ::sumAvg: 4.86 atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } ::sumAvg: 4.86 atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } :: atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } ::sumAvg: 4.565 atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } :: atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } ::sumAvg: 4.565 atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } atom: 881 105V-H N 8.521 ambi=1 { N:126.061 } ::sumAvg: 4.51 atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } ::sumAvg: 2.315 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } ::sumAvg: 3.04 atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } ::sumAvg: 4.92 atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } ::sumAvg: 4.92 atom: 894 106V-HG1 G1 0.885 ambi=2 { CG1:23.207 } atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } :: atom: 895 106V-HG2 G2 0.662 ambi=2 { CG2:22.57 } atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } ::sumAvg: 3.905 atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } atom: 1062 137L-HD1 D1 0.984 ambi=2 { CD1:21.443 } :: atom: 64 9A-HA A 5.735 ambi=1 { CA:50.691 } atom: 1063 137L-HD2 D2 0.876 ambi=2 { CD2:25.29 } ::sumAvg: 3.865 atom: 65 9A-HB B 1.27 ambi=1 { CB:24.053 } atom: 70 10V-HA A 4.705 ambi=1 { CA:59.772 } ::sumAvg: 3.915 atom: 70 10V-HA A 4.705 ambi=1 { CA:59.772 } atom: 65 9A-HB B 1.27 ambi=1 { CB:24.053 } ::sumAvg: 3.915 atom: 862 103E-HA A 4.876 ambi=1 { CA:55.275 } atom: 65 9A-HB B 1.27 ambi=1 { CB:24.053 } ::sumAvg: 4.735 atom: 65 9A-HB B 1.27 ambi=1 { CB:24.053 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } ::sumAvg: 4.965 atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 65 9A-HB B 1.27 ambi=1 { CB:24.053 } ::sumAvg: 4.965 atom: 65 9A-HB B 1.27 ambi=1 { CB:24.053 } atom: 881 105V-H N 8.521 ambi=1 { N:126.061 } ::sumAvg: 4.465 atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } atom: 65 9A-HB B 1.27 ambi=1 { CB:24.053 } ::sumAvg: 2.84 atom: 883 105V-HB B 1.773 ambi=1 { CB:33.913 } atom: 65 9A-HB B 1.27 ambi=1 { CB:24.053 } ::sumAvg: 4.335 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 65 9A-HB B 1.27 ambi=1 { CB:24.053 } ::sumAvg: 1.98 atom: 895 106V-HG2 G2 0.662 ambi=2 { CG2:22.57 } atom: 65 9A-HB B 1.27 ambi=1 { CB:24.053 } ::sumAvg: 4.935 atom: 90 12I-HG12 G1 1.15 ambi=2 { CG1:27.65 } atom: 71 10V-HB B 2.129 ambi=1 { CB:35.989 } :: atom: 91 12I-HG13 G1 1.032 ambi=2 { CG1:27.65 } atom: 71 10V-HB B 2.129 ambi=1 { CB:35.989 } ::sumAvg: 4.135 atom: 71 10V-HB B 2.129 ambi=1 { CB:35.989 } atom: 93 12I-HD1 D1 0.817 ambi=1 { CD1:15.356 } ::sumAvg: 4.02 atom: 71 10V-HB B 2.129 ambi=1 { CB:35.989 } atom: 871 104V-H N 9.321 ambi=1 { N:129.427 } ::sumAvg: 4.755 atom: 71 10V-HB B 2.129 ambi=1 { CB:35.989 } atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } :: atom: 71 10V-HB B 2.129 ambi=1 { CB:35.989 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } ::sumAvg: 4.995 atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } :: atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } ::sumAvg: 3.97 atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } :: atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } ::sumAvg: 3.97 atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } atom: 862 103E-HA A 4.876 ambi=1 { CA:55.275 } :: atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } atom: 862 103E-HA A 4.876 ambi=1 { CA:55.275 } ::sumAvg: 4.88 atom: 862 103E-HA A 4.876 ambi=1 { CA:55.275 } atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } :: atom: 862 103E-HA A 4.876 ambi=1 { CA:55.275 } atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } ::sumAvg: 4.88 atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } :: atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } ::sumAvg: 3.895 atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } :: atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } ::sumAvg: 4.775 atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } :: atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } ::sumAvg: 4.945 atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } :: atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } ::sumAvg: 4.945 atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } atom: 895 106V-HG2 G2 0.662 ambi=2 { CG2:22.57 } ::sumAvg: 3.5 atom: 895 106V-HG2 G2 0.662 ambi=2 { CG2:22.57 } atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } ::sumAvg: 3.5 atom: 1058 137L-HA A 4.44 ambi=1 { CA:58.129 } atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } :: atom: 1058 137L-HA A 4.44 ambi=1 { CA:58.129 } atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } ::sumAvg: 4.445 atom: 1061 137L-HG G 1.546 ambi=1 { CG:26.77 } atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } :: atom: 1061 137L-HG G 1.546 ambi=1 { CG:26.77 } atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } ::sumAvg: 4.46 atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } atom: 1070 138M-H N 8.814 ambi=1 { N:118.998 } :: atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } atom: 1070 138M-H N 8.814 ambi=1 { N:118.998 } ::sumAvg: 4.635 atom: 1071 138M-HA A 4.516 ambi=1 { CA:57.61 } atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } :: atom: 1071 138M-HA A 4.516 ambi=1 { CA:57.61 } atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } ::sumAvg: 3.45 atom: 1073 138M-QB B 2.1735 ambi=2 { CB:30.972 } atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } :: atom: 1073 138M-QB B 2.1735 ambi=2 { CB:30.972 } atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } ::sumAvg: 4.475 atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } atom: 1074 138M-HG2 G 2.411 ambi=2 { CG:31.167 } :: atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } atom: 1075 138M-HG3 G 2.385 ambi=2 { CG:31.167 } :: atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } atom: 1074 138M-HG2 G 2.411 ambi=2 { CG:31.167 } :: atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } atom: 1075 138M-HG3 G 2.385 ambi=2 { CG:31.167 } ::sumAvg: 4.29 atom: 1074 138M-HG2 G 2.411 ambi=2 { CG:31.167 } atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } :: atom: 1075 138M-HG3 G 2.385 ambi=2 { CG:31.167 } atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } :: atom: 1074 138M-HG2 G 2.411 ambi=2 { CG:31.167 } atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } :: atom: 1075 138M-HG3 G 2.385 ambi=2 { CG:31.167 } atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } ::sumAvg: 4.29 atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } :: atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } :: atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } :: atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } ::sumAvg: 4.735 atom: 1111 141K-HA A 3.526 ambi=1 { CA:60 } atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } :: atom: 1111 141K-HA A 3.526 ambi=1 { CA:60 } atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } ::sumAvg: 4.595 atom: 1116 141K-HD2 D 1.827 ambi=2 { CD:28.78 } atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } :: atom: 1117 141K-HD3 D 1.78 ambi=2 { CD:28.78 } atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } :: atom: 1116 141K-HD2 D 1.827 ambi=2 { CD:28.78 } atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } :: atom: 1117 141K-HD3 D 1.78 ambi=2 { CD:28.78 } atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } ::sumAvg: 4.14 atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } atom: 1119 141K-QE E 3.0795 ambi=2 { CE:41.78 } :: atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } atom: 1119 141K-QE E 3.0795 ambi=2 { CE:41.78 } ::sumAvg: 4.915 atom: 1119 141K-QE E 3.0795 ambi=2 { CE:41.78 } atom: 72 10V-HG1 G1 1.06 ambi=2 { CG1:21.318 } :: atom: 1119 141K-QE E 3.0795 ambi=2 { CE:41.78 } atom: 73 10V-HG2 G2 1.069 ambi=2 { CG2:20.616 } ::sumAvg: 4.915 atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } atom: 69 10V-H N 8.758 ambi=1 { N:116.077 } ::sumAvg: 4.71 atom: 862 103E-HA A 4.876 ambi=1 { CA:55.275 } atom: 69 10V-H N 8.758 ambi=1 { N:116.077 } ::sumAvg: 4.65 atom: 865 103E-HG2 G 2.034 ambi=2 { CG:36.01 } atom: 69 10V-H N 8.758 ambi=1 { N:116.077 } :: atom: 866 103E-HG3 G 1.95 ambi=2 { CG:36.01 } atom: 69 10V-H N 8.758 ambi=1 { N:116.077 } ::sumAvg: 4.685 atom: 70 10V-HA A 4.705 ambi=1 { CA:59.772 } atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } ::sumAvg: 4.365 atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } atom: 70 10V-HA A 4.705 ambi=1 { CA:59.772 } ::sumAvg: 4.365 atom: 70 10V-HA A 4.705 ambi=1 { CA:59.772 } atom: 82 11T-HG2 G2 0.945 ambi=1 { CG2:21.44 } ::sumAvg: 4.475 atom: 82 11T-HG2 G2 0.945 ambi=1 { CG2:21.44 } atom: 70 10V-HA A 4.705 ambi=1 { CA:59.772 } ::sumAvg: 4.475 atom: 70 10V-HA A 4.705 ambi=1 { CA:59.772 } atom: 871 104V-H N 9.321 ambi=1 { N:129.427 } ::sumAvg: 4.73 atom: 90 12I-HG12 G1 1.15 ambi=2 { CG1:27.65 } atom: 79 11T-H N 8.639 ambi=1 { N:120.359 } :: atom: 91 12I-HG13 G1 1.032 ambi=2 { CG1:27.65 } atom: 79 11T-H N 8.639 ambi=1 { N:120.359 } ::sumAvg: 4.355 atom: 93 12I-HD1 D1 0.817 ambi=1 { CD1:15.356 } atom: 79 11T-H N 8.639 ambi=1 { N:120.359 } ::sumAvg: 4.93 atom: 862 103E-HA A 4.876 ambi=1 { CA:55.275 } atom: 79 11T-H N 8.639 ambi=1 { N:120.359 } ::sumAvg: 4.68 atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } atom: 88 12I-HA A 4.448 ambi=1 { CA:59.599 } ::sumAvg: 4.385 atom: 88 12I-HA A 4.448 ambi=1 { CA:59.599 } atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } ::sumAvg: 4.385 atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } atom: 89 12I-HB B 1.723 ambi=1 { CB:41.091 } ::sumAvg: 4.615 atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } atom: 90 12I-HG12 G1 1.15 ambi=2 { CG1:27.65 } :: atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } atom: 91 12I-HG13 G1 1.032 ambi=2 { CG1:27.65 } ::sumAvg: 3.745 atom: 90 12I-HG12 G1 1.15 ambi=2 { CG1:27.65 } atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } :: atom: 91 12I-HG13 G1 1.032 ambi=2 { CG1:27.65 } atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } ::sumAvg: 3.745 atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } atom: 93 12I-HD1 D1 0.817 ambi=1 { CD1:15.356 } ::sumAvg: 4.68 atom: 93 12I-HD1 D1 0.817 ambi=1 { CD1:15.356 } atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } ::sumAvg: 4.68 atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } atom: 809 96A-HB B 1.141 ambi=1 { CB:18.518 } ::sumAvg: 4.49 atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } atom: 853 102T-H N 9.221 ambi=1 { N:120.469 } ::sumAvg: 4.78 atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } atom: 861 103E-H N 9.856 ambi=1 { N:129.111 } ::sumAvg: 4.64 atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } atom: 863 103E-HB2 B 2.032 ambi=2 { CB:30.713 } :: atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } atom: 864 103E-HB3 B 1.699 ambi=2 { CB:30.713 } ::sumAvg: 3.91 atom: 863 103E-HB2 B 2.032 ambi=2 { CB:30.713 } atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } :: atom: 864 103E-HB3 B 1.699 ambi=2 { CB:30.713 } atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } ::sumAvg: 3.91 atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } atom: 865 103E-HG2 G 2.034 ambi=2 { CG:36.01 } :: atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } atom: 866 103E-HG3 G 1.95 ambi=2 { CG:36.01 } ::sumAvg: 4.065 atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } ::sumAvg: 4.93 atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } ::sumAvg: 4.93 atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } :: atom: 80 11T-HA A 5.143 ambi=1 { CA:61.935 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } ::sumAvg: 4.105 atom: 81 11T-HB B 3.931 ambi=1 { CB:69.113 } atom: 88 12I-HA A 4.448 ambi=1 { CA:59.599 } ::sumAvg: 4.64 atom: 88 12I-HA A 4.448 ambi=1 { CA:59.599 } atom: 81 11T-HB B 3.931 ambi=1 { CB:69.113 } ::sumAvg: 4.64 atom: 81 11T-HB B 3.931 ambi=1 { CB:69.113 } atom: 809 96A-HB B 1.141 ambi=1 { CB:18.518 } ::sumAvg: 4.45 atom: 81 11T-HB B 3.931 ambi=1 { CB:69.113 } atom: 837 100R-HB2 B 1.86 ambi=2 { CB:30 } :: atom: 81 11T-HB B 3.931 ambi=1 { CB:69.113 } atom: 838 100R-HB3 B 1.647 ambi=2 { CB:30 } ::sumAvg: 4.985 atom: 837 100R-HB2 B 1.86 ambi=2 { CB:30 } atom: 81 11T-HB B 3.931 ambi=1 { CB:69.113 } :: atom: 838 100R-HB3 B 1.647 ambi=2 { CB:30 } atom: 81 11T-HB B 3.931 ambi=1 { CB:69.113 } ::sumAvg: 4.985 atom: 862 103E-HA A 4.876 ambi=1 { CA:55.275 } atom: 81 11T-HB B 3.931 ambi=1 { CB:69.113 } ::sumAvg: 4.615 atom: 82 11T-HG2 G2 0.945 ambi=1 { CG2:21.44 } atom: 807 96A-H N 8.414 ambi=1 { N:127.369 } ::sumAvg: 4.715 atom: 82 11T-HG2 G2 0.945 ambi=1 { CG2:21.44 } atom: 808 96A-HA A 4.578 ambi=1 { CA:49.826 } ::sumAvg: 4.65 atom: 808 96A-HA A 4.578 ambi=1 { CA:49.826 } atom: 82 11T-HG2 G2 0.945 ambi=1 { CG2:21.44 } ::sumAvg: 4.65 atom: 818 97P-HD2 D 3.791 ambi=2 { CD:50.355 } atom: 82 11T-HG2 G2 0.945 ambi=1 { CG2:21.44 } :: atom: 819 97P-HD3 D 3.591 ambi=2 { CD:50.355 } atom: 82 11T-HG2 G2 0.945 ambi=1 { CG2:21.44 } ::sumAvg: 4.435 atom: 836 100R-HA A 4.27 ambi=1 { CA:56.226 } atom: 82 11T-HG2 G2 0.945 ambi=1 { CG2:21.44 } ::sumAvg: 4.855 atom: 82 11T-HG2 G2 0.945 ambi=1 { CG2:21.44 } atom: 837 100R-HB2 B 1.86 ambi=2 { CB:30 } :: atom: 82 11T-HG2 G2 0.945 ambi=1 { CG2:21.44 } atom: 838 100R-HB3 B 1.647 ambi=2 { CB:30 } ::sumAvg: 3.305 atom: 839 100R-QG G 1.57 ambi=2 { CG:27.31 } atom: 82 11T-HG2 G2 0.945 ambi=1 { CG2:21.44 } ::sumAvg: 4.04 atom: 82 11T-HG2 G2 0.945 ambi=1 { CG2:21.44 } atom: 842 100R-QD D 3.1845 ambi=2 { CD:43.1 } ::sumAvg: 3.765 atom: 842 100R-QD D 3.1845 ambi=2 { CD:43.1 } atom: 82 11T-HG2 G2 0.945 ambi=1 { CG2:21.44 } ::sumAvg: 3.765 atom: 82 11T-HG2 G2 0.945 ambi=1 { CG2:21.44 } atom: 848 101G-H N 7.927 ambi=1 { N:106.784 } ::sumAvg: 4.8 atom: 82 11T-HG2 G2 0.945 ambi=1 { CG2:21.44 } atom: 853 102T-H N 9.221 ambi=1 { N:120.469 } ::sumAvg: 4.345 atom: 854 102T-HA A 4.754 ambi=1 { CA:62.021 } atom: 82 11T-HG2 G2 0.945 ambi=1 { CG2:21.44 } ::sumAvg: 4.755 atom: 82 11T-HG2 G2 0.945 ambi=1 { CG2:21.44 } atom: 861 103E-H N 9.856 ambi=1 { N:129.111 } ::sumAvg: 4.165 atom: 82 11T-HG2 G2 0.945 ambi=1 { CG2:21.44 } atom: 862 103E-HA A 4.876 ambi=1 { CA:55.275 } ::sumAvg: 3.1 atom: 862 103E-HA A 4.876 ambi=1 { CA:55.275 } atom: 82 11T-HG2 G2 0.945 ambi=1 { CG2:21.44 } ::sumAvg: 3.1 atom: 101 13G-HA2 A 4.579 ambi=2 { CA:47.837 } atom: 87 12I-H N 9.318 ambi=1 { N:125.268 } :: atom: 102 13G-HA3 A 3.501 ambi=2 { CA:47.837 } atom: 87 12I-H N 9.318 ambi=1 { N:125.268 } ::sumAvg: 4.81 atom: 849 101G-HA2 A 4.4 ambi=2 { CA:44.724 } atom: 87 12I-H N 9.318 ambi=1 { N:125.268 } :: atom: 850 101G-HA3 A 3.865 ambi=2 { CA:44.724 } atom: 87 12I-H N 9.318 ambi=1 { N:125.268 } ::sumAvg: 4.605 atom: 854 102T-HA A 4.754 ambi=1 { CA:62.021 } atom: 87 12I-H N 9.318 ambi=1 { N:125.268 } ::sumAvg: 4.935 atom: 855 102T-HB B 4.01 ambi=1 { CB:71.362 } atom: 87 12I-H N 9.318 ambi=1 { N:125.268 } ::sumAvg: 3.99 atom: 88 12I-HA A 4.448 ambi=1 { CA:59.599 } atom: 102 13G-HA3 A 3.501 ambi=2 { CA:47.837 } ::sumAvg: 4.315 atom: 102 13G-HA3 A 3.501 ambi=2 { CA:47.837 } atom: 88 12I-HA A 4.448 ambi=1 { CA:59.599 } ::sumAvg: 4.315 atom: 88 12I-HA A 4.448 ambi=1 { CA:59.599 } atom: 105 14K-H N 8.61 ambi=1 { N:122.883 } ::sumAvg: 4.235 atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } atom: 88 12I-HA A 4.448 ambi=1 { CA:59.599 } :: atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } atom: 88 12I-HA A 4.448 ambi=1 { CA:59.599 } ::sumAvg: 4.65 atom: 88 12I-HA A 4.448 ambi=1 { CA:59.599 } atom: 853 102T-H N 9.221 ambi=1 { N:120.469 } ::sumAvg: 4.875 atom: 89 12I-HB B 1.723 ambi=1 { CB:41.091 } atom: 105 14K-H N 8.61 ambi=1 { N:122.883 } ::sumAvg: 3.4 atom: 89 12I-HB B 1.723 ambi=1 { CB:41.091 } atom: 110 14K-HG3 G 1.26 ambi=2 { CG:24.765 } ::sumAvg: 4.855 atom: 89 12I-HB B 1.723 ambi=1 { CB:41.091 } atom: 853 102T-H N 9.221 ambi=1 { N:120.469 } ::sumAvg: 4.4 atom: 89 12I-HB B 1.723 ambi=1 { CB:41.091 } atom: 855 102T-HB B 4.01 ambi=1 { CB:71.362 } ::sumAvg: 4.005 atom: 855 102T-HB B 4.01 ambi=1 { CB:71.362 } atom: 89 12I-HB B 1.723 ambi=1 { CB:41.091 } ::sumAvg: 4.005 atom: 89 12I-HB B 1.723 ambi=1 { CB:41.091 } atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } ::sumAvg: 4.77 atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } atom: 89 12I-HB B 1.723 ambi=1 { CB:41.091 } ::sumAvg: 4.77 atom: 89 12I-HB B 1.723 ambi=1 { CB:41.091 } atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } ::sumAvg: 4.765 atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } atom: 89 12I-HB B 1.723 ambi=1 { CB:41.091 } ::sumAvg: 4.765 atom: 90 12I-HG12 G1 1.15 ambi=2 { CG1:27.65 } atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } :: atom: 91 12I-HG13 G1 1.032 ambi=2 { CG1:27.65 } atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } ::sumAvg: 3.965 atom: 90 12I-HG12 G1 1.15 ambi=2 { CG1:27.65 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } :: atom: 91 12I-HG13 G1 1.032 ambi=2 { CG1:27.65 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } ::sumAvg: 3.445 atom: 90 12I-HG12 G1 1.15 ambi=2 { CG1:27.65 } atom: 1111 141K-HA A 3.526 ambi=1 { CA:60 } :: atom: 91 12I-HG13 G1 1.032 ambi=2 { CG1:27.65 } atom: 1111 141K-HA A 3.526 ambi=1 { CA:60 } ::sumAvg: 4.27 atom: 91 12I-HG13 G1 1.032 ambi=2 { CG1:27.65 } atom: 1114 141K-HG2 G 1.435 ambi=2 { CG:24.894 } ::sumAvg: 4.42 atom: 1114 141K-HG2 G 1.435 ambi=2 { CG:24.894 } atom: 91 12I-HG13 G1 1.032 ambi=2 { CG1:27.65 } ::sumAvg: 4.42 atom: 101 13G-HA2 A 4.579 ambi=2 { CA:47.837 } atom: 92 12I-HG2 G2 0.901 ambi=1 { CG2:17.539 } :: atom: 102 13G-HA3 A 3.501 ambi=2 { CA:47.837 } atom: 92 12I-HG2 G2 0.901 ambi=1 { CG2:17.539 } ::sumAvg: 3.87 atom: 92 12I-HG2 G2 0.901 ambi=1 { CG2:17.539 } atom: 106 14K-HA A 4.891 ambi=1 { CA:52.508 } ::sumAvg: 4.185 atom: 106 14K-HA A 4.891 ambi=1 { CA:52.508 } atom: 92 12I-HG2 G2 0.901 ambi=1 { CG2:17.539 } ::sumAvg: 4.185 atom: 92 12I-HG2 G2 0.901 ambi=1 { CG2:17.539 } atom: 109 14K-HG2 G 1.534 ambi=2 { CG:24.765 } ::sumAvg: 2.555 atom: 109 14K-HG2 G 1.534 ambi=2 { CG:24.765 } atom: 92 12I-HG2 G2 0.901 ambi=1 { CG2:17.539 } ::sumAvg: 2.555 atom: 111 14K-HD2 D 1.951 ambi=2 { CD:28.422 } atom: 92 12I-HG2 G2 0.901 ambi=1 { CG2:17.539 } :: atom: 112 14K-HD3 D 1.736 ambi=2 { CD:28.422 } atom: 92 12I-HG2 G2 0.901 ambi=1 { CG2:17.539 } ::sumAvg: 3.395 atom: 92 12I-HG2 G2 0.901 ambi=1 { CG2:17.539 } atom: 113 14K-HE2 E 3.064 ambi=2 { CE:42.05 } :: atom: 92 12I-HG2 G2 0.901 ambi=1 { CG2:17.539 } atom: 114 14K-HE3 E 2.948 ambi=2 { CE:42.05 } ::sumAvg: 3.715 atom: 92 12I-HG2 G2 0.901 ambi=1 { CG2:17.539 } atom: 159 19L-HA A 4.263 ambi=1 { CA:57.178 } ::sumAvg: 4.405 atom: 92 12I-HG2 G2 0.901 ambi=1 { CG2:17.539 } atom: 160 19L-HB2 B 1.966 ambi=2 { CB:42.129 } :: atom: 92 12I-HG2 G2 0.901 ambi=1 { CG2:17.539 } atom: 161 19L-HB3 B 1.588 ambi=2 { CB:42.129 } ::sumAvg: 4.51 atom: 92 12I-HG2 G2 0.901 ambi=1 { CG2:17.539 } atom: 853 102T-H N 9.221 ambi=1 { N:120.469 } ::sumAvg: 4.655 atom: 92 12I-HG2 G2 0.901 ambi=1 { CG2:17.539 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } ::sumAvg: 4.325 atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 92 12I-HG2 G2 0.901 ambi=1 { CG2:17.539 } ::sumAvg: 4.325 atom: 92 12I-HG2 G2 0.901 ambi=1 { CG2:17.539 } atom: 1114 141K-HG2 G 1.435 ambi=2 { CG:24.894 } ::sumAvg: 4.655 atom: 1151 144Q-HB2 B 1.826 ambi=2 { CB:28.805 } atom: 92 12I-HG2 G2 0.901 ambi=1 { CG2:17.539 } :: atom: 1152 144Q-HB3 B 1.699 ambi=2 { CB:28.805 } atom: 92 12I-HG2 G2 0.901 ambi=1 { CG2:17.539 } ::sumAvg: 4.42 atom: 92 12I-HG2 G2 0.901 ambi=1 { CG2:17.539 } atom: 1154 144Q-QG G 1.95 ambi=2 { CG:34.558 } ::sumAvg: 4.535 atom: 1154 144Q-QG G 1.95 ambi=2 { CG:34.558 } atom: 92 12I-HG2 G2 0.901 ambi=1 { CG2:17.539 } ::sumAvg: 4.535 atom: 93 12I-HD1 D1 0.817 ambi=1 { CD1:15.356 } atom: 159 19L-HA A 4.263 ambi=1 { CA:57.178 } ::sumAvg: 4.795 atom: 93 12I-HD1 D1 0.817 ambi=1 { CD1:15.356 } atom: 160 19L-HB2 B 1.966 ambi=2 { CB:42.129 } :: atom: 93 12I-HD1 D1 0.817 ambi=1 { CD1:15.356 } atom: 161 19L-HB3 B 1.588 ambi=2 { CB:42.129 } ::sumAvg: 4.58 atom: 93 12I-HD1 D1 0.817 ambi=1 { CD1:15.356 } atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } ::sumAvg: 3.89 atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } atom: 93 12I-HD1 D1 0.817 ambi=1 { CD1:15.356 } ::sumAvg: 4.385 atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } atom: 93 12I-HD1 D1 0.817 ambi=1 { CD1:15.356 } :: atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } atom: 93 12I-HD1 D1 0.817 ambi=1 { CD1:15.356 } ::sumAvg: 4.875 atom: 1112 141K-HB2 B 2.277 ambi=2 { CB:33.048 } atom: 93 12I-HD1 D1 0.817 ambi=1 { CD1:15.356 } :: atom: 1113 141K-HB3 B 1.712 ambi=2 { CB:33.048 } atom: 93 12I-HD1 D1 0.817 ambi=1 { CD1:15.356 } ::sumAvg: 4.13 atom: 1114 141K-HG2 G 1.435 ambi=2 { CG:24.894 } atom: 93 12I-HD1 D1 0.817 ambi=1 { CD1:15.356 } ::sumAvg: 4.29 atom: 93 12I-HD1 D1 0.817 ambi=1 { CD1:15.356 } atom: 1119 141K-QE E 3.0795 ambi=2 { CE:41.78 } ::sumAvg: 4.91 atom: 1151 144Q-HB2 B 1.826 ambi=2 { CB:28.805 } atom: 93 12I-HD1 D1 0.817 ambi=1 { CD1:15.356 } :: atom: 1152 144Q-HB3 B 1.699 ambi=2 { CB:28.805 } atom: 93 12I-HD1 D1 0.817 ambi=1 { CD1:15.356 } ::sumAvg: 4.515 atom: 93 12I-HD1 D1 0.817 ambi=1 { CD1:15.356 } atom: 1154 144Q-QG G 1.95 ambi=2 { CG:34.558 } ::sumAvg: 4.89 atom: 1154 144Q-QG G 1.95 ambi=2 { CG:34.558 } atom: 93 12I-HD1 D1 0.817 ambi=1 { CD1:15.356 } ::sumAvg: 4.89 atom: 109 14K-HG2 G 1.534 ambi=2 { CG:24.765 } atom: 100 13G-H N 10.403 ambi=1 { N:120.402 } :: atom: 110 14K-HG3 G 1.26 ambi=2 { CG:24.765 } atom: 100 13G-H N 10.403 ambi=1 { N:120.402 } ::sumAvg: 4.025 atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } atom: 100 13G-H N 10.403 ambi=1 { N:120.402 } :: atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } atom: 100 13G-H N 10.403 ambi=1 { N:120.402 } ::sumAvg: 4.88 atom: 849 101G-HA2 A 4.4 ambi=2 { CA:44.724 } atom: 100 13G-H N 10.403 ambi=1 { N:120.402 } :: atom: 850 101G-HA3 A 3.865 ambi=2 { CA:44.724 } atom: 100 13G-H N 10.403 ambi=1 { N:120.402 } ::sumAvg: 4.605 atom: 102 13G-HA3 A 3.501 ambi=2 { CA:47.837 } atom: 106 14K-HA A 4.891 ambi=1 { CA:52.508 } ::sumAvg: 4.44 atom: 106 14K-HA A 4.891 ambi=1 { CA:52.508 } atom: 102 13G-HA3 A 3.501 ambi=2 { CA:47.837 } ::sumAvg: 4.44 atom: 101 13G-HA2 A 4.579 ambi=2 { CA:47.837 } atom: 109 14K-HG2 G 1.534 ambi=2 { CG:24.765 } :: atom: 101 13G-HA2 A 4.579 ambi=2 { CA:47.837 } atom: 110 14K-HG3 G 1.26 ambi=2 { CG:24.765 } :: atom: 102 13G-HA3 A 3.501 ambi=2 { CA:47.837 } atom: 109 14K-HG2 G 1.534 ambi=2 { CG:24.765 } :: atom: 102 13G-HA3 A 3.501 ambi=2 { CA:47.837 } atom: 110 14K-HG3 G 1.26 ambi=2 { CG:24.765 } ::sumAvg: 4.465 atom: 109 14K-HG2 G 1.534 ambi=2 { CG:24.765 } atom: 101 13G-HA2 A 4.579 ambi=2 { CA:47.837 } :: atom: 110 14K-HG3 G 1.26 ambi=2 { CG:24.765 } atom: 101 13G-HA2 A 4.579 ambi=2 { CA:47.837 } :: atom: 109 14K-HG2 G 1.534 ambi=2 { CG:24.765 } atom: 102 13G-HA3 A 3.501 ambi=2 { CA:47.837 } :: atom: 110 14K-HG3 G 1.26 ambi=2 { CG:24.765 } atom: 102 13G-HA3 A 3.501 ambi=2 { CA:47.837 } ::sumAvg: 4.465 atom: 101 13G-HA2 A 4.579 ambi=2 { CA:47.837 } atom: 848 101G-H N 7.927 ambi=1 { N:106.784 } :: atom: 102 13G-HA3 A 3.501 ambi=2 { CA:47.837 } atom: 848 101G-H N 7.927 ambi=1 { N:106.784 } ::sumAvg: 4.925 atom: 101 13G-HA2 A 4.579 ambi=2 { CA:47.837 } atom: 850 101G-HA3 A 3.865 ambi=2 { CA:44.724 } :: atom: 102 13G-HA3 A 3.501 ambi=2 { CA:47.837 } atom: 849 101G-HA2 A 4.4 ambi=2 { CA:44.724 } ::sumAvg: 2.535 atom: 101 13G-HA2 A 4.579 ambi=2 { CA:47.837 } atom: 855 102T-HB B 4.01 ambi=1 { CB:71.362 } :: atom: 102 13G-HA3 A 3.501 ambi=2 { CA:47.837 } atom: 855 102T-HB B 4.01 ambi=1 { CB:71.362 } ::sumAvg: 4.91 atom: 855 102T-HB B 4.01 ambi=1 { CB:71.362 } atom: 101 13G-HA2 A 4.579 ambi=2 { CA:47.837 } :: atom: 855 102T-HB B 4.01 ambi=1 { CB:71.362 } atom: 102 13G-HA3 A 3.501 ambi=2 { CA:47.837 } ::sumAvg: 4.91 atom: 126 15P-HD2 D 3.874 ambi=2 { CD:51.232 } atom: 105 14K-H N 8.61 ambi=1 { N:122.883 } :: atom: 127 15P-HD3 D 3.466 ambi=2 { CD:51.232 } atom: 105 14K-H N 8.61 ambi=1 { N:122.883 } ::sumAvg: 4.725 atom: 162 19L-HG G 1.821 ambi=1 { CG:26.77 } atom: 105 14K-H N 8.61 ambi=1 { N:122.883 } ::sumAvg: 4.74 atom: 855 102T-HB B 4.01 ambi=1 { CB:71.362 } atom: 105 14K-H N 8.61 ambi=1 { N:122.883 } ::sumAvg: 3.905 atom: 106 14K-HA A 4.891 ambi=1 { CA:52.508 } atom: 121 15P-HA A 4.449 ambi=1 { CA:62.28 } ::sumAvg: 4.37 atom: 121 15P-HA A 4.449 ambi=1 { CA:62.28 } atom: 106 14K-HA A 4.891 ambi=1 { CA:52.508 } ::sumAvg: 4.37 atom: 106 14K-HA A 4.891 ambi=1 { CA:52.508 } atom: 124 15P-HG2 G 2.081 ambi=2 { CG:27.651 } :: atom: 106 14K-HA A 4.891 ambi=1 { CA:52.508 } atom: 125 15P-HG3 G 2.029 ambi=2 { CG:27.651 } ::sumAvg: 4.335 atom: 124 15P-HG2 G 2.081 ambi=2 { CG:27.651 } atom: 106 14K-HA A 4.891 ambi=1 { CA:52.508 } :: atom: 125 15P-HG3 G 2.029 ambi=2 { CG:27.651 } atom: 106 14K-HA A 4.891 ambi=1 { CA:52.508 } ::sumAvg: 4.335 atom: 106 14K-HA A 4.891 ambi=1 { CA:52.508 } atom: 126 15P-HD2 D 3.874 ambi=2 { CD:51.232 } :: atom: 106 14K-HA A 4.891 ambi=1 { CA:52.508 } atom: 127 15P-HD3 D 3.466 ambi=2 { CD:51.232 } ::sumAvg: 2.155 atom: 106 14K-HA A 4.891 ambi=1 { CA:52.508 } atom: 132 16A-H N 8.509 ambi=1 { N:125.684 } ::sumAvg: 4.77 atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } atom: 106 14K-HA A 4.891 ambi=1 { CA:52.508 } :: atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } atom: 106 14K-HA A 4.891 ambi=1 { CA:52.508 } ::sumAvg: 4.385 atom: 108 14K-HB3 B 1.356 ambi=2 { CB:36.343 } atom: 124 15P-HG2 G 2.081 ambi=2 { CG:27.651 } :: atom: 108 14K-HB3 B 1.356 ambi=2 { CB:36.343 } atom: 125 15P-HG3 G 2.029 ambi=2 { CG:27.651 } ::sumAvg: 4.515 atom: 124 15P-HG2 G 2.081 ambi=2 { CG:27.651 } atom: 108 14K-HB3 B 1.356 ambi=2 { CB:36.343 } :: atom: 125 15P-HG3 G 2.029 ambi=2 { CG:27.651 } atom: 108 14K-HB3 B 1.356 ambi=2 { CB:36.343 } ::sumAvg: 4.515 atom: 107 14K-HB2 B 1.704 ambi=2 { CB:36.343 } atom: 132 16A-H N 8.509 ambi=1 { N:125.684 } :: atom: 108 14K-HB3 B 1.356 ambi=2 { CB:36.343 } atom: 132 16A-H N 8.509 ambi=1 { N:125.684 } ::sumAvg: 3.385 atom: 107 14K-HB2 B 1.704 ambi=2 { CB:36.343 } atom: 133 16A-HA A 3.801 ambi=1 { CA:56.053 } :: atom: 108 14K-HB3 B 1.356 ambi=2 { CB:36.343 } atom: 133 16A-HA A 3.801 ambi=1 { CA:56.053 } ::sumAvg: 4.77 atom: 107 14K-HB2 B 1.704 ambi=2 { CB:36.343 } atom: 148 18Q-H N 7.02 ambi=1 { N:116.713 } :: atom: 108 14K-HB3 B 1.356 ambi=2 { CB:36.343 } atom: 148 18Q-H N 7.02 ambi=1 { N:116.713 } ::sumAvg: 4.08 atom: 108 14K-HB3 B 1.356 ambi=2 { CB:36.343 } atom: 150 18Q-HB2 B 2.086 ambi=2 { CB:28.551 } :: atom: 108 14K-HB3 B 1.356 ambi=2 { CB:36.343 } atom: 151 18Q-HB3 B 2.075 ambi=2 { CB:28.551 } ::sumAvg: 3.09 atom: 150 18Q-HB2 B 2.086 ambi=2 { CB:28.551 } atom: 108 14K-HB3 B 1.356 ambi=2 { CB:36.343 } :: atom: 151 18Q-HB3 B 2.075 ambi=2 { CB:28.551 } atom: 108 14K-HB3 B 1.356 ambi=2 { CB:36.343 } ::sumAvg: 3.09 atom: 107 14K-HB2 B 1.704 ambi=2 { CB:36.343 } atom: 153 18Q-QG G 2.434 ambi=2 { CG:33.72 } :: atom: 108 14K-HB3 B 1.356 ambi=2 { CB:36.343 } atom: 153 18Q-QG G 2.434 ambi=2 { CG:33.72 } ::sumAvg: 4.195 atom: 153 18Q-QG G 2.434 ambi=2 { CG:33.72 } atom: 107 14K-HB2 B 1.704 ambi=2 { CB:36.343 } :: atom: 153 18Q-QG G 2.434 ambi=2 { CG:33.72 } atom: 108 14K-HB3 B 1.356 ambi=2 { CB:36.343 } ::sumAvg: 4.195 atom: 107 14K-HB2 B 1.704 ambi=2 { CB:36.343 } atom: 158 19L-H N 7.206 ambi=1 { N:118.756 } :: atom: 108 14K-HB3 B 1.356 ambi=2 { CB:36.343 } atom: 158 19L-H N 7.206 ambi=1 { N:118.756 } ::sumAvg: 4.75 atom: 107 14K-HB2 B 1.704 ambi=2 { CB:36.343 } atom: 159 19L-HA A 4.263 ambi=1 { CA:57.178 } :: atom: 108 14K-HB3 B 1.356 ambi=2 { CB:36.343 } atom: 159 19L-HA A 4.263 ambi=1 { CA:57.178 } ::sumAvg: 4.76 atom: 160 19L-HB2 B 1.966 ambi=2 { CB:42.129 } atom: 108 14K-HB3 B 1.356 ambi=2 { CB:36.343 } ::sumAvg: 4.855 atom: 108 14K-HB3 B 1.356 ambi=2 { CB:36.343 } atom: 162 19L-HG G 1.821 ambi=1 { CG:26.77 } ::sumAvg: 2.595 atom: 162 19L-HG G 1.821 ambi=1 { CG:26.77 } atom: 108 14K-HB3 B 1.356 ambi=2 { CB:36.343 } ::sumAvg: 2.595 atom: 107 14K-HB2 B 1.704 ambi=2 { CB:36.343 } atom: 855 102T-HB B 4.01 ambi=1 { CB:71.362 } :: atom: 108 14K-HB3 B 1.356 ambi=2 { CB:36.343 } atom: 855 102T-HB B 4.01 ambi=1 { CB:71.362 } ::sumAvg: 4.705 atom: 855 102T-HB B 4.01 ambi=1 { CB:71.362 } atom: 107 14K-HB2 B 1.704 ambi=2 { CB:36.343 } :: atom: 855 102T-HB B 4.01 ambi=1 { CB:71.362 } atom: 108 14K-HB3 B 1.356 ambi=2 { CB:36.343 } ::sumAvg: 4.705 atom: 109 14K-HG2 G 1.534 ambi=2 { CG:24.765 } atom: 126 15P-HD2 D 3.874 ambi=2 { CD:51.232 } :: atom: 109 14K-HG2 G 1.534 ambi=2 { CG:24.765 } atom: 127 15P-HD3 D 3.466 ambi=2 { CD:51.232 } :: atom: 110 14K-HG3 G 1.26 ambi=2 { CG:24.765 } atom: 126 15P-HD2 D 3.874 ambi=2 { CD:51.232 } :: atom: 110 14K-HG3 G 1.26 ambi=2 { CG:24.765 } atom: 127 15P-HD3 D 3.466 ambi=2 { CD:51.232 } ::sumAvg: 4.155 atom: 126 15P-HD2 D 3.874 ambi=2 { CD:51.232 } atom: 109 14K-HG2 G 1.534 ambi=2 { CG:24.765 } :: atom: 127 15P-HD3 D 3.466 ambi=2 { CD:51.232 } atom: 109 14K-HG2 G 1.534 ambi=2 { CG:24.765 } :: atom: 126 15P-HD2 D 3.874 ambi=2 { CD:51.232 } atom: 110 14K-HG3 G 1.26 ambi=2 { CG:24.765 } :: atom: 127 15P-HD3 D 3.466 ambi=2 { CD:51.232 } atom: 110 14K-HG3 G 1.26 ambi=2 { CG:24.765 } ::sumAvg: 4.155 atom: 150 18Q-HB2 B 2.086 ambi=2 { CB:28.551 } atom: 109 14K-HG2 G 1.534 ambi=2 { CG:24.765 } :: atom: 151 18Q-HB3 B 2.075 ambi=2 { CB:28.551 } atom: 109 14K-HG2 G 1.534 ambi=2 { CG:24.765 } :: atom: 150 18Q-HB2 B 2.086 ambi=2 { CB:28.551 } atom: 110 14K-HG3 G 1.26 ambi=2 { CG:24.765 } :: atom: 151 18Q-HB3 B 2.075 ambi=2 { CB:28.551 } atom: 110 14K-HG3 G 1.26 ambi=2 { CG:24.765 } ::sumAvg: 3.995 atom: 110 14K-HG3 G 1.26 ambi=2 { CG:24.765 } atom: 162 19L-HG G 1.821 ambi=1 { CG:26.77 } ::sumAvg: 4.26 atom: 162 19L-HG G 1.821 ambi=1 { CG:26.77 } atom: 110 14K-HG3 G 1.26 ambi=2 { CG:24.765 } ::sumAvg: 4.26 atom: 111 14K-HD2 D 1.951 ambi=2 { CD:28.422 } atom: 153 18Q-QG G 2.434 ambi=2 { CG:33.72 } :: atom: 112 14K-HD3 D 1.736 ambi=2 { CD:28.422 } atom: 153 18Q-QG G 2.434 ambi=2 { CG:33.72 } ::sumAvg: 4.4 atom: 153 18Q-QG G 2.434 ambi=2 { CG:33.72 } atom: 111 14K-HD2 D 1.951 ambi=2 { CD:28.422 } :: atom: 153 18Q-QG G 2.434 ambi=2 { CG:33.72 } atom: 112 14K-HD3 D 1.736 ambi=2 { CD:28.422 } ::sumAvg: 4.4 atom: 113 14K-HE2 E 3.064 ambi=2 { CE:42.05 } atom: 126 15P-HD2 D 3.874 ambi=2 { CD:51.232 } :: atom: 113 14K-HE2 E 3.064 ambi=2 { CE:42.05 } atom: 127 15P-HD3 D 3.466 ambi=2 { CD:51.232 } :: atom: 114 14K-HE3 E 2.948 ambi=2 { CE:42.05 } atom: 126 15P-HD2 D 3.874 ambi=2 { CD:51.232 } :: atom: 114 14K-HE3 E 2.948 ambi=2 { CE:42.05 } atom: 127 15P-HD3 D 3.466 ambi=2 { CD:51.232 } ::sumAvg: 4.64 atom: 126 15P-HD2 D 3.874 ambi=2 { CD:51.232 } atom: 113 14K-HE2 E 3.064 ambi=2 { CE:42.05 } :: atom: 127 15P-HD3 D 3.466 ambi=2 { CD:51.232 } atom: 113 14K-HE2 E 3.064 ambi=2 { CE:42.05 } :: atom: 126 15P-HD2 D 3.874 ambi=2 { CD:51.232 } atom: 114 14K-HE3 E 2.948 ambi=2 { CE:42.05 } :: atom: 127 15P-HD3 D 3.466 ambi=2 { CD:51.232 } atom: 114 14K-HE3 E 2.948 ambi=2 { CE:42.05 } ::sumAvg: 4.64 atom: 150 18Q-HB2 B 2.086 ambi=2 { CB:28.551 } atom: 113 14K-HE2 E 3.064 ambi=2 { CE:42.05 } :: atom: 151 18Q-HB3 B 2.075 ambi=2 { CB:28.551 } atom: 113 14K-HE2 E 3.064 ambi=2 { CE:42.05 } :: atom: 150 18Q-HB2 B 2.086 ambi=2 { CB:28.551 } atom: 114 14K-HE3 E 2.948 ambi=2 { CE:42.05 } :: atom: 151 18Q-HB3 B 2.075 ambi=2 { CB:28.551 } atom: 114 14K-HE3 E 2.948 ambi=2 { CE:42.05 } ::sumAvg: 4.02 atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } atom: 113 14K-HE2 E 3.064 ambi=2 { CE:42.05 } :: atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } atom: 113 14K-HE2 E 3.064 ambi=2 { CE:42.05 } :: atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } atom: 114 14K-HE3 E 2.948 ambi=2 { CE:42.05 } :: atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } atom: 114 14K-HE3 E 2.948 ambi=2 { CE:42.05 } ::sumAvg: 3.715 atom: 121 15P-HA A 4.449 ambi=1 { CA:62.28 } atom: 133 16A-HA A 3.801 ambi=1 { CA:56.053 } ::sumAvg: 4.935 atom: 121 15P-HA A 4.449 ambi=1 { CA:62.28 } atom: 134 16A-HB B 1.48 ambi=1 { CB:19.037 } ::sumAvg: 4.06 atom: 121 15P-HA A 4.449 ambi=1 { CA:62.28 } atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } :: atom: 121 15P-HA A 4.449 ambi=1 { CA:62.28 } atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } ::sumAvg: 4.9 atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } atom: 121 15P-HA A 4.449 ambi=1 { CA:62.28 } :: atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } atom: 121 15P-HA A 4.449 ambi=1 { CA:62.28 } ::sumAvg: 4.9 atom: 121 15P-HA A 4.449 ambi=1 { CA:62.28 } atom: 855 102T-HB B 4.01 ambi=1 { CB:71.362 } ::sumAvg: 4.93 atom: 855 102T-HB B 4.01 ambi=1 { CB:71.362 } atom: 121 15P-HA A 4.449 ambi=1 { CA:62.28 } ::sumAvg: 4.93 atom: 121 15P-HA A 4.449 ambi=1 { CA:62.28 } atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } ::sumAvg: 4.765 atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } atom: 121 15P-HA A 4.449 ambi=1 { CA:62.28 } ::sumAvg: 4.765 atom: 122 15P-HB2 B 2.567 ambi=2 { CB:32.875 } atom: 133 16A-HA A 3.801 ambi=1 { CA:56.053 } :: atom: 123 15P-HB3 B 1.984 ambi=2 { CB:32.875 } atom: 133 16A-HA A 3.801 ambi=1 { CA:56.053 } ::sumAvg: 4.685 atom: 123 15P-HB3 B 1.984 ambi=2 { CB:32.875 } atom: 142 17E-HG2 G 2.401 ambi=2 { CG:35.472 } ::sumAvg: 4.91 atom: 126 15P-HD2 D 3.874 ambi=2 { CD:51.232 } atom: 138 17E-H N 9.433 ambi=1 { N:115.647 } :: atom: 127 15P-HD3 D 3.466 ambi=2 { CD:51.232 } atom: 138 17E-H N 9.433 ambi=1 { N:115.647 } ::sumAvg: 4.695 atom: 126 15P-HD2 D 3.874 ambi=2 { CD:51.232 } atom: 148 18Q-H N 7.02 ambi=1 { N:116.713 } :: atom: 127 15P-HD3 D 3.466 ambi=2 { CD:51.232 } atom: 148 18Q-H N 7.02 ambi=1 { N:116.713 } ::sumAvg: 3.82 atom: 150 18Q-HB2 B 2.086 ambi=2 { CB:28.551 } atom: 126 15P-HD2 D 3.874 ambi=2 { CD:51.232 } :: atom: 151 18Q-HB3 B 2.075 ambi=2 { CB:28.551 } atom: 126 15P-HD2 D 3.874 ambi=2 { CD:51.232 } :: atom: 150 18Q-HB2 B 2.086 ambi=2 { CB:28.551 } atom: 127 15P-HD3 D 3.466 ambi=2 { CD:51.232 } :: atom: 151 18Q-HB3 B 2.075 ambi=2 { CB:28.551 } atom: 127 15P-HD3 D 3.466 ambi=2 { CD:51.232 } ::sumAvg: 3.66 atom: 126 15P-HD2 D 3.874 ambi=2 { CD:51.232 } atom: 153 18Q-QG G 2.434 ambi=2 { CG:33.72 } :: atom: 127 15P-HD3 D 3.466 ambi=2 { CD:51.232 } atom: 153 18Q-QG G 2.434 ambi=2 { CG:33.72 } ::sumAvg: 3.71 atom: 126 15P-HD2 D 3.874 ambi=2 { CD:51.232 } atom: 162 19L-HG G 1.821 ambi=1 { CG:26.77 } :: atom: 127 15P-HD3 D 3.466 ambi=2 { CD:51.232 } atom: 162 19L-HG G 1.821 ambi=1 { CG:26.77 } ::sumAvg: 4.77 atom: 162 19L-HG G 1.821 ambi=1 { CG:26.77 } atom: 126 15P-HD2 D 3.874 ambi=2 { CD:51.232 } :: atom: 162 19L-HG G 1.821 ambi=1 { CG:26.77 } atom: 127 15P-HD3 D 3.466 ambi=2 { CD:51.232 } ::sumAvg: 4.77 atom: 126 15P-HD2 D 3.874 ambi=2 { CD:51.232 } atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } :: atom: 126 15P-HD2 D 3.874 ambi=2 { CD:51.232 } atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } :: atom: 127 15P-HD3 D 3.466 ambi=2 { CD:51.232 } atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } :: atom: 127 15P-HD3 D 3.466 ambi=2 { CD:51.232 } atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } ::sumAvg: 4.86 atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } atom: 126 15P-HD2 D 3.874 ambi=2 { CD:51.232 } :: atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } atom: 126 15P-HD2 D 3.874 ambi=2 { CD:51.232 } :: atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } atom: 127 15P-HD3 D 3.466 ambi=2 { CD:51.232 } :: atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } atom: 127 15P-HD3 D 3.466 ambi=2 { CD:51.232 } ::sumAvg: 4.86 atom: 139 17E-HA A 3.706 ambi=1 { CA:60.551 } atom: 132 16A-H N 8.509 ambi=1 { N:125.684 } ::sumAvg: 4.655 atom: 153 18Q-QG G 2.434 ambi=2 { CG:33.72 } atom: 132 16A-H N 8.509 ambi=1 { N:125.684 } ::sumAvg: 4.39 atom: 160 19L-HB2 B 1.966 ambi=2 { CB:42.129 } atom: 132 16A-H N 8.509 ambi=1 { N:125.684 } :: atom: 161 19L-HB3 B 1.588 ambi=2 { CB:42.129 } atom: 132 16A-H N 8.509 ambi=1 { N:125.684 } ::sumAvg: 4.45 atom: 162 19L-HG G 1.821 ambi=1 { CG:26.77 } atom: 132 16A-H N 8.509 ambi=1 { N:125.684 } ::sumAvg: 3.485 atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } atom: 132 16A-H N 8.509 ambi=1 { N:125.684 } :: atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } atom: 132 16A-H N 8.509 ambi=1 { N:125.684 } ::sumAvg: 3.69 atom: 133 16A-HA A 3.801 ambi=1 { CA:56.053 } atom: 148 18Q-H N 7.02 ambi=1 { N:116.713 } ::sumAvg: 4.38 atom: 133 16A-HA A 3.801 ambi=1 { CA:56.053 } atom: 158 19L-H N 7.206 ambi=1 { N:118.756 } ::sumAvg: 3.62 atom: 160 19L-HB2 B 1.966 ambi=2 { CB:42.129 } atom: 133 16A-HA A 3.801 ambi=1 { CA:56.053 } :: atom: 161 19L-HB3 B 1.588 ambi=2 { CB:42.129 } atom: 133 16A-HA A 3.801 ambi=1 { CA:56.053 } ::sumAvg: 2.9 atom: 133 16A-HA A 3.801 ambi=1 { CA:56.053 } atom: 162 19L-HG G 1.821 ambi=1 { CG:26.77 } ::sumAvg: 3.31 atom: 162 19L-HG G 1.821 ambi=1 { CG:26.77 } atom: 133 16A-HA A 3.801 ambi=1 { CA:56.053 } ::sumAvg: 3.31 atom: 133 16A-HA A 3.801 ambi=1 { CA:56.053 } atom: 590 72G-HA3 A 2.762 ambi=2 { CA:45.502 } ::sumAvg: 4.915 atom: 590 72G-HA3 A 2.762 ambi=2 { CA:45.502 } atom: 133 16A-HA A 3.801 ambi=1 { CA:56.053 } ::sumAvg: 4.915 atom: 775 93F-HB2 B 3.076 ambi=2 { CB:40.313 } atom: 133 16A-HA A 3.801 ambi=1 { CA:56.053 } :: atom: 776 93F-HB3 B 2.639 ambi=2 { CB:40.313 } atom: 133 16A-HA A 3.801 ambi=1 { CA:56.053 } ::sumAvg: 4.215 atom: 133 16A-HA A 3.801 ambi=1 { CA:56.053 } atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } ::sumAvg: 3.655 atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } atom: 133 16A-HA A 3.801 ambi=1 { CA:56.053 } ::sumAvg: 3.655 atom: 133 16A-HA A 3.801 ambi=1 { CA:56.053 } atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } :: atom: 133 16A-HA A 3.801 ambi=1 { CA:56.053 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } ::sumAvg: 4.385 atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } atom: 133 16A-HA A 3.801 ambi=1 { CA:56.053 } :: atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 133 16A-HA A 3.801 ambi=1 { CA:56.053 } ::sumAvg: 4.385 atom: 134 16A-HB B 1.48 ambi=1 { CB:19.037 } atom: 139 17E-HA A 3.706 ambi=1 { CA:60.551 } ::sumAvg: 3.71 atom: 134 16A-HB B 1.48 ambi=1 { CB:19.037 } atom: 142 17E-HG2 G 2.401 ambi=2 { CG:35.472 } :: atom: 134 16A-HB B 1.48 ambi=1 { CB:19.037 } atom: 143 17E-HG3 G 2.301 ambi=2 { CG:35.472 } ::sumAvg: 4.27 atom: 142 17E-HG2 G 2.401 ambi=2 { CG:35.472 } atom: 134 16A-HB B 1.48 ambi=1 { CB:19.037 } :: atom: 143 17E-HG3 G 2.301 ambi=2 { CG:35.472 } atom: 134 16A-HB B 1.48 ambi=1 { CB:19.037 } ::sumAvg: 4.27 atom: 134 16A-HB B 1.48 ambi=1 { CB:19.037 } atom: 148 18Q-H N 7.02 ambi=1 { N:116.713 } ::sumAvg: 4.395 atom: 134 16A-HB B 1.48 ambi=1 { CB:19.037 } atom: 158 19L-H N 7.206 ambi=1 { N:118.756 } ::sumAvg: 4.38 atom: 160 19L-HB2 B 1.966 ambi=2 { CB:42.129 } atom: 134 16A-HB B 1.48 ambi=1 { CB:19.037 } ::sumAvg: 4.135 atom: 134 16A-HB B 1.48 ambi=1 { CB:19.037 } atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } :: atom: 134 16A-HB B 1.48 ambi=1 { CB:19.037 } atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } ::sumAvg: 3.785 atom: 134 16A-HB B 1.48 ambi=1 { CB:19.037 } atom: 579 71P-QB B 1.929 ambi=2 { CB:31.634 } ::sumAvg: 4.205 atom: 579 71P-QB B 1.929 ambi=2 { CB:31.634 } atom: 134 16A-HB B 1.48 ambi=1 { CB:19.037 } ::sumAvg: 4.205 atom: 134 16A-HB B 1.48 ambi=1 { CB:19.037 } atom: 592 73K-H N 8.345 ambi=1 { N:115.647 } ::sumAvg: 4.885 atom: 134 16A-HB B 1.48 ambi=1 { CB:19.037 } atom: 855 102T-HB B 4.01 ambi=1 { CB:71.362 } ::sumAvg: 4.615 atom: 855 102T-HB B 4.01 ambi=1 { CB:71.362 } atom: 134 16A-HB B 1.48 ambi=1 { CB:19.037 } ::sumAvg: 4.615 atom: 134 16A-HB B 1.48 ambi=1 { CB:19.037 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } ::sumAvg: 4.87 atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 134 16A-HB B 1.48 ambi=1 { CB:19.037 } ::sumAvg: 4.87 atom: 153 18Q-QG G 2.434 ambi=2 { CG:33.72 } atom: 138 17E-H N 9.433 ambi=1 { N:115.647 } ::sumAvg: 4.575 atom: 139 17E-HA A 3.706 ambi=1 { CA:60.551 } atom: 149 18Q-HA A 4.171 ambi=1 { CA:58.216 } ::sumAvg: 4.685 atom: 149 18Q-HA A 4.171 ambi=1 { CA:58.216 } atom: 139 17E-HA A 3.706 ambi=1 { CA:60.551 } ::sumAvg: 4.685 atom: 139 17E-HA A 3.706 ambi=1 { CA:60.551 } atom: 158 19L-H N 7.206 ambi=1 { N:118.756 } ::sumAvg: 3.795 atom: 139 17E-HA A 3.706 ambi=1 { CA:60.551 } atom: 171 20Y-H N 8.287 ambi=1 { N:120.392 } ::sumAvg: 4.21 atom: 173 20Y-HB2 B 2.712 ambi=2 { CB:37.218 } atom: 139 17E-HA A 3.706 ambi=1 { CA:60.551 } :: atom: 174 20Y-HB3 B 1.907 ambi=2 { CB:37.218 } atom: 139 17E-HA A 3.706 ambi=1 { CA:60.551 } ::sumAvg: 4.65 atom: 139 17E-HA A 3.706 ambi=1 { CA:60.551 } atom: 175 20Y-QD D 6.93 ambi=3 { CD1:132.339 } ::sumAvg: 4.495 atom: 175 20Y-QD D 6.93 ambi=3 { CD1:132.339 } atom: 139 17E-HA A 3.706 ambi=1 { CA:60.551 } ::sumAvg: 4.495 atom: 139 17E-HA A 3.706 ambi=1 { CA:60.551 } atom: 627 75I-HD1 D1 0.912 ambi=1 { CD1:15.093 } ::sumAvg: 4.81 atom: 627 75I-HD1 D1 0.912 ambi=1 { CD1:15.093 } atom: 139 17E-HA A 3.706 ambi=1 { CA:60.551 } ::sumAvg: 4.81 atom: 140 17E-HB2 B 2.089 ambi=2 { CB:27.859 } atom: 149 18Q-HA A 4.171 ambi=1 { CA:58.216 } :: atom: 141 17E-HB3 B 2.017 ambi=2 { CB:27.859 } atom: 149 18Q-HA A 4.171 ambi=1 { CA:58.216 } ::sumAvg: 4.335 atom: 153 18Q-QG G 2.434 ambi=2 { CG:33.72 } atom: 141 17E-HB3 B 2.017 ambi=2 { CB:27.859 } ::sumAvg: 3.42 atom: 140 17E-HB2 B 2.089 ambi=2 { CB:27.859 } atom: 158 19L-H N 7.206 ambi=1 { N:118.756 } :: atom: 141 17E-HB3 B 2.017 ambi=2 { CB:27.859 } atom: 158 19L-H N 7.206 ambi=1 { N:118.756 } ::sumAvg: 4.745 atom: 159 19L-HA A 4.263 ambi=1 { CA:57.178 } atom: 148 18Q-H N 7.02 ambi=1 { N:116.713 } ::sumAvg: 4.95 atom: 160 19L-HB2 B 1.966 ambi=2 { CB:42.129 } atom: 148 18Q-H N 7.02 ambi=1 { N:116.713 } :: atom: 161 19L-HB3 B 1.588 ambi=2 { CB:42.129 } atom: 148 18Q-H N 7.02 ambi=1 { N:116.713 } ::sumAvg: 4.425 atom: 162 19L-HG G 1.821 ambi=1 { CG:26.77 } atom: 148 18Q-H N 7.02 ambi=1 { N:116.713 } ::sumAvg: 3.755 atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } atom: 148 18Q-H N 7.02 ambi=1 { N:116.713 } :: atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } atom: 148 18Q-H N 7.02 ambi=1 { N:116.713 } ::sumAvg: 4.73 atom: 149 18Q-HA A 4.171 ambi=1 { CA:58.216 } atom: 171 20Y-H N 8.287 ambi=1 { N:120.392 } ::sumAvg: 3.955 atom: 149 18Q-HA A 4.171 ambi=1 { CA:58.216 } atom: 236 26L-HD1 D1 0.792 ambi=2 { CD1:21.273 } :: atom: 149 18Q-HA A 4.171 ambi=1 { CA:58.216 } atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } ::sumAvg: 4.44 atom: 150 18Q-HB2 B 2.086 ambi=2 { CB:28.551 } atom: 159 19L-HA A 4.263 ambi=1 { CA:57.178 } :: atom: 151 18Q-HB3 B 2.075 ambi=2 { CB:28.551 } atom: 159 19L-HA A 4.263 ambi=1 { CA:57.178 } ::sumAvg: 4.52 atom: 150 18Q-HB2 B 2.086 ambi=2 { CB:28.551 } atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } :: atom: 150 18Q-HB2 B 2.086 ambi=2 { CB:28.551 } atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } :: atom: 151 18Q-HB3 B 2.075 ambi=2 { CB:28.551 } atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } :: atom: 151 18Q-HB3 B 2.075 ambi=2 { CB:28.551 } atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } ::sumAvg: 4.16 atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } atom: 150 18Q-HB2 B 2.086 ambi=2 { CB:28.551 } :: atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } atom: 150 18Q-HB2 B 2.086 ambi=2 { CB:28.551 } :: atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } atom: 151 18Q-HB3 B 2.075 ambi=2 { CB:28.551 } :: atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } atom: 151 18Q-HB3 B 2.075 ambi=2 { CB:28.551 } ::sumAvg: 4.16 atom: 150 18Q-HB2 B 2.086 ambi=2 { CB:28.551 } atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } :: atom: 151 18Q-HB3 B 2.075 ambi=2 { CB:28.551 } atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } ::sumAvg: 4.68 atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } atom: 150 18Q-HB2 B 2.086 ambi=2 { CB:28.551 } :: atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } atom: 151 18Q-HB3 B 2.075 ambi=2 { CB:28.551 } ::sumAvg: 4.68 atom: 150 18Q-HB2 B 2.086 ambi=2 { CB:28.551 } atom: 236 26L-HD1 D1 0.792 ambi=2 { CD1:21.273 } :: atom: 150 18Q-HB2 B 2.086 ambi=2 { CB:28.551 } atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } :: atom: 151 18Q-HB3 B 2.075 ambi=2 { CB:28.551 } atom: 236 26L-HD1 D1 0.792 ambi=2 { CD1:21.273 } :: atom: 151 18Q-HB3 B 2.075 ambi=2 { CB:28.551 } atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } ::sumAvg: 4.16 atom: 236 26L-HD1 D1 0.792 ambi=2 { CD1:21.273 } atom: 150 18Q-HB2 B 2.086 ambi=2 { CB:28.551 } :: atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } atom: 150 18Q-HB2 B 2.086 ambi=2 { CB:28.551 } :: atom: 236 26L-HD1 D1 0.792 ambi=2 { CD1:21.273 } atom: 151 18Q-HB3 B 2.075 ambi=2 { CB:28.551 } :: atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } atom: 151 18Q-HB3 B 2.075 ambi=2 { CB:28.551 } ::sumAvg: 4.16 atom: 153 18Q-QG G 2.434 ambi=2 { CG:33.72 } atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } ::sumAvg: 4.73 atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } atom: 153 18Q-QG G 2.434 ambi=2 { CG:33.72 } ::sumAvg: 4.73 atom: 153 18Q-QG G 2.434 ambi=2 { CG:33.72 } atom: 236 26L-HD1 D1 0.792 ambi=2 { CD1:21.273 } :: atom: 153 18Q-QG G 2.434 ambi=2 { CG:33.72 } atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } ::sumAvg: 4.785 atom: 236 26L-HD1 D1 0.792 ambi=2 { CD1:21.273 } atom: 153 18Q-QG G 2.434 ambi=2 { CG:33.72 } :: atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } atom: 153 18Q-QG G 2.434 ambi=2 { CG:33.72 } ::sumAvg: 4.785 atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } atom: 158 19L-H N 7.206 ambi=1 { N:118.756 } ::sumAvg: 4.89 atom: 173 20Y-HB2 B 2.712 ambi=2 { CB:37.218 } atom: 158 19L-H N 7.206 ambi=1 { N:118.756 } :: atom: 174 20Y-HB3 B 1.907 ambi=2 { CB:37.218 } atom: 158 19L-H N 7.206 ambi=1 { N:118.756 } ::sumAvg: 4.5 atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } atom: 158 19L-H N 7.206 ambi=1 { N:118.756 } :: atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } atom: 158 19L-H N 7.206 ambi=1 { N:118.756 } ::sumAvg: 4.935 atom: 159 19L-HA A 4.263 ambi=1 { CA:57.178 } atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } ::sumAvg: 4.56 atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } atom: 159 19L-HA A 4.263 ambi=1 { CA:57.178 } ::sumAvg: 4.56 atom: 159 19L-HA A 4.263 ambi=1 { CA:57.178 } atom: 184 21A-H N 7.465 ambi=1 { N:119.301 } ::sumAvg: 4.095 atom: 159 19L-HA A 4.263 ambi=1 { CA:57.178 } atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } ::sumAvg: 4.76 atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } atom: 159 19L-HA A 4.263 ambi=1 { CA:57.178 } ::sumAvg: 4.76 atom: 159 19L-HA A 4.263 ambi=1 { CA:57.178 } atom: 190 22V-H N 7.129 ambi=1 { N:115.785 } ::sumAvg: 4.395 atom: 160 19L-HB2 B 1.966 ambi=2 { CB:42.129 } atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } :: atom: 161 19L-HB3 B 1.588 ambi=2 { CB:42.129 } atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } ::sumAvg: 4.535 atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } atom: 160 19L-HB2 B 1.966 ambi=2 { CB:42.129 } :: atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } atom: 161 19L-HB3 B 1.588 ambi=2 { CB:42.129 } ::sumAvg: 4.535 atom: 160 19L-HB2 B 1.966 ambi=2 { CB:42.129 } atom: 173 20Y-HB2 B 2.712 ambi=2 { CB:37.218 } :: atom: 161 19L-HB3 B 1.588 ambi=2 { CB:42.129 } atom: 173 20Y-HB2 B 2.712 ambi=2 { CB:37.218 } ::sumAvg: 4.825 atom: 173 20Y-HB2 B 2.712 ambi=2 { CB:37.218 } atom: 160 19L-HB2 B 1.966 ambi=2 { CB:42.129 } :: atom: 173 20Y-HB2 B 2.712 ambi=2 { CB:37.218 } atom: 161 19L-HB3 B 1.588 ambi=2 { CB:42.129 } ::sumAvg: 4.825 atom: 160 19L-HB2 B 1.966 ambi=2 { CB:42.129 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 160 19L-HB2 B 1.966 ambi=2 { CB:42.129 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } :: atom: 161 19L-HB3 B 1.588 ambi=2 { CB:42.129 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 161 19L-HB3 B 1.588 ambi=2 { CB:42.129 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 4.66 atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } atom: 160 19L-HB2 B 1.966 ambi=2 { CB:42.129 } :: atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } atom: 160 19L-HB2 B 1.966 ambi=2 { CB:42.129 } :: atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } atom: 161 19L-HB3 B 1.588 ambi=2 { CB:42.129 } :: atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } atom: 161 19L-HB3 B 1.588 ambi=2 { CB:42.129 } ::sumAvg: 4.66 atom: 162 19L-HG G 1.821 ambi=1 { CG:26.77 } atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } ::sumAvg: 4.83 atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } atom: 162 19L-HG G 1.821 ambi=1 { CG:26.77 } ::sumAvg: 4.83 atom: 162 19L-HG G 1.821 ambi=1 { CG:26.77 } atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } :: atom: 162 19L-HG G 1.821 ambi=1 { CG:26.77 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } ::sumAvg: 4.34 atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } atom: 162 19L-HG G 1.821 ambi=1 { CG:26.77 } :: atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 162 19L-HG G 1.821 ambi=1 { CG:26.77 } ::sumAvg: 4.34 atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } atom: 192 22V-HB B 2.311 ambi=1 { CB:31.924 } :: atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } atom: 192 22V-HB B 2.311 ambi=1 { CB:31.924 } ::sumAvg: 4.835 atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } :: atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 4.905 atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } atom: 774 93F-HA A 5.131 ambi=1 { CA:55.708 } :: atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } atom: 774 93F-HA A 5.131 ambi=1 { CA:55.708 } ::sumAvg: 4.485 atom: 774 93F-HA A 5.131 ambi=1 { CA:55.708 } atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } :: atom: 774 93F-HA A 5.131 ambi=1 { CA:55.708 } atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } ::sumAvg: 4.485 atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } atom: 775 93F-HB2 B 3.076 ambi=2 { CB:40.313 } :: atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } atom: 776 93F-HB3 B 2.639 ambi=2 { CB:40.313 } :: atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } atom: 775 93F-HB2 B 3.076 ambi=2 { CB:40.313 } :: atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } atom: 776 93F-HB3 B 2.639 ambi=2 { CB:40.313 } ::sumAvg: 3.69 atom: 775 93F-HB2 B 3.076 ambi=2 { CB:40.313 } atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } :: atom: 776 93F-HB3 B 2.639 ambi=2 { CB:40.313 } atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } :: atom: 775 93F-HB2 B 3.076 ambi=2 { CB:40.313 } atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } :: atom: 776 93F-HB3 B 2.639 ambi=2 { CB:40.313 } atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } ::sumAvg: 3.69 atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } ::sumAvg: 2.75 atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } ::sumAvg: 2.75 atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } :: atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } ::sumAvg: 4.47 atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } :: atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } ::sumAvg: 3.895 atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } :: atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } ::sumAvg: 3.895 atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } :: atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } ::sumAvg: 2.09 atom: 1154 144Q-QG G 1.95 ambi=2 { CG:34.558 } atom: 163 19L-HD1 D1 0.931 ambi=2 { CD1:27.252 } :: atom: 1154 144Q-QG G 1.95 ambi=2 { CG:34.558 } atom: 164 19L-HD2 D2 0.826 ambi=2 { CD2:22.784 } ::sumAvg: 4.775 atom: 185 21A-HA A 3.67 ambi=1 { CA:54.67 } atom: 171 20Y-H N 8.287 ambi=1 { N:120.392 } ::sumAvg: 4.86 atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } atom: 171 20Y-H N 8.287 ambi=1 { N:120.392 } :: atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } atom: 171 20Y-H N 8.287 ambi=1 { N:120.392 } ::sumAvg: 4.215 atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } ::sumAvg: 4.905 atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } ::sumAvg: 4.905 atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } atom: 190 22V-H N 7.129 ambi=1 { N:115.785 } ::sumAvg: 3.65 atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } :: atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } ::sumAvg: 3.65 atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } :: atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } ::sumAvg: 3.65 atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } atom: 200 23W-H N 7.153 ambi=1 { N:119.845 } ::sumAvg: 4.95 atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } ::sumAvg: 4.7 atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } ::sumAvg: 4.7 atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } atom: 626 75I-HG2 G2 1.341 ambi=1 { CG2:17.944 } ::sumAvg: 4.99 atom: 626 75I-HG2 G2 1.341 ambi=1 { CG2:17.944 } atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } ::sumAvg: 4.99 atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 4.905 atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } :: atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } atom: 172 20Y-HA A 3.544 ambi=1 { CA:60.683 } ::sumAvg: 4.905 atom: 173 20Y-HB2 B 2.712 ambi=2 { CB:37.218 } atom: 185 21A-HA A 3.67 ambi=1 { CA:54.67 } :: atom: 174 20Y-HB3 B 1.907 ambi=2 { CB:37.218 } atom: 185 21A-HA A 3.67 ambi=1 { CA:54.67 } ::sumAvg: 4.54 atom: 185 21A-HA A 3.67 ambi=1 { CA:54.67 } atom: 173 20Y-HB2 B 2.712 ambi=2 { CB:37.218 } :: atom: 185 21A-HA A 3.67 ambi=1 { CA:54.67 } atom: 174 20Y-HB3 B 1.907 ambi=2 { CB:37.218 } ::sumAvg: 4.54 atom: 173 20Y-HB2 B 2.712 ambi=2 { CB:37.218 } atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } ::sumAvg: 4.5 atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } atom: 173 20Y-HB2 B 2.712 ambi=2 { CB:37.218 } ::sumAvg: 4.5 atom: 173 20Y-HB2 B 2.712 ambi=2 { CB:37.218 } atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } :: atom: 174 20Y-HB3 B 1.907 ambi=2 { CB:37.218 } atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } ::sumAvg: 4.5 atom: 173 20Y-HB2 B 2.712 ambi=2 { CB:37.218 } atom: 626 75I-HG2 G2 1.341 ambi=1 { CG2:17.944 } :: atom: 174 20Y-HB3 B 1.907 ambi=2 { CB:37.218 } atom: 626 75I-HG2 G2 1.341 ambi=1 { CG2:17.944 } ::sumAvg: 4.305 atom: 173 20Y-HB2 B 2.712 ambi=2 { CB:37.218 } atom: 627 75I-HD1 D1 0.912 ambi=1 { CD1:15.093 } :: atom: 174 20Y-HB3 B 1.907 ambi=2 { CB:37.218 } atom: 627 75I-HD1 D1 0.912 ambi=1 { CD1:15.093 } ::sumAvg: 3.935 atom: 175 20Y-QD D 6.93 ambi=3 { CD1:132.339 } atom: 185 21A-HA A 3.67 ambi=1 { CA:54.67 } ::sumAvg: 4.535 atom: 185 21A-HA A 3.67 ambi=1 { CA:54.67 } atom: 175 20Y-QD D 6.93 ambi=3 { CD1:132.339 } ::sumAvg: 4.535 atom: 175 20Y-QD D 6.93 ambi=3 { CD1:132.339 } atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } ::sumAvg: 3.58 atom: 175 20Y-QD D 6.93 ambi=3 { CD1:132.339 } atom: 752 91V-HB B 1.403 ambi=1 { CB:33.653 } ::sumAvg: 4.59 atom: 175 20Y-QD D 6.93 ambi=3 { CD1:132.339 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 175 20Y-QD D 6.93 ambi=3 { CD1:132.339 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 4.61 atom: 177 20Y-QE E 7.503 ambi=3 { CE1:118.306 } atom: 539 66L-HD1 D1 1.199 ambi=2 { CD1:23.662 } :: atom: 177 20Y-QE E 7.503 ambi=3 { CE1:118.306 } atom: 540 66L-HD2 D2 1.17 ambi=2 { CD2:25.408 } ::sumAvg: 4.905 atom: 539 66L-HD1 D1 1.199 ambi=2 { CD1:23.662 } atom: 177 20Y-QE E 7.503 ambi=3 { CE1:118.306 } :: atom: 540 66L-HD2 D2 1.17 ambi=2 { CD2:25.408 } atom: 177 20Y-QE E 7.503 ambi=3 { CE1:118.306 } ::sumAvg: 4.905 atom: 623 75I-HB B 1.867 ambi=1 { CB:42.821 } atom: 177 20Y-QE E 7.503 ambi=3 { CE1:118.306 } ::sumAvg: 4.6 atom: 177 20Y-QE E 7.503 ambi=3 { CE1:118.306 } atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } ::sumAvg: 4 atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } atom: 177 20Y-QE E 7.503 ambi=3 { CE1:118.306 } ::sumAvg: 4 atom: 177 20Y-QE E 7.503 ambi=3 { CE1:118.306 } atom: 626 75I-HG2 G2 1.341 ambi=1 { CG2:17.944 } ::sumAvg: 3.7 atom: 177 20Y-QE E 7.503 ambi=3 { CE1:118.306 } atom: 627 75I-HD1 D1 0.912 ambi=1 { CD1:15.093 } ::sumAvg: 3.425 atom: 627 75I-HD1 D1 0.912 ambi=1 { CD1:15.093 } atom: 177 20Y-QE E 7.503 ambi=3 { CE1:118.306 } ::sumAvg: 3.425 atom: 177 20Y-QE E 7.503 ambi=3 { CE1:118.306 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 177 20Y-QE E 7.503 ambi=3 { CE1:118.306 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 4.97 atom: 191 22V-HA A 3.67 ambi=1 { CA:65.653 } atom: 184 21A-H N 7.465 ambi=1 { N:119.301 } ::sumAvg: 4.995 atom: 236 26L-HD1 D1 0.792 ambi=2 { CD1:21.273 } atom: 184 21A-H N 7.465 ambi=1 { N:119.301 } :: atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } atom: 184 21A-H N 7.465 ambi=1 { N:119.301 } ::sumAvg: 4.44 atom: 185 21A-HA A 3.67 ambi=1 { CA:54.67 } atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } :: atom: 185 21A-HA A 3.67 ambi=1 { CA:54.67 } atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } ::sumAvg: 4.565 atom: 185 21A-HA A 3.67 ambi=1 { CA:54.67 } atom: 202 23W-HB2 B 3.244 ambi=2 { CB:29.076 } :: atom: 185 21A-HA A 3.67 ambi=1 { CA:54.67 } atom: 203 23W-HB3 B 2.922 ambi=2 { CB:29.076 } ::sumAvg: 4.35 atom: 185 21A-HA A 3.67 ambi=1 { CA:54.67 } atom: 211 24R-H N 7.922 ambi=1 { N:111.929 } ::sumAvg: 4.6 atom: 191 22V-HA A 3.67 ambi=1 { CA:65.653 } atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } ::sumAvg: 3.995 atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } ::sumAvg: 3.905 atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } ::sumAvg: 3.905 atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } atom: 214 24R-HB3 B 0.791 ambi=2 { CB:29.243 } ::sumAvg: 4.965 atom: 214 24R-HB3 B 0.791 ambi=2 { CB:29.243 } atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } ::sumAvg: 4.965 atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } atom: 232 26L-HA A 3.82 ambi=1 { CA:58.697 } ::sumAvg: 3.605 atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } atom: 234 26L-HB3 B 0.966 ambi=2 { CB:38.929 } ::sumAvg: 3.685 atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } atom: 236 26L-HD1 D1 0.792 ambi=2 { CD1:21.273 } :: atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } ::sumAvg: 3.415 atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } atom: 248 27P-QG G 1.9255 ambi=2 { CG:27.14 } ::sumAvg: 4.98 atom: 248 27P-QG G 1.9255 ambi=2 { CG:27.14 } atom: 186 21A-HB B 1.519 ambi=1 { CB:17.826 } ::sumAvg: 4.98 atom: 236 26L-HD1 D1 0.792 ambi=2 { CD1:21.273 } atom: 190 22V-H N 7.129 ambi=1 { N:115.785 } :: atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } atom: 190 22V-H N 7.129 ambi=1 { N:115.785 } ::sumAvg: 4.24 atom: 191 22V-HA A 3.67 ambi=1 { CA:65.653 } atom: 211 24R-H N 7.922 ambi=1 { N:111.929 } ::sumAvg: 3.74 atom: 191 22V-HA A 3.67 ambi=1 { CA:65.653 } atom: 225 25D-HA A 4.655 ambi=1 { CA:51.47 } ::sumAvg: 4.49 atom: 225 25D-HA A 4.655 ambi=1 { CA:51.47 } atom: 191 22V-HA A 3.67 ambi=1 { CA:65.653 } ::sumAvg: 4.49 atom: 191 22V-HA A 3.67 ambi=1 { CA:65.653 } atom: 231 26L-H N 7.945 ambi=1 { N:125.403 } ::sumAvg: 4.695 atom: 191 22V-HA A 3.67 ambi=1 { CA:65.653 } atom: 236 26L-HD1 D1 0.792 ambi=2 { CD1:21.273 } :: atom: 191 22V-HA A 3.67 ambi=1 { CA:65.653 } atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } ::sumAvg: 4.34 atom: 201 23W-HA A 3.622 ambi=1 { CA:60.464 } atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } :: atom: 201 23W-HA A 3.622 ambi=1 { CA:60.464 } atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } ::sumAvg: 3.335 atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } atom: 202 23W-HB2 B 3.244 ambi=2 { CB:29.076 } :: atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } atom: 203 23W-HB3 B 2.922 ambi=2 { CB:29.076 } :: atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } atom: 202 23W-HB2 B 3.244 ambi=2 { CB:29.076 } :: atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } atom: 203 23W-HB3 B 2.922 ambi=2 { CB:29.076 } ::sumAvg: 4.295 atom: 202 23W-HB2 B 3.244 ambi=2 { CB:29.076 } atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } :: atom: 203 23W-HB3 B 2.922 ambi=2 { CB:29.076 } atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } :: atom: 202 23W-HB2 B 3.244 ambi=2 { CB:29.076 } atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } :: atom: 203 23W-HB3 B 2.922 ambi=2 { CB:29.076 } atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } ::sumAvg: 4.295 atom: 204 23W-HD1 D1 7.467 ambi=1 { CD1:124.304 } atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } :: atom: 204 23W-HD1 D1 7.467 ambi=1 { CD1:124.304 } atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } ::sumAvg: 4.325 atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } atom: 211 24R-H N 7.922 ambi=1 { N:111.929 } :: atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } atom: 211 24R-H N 7.922 ambi=1 { N:111.929 } ::sumAvg: 4.62 atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } atom: 236 26L-HD1 D1 0.792 ambi=2 { CD1:21.273 } :: atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } :: atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } ::sumAvg: 4.35 atom: 236 26L-HD1 D1 0.792 ambi=2 { CD1:21.273 } atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } :: atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } :: atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } ::sumAvg: 4.35 atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } :: atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } ::sumAvg: 4.35 atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } :: atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } ::sumAvg: 4.35 atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } :: atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } :: atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } :: atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } ::sumAvg: 4.585 atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } :: atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } :: atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } :: atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } ::sumAvg: 4.585 atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } atom: 1151 144Q-HB2 B 1.826 ambi=2 { CB:28.805 } :: atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } atom: 1152 144Q-HB3 B 1.699 ambi=2 { CB:28.805 } :: atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } atom: 1151 144Q-HB2 B 1.826 ambi=2 { CB:28.805 } :: atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } atom: 1152 144Q-HB3 B 1.699 ambi=2 { CB:28.805 } ::sumAvg: 4.515 atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } atom: 1154 144Q-QG G 1.95 ambi=2 { CG:34.558 } :: atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } atom: 1154 144Q-QG G 1.95 ambi=2 { CG:34.558 } ::sumAvg: 3.495 atom: 1154 144Q-QG G 1.95 ambi=2 { CG:34.558 } atom: 193 22V-HG1 G1 1.217 ambi=2 { CG1:22.042 } :: atom: 1154 144Q-QG G 1.95 ambi=2 { CG:34.558 } atom: 194 22V-HG2 G2 0.846 ambi=2 { CG2:22.042 } ::sumAvg: 3.495 atom: 202 23W-HB2 B 3.244 ambi=2 { CB:29.076 } atom: 212 24R-HA A 3.988 ambi=1 { CA:52.767 } :: atom: 203 23W-HB3 B 2.922 ambi=2 { CB:29.076 } atom: 212 24R-HA A 3.988 ambi=1 { CA:52.767 } ::sumAvg: 4.615 atom: 212 24R-HA A 3.988 ambi=1 { CA:52.767 } atom: 202 23W-HB2 B 3.244 ambi=2 { CB:29.076 } :: atom: 212 24R-HA A 3.988 ambi=1 { CA:52.767 } atom: 203 23W-HB3 B 2.922 ambi=2 { CB:29.076 } ::sumAvg: 4.615 atom: 202 23W-HB2 B 3.244 ambi=2 { CB:29.076 } atom: 213 24R-HB2 B 1.388 ambi=2 { CB:29.243 } :: atom: 202 23W-HB2 B 3.244 ambi=2 { CB:29.076 } atom: 214 24R-HB3 B 0.791 ambi=2 { CB:29.243 } :: atom: 203 23W-HB3 B 2.922 ambi=2 { CB:29.076 } atom: 213 24R-HB2 B 1.388 ambi=2 { CB:29.243 } :: atom: 203 23W-HB3 B 2.922 ambi=2 { CB:29.076 } atom: 214 24R-HB3 B 0.791 ambi=2 { CB:29.243 } ::sumAvg: 4.465 atom: 213 24R-HB2 B 1.388 ambi=2 { CB:29.243 } atom: 202 23W-HB2 B 3.244 ambi=2 { CB:29.076 } :: atom: 214 24R-HB3 B 0.791 ambi=2 { CB:29.243 } atom: 202 23W-HB2 B 3.244 ambi=2 { CB:29.076 } :: atom: 213 24R-HB2 B 1.388 ambi=2 { CB:29.243 } atom: 203 23W-HB3 B 2.922 ambi=2 { CB:29.076 } :: atom: 214 24R-HB3 B 0.791 ambi=2 { CB:29.243 } atom: 203 23W-HB3 B 2.922 ambi=2 { CB:29.076 } ::sumAvg: 4.465 atom: 216 24R-QG G 0.9355 ambi=2 { CG:27.178 } atom: 202 23W-HB2 B 3.244 ambi=2 { CB:29.076 } :: atom: 216 24R-QG G 0.9355 ambi=2 { CG:27.178 } atom: 203 23W-HB3 B 2.922 ambi=2 { CB:29.076 } ::sumAvg: 4.425 atom: 204 23W-HD1 D1 7.467 ambi=1 { CD1:124.304 } atom: 213 24R-HB2 B 1.388 ambi=2 { CB:29.243 } :: atom: 204 23W-HD1 D1 7.467 ambi=1 { CD1:124.304 } atom: 214 24R-HB3 B 0.791 ambi=2 { CB:29.243 } ::sumAvg: 4.965 atom: 213 24R-HB2 B 1.388 ambi=2 { CB:29.243 } atom: 204 23W-HD1 D1 7.467 ambi=1 { CD1:124.304 } :: atom: 214 24R-HB3 B 0.791 ambi=2 { CB:29.243 } atom: 204 23W-HD1 D1 7.467 ambi=1 { CD1:124.304 } ::sumAvg: 4.965 atom: 212 24R-HA A 3.988 ambi=1 { CA:52.767 } atom: 225 25D-HA A 4.655 ambi=1 { CA:51.47 } ::sumAvg: 4.715 atom: 225 25D-HA A 4.655 ambi=1 { CA:51.47 } atom: 212 24R-HA A 3.988 ambi=1 { CA:52.767 } ::sumAvg: 4.715 atom: 212 24R-HA A 3.988 ambi=1 { CA:52.767 } atom: 226 25D-HB2 B 2.971 ambi=2 { CB:37.891 } :: atom: 212 24R-HA A 3.988 ambi=1 { CA:52.767 } atom: 227 25D-HB3 B 2.476 ambi=2 { CB:37.891 } ::sumAvg: 4.435 atom: 226 25D-HB2 B 2.971 ambi=2 { CB:37.891 } atom: 212 24R-HA A 3.988 ambi=1 { CA:52.767 } :: atom: 227 25D-HB3 B 2.476 ambi=2 { CB:37.891 } atom: 212 24R-HA A 3.988 ambi=1 { CA:52.767 } ::sumAvg: 4.435 atom: 213 24R-HB2 B 1.388 ambi=2 { CB:29.243 } atom: 226 25D-HB2 B 2.971 ambi=2 { CB:37.891 } :: atom: 213 24R-HB2 B 1.388 ambi=2 { CB:29.243 } atom: 227 25D-HB3 B 2.476 ambi=2 { CB:37.891 } :: atom: 214 24R-HB3 B 0.791 ambi=2 { CB:29.243 } atom: 226 25D-HB2 B 2.971 ambi=2 { CB:37.891 } :: atom: 214 24R-HB3 B 0.791 ambi=2 { CB:29.243 } atom: 227 25D-HB3 B 2.476 ambi=2 { CB:37.891 } ::sumAvg: 4.315 atom: 226 25D-HB2 B 2.971 ambi=2 { CB:37.891 } atom: 213 24R-HB2 B 1.388 ambi=2 { CB:29.243 } :: atom: 227 25D-HB3 B 2.476 ambi=2 { CB:37.891 } atom: 213 24R-HB2 B 1.388 ambi=2 { CB:29.243 } :: atom: 226 25D-HB2 B 2.971 ambi=2 { CB:37.891 } atom: 214 24R-HB3 B 0.791 ambi=2 { CB:29.243 } :: atom: 227 25D-HB3 B 2.476 ambi=2 { CB:37.891 } atom: 214 24R-HB3 B 0.791 ambi=2 { CB:29.243 } ::sumAvg: 4.315 atom: 216 24R-QG G 0.9355 ambi=2 { CG:27.178 } atom: 226 25D-HB2 B 2.971 ambi=2 { CB:37.891 } :: atom: 216 24R-QG G 0.9355 ambi=2 { CG:27.178 } atom: 227 25D-HB3 B 2.476 ambi=2 { CB:37.891 } ::sumAvg: 4.43 atom: 226 25D-HB2 B 2.971 ambi=2 { CB:37.891 } atom: 216 24R-QG G 0.9355 ambi=2 { CG:27.178 } :: atom: 227 25D-HB3 B 2.476 ambi=2 { CB:37.891 } atom: 216 24R-QG G 0.9355 ambi=2 { CG:27.178 } ::sumAvg: 4.43 atom: 232 26L-HA A 3.82 ambi=1 { CA:58.697 } atom: 224 25D-H N 6.74 ambi=1 { N:117.196 } ::sumAvg: 4.785 atom: 249 27P-HD2 D 3.639 ambi=2 { CD:50.212 } atom: 224 25D-H N 6.74 ambi=1 { N:117.196 } :: atom: 250 27P-HD3 D 3.481 ambi=2 { CD:50.212 } atom: 224 25D-H N 6.74 ambi=1 { N:117.196 } ::sumAvg: 4.245 atom: 225 25D-HA A 4.655 ambi=1 { CA:51.47 } atom: 232 26L-HA A 3.82 ambi=1 { CA:58.697 } ::sumAvg: 4.78 atom: 232 26L-HA A 3.82 ambi=1 { CA:58.697 } atom: 225 25D-HA A 4.655 ambi=1 { CA:51.47 } ::sumAvg: 4.78 atom: 225 25D-HA A 4.655 ambi=1 { CA:51.47 } atom: 233 26L-HB2 B 1.485 ambi=2 { CB:38.929 } :: atom: 225 25D-HA A 4.655 ambi=1 { CA:51.47 } atom: 234 26L-HB3 B 0.966 ambi=2 { CB:38.929 } ::sumAvg: 4.195 atom: 233 26L-HB2 B 1.485 ambi=2 { CB:38.929 } atom: 225 25D-HA A 4.655 ambi=1 { CA:51.47 } :: atom: 234 26L-HB3 B 0.966 ambi=2 { CB:38.929 } atom: 225 25D-HA A 4.655 ambi=1 { CA:51.47 } ::sumAvg: 4.195 atom: 225 25D-HA A 4.655 ambi=1 { CA:51.47 } atom: 235 26L-HG G 1.522 ambi=1 { CG:26.77 } ::sumAvg: 4.955 atom: 235 26L-HG G 1.522 ambi=1 { CG:26.77 } atom: 225 25D-HA A 4.655 ambi=1 { CA:51.47 } ::sumAvg: 4.955 atom: 225 25D-HA A 4.655 ambi=1 { CA:51.47 } atom: 236 26L-HD1 D1 0.792 ambi=2 { CD1:21.273 } :: atom: 225 25D-HA A 4.655 ambi=1 { CA:51.47 } atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } ::sumAvg: 4.16 atom: 236 26L-HD1 D1 0.792 ambi=2 { CD1:21.273 } atom: 225 25D-HA A 4.655 ambi=1 { CA:51.47 } :: atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } atom: 225 25D-HA A 4.655 ambi=1 { CA:51.47 } ::sumAvg: 4.16 atom: 226 25D-HB2 B 2.971 ambi=2 { CB:37.891 } atom: 233 26L-HB2 B 1.485 ambi=2 { CB:38.929 } :: atom: 226 25D-HB2 B 2.971 ambi=2 { CB:37.891 } atom: 234 26L-HB3 B 0.966 ambi=2 { CB:38.929 } :: atom: 227 25D-HB3 B 2.476 ambi=2 { CB:37.891 } atom: 233 26L-HB2 B 1.485 ambi=2 { CB:38.929 } :: atom: 227 25D-HB3 B 2.476 ambi=2 { CB:37.891 } atom: 234 26L-HB3 B 0.966 ambi=2 { CB:38.929 } ::sumAvg: 4.87 atom: 233 26L-HB2 B 1.485 ambi=2 { CB:38.929 } atom: 226 25D-HB2 B 2.971 ambi=2 { CB:37.891 } :: atom: 234 26L-HB3 B 0.966 ambi=2 { CB:38.929 } atom: 226 25D-HB2 B 2.971 ambi=2 { CB:37.891 } :: atom: 233 26L-HB2 B 1.485 ambi=2 { CB:38.929 } atom: 227 25D-HB3 B 2.476 ambi=2 { CB:37.891 } :: atom: 234 26L-HB3 B 0.966 ambi=2 { CB:38.929 } atom: 227 25D-HB3 B 2.476 ambi=2 { CB:37.891 } ::sumAvg: 4.87 atom: 226 25D-HB2 B 2.971 ambi=2 { CB:37.891 } atom: 249 27P-HD2 D 3.639 ambi=2 { CD:50.212 } :: atom: 226 25D-HB2 B 2.971 ambi=2 { CB:37.891 } atom: 250 27P-HD3 D 3.481 ambi=2 { CD:50.212 } :: atom: 227 25D-HB3 B 2.476 ambi=2 { CB:37.891 } atom: 249 27P-HD2 D 3.639 ambi=2 { CD:50.212 } :: atom: 227 25D-HB3 B 2.476 ambi=2 { CB:37.891 } atom: 250 27P-HD3 D 3.481 ambi=2 { CD:50.212 } ::sumAvg: 4.78 atom: 232 26L-HA A 3.82 ambi=1 { CA:58.697 } atom: 244 27P-HA A 4.584 ambi=1 { CA:62.453 } ::sumAvg: 4.56 atom: 244 27P-HA A 4.584 ambi=1 { CA:62.453 } atom: 232 26L-HA A 3.82 ambi=1 { CA:58.697 } ::sumAvg: 4.56 atom: 232 26L-HA A 3.82 ambi=1 { CA:58.697 } atom: 248 27P-QG G 1.9255 ambi=2 { CG:27.14 } ::sumAvg: 4.095 atom: 248 27P-QG G 1.9255 ambi=2 { CG:27.14 } atom: 232 26L-HA A 3.82 ambi=1 { CA:58.697 } ::sumAvg: 4.095 atom: 232 26L-HA A 3.82 ambi=1 { CA:58.697 } atom: 255 28G-H N 8.344 ambi=1 { N:106.65 } ::sumAvg: 4.795 atom: 233 26L-HB2 B 1.485 ambi=2 { CB:38.929 } atom: 248 27P-QG G 1.9255 ambi=2 { CG:27.14 } :: atom: 234 26L-HB3 B 0.966 ambi=2 { CB:38.929 } atom: 248 27P-QG G 1.9255 ambi=2 { CG:27.14 } ::sumAvg: 4.86 atom: 235 26L-HG G 1.522 ambi=1 { CG:26.77 } atom: 249 27P-HD2 D 3.639 ambi=2 { CD:50.212 } :: atom: 235 26L-HG G 1.522 ambi=1 { CG:26.77 } atom: 250 27P-HD3 D 3.481 ambi=2 { CD:50.212 } ::sumAvg: 4.26 atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } atom: 236 26L-HD1 D1 0.792 ambi=2 { CD1:21.273 } ::sumAvg: 1.8 atom: 236 26L-HD1 D1 0.792 ambi=2 { CD1:21.273 } atom: 248 27P-QG G 1.9255 ambi=2 { CG:27.14 } :: atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } atom: 248 27P-QG G 1.9255 ambi=2 { CG:27.14 } ::sumAvg: 4.39 atom: 248 27P-QG G 1.9255 ambi=2 { CG:27.14 } atom: 236 26L-HD1 D1 0.792 ambi=2 { CD1:21.273 } :: atom: 248 27P-QG G 1.9255 ambi=2 { CG:27.14 } atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } ::sumAvg: 4.39 atom: 249 27P-HD2 D 3.639 ambi=2 { CD:50.212 } atom: 236 26L-HD1 D1 0.792 ambi=2 { CD1:21.273 } :: atom: 250 27P-HD3 D 3.481 ambi=2 { CD:50.212 } atom: 236 26L-HD1 D1 0.792 ambi=2 { CD1:21.273 } :: atom: 249 27P-HD2 D 3.639 ambi=2 { CD:50.212 } atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } :: atom: 250 27P-HD3 D 3.481 ambi=2 { CD:50.212 } atom: 237 26L-HD2 D2 0.317 ambi=2 { CD2:25.428 } ::sumAvg: 3.08 atom: 244 27P-HA A 4.584 ambi=1 { CA:62.453 } atom: 256 28G-HA2 A 4.049 ambi=2 { CA:44.205 } :: atom: 244 27P-HA A 4.584 ambi=1 { CA:62.453 } atom: 257 28G-HA3 A 3.553 ambi=2 { CA:44.205 } ::sumAvg: 4.53 atom: 256 28G-HA2 A 4.049 ambi=2 { CA:44.205 } atom: 244 27P-HA A 4.584 ambi=1 { CA:62.453 } :: atom: 257 28G-HA3 A 3.553 ambi=2 { CA:44.205 } atom: 244 27P-HA A 4.584 ambi=1 { CA:62.453 } ::sumAvg: 4.53 atom: 245 27P-HB2 B 2.456 ambi=2 { CB:31.946 } atom: 256 28G-HA2 A 4.049 ambi=2 { CA:44.205 } :: atom: 245 27P-HB2 B 2.456 ambi=2 { CB:31.946 } atom: 257 28G-HA3 A 3.553 ambi=2 { CA:44.205 } :: atom: 246 27P-HB3 B 2.016 ambi=2 { CB:31.946 } atom: 256 28G-HA2 A 4.049 ambi=2 { CA:44.205 } :: atom: 246 27P-HB3 B 2.016 ambi=2 { CB:31.946 } atom: 257 28G-HA3 A 3.553 ambi=2 { CA:44.205 } ::sumAvg: 4.54 atom: 256 28G-HA2 A 4.049 ambi=2 { CA:44.205 } atom: 245 27P-HB2 B 2.456 ambi=2 { CB:31.946 } :: atom: 257 28G-HA3 A 3.553 ambi=2 { CA:44.205 } atom: 245 27P-HB2 B 2.456 ambi=2 { CB:31.946 } :: atom: 256 28G-HA2 A 4.049 ambi=2 { CA:44.205 } atom: 246 27P-HB3 B 2.016 ambi=2 { CB:31.946 } :: atom: 257 28G-HA3 A 3.553 ambi=2 { CA:44.205 } atom: 246 27P-HB3 B 2.016 ambi=2 { CB:31.946 } ::sumAvg: 4.54 atom: 245 27P-HB2 B 2.456 ambi=2 { CB:31.946 } atom: 260 29L-H N 8 ambi=1 { N:124.915 } :: atom: 246 27P-HB3 B 2.016 ambi=2 { CB:31.946 } atom: 260 29L-H N 8 ambi=1 { N:124.915 } ::sumAvg: 4.445 atom: 256 28G-HA2 A 4.049 ambi=2 { CA:44.205 } atom: 262 29L-HB2 B 1.399 ambi=2 { CB:39.708 } :: atom: 256 28G-HA2 A 4.049 ambi=2 { CA:44.205 } atom: 263 29L-HB3 B 0.7 ambi=2 { CB:39.708 } :: atom: 257 28G-HA3 A 3.553 ambi=2 { CA:44.205 } atom: 262 29L-HB2 B 1.399 ambi=2 { CB:39.708 } :: atom: 257 28G-HA3 A 3.553 ambi=2 { CA:44.205 } atom: 263 29L-HB3 B 0.7 ambi=2 { CB:39.708 } ::sumAvg: 4.69 atom: 262 29L-HB2 B 1.399 ambi=2 { CB:39.708 } atom: 256 28G-HA2 A 4.049 ambi=2 { CA:44.205 } :: atom: 263 29L-HB3 B 0.7 ambi=2 { CB:39.708 } atom: 256 28G-HA2 A 4.049 ambi=2 { CA:44.205 } :: atom: 262 29L-HB2 B 1.399 ambi=2 { CB:39.708 } atom: 257 28G-HA3 A 3.553 ambi=2 { CA:44.205 } :: atom: 263 29L-HB3 B 0.7 ambi=2 { CB:39.708 } atom: 257 28G-HA3 A 3.553 ambi=2 { CA:44.205 } ::sumAvg: 4.69 atom: 256 28G-HA2 A 4.049 ambi=2 { CA:44.205 } atom: 265 29L-HD1 D1 0.456 ambi=2 { CD1:23.224 } :: atom: 256 28G-HA2 A 4.049 ambi=2 { CA:44.205 } atom: 266 29L-HD2 D2 0.325 ambi=2 { CD2:25.634 } :: atom: 257 28G-HA3 A 3.553 ambi=2 { CA:44.205 } atom: 265 29L-HD1 D1 0.456 ambi=2 { CD1:23.224 } :: atom: 257 28G-HA3 A 3.553 ambi=2 { CA:44.205 } atom: 266 29L-HD2 D2 0.325 ambi=2 { CD2:25.634 } ::sumAvg: 4.94 atom: 265 29L-HD1 D1 0.456 ambi=2 { CD1:23.224 } atom: 256 28G-HA2 A 4.049 ambi=2 { CA:44.205 } :: atom: 266 29L-HD2 D2 0.325 ambi=2 { CD2:25.634 } atom: 256 28G-HA2 A 4.049 ambi=2 { CA:44.205 } :: atom: 265 29L-HD1 D1 0.456 ambi=2 { CD1:23.224 } atom: 257 28G-HA3 A 3.553 ambi=2 { CA:44.205 } :: atom: 266 29L-HD2 D2 0.325 ambi=2 { CD2:25.634 } atom: 257 28G-HA3 A 3.553 ambi=2 { CA:44.205 } ::sumAvg: 4.94 atom: 273 30P-HA A 4.251 ambi=1 { CA:64.962 } atom: 260 29L-H N 8 ambi=1 { N:124.915 } ::sumAvg: 4.995 atom: 261 29L-HA A 3.755 ambi=1 { CA:58.648 } atom: 273 30P-HA A 4.251 ambi=1 { CA:64.962 } ::sumAvg: 4.565 atom: 273 30P-HA A 4.251 ambi=1 { CA:64.962 } atom: 261 29L-HA A 3.755 ambi=1 { CA:58.648 } ::sumAvg: 4.565 atom: 261 29L-HA A 3.755 ambi=1 { CA:58.648 } atom: 275 30P-QB B 1.894 ambi=2 { CB:30.54 } ::sumAvg: 4.8 atom: 275 30P-QB B 1.894 ambi=2 { CB:30.54 } atom: 261 29L-HA A 3.755 ambi=1 { CA:58.648 } ::sumAvg: 4.8 atom: 261 29L-HA A 3.755 ambi=1 { CA:58.648 } atom: 278 31L-H N 7.438 ambi=1 { N:112.987 } ::sumAvg: 4.65 atom: 261 29L-HA A 3.755 ambi=1 { CA:58.648 } atom: 291 32L-H N 7.536 ambi=1 { N:119.514 } ::sumAvg: 4.875 atom: 262 29L-HB2 B 1.399 ambi=2 { CB:39.708 } atom: 278 31L-H N 7.438 ambi=1 { N:112.987 } :: atom: 263 29L-HB3 B 0.7 ambi=2 { CB:39.708 } atom: 278 31L-H N 7.438 ambi=1 { N:112.987 } ::sumAvg: 4.515 atom: 262 29L-HB2 B 1.399 ambi=2 { CB:39.708 } atom: 291 32L-H N 7.536 ambi=1 { N:119.514 } :: atom: 263 29L-HB3 B 0.7 ambi=2 { CB:39.708 } atom: 291 32L-H N 7.536 ambi=1 { N:119.514 } ::sumAvg: 3.945 atom: 262 29L-HB2 B 1.399 ambi=2 { CB:39.708 } atom: 296 32L-HD1 D1 -0.085 ambi=2 { CD1:22.788 } :: atom: 262 29L-HB2 B 1.399 ambi=2 { CB:39.708 } atom: 297 32L-HD2 D2 -0.68 ambi=2 { CD2:23.666 } :: atom: 263 29L-HB3 B 0.7 ambi=2 { CB:39.708 } atom: 296 32L-HD1 D1 -0.085 ambi=2 { CD1:22.788 } :: atom: 263 29L-HB3 B 0.7 ambi=2 { CB:39.708 } atom: 297 32L-HD2 D2 -0.68 ambi=2 { CD2:23.666 } ::sumAvg: 4.435 atom: 265 29L-HD1 D1 0.456 ambi=2 { CD1:23.224 } atom: 278 31L-H N 7.438 ambi=1 { N:112.987 } :: atom: 266 29L-HD2 D2 0.325 ambi=2 { CD2:25.634 } atom: 278 31L-H N 7.438 ambi=1 { N:112.987 } ::sumAvg: 4.75 atom: 281 31L-QB B 1.413 ambi=2 { CB:40.486 } atom: 265 29L-HD1 D1 0.456 ambi=2 { CD1:23.224 } :: atom: 281 31L-QB B 1.413 ambi=2 { CB:40.486 } atom: 266 29L-HD2 D2 0.325 ambi=2 { CD2:25.634 } ::sumAvg: 4.32 atom: 266 29L-HD2 D2 0.325 ambi=2 { CD2:25.634 } atom: 283 31L-HD1 D1 0.762 ambi=2 { CD1:24.936 } ::sumAvg: 4.595 atom: 283 31L-HD1 D1 0.762 ambi=2 { CD1:24.936 } atom: 266 29L-HD2 D2 0.325 ambi=2 { CD2:25.634 } ::sumAvg: 4.595 atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } atom: 265 29L-HD1 D1 0.456 ambi=2 { CD1:23.224 } :: atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } atom: 266 29L-HD2 D2 0.325 ambi=2 { CD2:25.634 } ::sumAvg: 3.65 atom: 273 30P-HA A 4.251 ambi=1 { CA:64.962 } atom: 281 31L-QB B 1.413 ambi=2 { CB:40.486 } ::sumAvg: 4.68 atom: 281 31L-QB B 1.413 ambi=2 { CB:40.486 } atom: 273 30P-HA A 4.251 ambi=1 { CA:64.962 } ::sumAvg: 4.68 atom: 273 30P-HA A 4.251 ambi=1 { CA:64.962 } atom: 291 32L-H N 7.536 ambi=1 { N:119.514 } ::sumAvg: 4.485 atom: 275 30P-QB B 1.894 ambi=2 { CB:30.54 } atom: 279 31L-HA A 4.047 ambi=1 { CA:55.448 } ::sumAvg: 4.79 atom: 279 31L-HA A 4.047 ambi=1 { CA:55.448 } atom: 275 30P-QB B 1.894 ambi=2 { CB:30.54 } ::sumAvg: 4.79 atom: 275 30P-QB B 1.894 ambi=2 { CB:30.54 } atom: 281 31L-QB B 1.413 ambi=2 { CB:40.486 } ::sumAvg: 4.33 atom: 281 31L-QB B 1.413 ambi=2 { CB:40.486 } atom: 275 30P-QB B 1.894 ambi=2 { CB:30.54 } ::sumAvg: 4.33 atom: 275 30P-QB B 1.894 ambi=2 { CB:30.54 } atom: 283 31L-HD1 D1 0.762 ambi=2 { CD1:24.936 } :: atom: 275 30P-QB B 1.894 ambi=2 { CB:30.54 } atom: 284 31L-HD2 D2 0.707 ambi=2 { CD2:22.349 } ::sumAvg: 4.49 atom: 275 30P-QB B 1.894 ambi=2 { CB:30.54 } atom: 291 32L-H N 7.536 ambi=1 { N:119.514 } ::sumAvg: 4.58 atom: 275 30P-QB B 1.894 ambi=2 { CB:30.54 } atom: 296 32L-HD1 D1 -0.085 ambi=2 { CD1:22.788 } :: atom: 275 30P-QB B 1.894 ambi=2 { CB:30.54 } atom: 297 32L-HD2 D2 -0.68 ambi=2 { CD2:23.666 } ::sumAvg: 4.81 atom: 296 32L-HD1 D1 -0.085 ambi=2 { CD1:22.788 } atom: 275 30P-QB B 1.894 ambi=2 { CB:30.54 } :: atom: 297 32L-HD2 D2 -0.68 ambi=2 { CD2:23.666 } atom: 275 30P-QB B 1.894 ambi=2 { CB:30.54 } ::sumAvg: 4.81 atom: 293 32L-HB2 B 1.145 ambi=2 { CB:43.487 } atom: 278 31L-H N 7.438 ambi=1 { N:112.987 } :: atom: 294 32L-HB3 B 0.663 ambi=2 { CB:43.487 } atom: 278 31L-H N 7.438 ambi=1 { N:112.987 } ::sumAvg: 4.845 atom: 293 32L-HB2 B 1.145 ambi=2 { CB:43.487 } atom: 279 31L-HA A 4.047 ambi=1 { CA:55.448 } :: atom: 294 32L-HB3 B 0.663 ambi=2 { CB:43.487 } atom: 279 31L-HA A 4.047 ambi=1 { CA:55.448 } ::sumAvg: 4.77 atom: 279 31L-HA A 4.047 ambi=1 { CA:55.448 } atom: 296 32L-HD1 D1 -0.085 ambi=2 { CD1:22.788 } :: atom: 279 31L-HA A 4.047 ambi=1 { CA:55.448 } atom: 297 32L-HD2 D2 -0.68 ambi=2 { CD2:23.666 } ::sumAvg: 4.51 atom: 296 32L-HD1 D1 -0.085 ambi=2 { CD1:22.788 } atom: 279 31L-HA A 4.047 ambi=1 { CA:55.448 } :: atom: 297 32L-HD2 D2 -0.68 ambi=2 { CD2:23.666 } atom: 279 31L-HA A 4.047 ambi=1 { CA:55.448 } ::sumAvg: 4.51 atom: 281 31L-QB B 1.413 ambi=2 { CB:40.486 } atom: 292 32L-HA A 4.103 ambi=1 { CA:55.448 } ::sumAvg: 4.585 atom: 292 32L-HA A 4.103 ambi=1 { CA:55.448 } atom: 281 31L-QB B 1.413 ambi=2 { CB:40.486 } ::sumAvg: 4.585 atom: 294 32L-HB3 B 0.663 ambi=2 { CB:43.487 } atom: 281 31L-QB B 1.413 ambi=2 { CB:40.486 } ::sumAvg: 4.635 atom: 281 31L-QB B 1.413 ambi=2 { CB:40.486 } atom: 296 32L-HD1 D1 -0.085 ambi=2 { CD1:22.788 } :: atom: 281 31L-QB B 1.413 ambi=2 { CB:40.486 } atom: 297 32L-HD2 D2 -0.68 ambi=2 { CD2:23.666 } ::sumAvg: 4.14 atom: 296 32L-HD1 D1 -0.085 ambi=2 { CD1:22.788 } atom: 281 31L-QB B 1.413 ambi=2 { CB:40.486 } :: atom: 297 32L-HD2 D2 -0.68 ambi=2 { CD2:23.666 } atom: 281 31L-QB B 1.413 ambi=2 { CB:40.486 } ::sumAvg: 4.14 atom: 281 31L-QB B 1.413 ambi=2 { CB:40.486 } atom: 304 33M-H N 7.605 ambi=1 { N:117.077 } ::sumAvg: 4.325 atom: 307 37R-HA A 4.35 ambi=1 { CA:56.79 } atom: 314 38S-HB2 B 3.665 ambi=2 { CB:64.875 } :: atom: 307 37R-HA A 4.35 ambi=1 { CA:56.79 } atom: 315 38S-HB3 B 3.604 ambi=2 { CB:64.875 } ::sumAvg: 4.875 atom: 314 38S-HB2 B 3.665 ambi=2 { CB:64.875 } atom: 307 37R-HA A 4.35 ambi=1 { CA:56.79 } :: atom: 315 38S-HB3 B 3.604 ambi=2 { CB:64.875 } atom: 307 37R-HA A 4.35 ambi=1 { CA:56.79 } ::sumAvg: 4.875 atom: 308 37R-HB2 B 1.543 ambi=2 { CB:31.145 } atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } :: atom: 309 37R-HB3 B 1.51 ambi=2 { CB:31.145 } atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } ::sumAvg: 4.715 atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } atom: 308 37R-HB2 B 1.543 ambi=2 { CB:31.145 } :: atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } atom: 309 37R-HB3 B 1.51 ambi=2 { CB:31.145 } ::sumAvg: 4.715 atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } atom: 312 38S-H N 7.395 ambi=1 { N:107.358 } ::sumAvg: 3.745 atom: 313 38S-HA A 4.447 ambi=1 { CA:57.264 } atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } ::sumAvg: 3.95 atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } atom: 313 38S-HA A 4.447 ambi=1 { CA:57.264 } ::sumAvg: 3.95 atom: 314 38S-HB2 B 3.665 ambi=2 { CB:64.875 } atom: 320 39V-HA A 4.169 ambi=1 { CA:62.28 } :: atom: 315 38S-HB3 B 3.604 ambi=2 { CB:64.875 } atom: 320 39V-HA A 4.169 ambi=1 { CA:62.28 } ::sumAvg: 4.61 atom: 320 39V-HA A 4.169 ambi=1 { CA:62.28 } atom: 314 38S-HB2 B 3.665 ambi=2 { CB:64.875 } :: atom: 320 39V-HA A 4.169 ambi=1 { CA:62.28 } atom: 315 38S-HB3 B 3.604 ambi=2 { CB:64.875 } ::sumAvg: 4.61 atom: 314 38S-HB2 B 3.665 ambi=2 { CB:64.875 } atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } :: atom: 315 38S-HB3 B 3.604 ambi=2 { CB:64.875 } atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } ::sumAvg: 3.88 atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } atom: 314 38S-HB2 B 3.665 ambi=2 { CB:64.875 } :: atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } atom: 315 38S-HB3 B 3.604 ambi=2 { CB:64.875 } ::sumAvg: 3.88 atom: 333 40E-HG2 G 2.086 ambi=2 { CG:35.076 } atom: 319 39V-H N 8.415 ambi=1 { N:121.496 } :: atom: 334 40E-HG3 G 2.064 ambi=2 { CG:35.076 } atom: 319 39V-H N 8.415 ambi=1 { N:121.496 } ::sumAvg: 4.725 atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } atom: 330 40E-HA A 4.517 ambi=1 { CA:53.113 } ::sumAvg: 3.96 atom: 330 40E-HA A 4.517 ambi=1 { CA:53.113 } atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } ::sumAvg: 3.96 atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } atom: 331 40E-HB2 B 1.927 ambi=2 { CB:32.702 } :: atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } atom: 332 40E-HB3 B 1.739 ambi=2 { CB:32.702 } ::sumAvg: 3.915 atom: 331 40E-HB2 B 1.927 ambi=2 { CB:32.702 } atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } :: atom: 332 40E-HB3 B 1.739 ambi=2 { CB:32.702 } atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } ::sumAvg: 3.915 atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } atom: 333 40E-HG2 G 2.086 ambi=2 { CG:35.076 } :: atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } atom: 334 40E-HG3 G 2.064 ambi=2 { CG:35.076 } ::sumAvg: 4.335 atom: 333 40E-HG2 G 2.086 ambi=2 { CG:35.076 } atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } :: atom: 334 40E-HG3 G 2.064 ambi=2 { CG:35.076 } atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } ::sumAvg: 4.335 atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } atom: 339 41V-H N 9.012 ambi=1 { N:126.387 } ::sumAvg: 3.725 atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } atom: 341 41V-HB B 1.993 ambi=1 { CB:31.974 } ::sumAvg: 4.875 atom: 341 41V-HB B 1.993 ambi=1 { CB:31.974 } atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } ::sumAvg: 4.875 atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } atom: 342 41V-HG1 G1 0.986 ambi=2 { CG1:21.313 } :: atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } atom: 343 41V-HG2 G2 0.97 ambi=2 { CG2:21.282 } ::sumAvg: 4.045 atom: 342 41V-HG1 G1 0.986 ambi=2 { CG1:21.313 } atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } :: atom: 343 41V-HG2 G2 0.97 ambi=2 { CG2:21.282 } atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } ::sumAvg: 4.045 atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } atom: 354 42L-QD D 0.7235 ambi=2 { QCD:20.6195 } ::sumAvg: 4.88 atom: 354 42L-QD D 0.7235 ambi=2 { QCD:20.6195 } atom: 322 39V-QG G -0.365 ambi=2 { QCG:21.056 } ::sumAvg: 4.88 atom: 330 40E-HA A 4.517 ambi=1 { CA:53.113 } atom: 340 41V-HA A 3.631 ambi=1 { CA:64.529 } ::sumAvg: 4.365 atom: 340 41V-HA A 3.631 ambi=1 { CA:64.529 } atom: 330 40E-HA A 4.517 ambi=1 { CA:53.113 } ::sumAvg: 4.365 atom: 330 40E-HA A 4.517 ambi=1 { CA:53.113 } atom: 342 41V-HG1 G1 0.986 ambi=2 { CG1:21.313 } :: atom: 330 40E-HA A 4.517 ambi=1 { CA:53.113 } atom: 343 41V-HG2 G2 0.97 ambi=2 { CG2:21.282 } ::sumAvg: 3.885 atom: 342 41V-HG1 G1 0.986 ambi=2 { CG1:21.313 } atom: 330 40E-HA A 4.517 ambi=1 { CA:53.113 } :: atom: 343 41V-HG2 G2 0.97 ambi=2 { CG2:21.282 } atom: 330 40E-HA A 4.517 ambi=1 { CA:53.113 } ::sumAvg: 3.885 atom: 331 40E-HB2 B 1.927 ambi=2 { CB:32.702 } atom: 340 41V-HA A 3.631 ambi=1 { CA:64.529 } :: atom: 332 40E-HB3 B 1.739 ambi=2 { CB:32.702 } atom: 340 41V-HA A 3.631 ambi=1 { CA:64.529 } ::sumAvg: 4.525 atom: 340 41V-HA A 3.631 ambi=1 { CA:64.529 } atom: 331 40E-HB2 B 1.927 ambi=2 { CB:32.702 } :: atom: 340 41V-HA A 3.631 ambi=1 { CA:64.529 } atom: 332 40E-HB3 B 1.739 ambi=2 { CB:32.702 } ::sumAvg: 4.525 atom: 342 41V-HG1 G1 0.986 ambi=2 { CG1:21.313 } atom: 331 40E-HB2 B 1.927 ambi=2 { CB:32.702 } :: atom: 343 41V-HG2 G2 0.97 ambi=2 { CG2:21.282 } atom: 331 40E-HB2 B 1.927 ambi=2 { CB:32.702 } :: atom: 342 41V-HG1 G1 0.986 ambi=2 { CG1:21.313 } atom: 332 40E-HB3 B 1.739 ambi=2 { CB:32.702 } :: atom: 343 41V-HG2 G2 0.97 ambi=2 { CG2:21.282 } atom: 332 40E-HB3 B 1.739 ambi=2 { CB:32.702 } ::sumAvg: 4.015 atom: 350 42L-HA A 4.488 ambi=1 { CA:55.794 } atom: 340 41V-HA A 3.631 ambi=1 { CA:64.529 } ::sumAvg: 4.445 atom: 340 41V-HA A 3.631 ambi=1 { CA:64.529 } atom: 351 42L-HB2 B 1.497 ambi=2 { CB:42.129 } :: atom: 340 41V-HA A 3.631 ambi=1 { CA:64.529 } atom: 352 42L-HB3 B 1.455 ambi=2 { CB:42.129 } ::sumAvg: 4.89 atom: 351 42L-HB2 B 1.497 ambi=2 { CB:42.129 } atom: 340 41V-HA A 3.631 ambi=1 { CA:64.529 } :: atom: 352 42L-HB3 B 1.455 ambi=2 { CB:42.129 } atom: 340 41V-HA A 3.631 ambi=1 { CA:64.529 } ::sumAvg: 4.89 atom: 340 41V-HA A 3.631 ambi=1 { CA:64.529 } atom: 354 42L-QD D 0.7235 ambi=2 { QCD:20.6195 } ::sumAvg: 4.685 atom: 354 42L-QD D 0.7235 ambi=2 { QCD:20.6195 } atom: 340 41V-HA A 3.631 ambi=1 { CA:64.529 } ::sumAvg: 4.685 atom: 340 41V-HA A 3.631 ambi=1 { CA:64.529 } atom: 362 43D-H N 8.362 ambi=1 { N:117.113 } ::sumAvg: 4.755 atom: 341 41V-HB B 1.993 ambi=1 { CB:31.974 } atom: 406 47S-HA A 5.173 ambi=1 { CA:56.399 } ::sumAvg: 4.995 atom: 406 47S-HA A 5.173 ambi=1 { CA:56.399 } atom: 341 41V-HB B 1.993 ambi=1 { CB:31.974 } ::sumAvg: 4.995 atom: 350 42L-HA A 4.488 ambi=1 { CA:55.794 } atom: 342 41V-HG1 G1 0.986 ambi=2 { CG1:21.313 } :: atom: 350 42L-HA A 4.488 ambi=1 { CA:55.794 } atom: 343 41V-HG2 G2 0.97 ambi=2 { CG2:21.282 } ::sumAvg: 3.865 atom: 351 42L-HB2 B 1.497 ambi=2 { CB:42.129 } atom: 342 41V-HG1 G1 0.986 ambi=2 { CG1:21.313 } :: atom: 352 42L-HB3 B 1.455 ambi=2 { CB:42.129 } atom: 342 41V-HG1 G1 0.986 ambi=2 { CG1:21.313 } :: atom: 351 42L-HB2 B 1.497 ambi=2 { CB:42.129 } atom: 343 41V-HG2 G2 0.97 ambi=2 { CG2:21.282 } :: atom: 352 42L-HB3 B 1.455 ambi=2 { CB:42.129 } atom: 343 41V-HG2 G2 0.97 ambi=2 { CG2:21.282 } ::sumAvg: 3.51 atom: 342 41V-HG1 G1 0.986 ambi=2 { CG1:21.313 } atom: 363 43D-HA A 4.502 ambi=1 { CA:53.545 } :: atom: 343 41V-HG2 G2 0.97 ambi=2 { CG2:21.282 } atom: 363 43D-HA A 4.502 ambi=1 { CA:53.545 } ::sumAvg: 4.765 atom: 363 43D-HA A 4.502 ambi=1 { CA:53.545 } atom: 342 41V-HG1 G1 0.986 ambi=2 { CG1:21.313 } :: atom: 363 43D-HA A 4.502 ambi=1 { CA:53.545 } atom: 343 41V-HG2 G2 0.97 ambi=2 { CG2:21.282 } ::sumAvg: 4.765 atom: 342 41V-HG1 G1 0.986 ambi=2 { CG1:21.313 } atom: 364 43D-HB2 B 3.125 ambi=2 { CB:39.88 } :: atom: 342 41V-HG1 G1 0.986 ambi=2 { CG1:21.313 } atom: 365 43D-HB3 B 3.114 ambi=2 { CB:39.88 } :: atom: 343 41V-HG2 G2 0.97 ambi=2 { CG2:21.282 } atom: 364 43D-HB2 B 3.125 ambi=2 { CB:39.88 } :: atom: 343 41V-HG2 G2 0.97 ambi=2 { CG2:21.282 } atom: 365 43D-HB3 B 3.114 ambi=2 { CB:39.88 } ::sumAvg: 4.78 atom: 364 43D-HB2 B 3.125 ambi=2 { CB:39.88 } atom: 342 41V-HG1 G1 0.986 ambi=2 { CG1:21.313 } :: atom: 365 43D-HB3 B 3.114 ambi=2 { CB:39.88 } atom: 342 41V-HG1 G1 0.986 ambi=2 { CG1:21.313 } :: atom: 364 43D-HB2 B 3.125 ambi=2 { CB:39.88 } atom: 343 41V-HG2 G2 0.97 ambi=2 { CG2:21.282 } :: atom: 365 43D-HB3 B 3.114 ambi=2 { CB:39.88 } atom: 343 41V-HG2 G2 0.97 ambi=2 { CG2:21.282 } ::sumAvg: 4.78 atom: 342 41V-HG1 G1 0.986 ambi=2 { CG1:21.313 } atom: 369 44D-H N 8.427 ambi=1 { N:112.996 } :: atom: 343 41V-HG2 G2 0.97 ambi=2 { CG2:21.282 } atom: 369 44D-H N 8.427 ambi=1 { N:112.996 } ::sumAvg: 4.745 atom: 342 41V-HG1 G1 0.986 ambi=2 { CG1:21.313 } atom: 393 46R-HA A 5.697 ambi=1 { CA:55.794 } :: atom: 343 41V-HG2 G2 0.97 ambi=2 { CG2:21.282 } atom: 393 46R-HA A 5.697 ambi=1 { CA:55.794 } ::sumAvg: 4.835 atom: 393 46R-HA A 5.697 ambi=1 { CA:55.794 } atom: 342 41V-HG1 G1 0.986 ambi=2 { CG1:21.313 } :: atom: 393 46R-HA A 5.697 ambi=1 { CA:55.794 } atom: 343 41V-HG2 G2 0.97 ambi=2 { CG2:21.282 } ::sumAvg: 4.835 atom: 406 47S-HA A 5.173 ambi=1 { CA:56.399 } atom: 342 41V-HG1 G1 0.986 ambi=2 { CG1:21.313 } :: atom: 406 47S-HA A 5.173 ambi=1 { CA:56.399 } atom: 343 41V-HG2 G2 0.97 ambi=2 { CG2:21.282 } ::sumAvg: 3.495 atom: 342 41V-HG1 G1 0.986 ambi=2 { CG1:21.313 } atom: 412 48R-H N 9.609 ambi=1 { N:120.458 } :: atom: 343 41V-HG2 G2 0.97 ambi=2 { CG2:21.282 } atom: 412 48R-H N 9.609 ambi=1 { N:120.458 } ::sumAvg: 3.94 atom: 364 43D-HB2 B 3.125 ambi=2 { CB:39.88 } atom: 349 42L-H N 8.785 ambi=1 { N:129.06 } :: atom: 365 43D-HB3 B 3.114 ambi=2 { CB:39.88 } atom: 349 42L-H N 8.785 ambi=1 { N:129.06 } ::sumAvg: 4.935 atom: 363 43D-HA A 4.502 ambi=1 { CA:53.545 } atom: 351 42L-HB2 B 1.497 ambi=2 { CB:42.129 } :: atom: 363 43D-HA A 4.502 ambi=1 { CA:53.545 } atom: 352 42L-HB3 B 1.455 ambi=2 { CB:42.129 } ::sumAvg: 4.605 atom: 351 42L-HB2 B 1.497 ambi=2 { CB:42.129 } atom: 364 43D-HB2 B 3.125 ambi=2 { CB:39.88 } :: atom: 351 42L-HB2 B 1.497 ambi=2 { CB:42.129 } atom: 365 43D-HB3 B 3.114 ambi=2 { CB:39.88 } :: atom: 352 42L-HB3 B 1.455 ambi=2 { CB:42.129 } atom: 364 43D-HB2 B 3.125 ambi=2 { CB:39.88 } :: atom: 352 42L-HB3 B 1.455 ambi=2 { CB:42.129 } atom: 365 43D-HB3 B 3.114 ambi=2 { CB:39.88 } ::sumAvg: 4.55 atom: 351 42L-HB2 B 1.497 ambi=2 { CB:42.129 } atom: 369 44D-H N 8.427 ambi=1 { N:112.996 } :: atom: 352 42L-HB3 B 1.455 ambi=2 { CB:42.129 } atom: 369 44D-H N 8.427 ambi=1 { N:112.996 } ::sumAvg: 4.745 atom: 364 43D-HB2 B 3.125 ambi=2 { CB:39.88 } atom: 353 42L-HG G 1.54 ambi=1 { CG:26.77 } :: atom: 365 43D-HB3 B 3.114 ambi=2 { CB:39.88 } atom: 353 42L-HG G 1.54 ambi=1 { CG:26.77 } ::sumAvg: 4.765 atom: 363 43D-HA A 4.502 ambi=1 { CA:53.545 } atom: 354 42L-QD D 0.7235 ambi=2 { QCD:20.6195 } ::sumAvg: 4.32 atom: 354 42L-QD D 0.7235 ambi=2 { QCD:20.6195 } atom: 364 43D-HB2 B 3.125 ambi=2 { CB:39.88 } :: atom: 354 42L-QD D 0.7235 ambi=2 { QCD:20.6195 } atom: 365 43D-HB3 B 3.114 ambi=2 { CB:39.88 } ::sumAvg: 3.965 atom: 364 43D-HB2 B 3.125 ambi=2 { CB:39.88 } atom: 354 42L-QD D 0.7235 ambi=2 { QCD:20.6195 } :: atom: 365 43D-HB3 B 3.114 ambi=2 { CB:39.88 } atom: 354 42L-QD D 0.7235 ambi=2 { QCD:20.6195 } ::sumAvg: 3.965 atom: 354 42L-QD D 0.7235 ambi=2 { QCD:20.6195 } atom: 412 48R-H N 9.609 ambi=1 { N:120.458 } ::sumAvg: 4.73 atom: 372 44D-QB B 2.7765 ambi=2 { CB:39.967 } atom: 362 43D-H N 8.362 ambi=1 { N:117.113 } ::sumAvg: 4.96 atom: 406 47S-HA A 5.173 ambi=1 { CA:56.399 } atom: 362 43D-H N 8.362 ambi=1 { N:117.113 } ::sumAvg: 4.695 atom: 363 43D-HA A 4.502 ambi=1 { CA:53.545 } atom: 372 44D-QB B 2.7765 ambi=2 { CB:39.967 } ::sumAvg: 4.72 atom: 372 44D-QB B 2.7765 ambi=2 { CB:39.967 } atom: 363 43D-HA A 4.502 ambi=1 { CA:53.545 } ::sumAvg: 4.72 atom: 363 43D-HA A 4.502 ambi=1 { CA:53.545 } atom: 392 46R-H N 8.89 ambi=1 { N:121.899 } ::sumAvg: 4.705 atom: 364 43D-HB2 B 3.125 ambi=2 { CB:39.88 } atom: 370 44D-HA A 4.399 ambi=1 { CA:57.091 } :: atom: 365 43D-HB3 B 3.114 ambi=2 { CB:39.88 } atom: 370 44D-HA A 4.399 ambi=1 { CA:57.091 } ::sumAvg: 4.775 atom: 364 43D-HB2 B 3.125 ambi=2 { CB:39.88 } atom: 376 45K-H N 8.663 ambi=1 { N:116.697 } :: atom: 365 43D-HB3 B 3.114 ambi=2 { CB:39.88 } atom: 376 45K-H N 8.663 ambi=1 { N:116.697 } ::sumAvg: 4.2 atom: 364 43D-HB2 B 3.125 ambi=2 { CB:39.88 } atom: 392 46R-H N 8.89 ambi=1 { N:121.899 } :: atom: 365 43D-HB3 B 3.114 ambi=2 { CB:39.88 } atom: 392 46R-H N 8.89 ambi=1 { N:121.899 } ::sumAvg: 4.425 atom: 377 45K-HA A 4.754 ambi=1 { CA:56.832 } atom: 369 44D-H N 8.427 ambi=1 { N:112.996 } ::sumAvg: 4.81 atom: 378 45K-HB2 B 2.075 ambi=2 { CB:35.383 } atom: 369 44D-H N 8.427 ambi=1 { N:112.996 } :: atom: 379 45K-HB3 B 2 ambi=2 { CB:35.383 } atom: 369 44D-H N 8.427 ambi=1 { N:112.996 } ::sumAvg: 4.975 atom: 380 45K-QG G 1.526 ambi=2 { CG:24.979 } atom: 369 44D-H N 8.427 ambi=1 { N:112.996 } ::sumAvg: 4.87 atom: 370 44D-HA A 4.399 ambi=1 { CA:57.091 } atom: 392 46R-H N 8.89 ambi=1 { N:121.899 } ::sumAvg: 4.57 atom: 370 44D-HA A 4.399 ambi=1 { CA:57.091 } atom: 539 66L-HD1 D1 1.199 ambi=2 { CD1:23.662 } :: atom: 370 44D-HA A 4.399 ambi=1 { CA:57.091 } atom: 540 66L-HD2 D2 1.17 ambi=2 { CD2:25.408 } ::sumAvg: 4.345 atom: 539 66L-HD1 D1 1.199 ambi=2 { CD1:23.662 } atom: 370 44D-HA A 4.399 ambi=1 { CA:57.091 } :: atom: 540 66L-HD2 D2 1.17 ambi=2 { CD2:25.408 } atom: 370 44D-HA A 4.399 ambi=1 { CA:57.091 } ::sumAvg: 4.345 atom: 372 44D-QB B 2.7765 ambi=2 { CB:39.967 } atom: 377 45K-HA A 4.754 ambi=1 { CA:56.832 } ::sumAvg: 4.27 atom: 377 45K-HA A 4.754 ambi=1 { CA:56.832 } atom: 372 44D-QB B 2.7765 ambi=2 { CB:39.967 } ::sumAvg: 4.27 atom: 372 44D-QB B 2.7765 ambi=2 { CB:39.967 } atom: 378 45K-HB2 B 2.075 ambi=2 { CB:35.383 } :: atom: 372 44D-QB B 2.7765 ambi=2 { CB:39.967 } atom: 379 45K-HB3 B 2 ambi=2 { CB:35.383 } ::sumAvg: 4.69 atom: 378 45K-HB2 B 2.075 ambi=2 { CB:35.383 } atom: 372 44D-QB B 2.7765 ambi=2 { CB:39.967 } :: atom: 379 45K-HB3 B 2 ambi=2 { CB:35.383 } atom: 372 44D-QB B 2.7765 ambi=2 { CB:39.967 } ::sumAvg: 4.69 atom: 372 44D-QB B 2.7765 ambi=2 { CB:39.967 } atom: 380 45K-QG G 1.526 ambi=2 { CG:24.979 } ::sumAvg: 4.445 atom: 380 45K-QG G 1.526 ambi=2 { CG:24.979 } atom: 372 44D-QB B 2.7765 ambi=2 { CB:39.967 } ::sumAvg: 4.445 atom: 372 44D-QB B 2.7765 ambi=2 { CB:39.967 } atom: 392 46R-H N 8.89 ambi=1 { N:121.899 } ::sumAvg: 4.58 atom: 372 44D-QB B 2.7765 ambi=2 { CB:39.967 } atom: 539 66L-HD1 D1 1.199 ambi=2 { CD1:23.662 } :: atom: 372 44D-QB B 2.7765 ambi=2 { CB:39.967 } atom: 540 66L-HD2 D2 1.17 ambi=2 { CD2:25.408 } ::sumAvg: 4.2 atom: 393 46R-HA A 5.697 ambi=1 { CA:55.794 } atom: 376 45K-H N 8.663 ambi=1 { N:116.697 } ::sumAvg: 4.785 atom: 396 46R-HG2 G 1.89 ambi=2 { CG:28.471 } atom: 376 45K-H N 8.663 ambi=1 { N:116.697 } :: atom: 397 46R-HG3 G 1.67 ambi=2 { CG:28.471 } atom: 376 45K-H N 8.663 ambi=1 { N:116.697 } ::sumAvg: 4.205 atom: 539 66L-HD1 D1 1.199 ambi=2 { CD1:23.662 } atom: 376 45K-H N 8.663 ambi=1 { N:116.697 } :: atom: 540 66L-HD2 D2 1.17 ambi=2 { CD2:25.408 } atom: 376 45K-H N 8.663 ambi=1 { N:116.697 } ::sumAvg: 4.545 atom: 377 45K-HA A 4.754 ambi=1 { CA:56.832 } atom: 393 46R-HA A 5.697 ambi=1 { CA:55.794 } ::sumAvg: 4.535 atom: 377 45K-HA A 4.754 ambi=1 { CA:56.832 } atom: 396 46R-HG2 G 1.89 ambi=2 { CG:28.471 } :: atom: 377 45K-HA A 4.754 ambi=1 { CA:56.832 } atom: 397 46R-HG3 G 1.67 ambi=2 { CG:28.471 } ::sumAvg: 4.39 atom: 396 46R-HG2 G 1.89 ambi=2 { CG:28.471 } atom: 377 45K-HA A 4.754 ambi=1 { CA:56.832 } :: atom: 397 46R-HG3 G 1.67 ambi=2 { CG:28.471 } atom: 377 45K-HA A 4.754 ambi=1 { CA:56.832 } ::sumAvg: 4.39 atom: 377 45K-HA A 4.754 ambi=1 { CA:56.832 } atom: 539 66L-HD1 D1 1.199 ambi=2 { CD1:23.662 } :: atom: 377 45K-HA A 4.754 ambi=1 { CA:56.832 } atom: 540 66L-HD2 D2 1.17 ambi=2 { CD2:25.408 } ::sumAvg: 4.93 atom: 397 46R-HG3 G 1.67 ambi=2 { CG:28.471 } atom: 378 45K-HB2 B 2.075 ambi=2 { CB:35.383 } ::sumAvg: 3.985 atom: 394 46R-HB2 B 1.988 ambi=2 { CB:33.653 } atom: 380 45K-QG G 1.526 ambi=2 { CG:24.979 } ::sumAvg: 4.925 atom: 380 45K-QG G 1.526 ambi=2 { CG:24.979 } atom: 534 66L-H N 8.722 ambi=1 { N:122.494 } ::sumAvg: 4.965 atom: 536 66L-HB2 B 1.961 ambi=2 { CB:42.475 } atom: 380 45K-QG G 1.526 ambi=2 { CG:24.979 } ::sumAvg: 4.105 atom: 393 46R-HA A 5.697 ambi=1 { CA:55.794 } atom: 406 47S-HA A 5.173 ambi=1 { CA:56.399 } ::sumAvg: 4.53 atom: 406 47S-HA A 5.173 ambi=1 { CA:56.399 } atom: 393 46R-HA A 5.697 ambi=1 { CA:55.794 } ::sumAvg: 4.53 atom: 393 46R-HA A 5.697 ambi=1 { CA:55.794 } atom: 407 47S-HB2 B 3.9 ambi=2 { CB:64.889 } :: atom: 393 46R-HA A 5.697 ambi=1 { CA:55.794 } atom: 408 47S-HB3 B 3.478 ambi=2 { CB:64.889 } ::sumAvg: 4.51 atom: 407 47S-HB2 B 3.9 ambi=2 { CB:64.889 } atom: 393 46R-HA A 5.697 ambi=1 { CA:55.794 } :: atom: 408 47S-HB3 B 3.478 ambi=2 { CB:64.889 } atom: 393 46R-HA A 5.697 ambi=1 { CA:55.794 } ::sumAvg: 4.51 atom: 393 46R-HA A 5.697 ambi=1 { CA:55.794 } atom: 518 64A-H N 9.517 ambi=1 { N:126.372 } ::sumAvg: 4.335 atom: 393 46R-HA A 5.697 ambi=1 { CA:55.794 } atom: 520 64A-HB B 0.922 ambi=1 { CB:23.102 } ::sumAvg: 3.92 atom: 394 46R-HB2 B 1.988 ambi=2 { CB:33.653 } atom: 406 47S-HA A 5.173 ambi=1 { CA:56.399 } :: atom: 395 46R-HB3 B 1.804 ambi=2 { CB:33.653 } atom: 406 47S-HA A 5.173 ambi=1 { CA:56.399 } ::sumAvg: 4.485 atom: 406 47S-HA A 5.173 ambi=1 { CA:56.399 } atom: 394 46R-HB2 B 1.988 ambi=2 { CB:33.653 } :: atom: 406 47S-HA A 5.173 ambi=1 { CA:56.399 } atom: 395 46R-HB3 B 1.804 ambi=2 { CB:33.653 } ::sumAvg: 4.485 atom: 394 46R-HB2 B 1.988 ambi=2 { CB:33.653 } atom: 407 47S-HB2 B 3.9 ambi=2 { CB:64.889 } :: atom: 394 46R-HB2 B 1.988 ambi=2 { CB:33.653 } atom: 408 47S-HB3 B 3.478 ambi=2 { CB:64.889 } :: atom: 395 46R-HB3 B 1.804 ambi=2 { CB:33.653 } atom: 407 47S-HB2 B 3.9 ambi=2 { CB:64.889 } :: atom: 395 46R-HB3 B 1.804 ambi=2 { CB:33.653 } atom: 408 47S-HB3 B 3.478 ambi=2 { CB:64.889 } ::sumAvg: 4.79 atom: 407 47S-HB2 B 3.9 ambi=2 { CB:64.889 } atom: 394 46R-HB2 B 1.988 ambi=2 { CB:33.653 } :: atom: 408 47S-HB3 B 3.478 ambi=2 { CB:64.889 } atom: 394 46R-HB2 B 1.988 ambi=2 { CB:33.653 } :: atom: 407 47S-HB2 B 3.9 ambi=2 { CB:64.889 } atom: 395 46R-HB3 B 1.804 ambi=2 { CB:33.653 } :: atom: 408 47S-HB3 B 3.478 ambi=2 { CB:64.889 } atom: 395 46R-HB3 B 1.804 ambi=2 { CB:33.653 } ::sumAvg: 4.79 atom: 394 46R-HB2 B 1.988 ambi=2 { CB:33.653 } atom: 412 48R-H N 9.609 ambi=1 { N:120.458 } :: atom: 395 46R-HB3 B 1.804 ambi=2 { CB:33.653 } atom: 412 48R-H N 9.609 ambi=1 { N:120.458 } ::sumAvg: 4.285 atom: 394 46R-HB2 B 1.988 ambi=2 { CB:33.653 } atom: 509 63E-HA A 5.573 ambi=1 { CA:54.67 } :: atom: 395 46R-HB3 B 1.804 ambi=2 { CB:33.653 } atom: 509 63E-HA A 5.573 ambi=1 { CA:54.67 } ::sumAvg: 4.9 atom: 509 63E-HA A 5.573 ambi=1 { CA:54.67 } atom: 394 46R-HB2 B 1.988 ambi=2 { CB:33.653 } :: atom: 509 63E-HA A 5.573 ambi=1 { CA:54.67 } atom: 395 46R-HB3 B 1.804 ambi=2 { CB:33.653 } ::sumAvg: 4.9 atom: 520 64A-HB B 0.922 ambi=1 { CB:23.102 } atom: 405 47S-H N 9.185 ambi=1 { N:114.066 } ::sumAvg: 3.83 atom: 416 51V-HA A 4.165 ambi=1 { CA:62.48 } atom: 425 52E-HA A 4.591 ambi=1 { CA:55.189 } ::sumAvg: 4.59 atom: 425 52E-HA A 4.591 ambi=1 { CA:55.189 } atom: 416 51V-HA A 4.165 ambi=1 { CA:62.48 } ::sumAvg: 4.59 atom: 416 51V-HA A 4.165 ambi=1 { CA:62.48 } atom: 434 53A-H N 7.907 ambi=1 { N:128.355 } ::sumAvg: 4.71 atom: 418 51V-QG G 0.835 ambi=2 { QCG:21.345 } atom: 425 52E-HA A 4.591 ambi=1 { CA:55.189 } ::sumAvg: 3.515 atom: 425 52E-HA A 4.591 ambi=1 { CA:55.189 } atom: 418 51V-QG G 0.835 ambi=2 { QCG:21.345 } ::sumAvg: 3.515 atom: 426 52E-HB2 B 1.95 ambi=2 { CB:29.762 } atom: 418 51V-QG G 0.835 ambi=2 { QCG:21.345 } :: atom: 427 52E-HB3 B 1.785 ambi=2 { CB:29.762 } atom: 418 51V-QG G 0.835 ambi=2 { QCG:21.345 } ::sumAvg: 3.925 atom: 418 51V-QG G 0.835 ambi=2 { QCG:21.345 } atom: 429 52E-QG G 2.1655 ambi=2 { CG:34.982 } ::sumAvg: 3.68 atom: 429 52E-QG G 2.1655 ambi=2 { CG:34.982 } atom: 418 51V-QG G 0.835 ambi=2 { QCG:21.345 } ::sumAvg: 3.68 atom: 418 51V-QG G 0.835 ambi=2 { QCG:21.345 } atom: 436 53A-HB B 1.375 ambi=1 { CB:19.989 } ::sumAvg: 4.13 atom: 436 53A-HB B 1.375 ambi=1 { CB:19.989 } atom: 424 52E-H N 8.32 ambi=1 { N:120.516 } ::sumAvg: 4.21 atom: 425 52E-HA A 4.591 ambi=1 { CA:55.189 } atom: 436 53A-HB B 1.375 ambi=1 { CB:19.989 } ::sumAvg: 4.4 atom: 436 53A-HB B 1.375 ambi=1 { CB:19.989 } atom: 425 52E-HA A 4.591 ambi=1 { CA:55.189 } ::sumAvg: 4.4 atom: 425 52E-HA A 4.591 ambi=1 { CA:55.189 } atom: 445 54P-HD2 D 3.743 ambi=2 { CD:50.28 } :: atom: 425 52E-HA A 4.591 ambi=1 { CA:55.189 } atom: 446 54P-HD3 D 3.308 ambi=2 { CD:50.28 } ::sumAvg: 4.76 atom: 445 54P-HD2 D 3.743 ambi=2 { CD:50.28 } atom: 425 52E-HA A 4.591 ambi=1 { CA:55.189 } :: atom: 446 54P-HD3 D 3.308 ambi=2 { CD:50.28 } atom: 425 52E-HA A 4.591 ambi=1 { CA:55.189 } ::sumAvg: 4.76 atom: 426 52E-HB2 B 1.95 ambi=2 { CB:29.762 } atom: 435 53A-HA A 4.799 ambi=1 { CA:49.221 } :: atom: 427 52E-HB3 B 1.785 ambi=2 { CB:29.762 } atom: 435 53A-HA A 4.799 ambi=1 { CA:49.221 } ::sumAvg: 4.99 atom: 435 53A-HA A 4.799 ambi=1 { CA:49.221 } atom: 426 52E-HB2 B 1.95 ambi=2 { CB:29.762 } :: atom: 435 53A-HA A 4.799 ambi=1 { CA:49.221 } atom: 427 52E-HB3 B 1.785 ambi=2 { CB:29.762 } ::sumAvg: 4.99 atom: 426 52E-HB2 B 1.95 ambi=2 { CB:29.762 } atom: 436 53A-HB B 1.375 ambi=1 { CB:19.989 } :: atom: 427 52E-HB3 B 1.785 ambi=2 { CB:29.762 } atom: 436 53A-HB B 1.375 ambi=1 { CB:19.989 } ::sumAvg: 4.49 atom: 436 53A-HB B 1.375 ambi=1 { CB:19.989 } atom: 426 52E-HB2 B 1.95 ambi=2 { CB:29.762 } :: atom: 436 53A-HB B 1.375 ambi=1 { CB:19.989 } atom: 427 52E-HB3 B 1.785 ambi=2 { CB:29.762 } ::sumAvg: 4.49 atom: 429 52E-QG G 2.1655 ambi=2 { CG:34.982 } atom: 435 53A-HA A 4.799 ambi=1 { CA:49.221 } ::sumAvg: 4.96 atom: 435 53A-HA A 4.799 ambi=1 { CA:49.221 } atom: 429 52E-QG G 2.1655 ambi=2 { CG:34.982 } ::sumAvg: 4.96 atom: 429 52E-QG G 2.1655 ambi=2 { CG:34.982 } atom: 436 53A-HB B 1.375 ambi=1 { CB:19.989 } ::sumAvg: 4.23 atom: 436 53A-HB B 1.375 ambi=1 { CB:19.989 } atom: 429 52E-QG G 2.1655 ambi=2 { CG:34.982 } ::sumAvg: 4.23 atom: 445 54P-HD2 D 3.743 ambi=2 { CD:50.28 } atom: 434 53A-H N 7.907 ambi=1 { N:128.355 } :: atom: 446 54P-HD3 D 3.308 ambi=2 { CD:50.28 } atom: 434 53A-H N 7.907 ambi=1 { N:128.355 } ::sumAvg: 3.625 atom: 435 53A-HA A 4.799 ambi=1 { CA:49.221 } atom: 444 54P-QG G 1.9365 ambi=2 { CG:27.14 } ::sumAvg: 3.965 atom: 435 53A-HA A 4.799 ambi=1 { CA:49.221 } atom: 445 54P-HD2 D 3.743 ambi=2 { CD:50.28 } :: atom: 435 53A-HA A 4.799 ambi=1 { CA:49.221 } atom: 446 54P-HD3 D 3.308 ambi=2 { CD:50.28 } ::sumAvg: 2.16 atom: 436 53A-HB B 1.375 ambi=1 { CB:19.989 } atom: 440 54P-HA A 4.419 ambi=1 { CA:62.021 } ::sumAvg: 4.52 atom: 440 54P-HA A 4.419 ambi=1 { CA:62.021 } atom: 436 53A-HB B 1.375 ambi=1 { CB:19.989 } ::sumAvg: 4.52 atom: 436 53A-HB B 1.375 ambi=1 { CB:19.989 } atom: 444 54P-QG G 1.9365 ambi=2 { CG:27.14 } ::sumAvg: 4.24 atom: 444 54P-QG G 1.9365 ambi=2 { CG:27.14 } atom: 436 53A-HB B 1.375 ambi=1 { CB:19.989 } ::sumAvg: 4.24 atom: 440 54P-HA A 4.419 ambi=1 { CA:62.021 } atom: 453 55A-HB B 1.343 ambi=1 { CB:16.962 } ::sumAvg: 4.12 atom: 462 56P-HD2 D 3.505 ambi=2 { CD:49.913 } atom: 440 54P-HA A 4.419 ambi=1 { CA:62.021 } :: atom: 463 56P-HD3 D 3.482 ambi=2 { CD:49.913 } atom: 440 54P-HA A 4.419 ambi=1 { CA:62.021 } ::sumAvg: 4.725 atom: 441 54P-HB2 B 2.393 ambi=2 { CB:31.973 } atom: 452 55A-HA A 4.18 ambi=1 { CA:51.729 } :: atom: 442 54P-HB3 B 1.832 ambi=2 { CB:31.973 } atom: 452 55A-HA A 4.18 ambi=1 { CA:51.729 } ::sumAvg: 4.905 atom: 452 55A-HA A 4.18 ambi=1 { CA:51.729 } atom: 441 54P-HB2 B 2.393 ambi=2 { CB:31.973 } :: atom: 452 55A-HA A 4.18 ambi=1 { CA:51.729 } atom: 442 54P-HB3 B 1.832 ambi=2 { CB:31.973 } ::sumAvg: 4.905 atom: 441 54P-HB2 B 2.393 ambi=2 { CB:31.973 } atom: 462 56P-HD2 D 3.505 ambi=2 { CD:49.913 } :: atom: 441 54P-HB2 B 2.393 ambi=2 { CB:31.973 } atom: 463 56P-HD3 D 3.482 ambi=2 { CD:49.913 } :: atom: 442 54P-HB3 B 1.832 ambi=2 { CB:31.973 } atom: 462 56P-HD2 D 3.505 ambi=2 { CD:49.913 } :: atom: 442 54P-HB3 B 1.832 ambi=2 { CB:31.973 } atom: 463 56P-HD3 D 3.482 ambi=2 { CD:49.913 } ::sumAvg: 4.765 atom: 444 54P-QG G 1.9365 ambi=2 { CG:27.14 } atom: 453 55A-HB B 1.343 ambi=1 { CB:16.962 } ::sumAvg: 4.41 atom: 453 55A-HB B 1.343 ambi=1 { CB:16.962 } atom: 444 54P-QG G 1.9365 ambi=2 { CG:27.14 } ::sumAvg: 4.41 atom: 462 56P-HD2 D 3.505 ambi=2 { CD:49.913 } atom: 451 55A-H N 8.619 ambi=1 { N:125.99 } :: atom: 463 56P-HD3 D 3.482 ambi=2 { CD:49.913 } atom: 451 55A-H N 8.619 ambi=1 { N:125.99 } ::sumAvg: 3.5 atom: 482 58G-HA2 A 3.909 ambi=2 { CA:45.685 } atom: 451 55A-H N 8.619 ambi=1 { N:125.99 } :: atom: 483 58G-HA3 A 3.699 ambi=2 { CA:45.685 } atom: 451 55A-H N 8.619 ambi=1 { N:125.99 } ::sumAvg: 4.765 atom: 452 55A-HA A 4.18 ambi=1 { CA:51.729 } atom: 461 56P-QG G 2.0015 ambi=2 { CG:27.14 } ::sumAvg: 4.045 atom: 461 56P-QG G 2.0015 ambi=2 { CG:27.14 } atom: 452 55A-HA A 4.18 ambi=1 { CA:51.729 } ::sumAvg: 4.045 atom: 452 55A-HA A 4.18 ambi=1 { CA:51.729 } atom: 462 56P-HD2 D 3.505 ambi=2 { CD:49.913 } :: atom: 452 55A-HA A 4.18 ambi=1 { CA:51.729 } atom: 463 56P-HD3 D 3.482 ambi=2 { CD:49.913 } ::sumAvg: 2.2 atom: 462 56P-HD2 D 3.505 ambi=2 { CD:49.913 } atom: 452 55A-HA A 4.18 ambi=1 { CA:51.729 } :: atom: 463 56P-HD3 D 3.482 ambi=2 { CD:49.913 } atom: 452 55A-HA A 4.18 ambi=1 { CA:51.729 } ::sumAvg: 2.2 atom: 452 55A-HA A 4.18 ambi=1 { CA:51.729 } atom: 483 58G-HA3 A 3.699 ambi=2 { CA:45.685 } ::sumAvg: 4.76 atom: 483 58G-HA3 A 3.699 ambi=2 { CA:45.685 } atom: 452 55A-HA A 4.18 ambi=1 { CA:51.729 } ::sumAvg: 4.76 atom: 457 56P-HA A 4.579 ambi=1 { CA:63.318 } atom: 453 55A-HB B 1.343 ambi=1 { CB:16.962 } ::sumAvg: 4.555 atom: 453 55A-HB B 1.343 ambi=1 { CB:16.962 } atom: 461 56P-QG G 2.0015 ambi=2 { CG:27.14 } ::sumAvg: 4.345 atom: 461 56P-QG G 2.0015 ambi=2 { CG:27.14 } atom: 453 55A-HB B 1.343 ambi=1 { CB:16.962 } ::sumAvg: 4.345 atom: 462 56P-HD2 D 3.505 ambi=2 { CD:49.913 } atom: 453 55A-HB B 1.343 ambi=1 { CB:16.962 } :: atom: 463 56P-HD3 D 3.482 ambi=2 { CD:49.913 } atom: 453 55A-HB B 1.343 ambi=1 { CB:16.962 } ::sumAvg: 2.975 atom: 453 55A-HB B 1.343 ambi=1 { CB:16.962 } atom: 473 57L-HD1 D1 0.872 ambi=2 { CD1:24.1 } :: atom: 453 55A-HB B 1.343 ambi=1 { CB:16.962 } atom: 474 57L-HD2 D2 0.807 ambi=2 { CD2:24.1 } ::sumAvg: 4.175 atom: 473 57L-HD1 D1 0.872 ambi=2 { CD1:24.1 } atom: 453 55A-HB B 1.343 ambi=1 { CB:16.962 } :: atom: 474 57L-HD2 D2 0.807 ambi=2 { CD2:24.1 } atom: 453 55A-HB B 1.343 ambi=1 { CB:16.962 } ::sumAvg: 4.175 atom: 453 55A-HB B 1.343 ambi=1 { CB:16.962 } atom: 481 58G-H N 6.968 ambi=1 { N:105.312 } ::sumAvg: 2.945 atom: 453 55A-HB B 1.343 ambi=1 { CB:16.962 } atom: 482 58G-HA2 A 3.909 ambi=2 { CA:45.685 } :: atom: 453 55A-HB B 1.343 ambi=1 { CB:16.962 } atom: 483 58G-HA3 A 3.699 ambi=2 { CA:45.685 } ::sumAvg: 2.695 atom: 453 55A-HB B 1.343 ambi=1 { CB:16.962 } atom: 486 59A-H N 8.111 ambi=1 { N:123.443 } ::sumAvg: 3.605 atom: 453 55A-HB B 1.343 ambi=1 { CB:16.962 } atom: 487 59A-HA A 4.819 ambi=1 { CA:52.162 } ::sumAvg: 4.51 atom: 487 59A-HA A 4.819 ambi=1 { CA:52.162 } atom: 453 55A-HB B 1.343 ambi=1 { CB:16.962 } ::sumAvg: 4.51 atom: 457 56P-HA A 4.579 ambi=1 { CA:63.318 } atom: 481 58G-H N 6.968 ambi=1 { N:105.312 } ::sumAvg: 4.57 atom: 469 57L-HA A 4.239 ambi=1 { CA:57.351 } atom: 458 56P-HB2 B 2.364 ambi=2 { CB:33.653 } :: atom: 469 57L-HA A 4.239 ambi=1 { CA:57.351 } atom: 459 56P-HB3 B 2.213 ambi=2 { CB:33.653 } ::sumAvg: 4.39 atom: 470 57L-HB2 B 1.654 ambi=2 { CB:42.216 } atom: 458 56P-HB2 B 2.364 ambi=2 { CB:33.653 } :: atom: 471 57L-HB3 B 1.626 ambi=2 { CB:42.216 } atom: 458 56P-HB2 B 2.364 ambi=2 { CB:33.653 } :: atom: 470 57L-HB2 B 1.654 ambi=2 { CB:42.216 } atom: 459 56P-HB3 B 2.213 ambi=2 { CB:33.653 } :: atom: 471 57L-HB3 B 1.626 ambi=2 { CB:42.216 } atom: 459 56P-HB3 B 2.213 ambi=2 { CB:33.653 } ::sumAvg: 4.355 atom: 458 56P-HB2 B 2.364 ambi=2 { CB:33.653 } atom: 472 57L-HG G 1.449 ambi=1 { CG:26.77 } :: atom: 459 56P-HB3 B 2.213 ambi=2 { CB:33.653 } atom: 472 57L-HG G 1.449 ambi=1 { CG:26.77 } ::sumAvg: 4.665 atom: 472 57L-HG G 1.449 ambi=1 { CG:26.77 } atom: 458 56P-HB2 B 2.364 ambi=2 { CB:33.653 } :: atom: 472 57L-HG G 1.449 ambi=1 { CG:26.77 } atom: 459 56P-HB3 B 2.213 ambi=2 { CB:33.653 } ::sumAvg: 4.665 atom: 458 56P-HB2 B 2.364 ambi=2 { CB:33.653 } atom: 473 57L-HD1 D1 0.872 ambi=2 { CD1:24.1 } :: atom: 458 56P-HB2 B 2.364 ambi=2 { CB:33.653 } atom: 474 57L-HD2 D2 0.807 ambi=2 { CD2:24.1 } :: atom: 459 56P-HB3 B 2.213 ambi=2 { CB:33.653 } atom: 473 57L-HD1 D1 0.872 ambi=2 { CD1:24.1 } :: atom: 459 56P-HB3 B 2.213 ambi=2 { CB:33.653 } atom: 474 57L-HD2 D2 0.807 ambi=2 { CD2:24.1 } ::sumAvg: 3.935 atom: 458 56P-HB2 B 2.364 ambi=2 { CB:33.653 } atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } :: atom: 458 56P-HB2 B 2.364 ambi=2 { CB:33.653 } atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } :: atom: 459 56P-HB3 B 2.213 ambi=2 { CB:33.653 } atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } :: atom: 459 56P-HB3 B 2.213 ambi=2 { CB:33.653 } atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } ::sumAvg: 4.625 atom: 461 56P-QG G 2.0015 ambi=2 { CG:27.14 } atom: 473 57L-HD1 D1 0.872 ambi=2 { CD1:24.1 } :: atom: 461 56P-QG G 2.0015 ambi=2 { CG:27.14 } atom: 474 57L-HD2 D2 0.807 ambi=2 { CD2:24.1 } ::sumAvg: 4.335 atom: 461 56P-QG G 2.0015 ambi=2 { CG:27.14 } atom: 481 58G-H N 6.968 ambi=1 { N:105.312 } ::sumAvg: 4.465 atom: 461 56P-QG G 2.0015 ambi=2 { CG:27.14 } atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } :: atom: 461 56P-QG G 2.0015 ambi=2 { CG:27.14 } atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } ::sumAvg: 4.95 atom: 462 56P-HD2 D 3.505 ambi=2 { CD:49.913 } atom: 473 57L-HD1 D1 0.872 ambi=2 { CD1:24.1 } :: atom: 462 56P-HD2 D 3.505 ambi=2 { CD:49.913 } atom: 474 57L-HD2 D2 0.807 ambi=2 { CD2:24.1 } :: atom: 463 56P-HD3 D 3.482 ambi=2 { CD:49.913 } atom: 473 57L-HD1 D1 0.872 ambi=2 { CD1:24.1 } :: atom: 463 56P-HD3 D 3.482 ambi=2 { CD:49.913 } atom: 474 57L-HD2 D2 0.807 ambi=2 { CD2:24.1 } ::sumAvg: 4.395 atom: 473 57L-HD1 D1 0.872 ambi=2 { CD1:24.1 } atom: 462 56P-HD2 D 3.505 ambi=2 { CD:49.913 } :: atom: 474 57L-HD2 D2 0.807 ambi=2 { CD2:24.1 } atom: 462 56P-HD2 D 3.505 ambi=2 { CD:49.913 } :: atom: 473 57L-HD1 D1 0.872 ambi=2 { CD1:24.1 } atom: 463 56P-HD3 D 3.482 ambi=2 { CD:49.913 } :: atom: 474 57L-HD2 D2 0.807 ambi=2 { CD2:24.1 } atom: 463 56P-HD3 D 3.482 ambi=2 { CD:49.913 } ::sumAvg: 4.395 atom: 462 56P-HD2 D 3.505 ambi=2 { CD:49.913 } atom: 481 58G-H N 6.968 ambi=1 { N:105.312 } :: atom: 463 56P-HD3 D 3.482 ambi=2 { CD:49.913 } atom: 481 58G-H N 6.968 ambi=1 { N:105.312 } ::sumAvg: 3.93 atom: 469 57L-HA A 4.239 ambi=1 { CA:57.351 } atom: 483 58G-HA3 A 3.699 ambi=2 { CA:45.685 } ::sumAvg: 4.62 atom: 483 58G-HA3 A 3.699 ambi=2 { CA:45.685 } atom: 469 57L-HA A 4.239 ambi=1 { CA:57.351 } ::sumAvg: 4.62 atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } atom: 469 57L-HA A 4.239 ambi=1 { CA:57.351 } :: atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } atom: 469 57L-HA A 4.239 ambi=1 { CA:57.351 } ::sumAvg: 4.965 atom: 470 57L-HB2 B 1.654 ambi=2 { CB:42.216 } atom: 482 58G-HA2 A 3.909 ambi=2 { CA:45.685 } :: atom: 470 57L-HB2 B 1.654 ambi=2 { CB:42.216 } atom: 483 58G-HA3 A 3.699 ambi=2 { CA:45.685 } :: atom: 471 57L-HB3 B 1.626 ambi=2 { CB:42.216 } atom: 482 58G-HA2 A 3.909 ambi=2 { CA:45.685 } :: atom: 471 57L-HB3 B 1.626 ambi=2 { CB:42.216 } atom: 483 58G-HA3 A 3.699 ambi=2 { CA:45.685 } ::sumAvg: 4.6 atom: 482 58G-HA2 A 3.909 ambi=2 { CA:45.685 } atom: 470 57L-HB2 B 1.654 ambi=2 { CB:42.216 } :: atom: 483 58G-HA3 A 3.699 ambi=2 { CA:45.685 } atom: 470 57L-HB2 B 1.654 ambi=2 { CB:42.216 } :: atom: 482 58G-HA2 A 3.909 ambi=2 { CA:45.685 } atom: 471 57L-HB3 B 1.626 ambi=2 { CB:42.216 } :: atom: 483 58G-HA3 A 3.699 ambi=2 { CA:45.685 } atom: 471 57L-HB3 B 1.626 ambi=2 { CB:42.216 } ::sumAvg: 4.6 atom: 470 57L-HB2 B 1.654 ambi=2 { CB:42.216 } atom: 492 60V-H N 8.911 ambi=1 { N:123.358 } :: atom: 471 57L-HB3 B 1.626 ambi=2 { CB:42.216 } atom: 492 60V-H N 8.911 ambi=1 { N:123.358 } ::sumAvg: 4.65 atom: 470 57L-HB2 B 1.654 ambi=2 { CB:42.216 } atom: 494 60V-HB B 2.066 ambi=1 { CB:26.992 } :: atom: 471 57L-HB3 B 1.626 ambi=2 { CB:42.216 } atom: 494 60V-HB B 2.066 ambi=1 { CB:26.992 } ::sumAvg: 4.965 atom: 494 60V-HB B 2.066 ambi=1 { CB:26.992 } atom: 470 57L-HB2 B 1.654 ambi=2 { CB:42.216 } :: atom: 494 60V-HB B 2.066 ambi=1 { CB:26.992 } atom: 471 57L-HB3 B 1.626 ambi=2 { CB:42.216 } ::sumAvg: 4.965 atom: 470 57L-HB2 B 1.654 ambi=2 { CB:42.216 } atom: 511 63E-QB B 2.0665 ambi=2 { CB:31.924 } :: atom: 471 57L-HB3 B 1.626 ambi=2 { CB:42.216 } atom: 511 63E-QB B 2.0665 ambi=2 { CB:31.924 } ::sumAvg: 4.775 atom: 511 63E-QB B 2.0665 ambi=2 { CB:31.924 } atom: 470 57L-HB2 B 1.654 ambi=2 { CB:42.216 } :: atom: 511 63E-QB B 2.0665 ambi=2 { CB:31.924 } atom: 471 57L-HB3 B 1.626 ambi=2 { CB:42.216 } ::sumAvg: 4.775 atom: 472 57L-HG G 1.449 ambi=1 { CG:26.77 } atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } :: atom: 472 57L-HG G 1.449 ambi=1 { CG:26.77 } atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } ::sumAvg: 4.595 atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } atom: 472 57L-HG G 1.449 ambi=1 { CG:26.77 } :: atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } atom: 472 57L-HG G 1.449 ambi=1 { CG:26.77 } ::sumAvg: 4.595 atom: 473 57L-HD1 D1 0.872 ambi=2 { CD1:24.1 } atom: 482 58G-HA2 A 3.909 ambi=2 { CA:45.685 } :: atom: 473 57L-HD1 D1 0.872 ambi=2 { CD1:24.1 } atom: 483 58G-HA3 A 3.699 ambi=2 { CA:45.685 } :: atom: 474 57L-HD2 D2 0.807 ambi=2 { CD2:24.1 } atom: 482 58G-HA2 A 3.909 ambi=2 { CA:45.685 } :: atom: 474 57L-HD2 D2 0.807 ambi=2 { CD2:24.1 } atom: 483 58G-HA3 A 3.699 ambi=2 { CA:45.685 } ::sumAvg: 4.335 atom: 482 58G-HA2 A 3.909 ambi=2 { CA:45.685 } atom: 473 57L-HD1 D1 0.872 ambi=2 { CD1:24.1 } :: atom: 483 58G-HA3 A 3.699 ambi=2 { CA:45.685 } atom: 473 57L-HD1 D1 0.872 ambi=2 { CD1:24.1 } :: atom: 482 58G-HA2 A 3.909 ambi=2 { CA:45.685 } atom: 474 57L-HD2 D2 0.807 ambi=2 { CD2:24.1 } :: atom: 483 58G-HA3 A 3.699 ambi=2 { CA:45.685 } atom: 474 57L-HD2 D2 0.807 ambi=2 { CD2:24.1 } ::sumAvg: 4.335 atom: 473 57L-HD1 D1 0.872 ambi=2 { CD1:24.1 } atom: 511 63E-QB B 2.0665 ambi=2 { CB:31.924 } :: atom: 474 57L-HD2 D2 0.807 ambi=2 { CD2:24.1 } atom: 511 63E-QB B 2.0665 ambi=2 { CB:31.924 } ::sumAvg: 4.01 atom: 511 63E-QB B 2.0665 ambi=2 { CB:31.924 } atom: 473 57L-HD1 D1 0.872 ambi=2 { CD1:24.1 } :: atom: 511 63E-QB B 2.0665 ambi=2 { CB:31.924 } atom: 474 57L-HD2 D2 0.807 ambi=2 { CD2:24.1 } ::sumAvg: 4.01 atom: 473 57L-HD1 D1 0.872 ambi=2 { CD1:24.1 } atom: 667 80L-H N 8.678 ambi=1 { N:123.071 } :: atom: 474 57L-HD2 D2 0.807 ambi=2 { CD2:24.1 } atom: 667 80L-H N 8.678 ambi=1 { N:123.071 } ::sumAvg: 4.645 atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } atom: 473 57L-HD1 D1 0.872 ambi=2 { CD1:24.1 } :: atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } atom: 474 57L-HD2 D2 0.807 ambi=2 { CD2:24.1 } ::sumAvg: 4.815 atom: 488 59A-HB B 1.259 ambi=1 { CB:19.003 } atom: 481 58G-H N 6.968 ambi=1 { N:105.312 } ::sumAvg: 4.84 atom: 495 60V-QG G 0.982 ambi=2 { QCG:21.056 } atom: 481 58G-H N 6.968 ambi=1 { N:105.312 } ::sumAvg: 4.81 atom: 482 58G-HA2 A 3.909 ambi=2 { CA:45.685 } atom: 487 59A-HA A 4.819 ambi=1 { CA:52.162 } :: atom: 483 58G-HA3 A 3.699 ambi=2 { CA:45.685 } atom: 487 59A-HA A 4.819 ambi=1 { CA:52.162 } ::sumAvg: 4.52 atom: 487 59A-HA A 4.819 ambi=1 { CA:52.162 } atom: 482 58G-HA2 A 3.909 ambi=2 { CA:45.685 } :: atom: 487 59A-HA A 4.819 ambi=1 { CA:52.162 } atom: 483 58G-HA3 A 3.699 ambi=2 { CA:45.685 } ::sumAvg: 4.52 atom: 482 58G-HA2 A 3.909 ambi=2 { CA:45.685 } atom: 488 59A-HB B 1.259 ambi=1 { CB:19.003 } :: atom: 483 58G-HA3 A 3.699 ambi=2 { CA:45.685 } atom: 488 59A-HB B 1.259 ambi=1 { CB:19.003 } ::sumAvg: 4.105 atom: 488 59A-HB B 1.259 ambi=1 { CB:19.003 } atom: 482 58G-HA2 A 3.909 ambi=2 { CA:45.685 } :: atom: 488 59A-HB B 1.259 ambi=1 { CB:19.003 } atom: 483 58G-HA3 A 3.699 ambi=2 { CA:45.685 } ::sumAvg: 4.105 atom: 482 58G-HA2 A 3.909 ambi=2 { CA:45.685 } atom: 492 60V-H N 8.911 ambi=1 { N:123.358 } :: atom: 483 58G-HA3 A 3.699 ambi=2 { CA:45.685 } atom: 492 60V-H N 8.911 ambi=1 { N:123.358 } ::sumAvg: 4.98 atom: 493 60V-HA A 4.424 ambi=1 { CA:61.416 } atom: 486 59A-H N 8.111 ambi=1 { N:123.443 } ::sumAvg: 4.79 atom: 495 60V-QG G 0.982 ambi=2 { QCG:21.056 } atom: 486 59A-H N 8.111 ambi=1 { N:123.443 } ::sumAvg: 3.915 atom: 487 59A-HA A 4.819 ambi=1 { CA:52.162 } atom: 495 60V-QG G 0.982 ambi=2 { QCG:21.056 } ::sumAvg: 3.945 atom: 493 60V-HA A 4.424 ambi=1 { CA:61.416 } atom: 488 59A-HB B 1.259 ambi=1 { CB:19.003 } ::sumAvg: 4.375 atom: 488 59A-HB B 1.259 ambi=1 { CB:19.003 } atom: 494 60V-HB B 2.066 ambi=1 { CB:26.992 } ::sumAvg: 4.725 atom: 494 60V-HB B 2.066 ambi=1 { CB:26.992 } atom: 488 59A-HB B 1.259 ambi=1 { CB:19.003 } ::sumAvg: 4.725 atom: 502 62W-HA A 5.112 ambi=1 { CA:57.178 } atom: 495 60V-QG G 0.982 ambi=2 { QCG:21.056 } ::sumAvg: 4.845 atom: 495 60V-QG G 0.982 ambi=2 { QCG:21.056 } atom: 503 62W-HB2 B 3.56 ambi=2 { CB:31.664 } :: atom: 495 60V-QG G 0.982 ambi=2 { QCG:21.056 } atom: 504 62W-HB3 B 3.434 ambi=2 { CB:31.664 } ::sumAvg: 4.59 atom: 503 62W-HB2 B 3.56 ambi=2 { CB:31.664 } atom: 495 60V-QG G 0.982 ambi=2 { QCG:21.056 } :: atom: 504 62W-HB3 B 3.434 ambi=2 { CB:31.664 } atom: 495 60V-QG G 0.982 ambi=2 { QCG:21.056 } ::sumAvg: 4.59 atom: 495 60V-QG G 0.982 ambi=2 { QCG:21.056 } atom: 669 80L-HB2 B 1.725 ambi=2 { CB:39.8 } :: atom: 495 60V-QG G 0.982 ambi=2 { QCG:21.056 } atom: 670 80L-HB3 B 1.645 ambi=2 { CB:39.8 } ::sumAvg: 4.625 atom: 502 62W-HA A 5.112 ambi=1 { CA:57.178 } atom: 509 63E-HA A 5.573 ambi=1 { CA:54.67 } ::sumAvg: 4.49 atom: 509 63E-HA A 5.573 ambi=1 { CA:54.67 } atom: 502 62W-HA A 5.112 ambi=1 { CA:57.178 } ::sumAvg: 4.49 atom: 502 62W-HA A 5.112 ambi=1 { CA:57.178 } atom: 511 63E-QB B 2.0665 ambi=2 { CB:31.924 } ::sumAvg: 4.62 atom: 511 63E-QB B 2.0665 ambi=2 { CB:31.924 } atom: 502 62W-HA A 5.112 ambi=1 { CA:57.178 } ::sumAvg: 4.62 atom: 502 62W-HA A 5.112 ambi=1 { CA:57.178 } atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } :: atom: 502 62W-HA A 5.112 ambi=1 { CA:57.178 } atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } ::sumAvg: 4.74 atom: 503 62W-HB2 B 3.56 ambi=2 { CB:31.664 } atom: 509 63E-HA A 5.573 ambi=1 { CA:54.67 } :: atom: 504 62W-HB3 B 3.434 ambi=2 { CB:31.664 } atom: 509 63E-HA A 5.573 ambi=1 { CA:54.67 } ::sumAvg: 4.465 atom: 509 63E-HA A 5.573 ambi=1 { CA:54.67 } atom: 503 62W-HB2 B 3.56 ambi=2 { CB:31.664 } :: atom: 509 63E-HA A 5.573 ambi=1 { CA:54.67 } atom: 504 62W-HB3 B 3.434 ambi=2 { CB:31.664 } ::sumAvg: 4.465 atom: 503 62W-HB2 B 3.56 ambi=2 { CB:31.664 } atom: 511 63E-QB B 2.0665 ambi=2 { CB:31.924 } :: atom: 504 62W-HB3 B 3.434 ambi=2 { CB:31.664 } atom: 511 63E-QB B 2.0665 ambi=2 { CB:31.924 } ::sumAvg: 4.7 atom: 511 63E-QB B 2.0665 ambi=2 { CB:31.924 } atom: 503 62W-HB2 B 3.56 ambi=2 { CB:31.664 } :: atom: 511 63E-QB B 2.0665 ambi=2 { CB:31.924 } atom: 504 62W-HB3 B 3.434 ambi=2 { CB:31.664 } ::sumAvg: 4.7 atom: 509 63E-HA A 5.573 ambi=1 { CA:54.67 } atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } ::sumAvg: 4.4 atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } atom: 509 63E-HA A 5.573 ambi=1 { CA:54.67 } ::sumAvg: 4.4 atom: 509 63E-HA A 5.573 ambi=1 { CA:54.67 } atom: 520 64A-HB B 0.922 ambi=1 { CB:23.102 } ::sumAvg: 3.98 atom: 520 64A-HB B 0.922 ambi=1 { CB:23.102 } atom: 509 63E-HA A 5.573 ambi=1 { CA:54.67 } ::sumAvg: 3.98 atom: 509 63E-HA A 5.573 ambi=1 { CA:54.67 } atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } :: atom: 509 63E-HA A 5.573 ambi=1 { CA:54.67 } atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } ::sumAvg: 4.63 atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } atom: 509 63E-HA A 5.573 ambi=1 { CA:54.67 } :: atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } atom: 509 63E-HA A 5.573 ambi=1 { CA:54.67 } ::sumAvg: 4.63 atom: 511 63E-QB B 2.0665 ambi=2 { CB:31.924 } atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } ::sumAvg: 4.405 atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } atom: 511 63E-QB B 2.0665 ambi=2 { CB:31.924 } ::sumAvg: 4.405 atom: 511 63E-QB B 2.0665 ambi=2 { CB:31.924 } atom: 524 65E-H N 8.93 ambi=1 { N:114.62 } ::sumAvg: 4.94 atom: 511 63E-QB B 2.0665 ambi=2 { CB:31.924 } atom: 671 80L-HG G 1.584 ambi=1 { CG:26.77 } ::sumAvg: 4.44 atom: 525 65E-HA A 5.687 ambi=1 { CA:52.424 } atom: 518 64A-H N 9.517 ambi=1 { N:126.372 } ::sumAvg: 4.955 atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } atom: 525 65E-HA A 5.687 ambi=1 { CA:52.424 } ::sumAvg: 4.395 atom: 525 65E-HA A 5.687 ambi=1 { CA:52.424 } atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } ::sumAvg: 4.395 atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } atom: 526 65E-HB2 B 2.037 ambi=2 { CB:32.962 } :: atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } atom: 527 65E-HB3 B 1.943 ambi=2 { CB:32.962 } ::sumAvg: 4.455 atom: 526 65E-HB2 B 2.037 ambi=2 { CB:32.962 } atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } :: atom: 527 65E-HB3 B 1.943 ambi=2 { CB:32.962 } atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } ::sumAvg: 4.455 atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } atom: 662 79S-HB2 B 4.036 ambi=2 { CB:63.658 } :: atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } atom: 663 79S-HB3 B 3.732 ambi=2 { CB:63.658 } ::sumAvg: 4.495 atom: 662 79S-HB2 B 4.036 ambi=2 { CB:63.658 } atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } :: atom: 663 79S-HB3 B 3.732 ambi=2 { CB:63.658 } atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } ::sumAvg: 4.495 atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } atom: 667 80L-H N 8.678 ambi=1 { N:123.071 } ::sumAvg: 3.93 atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } atom: 669 80L-HB2 B 1.725 ambi=2 { CB:39.8 } :: atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } atom: 670 80L-HB3 B 1.645 ambi=2 { CB:39.8 } ::sumAvg: 3.975 atom: 669 80L-HB2 B 1.725 ambi=2 { CB:39.8 } atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } :: atom: 670 80L-HB3 B 1.645 ambi=2 { CB:39.8 } atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } ::sumAvg: 3.975 atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } atom: 671 80L-HG G 1.584 ambi=1 { CG:26.77 } ::sumAvg: 4.23 atom: 671 80L-HG G 1.584 ambi=1 { CG:26.77 } atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } ::sumAvg: 4.23 atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } ::sumAvg: 4.17 atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } atom: 519 64A-HA A 5.157 ambi=1 { CA:50.518 } ::sumAvg: 4.17 atom: 642 77W-HB2 B 3.415 ambi=2 { CB:32.957 } atom: 520 64A-HB B 0.922 ambi=1 { CB:23.102 } :: atom: 643 77W-HB3 B 2.935 ambi=2 { CB:32.957 } atom: 520 64A-HB B 0.922 ambi=1 { CB:23.102 } ::sumAvg: 4.395 atom: 520 64A-HB B 0.922 ambi=1 { CB:23.102 } atom: 662 79S-HB2 B 4.036 ambi=2 { CB:63.658 } :: atom: 520 64A-HB B 0.922 ambi=1 { CB:23.102 } atom: 663 79S-HB3 B 3.732 ambi=2 { CB:63.658 } ::sumAvg: 4.465 atom: 662 79S-HB2 B 4.036 ambi=2 { CB:63.658 } atom: 520 64A-HB B 0.922 ambi=1 { CB:23.102 } :: atom: 663 79S-HB3 B 3.732 ambi=2 { CB:63.658 } atom: 520 64A-HB B 0.922 ambi=1 { CB:23.102 } ::sumAvg: 4.465 atom: 520 64A-HB B 0.922 ambi=1 { CB:23.102 } atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } ::sumAvg: 4.73 atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } atom: 520 64A-HB B 0.922 ambi=1 { CB:23.102 } ::sumAvg: 4.73 atom: 535 66L-HA A 5.281 ambi=1 { CA:54.843 } atom: 524 65E-H N 8.93 ambi=1 { N:114.62 } ::sumAvg: 4.715 atom: 539 66L-HD1 D1 1.199 ambi=2 { CD1:23.662 } atom: 524 65E-H N 8.93 ambi=1 { N:114.62 } :: atom: 540 66L-HD2 D2 1.17 ambi=2 { CD2:25.408 } atom: 524 65E-H N 8.93 ambi=1 { N:114.62 } ::sumAvg: 4.935 atom: 661 79S-HA A 4.651 ambi=1 { CA:58.338 } atom: 524 65E-H N 8.93 ambi=1 { N:114.62 } ::sumAvg: 4.54 atom: 668 80L-HA A 4.641 ambi=1 { CA:53.718 } atom: 524 65E-H N 8.93 ambi=1 { N:114.62 } ::sumAvg: 4.65 atom: 669 80L-HB2 B 1.725 ambi=2 { CB:39.8 } atom: 524 65E-H N 8.93 ambi=1 { N:114.62 } :: atom: 670 80L-HB3 B 1.645 ambi=2 { CB:39.8 } atom: 524 65E-H N 8.93 ambi=1 { N:114.62 } ::sumAvg: 4.685 atom: 671 80L-HG G 1.584 ambi=1 { CG:26.77 } atom: 524 65E-H N 8.93 ambi=1 { N:114.62 } ::sumAvg: 4.805 atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } atom: 524 65E-H N 8.93 ambi=1 { N:114.62 } ::sumAvg: 4.99 atom: 525 65E-HA A 5.687 ambi=1 { CA:52.424 } atom: 535 66L-HA A 5.281 ambi=1 { CA:54.843 } ::sumAvg: 4.385 atom: 535 66L-HA A 5.281 ambi=1 { CA:54.843 } atom: 525 65E-HA A 5.687 ambi=1 { CA:52.424 } ::sumAvg: 4.385 atom: 536 66L-HB2 B 1.961 ambi=2 { CB:42.475 } atom: 525 65E-HA A 5.687 ambi=1 { CA:52.424 } :: atom: 537 66L-HB3 B 1.73 ambi=2 { CB:42.475 } atom: 525 65E-HA A 5.687 ambi=1 { CA:52.424 } ::sumAvg: 4.395 atom: 525 65E-HA A 5.687 ambi=1 { CA:52.424 } atom: 539 66L-HD1 D1 1.199 ambi=2 { CD1:23.662 } :: atom: 525 65E-HA A 5.687 ambi=1 { CA:52.424 } atom: 540 66L-HD2 D2 1.17 ambi=2 { CD2:25.408 } ::sumAvg: 4.48 atom: 539 66L-HD1 D1 1.199 ambi=2 { CD1:23.662 } atom: 525 65E-HA A 5.687 ambi=1 { CA:52.424 } :: atom: 540 66L-HD2 D2 1.17 ambi=2 { CD2:25.408 } atom: 525 65E-HA A 5.687 ambi=1 { CA:52.424 } ::sumAvg: 4.48 atom: 525 65E-HA A 5.687 ambi=1 { CA:52.424 } atom: 671 80L-HG G 1.584 ambi=1 { CG:26.77 } ::sumAvg: 4.95 atom: 671 80L-HG G 1.584 ambi=1 { CG:26.77 } atom: 525 65E-HA A 5.687 ambi=1 { CA:52.424 } ::sumAvg: 4.95 atom: 526 65E-HB2 B 2.037 ambi=2 { CB:32.962 } atom: 535 66L-HA A 5.281 ambi=1 { CA:54.843 } :: atom: 527 65E-HB3 B 1.943 ambi=2 { CB:32.962 } atom: 535 66L-HA A 5.281 ambi=1 { CA:54.843 } ::sumAvg: 4.82 atom: 526 65E-HB2 B 2.037 ambi=2 { CB:32.962 } atom: 661 79S-HA A 4.651 ambi=1 { CA:58.338 } :: atom: 527 65E-HB3 B 1.943 ambi=2 { CB:32.962 } atom: 661 79S-HA A 4.651 ambi=1 { CA:58.338 } ::sumAvg: 4.48 atom: 661 79S-HA A 4.651 ambi=1 { CA:58.338 } atom: 526 65E-HB2 B 2.037 ambi=2 { CB:32.962 } :: atom: 661 79S-HA A 4.651 ambi=1 { CA:58.338 } atom: 527 65E-HB3 B 1.943 ambi=2 { CB:32.962 } ::sumAvg: 4.48 atom: 526 65E-HB2 B 2.037 ambi=2 { CB:32.962 } atom: 668 80L-HA A 4.641 ambi=1 { CA:53.718 } :: atom: 527 65E-HB3 B 1.943 ambi=2 { CB:32.962 } atom: 668 80L-HA A 4.641 ambi=1 { CA:53.718 } ::sumAvg: 3.925 atom: 668 80L-HA A 4.641 ambi=1 { CA:53.718 } atom: 526 65E-HB2 B 2.037 ambi=2 { CB:32.962 } :: atom: 668 80L-HA A 4.641 ambi=1 { CA:53.718 } atom: 527 65E-HB3 B 1.943 ambi=2 { CB:32.962 } ::sumAvg: 3.925 atom: 526 65E-HB2 B 2.037 ambi=2 { CB:32.962 } atom: 671 80L-HG G 1.584 ambi=1 { CG:26.77 } ::sumAvg: 3.375 atom: 526 65E-HB2 B 2.037 ambi=2 { CB:32.962 } atom: 685 81P-HD2 D 3.948 ambi=2 { CD:50.355 } :: atom: 526 65E-HB2 B 2.037 ambi=2 { CB:32.962 } atom: 686 81P-HD3 D 3.767 ambi=2 { CD:50.355 } :: atom: 527 65E-HB3 B 1.943 ambi=2 { CB:32.962 } atom: 685 81P-HD2 D 3.948 ambi=2 { CD:50.355 } :: atom: 527 65E-HB3 B 1.943 ambi=2 { CB:32.962 } atom: 686 81P-HD3 D 3.767 ambi=2 { CD:50.355 } ::sumAvg: 4.85 atom: 529 65E-QG G 2.118 ambi=2 { CG:35.076 } atom: 535 66L-HA A 5.281 ambi=1 { CA:54.843 } ::sumAvg: 4.79 atom: 535 66L-HA A 5.281 ambi=1 { CA:54.843 } atom: 529 65E-QG G 2.118 ambi=2 { CG:35.076 } ::sumAvg: 4.79 atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } atom: 529 65E-QG G 2.118 ambi=2 { CG:35.076 } :: atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } atom: 529 65E-QG G 2.118 ambi=2 { CG:35.076 } ::sumAvg: 3.385 atom: 535 66L-HA A 5.281 ambi=1 { CA:54.843 } atom: 548 67T-HA A 4.373 ambi=1 { CA:61.589 } ::sumAvg: 4.36 atom: 548 67T-HA A 4.373 ambi=1 { CA:61.589 } atom: 535 66L-HA A 5.281 ambi=1 { CA:54.843 } ::sumAvg: 4.36 atom: 535 66L-HA A 5.281 ambi=1 { CA:54.843 } atom: 555 68A-H N 7.874 ambi=1 { N:123.002 } ::sumAvg: 4.06 atom: 535 66L-HA A 5.281 ambi=1 { CA:54.843 } atom: 642 77W-HB2 B 3.415 ambi=2 { CB:32.957 } :: atom: 535 66L-HA A 5.281 ambi=1 { CA:54.843 } atom: 643 77W-HB3 B 2.935 ambi=2 { CB:32.957 } ::sumAvg: 4.055 atom: 535 66L-HA A 5.281 ambi=1 { CA:54.843 } atom: 647 78R-H N 9.054 ambi=1 { N:116.175 } ::sumAvg: 3.61 atom: 649 78R-HB2 B 2.026 ambi=2 { CB:33.567 } atom: 535 66L-HA A 5.281 ambi=1 { CA:54.843 } :: atom: 650 78R-HB3 B 1.927 ambi=2 { CB:33.567 } atom: 535 66L-HA A 5.281 ambi=1 { CA:54.843 } ::sumAvg: 4.935 atom: 536 66L-HB2 B 1.961 ambi=2 { CB:42.475 } atom: 548 67T-HA A 4.373 ambi=1 { CA:61.589 } :: atom: 537 66L-HB3 B 1.73 ambi=2 { CB:42.475 } atom: 548 67T-HA A 4.373 ambi=1 { CA:61.589 } ::sumAvg: 4.905 atom: 536 66L-HB2 B 1.961 ambi=2 { CB:42.475 } atom: 563 69D-HB2 B 2.863 ambi=2 { CB:40.524 } :: atom: 536 66L-HB2 B 1.961 ambi=2 { CB:42.475 } atom: 564 69D-HB3 B 2.793 ambi=2 { CB:40.524 } :: atom: 537 66L-HB3 B 1.73 ambi=2 { CB:42.475 } atom: 563 69D-HB2 B 2.863 ambi=2 { CB:40.524 } :: atom: 537 66L-HB3 B 1.73 ambi=2 { CB:42.475 } atom: 564 69D-HB3 B 2.793 ambi=2 { CB:40.524 } ::sumAvg: 3.96 atom: 563 69D-HB2 B 2.863 ambi=2 { CB:40.524 } atom: 536 66L-HB2 B 1.961 ambi=2 { CB:42.475 } :: atom: 564 69D-HB3 B 2.793 ambi=2 { CB:40.524 } atom: 536 66L-HB2 B 1.961 ambi=2 { CB:42.475 } :: atom: 563 69D-HB2 B 2.863 ambi=2 { CB:40.524 } atom: 537 66L-HB3 B 1.73 ambi=2 { CB:42.475 } :: atom: 564 69D-HB3 B 2.793 ambi=2 { CB:40.524 } atom: 537 66L-HB3 B 1.73 ambi=2 { CB:42.475 } ::sumAvg: 3.96 atom: 536 66L-HB2 B 1.961 ambi=2 { CB:42.475 } atom: 641 77W-HA A 6.085 ambi=1 { CA:56.477 } :: atom: 537 66L-HB3 B 1.73 ambi=2 { CB:42.475 } atom: 641 77W-HA A 6.085 ambi=1 { CA:56.477 } ::sumAvg: 4.455 atom: 641 77W-HA A 6.085 ambi=1 { CA:56.477 } atom: 536 66L-HB2 B 1.961 ambi=2 { CB:42.475 } :: atom: 641 77W-HA A 6.085 ambi=1 { CA:56.477 } atom: 537 66L-HB3 B 1.73 ambi=2 { CB:42.475 } ::sumAvg: 4.455 atom: 538 66L-HG G 1.604 ambi=1 { CG:26.77 } atom: 563 69D-HB2 B 2.863 ambi=2 { CB:40.524 } :: atom: 538 66L-HG G 1.604 ambi=1 { CG:26.77 } atom: 564 69D-HB3 B 2.793 ambi=2 { CB:40.524 } ::sumAvg: 4.37 atom: 563 69D-HB2 B 2.863 ambi=2 { CB:40.524 } atom: 538 66L-HG G 1.604 ambi=1 { CG:26.77 } :: atom: 564 69D-HB3 B 2.793 ambi=2 { CB:40.524 } atom: 538 66L-HG G 1.604 ambi=1 { CG:26.77 } ::sumAvg: 4.37 atom: 538 66L-HG G 1.604 ambi=1 { CG:26.77 } atom: 641 77W-HA A 6.085 ambi=1 { CA:56.477 } ::sumAvg: 3.835 atom: 641 77W-HA A 6.085 ambi=1 { CA:56.477 } atom: 538 66L-HG G 1.604 ambi=1 { CG:26.77 } ::sumAvg: 3.835 atom: 538 66L-HG G 1.604 ambi=1 { CG:26.77 } atom: 642 77W-HB2 B 3.415 ambi=2 { CB:32.957 } :: atom: 538 66L-HG G 1.604 ambi=1 { CG:26.77 } atom: 643 77W-HB3 B 2.935 ambi=2 { CB:32.957 } ::sumAvg: 4.91 atom: 642 77W-HB2 B 3.415 ambi=2 { CB:32.957 } atom: 538 66L-HG G 1.604 ambi=1 { CG:26.77 } :: atom: 643 77W-HB3 B 2.935 ambi=2 { CB:32.957 } atom: 538 66L-HG G 1.604 ambi=1 { CG:26.77 } ::sumAvg: 4.91 atom: 538 66L-HG G 1.604 ambi=1 { CG:26.77 } atom: 647 78R-H N 9.054 ambi=1 { N:116.175 } ::sumAvg: 4.63 atom: 539 66L-HD1 D1 1.199 ambi=2 { CD1:23.662 } atom: 556 68A-HA A 4.511 ambi=1 { CA:52.68 } :: atom: 540 66L-HD2 D2 1.17 ambi=2 { CD2:25.408 } atom: 556 68A-HA A 4.511 ambi=1 { CA:52.68 } ::sumAvg: 4.875 atom: 556 68A-HA A 4.511 ambi=1 { CA:52.68 } atom: 539 66L-HD1 D1 1.199 ambi=2 { CD1:23.662 } :: atom: 556 68A-HA A 4.511 ambi=1 { CA:52.68 } atom: 540 66L-HD2 D2 1.17 ambi=2 { CD2:25.408 } ::sumAvg: 4.875 atom: 562 69D-HA A 5.298 ambi=1 { CA:54.246 } atom: 539 66L-HD1 D1 1.199 ambi=2 { CD1:23.662 } :: atom: 562 69D-HA A 5.298 ambi=1 { CA:54.246 } atom: 540 66L-HD2 D2 1.17 ambi=2 { CD2:25.408 } ::sumAvg: 3.735 atom: 539 66L-HD1 D1 1.199 ambi=2 { CD1:23.662 } atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } :: atom: 540 66L-HD2 D2 1.17 ambi=2 { CD2:25.408 } atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } ::sumAvg: 4.66 atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } atom: 539 66L-HD1 D1 1.199 ambi=2 { CD1:23.662 } :: atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } atom: 540 66L-HD2 D2 1.17 ambi=2 { CD2:25.408 } ::sumAvg: 4.66 atom: 539 66L-HD1 D1 1.199 ambi=2 { CD1:23.662 } atom: 623 75I-HB B 1.867 ambi=1 { CB:42.821 } :: atom: 540 66L-HD2 D2 1.17 ambi=2 { CD2:25.408 } atom: 623 75I-HB B 1.867 ambi=1 { CB:42.821 } ::sumAvg: 4.605 atom: 623 75I-HB B 1.867 ambi=1 { CB:42.821 } atom: 539 66L-HD1 D1 1.199 ambi=2 { CD1:23.662 } :: atom: 623 75I-HB B 1.867 ambi=1 { CB:42.821 } atom: 540 66L-HD2 D2 1.17 ambi=2 { CD2:25.408 } ::sumAvg: 4.605 atom: 539 66L-HD1 D1 1.199 ambi=2 { CD1:23.662 } atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } :: atom: 540 66L-HD2 D2 1.17 ambi=2 { CD2:25.408 } atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } ::sumAvg: 4.605 atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } atom: 539 66L-HD1 D1 1.199 ambi=2 { CD1:23.662 } :: atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } atom: 540 66L-HD2 D2 1.17 ambi=2 { CD2:25.408 } ::sumAvg: 4.605 atom: 539 66L-HD1 D1 1.199 ambi=2 { CD1:23.662 } atom: 640 77W-H N 8.568 ambi=1 { N:118.03 } :: atom: 540 66L-HD2 D2 1.17 ambi=2 { CD2:25.408 } atom: 640 77W-H N 8.568 ambi=1 { N:118.03 } ::sumAvg: 4.38 atom: 556 68A-HA A 4.511 ambi=1 { CA:52.68 } atom: 547 67T-H N 9.274 ambi=1 { N:117.223 } ::sumAvg: 4.905 atom: 649 78R-HB2 B 2.026 ambi=2 { CB:33.567 } atom: 547 67T-H N 9.274 ambi=1 { N:117.223 } :: atom: 650 78R-HB3 B 1.927 ambi=2 { CB:33.567 } atom: 547 67T-H N 9.274 ambi=1 { N:117.223 } ::sumAvg: 4.83 atom: 548 67T-HA A 4.373 ambi=1 { CA:61.589 } atom: 557 68A-HB B 1.357 ambi=1 { CB:22.064 } ::sumAvg: 4.67 atom: 557 68A-HB B 1.357 ambi=1 { CB:22.064 } atom: 548 67T-HA A 4.373 ambi=1 { CA:61.589 } ::sumAvg: 4.67 atom: 549 67T-HB B 4.279 ambi=1 { CB:68.421 } atom: 557 68A-HB B 1.357 ambi=1 { CB:22.064 } ::sumAvg: 3.82 atom: 557 68A-HB B 1.357 ambi=1 { CB:22.064 } atom: 549 67T-HB B 4.279 ambi=1 { CB:68.421 } ::sumAvg: 3.82 atom: 549 67T-HB B 4.279 ambi=1 { CB:68.421 } atom: 634 76A-H N 9.074 ambi=1 { N:127.321 } ::sumAvg: 4.33 atom: 549 67T-HB B 4.279 ambi=1 { CB:68.421 } atom: 636 76A-HB B 1.363 ambi=1 { CB:23.189 } ::sumAvg: 3.33 atom: 550 67T-HG2 G2 1.163 ambi=1 { CG2:22.639 } atom: 556 68A-HA A 4.511 ambi=1 { CA:52.68 } ::sumAvg: 4.525 atom: 556 68A-HA A 4.511 ambi=1 { CA:52.68 } atom: 550 67T-HG2 G2 1.163 ambi=1 { CG2:22.639 } ::sumAvg: 4.525 atom: 653 78R-HD2 D 3.188 ambi=2 { CD:43.1 } atom: 550 67T-HG2 G2 1.163 ambi=1 { CG2:22.639 } :: atom: 654 78R-HD3 D 3.107 ambi=2 { CD:43.1 } atom: 550 67T-HG2 G2 1.163 ambi=1 { CG2:22.639 } ::sumAvg: 4.545 atom: 562 69D-HA A 5.298 ambi=1 { CA:54.246 } atom: 555 68A-H N 7.874 ambi=1 { N:123.002 } ::sumAvg: 4.8 atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } atom: 555 68A-H N 7.874 ambi=1 { N:123.002 } ::sumAvg: 4.16 atom: 626 75I-HG2 G2 1.341 ambi=1 { CG2:17.944 } atom: 555 68A-H N 7.874 ambi=1 { N:123.002 } ::sumAvg: 4.42 atom: 556 68A-HA A 4.511 ambi=1 { CA:52.68 } atom: 562 69D-HA A 5.298 ambi=1 { CA:54.246 } ::sumAvg: 4.4 atom: 562 69D-HA A 5.298 ambi=1 { CA:54.246 } atom: 556 68A-HA A 4.511 ambi=1 { CA:52.68 } ::sumAvg: 4.4 atom: 556 68A-HA A 4.511 ambi=1 { CA:52.68 } atom: 563 69D-HB2 B 2.863 ambi=2 { CB:40.524 } :: atom: 556 68A-HA A 4.511 ambi=1 { CA:52.68 } atom: 564 69D-HB3 B 2.793 ambi=2 { CB:40.524 } ::sumAvg: 4.33 atom: 563 69D-HB2 B 2.863 ambi=2 { CB:40.524 } atom: 556 68A-HA A 4.511 ambi=1 { CA:52.68 } :: atom: 564 69D-HB3 B 2.793 ambi=2 { CB:40.524 } atom: 556 68A-HA A 4.511 ambi=1 { CA:52.68 } ::sumAvg: 4.33 atom: 556 68A-HA A 4.511 ambi=1 { CA:52.68 } atom: 568 70E-H N 9.509 ambi=1 { N:125.712 } ::sumAvg: 4.63 atom: 556 68A-HA A 4.511 ambi=1 { CA:52.68 } atom: 634 76A-H N 9.074 ambi=1 { N:127.321 } ::sumAvg: 4.865 atom: 562 69D-HA A 5.298 ambi=1 { CA:54.246 } atom: 557 68A-HB B 1.357 ambi=1 { CB:22.064 } ::sumAvg: 4.03 atom: 557 68A-HB B 1.357 ambi=1 { CB:22.064 } atom: 563 69D-HB2 B 2.863 ambi=2 { CB:40.524 } :: atom: 557 68A-HB B 1.357 ambi=1 { CB:22.064 } atom: 564 69D-HB3 B 2.793 ambi=2 { CB:40.524 } ::sumAvg: 4.89 atom: 563 69D-HB2 B 2.863 ambi=2 { CB:40.524 } atom: 557 68A-HB B 1.357 ambi=1 { CB:22.064 } :: atom: 564 69D-HB3 B 2.793 ambi=2 { CB:40.524 } atom: 557 68A-HB B 1.357 ambi=1 { CB:22.064 } ::sumAvg: 4.89 atom: 557 68A-HB B 1.357 ambi=1 { CB:22.064 } atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } :: atom: 557 68A-HB B 1.357 ambi=1 { CB:22.064 } atom: 571 70E-HB3 B 2.003 ambi=2 { CB:31.232 } ::sumAvg: 4.315 atom: 557 68A-HB B 1.357 ambi=1 { CB:22.064 } atom: 608 74R-H N 8.953 ambi=1 { N:120.448 } ::sumAvg: 4.775 atom: 557 68A-HB B 1.357 ambi=1 { CB:22.064 } atom: 611 74R-QB B 1.774 ambi=2 { CB:33.913 } ::sumAvg: 3.915 atom: 557 68A-HB B 1.357 ambi=1 { CB:22.064 } atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } ::sumAvg: 3.01 atom: 557 68A-HB B 1.357 ambi=1 { CB:22.064 } atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } ::sumAvg: 4.985 atom: 569 70E-HA A 4.993 ambi=1 { CA:51.809 } atom: 561 69D-H N 8.704 ambi=1 { N:119.482 } ::sumAvg: 4.45 atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } atom: 561 69D-H N 8.704 ambi=1 { N:119.482 } :: atom: 571 70E-HB3 B 2.003 ambi=2 { CB:31.232 } atom: 561 69D-H N 8.704 ambi=1 { N:119.482 } ::sumAvg: 4.83 atom: 572 70E-HG2 G 2.316 ambi=2 { CG:35.241 } atom: 561 69D-H N 8.704 ambi=1 { N:119.482 } :: atom: 573 70E-HG3 G 2.228 ambi=2 { CG:35.241 } atom: 561 69D-H N 8.704 ambi=1 { N:119.482 } ::sumAvg: 4.725 atom: 562 69D-HA A 5.298 ambi=1 { CA:54.246 } atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } :: atom: 562 69D-HA A 5.298 ambi=1 { CA:54.246 } atom: 571 70E-HB3 B 2.003 ambi=2 { CB:31.232 } ::sumAvg: 4.97 atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } atom: 562 69D-HA A 5.298 ambi=1 { CA:54.246 } :: atom: 571 70E-HB3 B 2.003 ambi=2 { CB:31.232 } atom: 562 69D-HA A 5.298 ambi=1 { CA:54.246 } ::sumAvg: 4.97 atom: 562 69D-HA A 5.298 ambi=1 { CA:54.246 } atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } ::sumAvg: 3.985 atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } atom: 562 69D-HA A 5.298 ambi=1 { CA:54.246 } ::sumAvg: 3.985 atom: 562 69D-HA A 5.298 ambi=1 { CA:54.246 } atom: 623 75I-HB B 1.867 ambi=1 { CB:42.821 } ::sumAvg: 4.685 atom: 623 75I-HB B 1.867 ambi=1 { CB:42.821 } atom: 562 69D-HA A 5.298 ambi=1 { CA:54.246 } ::sumAvg: 4.685 atom: 562 69D-HA A 5.298 ambi=1 { CA:54.246 } atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } ::sumAvg: 3.45 atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } atom: 562 69D-HA A 5.298 ambi=1 { CA:54.246 } ::sumAvg: 3.45 atom: 562 69D-HA A 5.298 ambi=1 { CA:54.246 } atom: 626 75I-HG2 G2 1.341 ambi=1 { CG2:17.944 } ::sumAvg: 3.965 atom: 562 69D-HA A 5.298 ambi=1 { CA:54.246 } atom: 627 75I-HD1 D1 0.912 ambi=1 { CD1:15.093 } ::sumAvg: 3.45 atom: 627 75I-HD1 D1 0.912 ambi=1 { CD1:15.093 } atom: 562 69D-HA A 5.298 ambi=1 { CA:54.246 } ::sumAvg: 3.45 atom: 563 69D-HB2 B 2.863 ambi=2 { CB:40.524 } atom: 569 70E-HA A 4.993 ambi=1 { CA:51.809 } :: atom: 564 69D-HB3 B 2.793 ambi=2 { CB:40.524 } atom: 569 70E-HA A 4.993 ambi=1 { CA:51.809 } ::sumAvg: 4.935 atom: 569 70E-HA A 4.993 ambi=1 { CA:51.809 } atom: 563 69D-HB2 B 2.863 ambi=2 { CB:40.524 } :: atom: 569 70E-HA A 4.993 ambi=1 { CA:51.809 } atom: 564 69D-HB3 B 2.793 ambi=2 { CB:40.524 } ::sumAvg: 4.935 atom: 563 69D-HB2 B 2.863 ambi=2 { CB:40.524 } atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } :: atom: 564 69D-HB3 B 2.793 ambi=2 { CB:40.524 } atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } ::sumAvg: 4.945 atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } atom: 563 69D-HB2 B 2.863 ambi=2 { CB:40.524 } :: atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } atom: 564 69D-HB3 B 2.793 ambi=2 { CB:40.524 } ::sumAvg: 4.945 atom: 583 71P-HD2 D 3.956 ambi=2 { CD:50.355 } atom: 568 70E-H N 9.509 ambi=1 { N:125.712 } :: atom: 584 71P-HD3 D 3.724 ambi=2 { CD:50.355 } atom: 568 70E-H N 9.509 ambi=1 { N:125.712 } ::sumAvg: 4.065 atom: 594 73K-HB2 B 1.843 ambi=2 { CB:36.594 } atom: 568 70E-H N 9.509 ambi=1 { N:125.712 } :: atom: 595 73K-HB3 B 1.614 ambi=2 { CB:36.594 } atom: 568 70E-H N 9.509 ambi=1 { N:125.712 } ::sumAvg: 4.83 atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } atom: 568 70E-H N 9.509 ambi=1 { N:125.712 } ::sumAvg: 3.67 atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } atom: 568 70E-H N 9.509 ambi=1 { N:125.712 } ::sumAvg: 3.415 atom: 626 75I-HG2 G2 1.341 ambi=1 { CG2:17.944 } atom: 568 70E-H N 9.509 ambi=1 { N:125.712 } ::sumAvg: 3.95 atom: 627 75I-HD1 D1 0.912 ambi=1 { CD1:15.093 } atom: 568 70E-H N 9.509 ambi=1 { N:125.712 } ::sumAvg: 3.705 atom: 569 70E-HA A 4.993 ambi=1 { CA:51.809 } atom: 579 71P-QB B 1.929 ambi=2 { CB:31.634 } ::sumAvg: 4.665 atom: 579 71P-QB B 1.929 ambi=2 { CB:31.634 } atom: 569 70E-HA A 4.993 ambi=1 { CA:51.809 } ::sumAvg: 4.665 atom: 581 71P-HG2 G 2.102 ambi=2 { CG:27.813 } atom: 569 70E-HA A 4.993 ambi=1 { CA:51.809 } :: atom: 582 71P-HG3 G 2.087 ambi=2 { CG:27.813 } atom: 569 70E-HA A 4.993 ambi=1 { CA:51.809 } ::sumAvg: 4.32 atom: 569 70E-HA A 4.993 ambi=1 { CA:51.809 } atom: 583 71P-HD2 D 3.956 ambi=2 { CD:50.355 } :: atom: 569 70E-HA A 4.993 ambi=1 { CA:51.809 } atom: 584 71P-HD3 D 3.724 ambi=2 { CD:50.355 } ::sumAvg: 2.155 atom: 583 71P-HD2 D 3.956 ambi=2 { CD:50.355 } atom: 569 70E-HA A 4.993 ambi=1 { CA:51.809 } :: atom: 584 71P-HD3 D 3.724 ambi=2 { CD:50.355 } atom: 569 70E-HA A 4.993 ambi=1 { CA:51.809 } ::sumAvg: 2.155 atom: 569 70E-HA A 4.993 ambi=1 { CA:51.809 } atom: 592 73K-H N 8.345 ambi=1 { N:115.647 } ::sumAvg: 4.855 atom: 594 73K-HB2 B 1.843 ambi=2 { CB:36.594 } atom: 569 70E-HA A 4.993 ambi=1 { CA:51.809 } :: atom: 595 73K-HB3 B 1.614 ambi=2 { CB:36.594 } atom: 569 70E-HA A 4.993 ambi=1 { CA:51.809 } ::sumAvg: 4.585 atom: 569 70E-HA A 4.993 ambi=1 { CA:51.809 } atom: 608 74R-H N 8.953 ambi=1 { N:120.448 } ::sumAvg: 4.81 atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } atom: 592 73K-H N 8.345 ambi=1 { N:115.647 } :: atom: 571 70E-HB3 B 2.003 ambi=2 { CB:31.232 } atom: 592 73K-H N 8.345 ambi=1 { N:115.647 } ::sumAvg: 3.145 atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } atom: 593 73K-HA A 5.188 ambi=1 { CA:58.562 } :: atom: 571 70E-HB3 B 2.003 ambi=2 { CB:31.232 } atom: 593 73K-HA A 5.188 ambi=1 { CA:58.562 } ::sumAvg: 4.93 atom: 593 73K-HA A 5.188 ambi=1 { CA:58.562 } atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } :: atom: 593 73K-HA A 5.188 ambi=1 { CA:58.562 } atom: 571 70E-HB3 B 2.003 ambi=2 { CB:31.232 } ::sumAvg: 4.93 atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } atom: 595 73K-HB3 B 1.614 ambi=2 { CB:36.594 } ::sumAvg: 2.285 atom: 596 73K-HG2 G 1.399 ambi=2 { CG:24.91 } atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } :: atom: 597 73K-HG3 G 1.388 ambi=2 { CG:24.91 } atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } :: atom: 596 73K-HG2 G 1.399 ambi=2 { CG:24.91 } atom: 571 70E-HB3 B 2.003 ambi=2 { CB:31.232 } :: atom: 597 73K-HG3 G 1.388 ambi=2 { CG:24.91 } atom: 571 70E-HB3 B 2.003 ambi=2 { CB:31.232 } ::sumAvg: 3.585 atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } atom: 598 73K-HD2 D 1.704 ambi=2 { CD:28.918 } :: atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } atom: 599 73K-HD3 D 1.656 ambi=2 { CD:28.918 } ::sumAvg: 3.475 atom: 598 73K-HD2 D 1.704 ambi=2 { CD:28.918 } atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } :: atom: 599 73K-HD3 D 1.656 ambi=2 { CD:28.918 } atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } ::sumAvg: 3.475 atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } atom: 600 73K-QE E 2.9965 ambi=2 { CE:42.037 } :: atom: 571 70E-HB3 B 2.003 ambi=2 { CB:31.232 } atom: 600 73K-QE E 2.9965 ambi=2 { CE:42.037 } ::sumAvg: 4.84 atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } atom: 612 74R-HG2 G 1.497 ambi=2 { CG:28.035 } :: atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } atom: 613 74R-HG3 G 1.177 ambi=2 { CG:28.035 } :: atom: 571 70E-HB3 B 2.003 ambi=2 { CB:31.232 } atom: 612 74R-HG2 G 1.497 ambi=2 { CG:28.035 } :: atom: 571 70E-HB3 B 2.003 ambi=2 { CB:31.232 } atom: 613 74R-HG3 G 1.177 ambi=2 { CG:28.035 } ::sumAvg: 4.43 atom: 612 74R-HG2 G 1.497 ambi=2 { CG:28.035 } atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } :: atom: 613 74R-HG3 G 1.177 ambi=2 { CG:28.035 } atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } :: atom: 612 74R-HG2 G 1.497 ambi=2 { CG:28.035 } atom: 571 70E-HB3 B 2.003 ambi=2 { CB:31.232 } :: atom: 613 74R-HG3 G 1.177 ambi=2 { CG:28.035 } atom: 571 70E-HB3 B 2.003 ambi=2 { CB:31.232 } ::sumAvg: 4.43 atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } :: atom: 571 70E-HB3 B 2.003 ambi=2 { CB:31.232 } atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } ::sumAvg: 4.89 atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } :: atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } atom: 571 70E-HB3 B 2.003 ambi=2 { CB:31.232 } ::sumAvg: 4.89 atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } :: atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } atom: 571 70E-HB3 B 2.003 ambi=2 { CB:31.232 } ::sumAvg: 4.355 atom: 570 70E-HB2 B 2.152 ambi=2 { CB:31.232 } atom: 627 75I-HD1 D1 0.912 ambi=1 { CD1:15.093 } :: atom: 571 70E-HB3 B 2.003 ambi=2 { CB:31.232 } atom: 627 75I-HD1 D1 0.912 ambi=1 { CD1:15.093 } ::sumAvg: 4.88 atom: 572 70E-HG2 G 2.316 ambi=2 { CG:35.241 } atom: 594 73K-HB2 B 1.843 ambi=2 { CB:36.594 } :: atom: 572 70E-HG2 G 2.316 ambi=2 { CG:35.241 } atom: 595 73K-HB3 B 1.614 ambi=2 { CB:36.594 } :: atom: 573 70E-HG3 G 2.228 ambi=2 { CG:35.241 } atom: 595 73K-HB3 B 1.614 ambi=2 { CB:36.594 } ::sumAvg: 3.37 atom: 594 73K-HB2 B 1.843 ambi=2 { CB:36.594 } atom: 572 70E-HG2 G 2.316 ambi=2 { CG:35.241 } :: atom: 595 73K-HB3 B 1.614 ambi=2 { CB:36.594 } atom: 572 70E-HG2 G 2.316 ambi=2 { CG:35.241 } :: atom: 595 73K-HB3 B 1.614 ambi=2 { CB:36.594 } atom: 573 70E-HG3 G 2.228 ambi=2 { CG:35.241 } ::sumAvg: 3.37 atom: 572 70E-HG2 G 2.316 ambi=2 { CG:35.241 } atom: 598 73K-HD2 D 1.704 ambi=2 { CD:28.918 } :: atom: 572 70E-HG2 G 2.316 ambi=2 { CG:35.241 } atom: 599 73K-HD3 D 1.656 ambi=2 { CD:28.918 } :: atom: 573 70E-HG3 G 2.228 ambi=2 { CG:35.241 } atom: 598 73K-HD2 D 1.704 ambi=2 { CD:28.918 } :: atom: 573 70E-HG3 G 2.228 ambi=2 { CG:35.241 } atom: 599 73K-HD3 D 1.656 ambi=2 { CD:28.918 } ::sumAvg: 3.76 atom: 598 73K-HD2 D 1.704 ambi=2 { CD:28.918 } atom: 572 70E-HG2 G 2.316 ambi=2 { CG:35.241 } :: atom: 599 73K-HD3 D 1.656 ambi=2 { CD:28.918 } atom: 572 70E-HG2 G 2.316 ambi=2 { CG:35.241 } :: atom: 598 73K-HD2 D 1.704 ambi=2 { CD:28.918 } atom: 573 70E-HG3 G 2.228 ambi=2 { CG:35.241 } :: atom: 599 73K-HD3 D 1.656 ambi=2 { CD:28.918 } atom: 573 70E-HG3 G 2.228 ambi=2 { CG:35.241 } ::sumAvg: 3.76 atom: 572 70E-HG2 G 2.316 ambi=2 { CG:35.241 } atom: 600 73K-QE E 2.9965 ambi=2 { CE:42.037 } :: atom: 573 70E-HG3 G 2.228 ambi=2 { CG:35.241 } atom: 600 73K-QE E 2.9965 ambi=2 { CE:42.037 } ::sumAvg: 4.655 atom: 600 73K-QE E 2.9965 ambi=2 { CE:42.037 } atom: 572 70E-HG2 G 2.316 ambi=2 { CG:35.241 } :: atom: 600 73K-QE E 2.9965 ambi=2 { CE:42.037 } atom: 573 70E-HG3 G 2.228 ambi=2 { CG:35.241 } ::sumAvg: 4.655 atom: 572 70E-HG2 G 2.316 ambi=2 { CG:35.241 } atom: 611 74R-QB B 1.774 ambi=2 { CB:33.913 } :: atom: 573 70E-HG3 G 2.228 ambi=2 { CG:35.241 } atom: 611 74R-QB B 1.774 ambi=2 { CB:33.913 } ::sumAvg: 4.78 atom: 611 74R-QB B 1.774 ambi=2 { CB:33.913 } atom: 572 70E-HG2 G 2.316 ambi=2 { CG:35.241 } :: atom: 611 74R-QB B 1.774 ambi=2 { CB:33.913 } atom: 573 70E-HG3 G 2.228 ambi=2 { CG:35.241 } ::sumAvg: 4.78 atom: 589 72G-HA2 A 3.95 ambi=2 { CA:45.502 } atom: 578 71P-HA A 4.703 ambi=1 { CA:63.3 } :: atom: 590 72G-HA3 A 2.762 ambi=2 { CA:45.502 } atom: 578 71P-HA A 4.703 ambi=1 { CA:63.3 } ::sumAvg: 4.47 atom: 578 71P-HA A 4.703 ambi=1 { CA:63.3 } atom: 627 75I-HD1 D1 0.912 ambi=1 { CD1:15.093 } ::sumAvg: 4.52 atom: 627 75I-HD1 D1 0.912 ambi=1 { CD1:15.093 } atom: 578 71P-HA A 4.703 ambi=1 { CA:63.3 } ::sumAvg: 4.52 atom: 594 73K-HB2 B 1.843 ambi=2 { CB:36.594 } atom: 583 71P-HD2 D 3.956 ambi=2 { CD:50.355 } :: atom: 595 73K-HB3 B 1.614 ambi=2 { CB:36.594 } atom: 583 71P-HD2 D 3.956 ambi=2 { CD:50.355 } :: atom: 594 73K-HB2 B 1.843 ambi=2 { CB:36.594 } atom: 584 71P-HD3 D 3.724 ambi=2 { CD:50.355 } :: atom: 595 73K-HB3 B 1.614 ambi=2 { CB:36.594 } atom: 584 71P-HD3 D 3.724 ambi=2 { CD:50.355 } ::sumAvg: 4.925 atom: 589 72G-HA2 A 3.95 ambi=2 { CA:45.502 } atom: 593 73K-HA A 5.188 ambi=1 { CA:58.562 } :: atom: 590 72G-HA3 A 2.762 ambi=2 { CA:45.502 } atom: 593 73K-HA A 5.188 ambi=1 { CA:58.562 } ::sumAvg: 4.41 atom: 593 73K-HA A 5.188 ambi=1 { CA:58.562 } atom: 589 72G-HA2 A 3.95 ambi=2 { CA:45.502 } :: atom: 593 73K-HA A 5.188 ambi=1 { CA:58.562 } atom: 590 72G-HA3 A 2.762 ambi=2 { CA:45.502 } ::sumAvg: 4.41 atom: 589 72G-HA2 A 3.95 ambi=2 { CA:45.502 } atom: 594 73K-HB2 B 1.843 ambi=2 { CB:36.594 } :: atom: 589 72G-HA2 A 3.95 ambi=2 { CA:45.502 } atom: 595 73K-HB3 B 1.614 ambi=2 { CB:36.594 } :: atom: 590 72G-HA3 A 2.762 ambi=2 { CA:45.502 } atom: 594 73K-HB2 B 1.843 ambi=2 { CB:36.594 } :: atom: 590 72G-HA3 A 2.762 ambi=2 { CA:45.502 } atom: 595 73K-HB3 B 1.614 ambi=2 { CB:36.594 } ::sumAvg: 4.98 atom: 594 73K-HB2 B 1.843 ambi=2 { CB:36.594 } atom: 589 72G-HA2 A 3.95 ambi=2 { CA:45.502 } :: atom: 595 73K-HB3 B 1.614 ambi=2 { CB:36.594 } atom: 589 72G-HA2 A 3.95 ambi=2 { CA:45.502 } :: atom: 594 73K-HB2 B 1.843 ambi=2 { CB:36.594 } atom: 590 72G-HA3 A 2.762 ambi=2 { CA:45.502 } :: atom: 595 73K-HB3 B 1.614 ambi=2 { CB:36.594 } atom: 590 72G-HA3 A 2.762 ambi=2 { CA:45.502 } ::sumAvg: 4.98 atom: 589 72G-HA2 A 3.95 ambi=2 { CA:45.502 } atom: 775 93F-HB2 B 3.076 ambi=2 { CB:40.313 } :: atom: 589 72G-HA2 A 3.95 ambi=2 { CA:45.502 } atom: 776 93F-HB3 B 2.639 ambi=2 { CB:40.313 } ::sumAvg: 3.38 atom: 775 93F-HB2 B 3.076 ambi=2 { CB:40.313 } atom: 589 72G-HA2 A 3.95 ambi=2 { CA:45.502 } :: atom: 776 93F-HB3 B 2.639 ambi=2 { CB:40.313 } atom: 589 72G-HA2 A 3.95 ambi=2 { CA:45.502 } ::sumAvg: 3.38 atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } atom: 592 73K-H N 8.345 ambi=1 { N:115.647 } ::sumAvg: 4.48 atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } atom: 592 73K-H N 8.345 ambi=1 { N:115.647 } ::sumAvg: 3.8 atom: 593 73K-HA A 5.188 ambi=1 { CA:58.562 } atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } ::sumAvg: 4.615 atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } atom: 593 73K-HA A 5.188 ambi=1 { CA:58.562 } ::sumAvg: 4.615 atom: 593 73K-HA A 5.188 ambi=1 { CA:58.562 } atom: 611 74R-QB B 1.774 ambi=2 { CB:33.913 } ::sumAvg: 4.34 atom: 611 74R-QB B 1.774 ambi=2 { CB:33.913 } atom: 593 73K-HA A 5.188 ambi=1 { CA:58.562 } ::sumAvg: 4.34 atom: 593 73K-HA A 5.188 ambi=1 { CA:58.562 } atom: 765 92L-HD1 D1 0.802 ambi=2 { CD1:23.617 } :: atom: 593 73K-HA A 5.188 ambi=1 { CA:58.562 } atom: 766 92L-HD2 D2 0.732 ambi=2 { CD2:24.75 } ::sumAvg: 4.88 atom: 765 92L-HD1 D1 0.802 ambi=2 { CD1:23.617 } atom: 593 73K-HA A 5.188 ambi=1 { CA:58.562 } :: atom: 766 92L-HD2 D2 0.732 ambi=2 { CD2:24.75 } atom: 593 73K-HA A 5.188 ambi=1 { CA:58.562 } ::sumAvg: 4.88 atom: 593 73K-HA A 5.188 ambi=1 { CA:58.562 } atom: 773 93F-H N 8.005 ambi=1 { N:117.732 } ::sumAvg: 3.74 atom: 775 93F-HB2 B 3.076 ambi=2 { CB:40.313 } atom: 593 73K-HA A 5.188 ambi=1 { CA:58.562 } :: atom: 776 93F-HB3 B 2.639 ambi=2 { CB:40.313 } atom: 593 73K-HA A 5.188 ambi=1 { CA:58.562 } ::sumAvg: 3.295 atom: 593 73K-HA A 5.188 ambi=1 { CA:58.562 } atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } ::sumAvg: 4.33 atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } atom: 593 73K-HA A 5.188 ambi=1 { CA:58.562 } ::sumAvg: 4.33 atom: 594 73K-HB2 B 1.843 ambi=2 { CB:36.594 } atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } :: atom: 595 73K-HB3 B 1.614 ambi=2 { CB:36.594 } atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } ::sumAvg: 4.665 atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } atom: 594 73K-HB2 B 1.843 ambi=2 { CB:36.594 } :: atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } atom: 595 73K-HB3 B 1.614 ambi=2 { CB:36.594 } ::sumAvg: 4.665 atom: 594 73K-HB2 B 1.843 ambi=2 { CB:36.594 } atom: 613 74R-HG3 G 1.177 ambi=2 { CG:28.035 } :: atom: 595 73K-HB3 B 1.614 ambi=2 { CB:36.594 } atom: 613 74R-HG3 G 1.177 ambi=2 { CG:28.035 } ::sumAvg: 4.47 atom: 613 74R-HG3 G 1.177 ambi=2 { CG:28.035 } atom: 594 73K-HB2 B 1.843 ambi=2 { CB:36.594 } :: atom: 613 74R-HG3 G 1.177 ambi=2 { CG:28.035 } atom: 595 73K-HB3 B 1.614 ambi=2 { CB:36.594 } ::sumAvg: 4.47 atom: 594 73K-HB2 B 1.843 ambi=2 { CB:36.594 } atom: 614 74R-QD D 3.05 ambi=2 { CD:43.35 } :: atom: 595 73K-HB3 B 1.614 ambi=2 { CB:36.594 } atom: 614 74R-QD D 3.05 ambi=2 { CD:43.35 } ::sumAvg: 4.94 atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } atom: 608 74R-H N 8.953 ambi=1 { N:120.448 } ::sumAvg: 4.71 atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } atom: 608 74R-H N 8.953 ambi=1 { N:120.448 } ::sumAvg: 4.69 atom: 775 93F-HB2 B 3.076 ambi=2 { CB:40.313 } atom: 608 74R-H N 8.953 ambi=1 { N:120.448 } :: atom: 776 93F-HB3 B 2.639 ambi=2 { CB:40.313 } atom: 608 74R-H N 8.953 ambi=1 { N:120.448 } ::sumAvg: 4.935 atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } atom: 608 74R-H N 8.953 ambi=1 { N:120.448 } ::sumAvg: 4.18 atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } ::sumAvg: 4.41 atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } ::sumAvg: 4.41 atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } ::sumAvg: 4.585 atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } ::sumAvg: 4.585 atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } atom: 626 75I-HG2 G2 1.341 ambi=1 { CG2:17.944 } ::sumAvg: 4.565 atom: 626 75I-HG2 G2 1.341 ambi=1 { CG2:17.944 } atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } ::sumAvg: 4.565 atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } atom: 750 91V-H N 9.261 ambi=1 { N:125.403 } ::sumAvg: 4.88 atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 4.335 atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } :: atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } ::sumAvg: 4.335 atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } atom: 760 92L-H N 8.737 ambi=1 { N:125.079 } ::sumAvg: 4.975 atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } atom: 761 92L-HA A 4.939 ambi=1 { CA:52.248 } ::sumAvg: 2.545 atom: 761 92L-HA A 4.939 ambi=1 { CA:52.248 } atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } ::sumAvg: 2.545 atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } atom: 763 92L-QB B 1.4025 ambi=2 { CB:45.243 } ::sumAvg: 4.2 atom: 763 92L-QB B 1.4025 ambi=2 { CB:45.243 } atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } ::sumAvg: 4.2 atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } atom: 765 92L-HD1 D1 0.802 ambi=2 { CD1:23.617 } :: atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } atom: 766 92L-HD2 D2 0.732 ambi=2 { CD2:24.75 } ::sumAvg: 3.395 atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } atom: 773 93F-H N 8.005 ambi=1 { N:117.732 } ::sumAvg: 3.17 atom: 775 93F-HB2 B 3.076 ambi=2 { CB:40.313 } atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } :: atom: 776 93F-HB3 B 2.639 ambi=2 { CB:40.313 } atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } ::sumAvg: 4.385 atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } ::sumAvg: 3.44 atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } atom: 609 74R-HA A 5.692 ambi=1 { CA:56.745 } ::sumAvg: 3.44 atom: 611 74R-QB B 1.774 ambi=2 { CB:33.913 } atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } ::sumAvg: 4.395 atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } atom: 611 74R-QB B 1.774 ambi=2 { CB:33.913 } ::sumAvg: 4.395 atom: 611 74R-QB B 1.774 ambi=2 { CB:33.913 } atom: 761 92L-HA A 4.939 ambi=1 { CA:52.248 } ::sumAvg: 2.895 atom: 611 74R-QB B 1.774 ambi=2 { CB:33.913 } atom: 773 93F-H N 8.005 ambi=1 { N:117.732 } ::sumAvg: 3.525 atom: 611 74R-QB B 1.774 ambi=2 { CB:33.913 } atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } ::sumAvg: 4.765 atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } atom: 611 74R-QB B 1.774 ambi=2 { CB:33.913 } ::sumAvg: 4.765 atom: 612 74R-HG2 G 1.497 ambi=2 { CG:28.035 } atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } :: atom: 613 74R-HG3 G 1.177 ambi=2 { CG:28.035 } atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } ::sumAvg: 3.97 atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } atom: 612 74R-HG2 G 1.497 ambi=2 { CG:28.035 } :: atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } atom: 613 74R-HG3 G 1.177 ambi=2 { CG:28.035 } ::sumAvg: 3.97 atom: 746 90E-QG G 1.9395 ambi=2 { CG:36.335 } atom: 612 74R-HG2 G 1.497 ambi=2 { CG:28.035 } :: atom: 746 90E-QG G 1.9395 ambi=2 { CG:36.335 } atom: 613 74R-HG3 G 1.177 ambi=2 { CG:28.035 } ::sumAvg: 4.945 atom: 612 74R-HG2 G 1.497 ambi=2 { CG:28.035 } atom: 761 92L-HA A 4.939 ambi=1 { CA:52.248 } :: atom: 613 74R-HG3 G 1.177 ambi=2 { CG:28.035 } atom: 761 92L-HA A 4.939 ambi=1 { CA:52.248 } ::sumAvg: 3.94 atom: 636 76A-HB B 1.363 ambi=1 { CB:23.189 } atom: 614 74R-QD D 3.05 ambi=2 { CD:43.35 } ::sumAvg: 4.33 atom: 746 90E-QG G 1.9395 ambi=2 { CG:36.335 } atom: 614 74R-QD D 3.05 ambi=2 { CD:43.35 } ::sumAvg: 4.565 atom: 763 92L-QB B 1.4025 ambi=2 { CB:45.243 } atom: 614 74R-QD D 3.05 ambi=2 { CD:43.35 } ::sumAvg: 4.07 atom: 751 91V-HA A 4.8 ambi=1 { CA:59.599 } atom: 621 75I-H N 9.045 ambi=1 { N:124.647 } ::sumAvg: 4.895 atom: 752 91V-HB B 1.403 ambi=1 { CB:33.653 } atom: 621 75I-H N 9.045 ambi=1 { N:124.647 } ::sumAvg: 4.08 atom: 761 92L-HA A 4.939 ambi=1 { CA:52.248 } atom: 621 75I-H N 9.045 ambi=1 { N:124.647 } ::sumAvg: 3.705 atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } atom: 621 75I-H N 9.045 ambi=1 { N:124.647 } ::sumAvg: 4.545 atom: 636 76A-HB B 1.363 ambi=1 { CB:23.189 } atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } ::sumAvg: 3.885 atom: 622 75I-HA A 4.852 ambi=1 { CA:60.724 } atom: 750 91V-H N 9.261 ambi=1 { N:125.403 } ::sumAvg: 4.8 atom: 623 75I-HB B 1.867 ambi=1 { CB:42.821 } atom: 750 91V-H N 9.261 ambi=1 { N:125.403 } ::sumAvg: 4.275 atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } ::sumAvg: 4.73 atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } atom: 750 91V-H N 9.261 ambi=1 { N:125.403 } ::sumAvg: 4 atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 625 75I-QG1 G1 1.3585 ambi=2 { CG1:28.473 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 4.255 atom: 626 75I-HG2 G2 1.341 ambi=1 { CG2:17.944 } atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } ::sumAvg: 4.365 atom: 626 75I-HG2 G2 1.341 ambi=1 { CG2:17.944 } atom: 642 77W-HB2 B 3.415 ambi=2 { CB:32.957 } :: atom: 626 75I-HG2 G2 1.341 ambi=1 { CG2:17.944 } atom: 643 77W-HB3 B 2.935 ambi=2 { CB:32.957 } ::sumAvg: 4.685 atom: 642 77W-HB2 B 3.415 ambi=2 { CB:32.957 } atom: 626 75I-HG2 G2 1.341 ambi=1 { CG2:17.944 } :: atom: 643 77W-HB3 B 2.935 ambi=2 { CB:32.957 } atom: 626 75I-HG2 G2 1.341 ambi=1 { CG2:17.944 } ::sumAvg: 4.685 atom: 626 75I-HG2 G2 1.341 ambi=1 { CG2:17.944 } atom: 742 90E-HA A 4.783 ambi=1 { CA:54.843 } ::sumAvg: 4.76 atom: 742 90E-HA A 4.783 ambi=1 { CA:54.843 } atom: 626 75I-HG2 G2 1.341 ambi=1 { CG2:17.944 } ::sumAvg: 4.76 atom: 626 75I-HG2 G2 1.341 ambi=1 { CG2:17.944 } atom: 750 91V-H N 9.261 ambi=1 { N:125.403 } ::sumAvg: 3.64 atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } atom: 626 75I-HG2 G2 1.341 ambi=1 { CG2:17.944 } :: atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } atom: 626 75I-HG2 G2 1.341 ambi=1 { CG2:17.944 } ::sumAvg: 3.88 atom: 627 75I-HD1 D1 0.912 ambi=1 { CD1:15.093 } atom: 750 91V-H N 9.261 ambi=1 { N:125.403 } ::sumAvg: 4.955 atom: 742 90E-HA A 4.783 ambi=1 { CA:54.843 } atom: 634 76A-H N 9.074 ambi=1 { N:127.321 } ::sumAvg: 4.905 atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } atom: 641 77W-HA A 6.085 ambi=1 { CA:56.477 } ::sumAvg: 4.36 atom: 641 77W-HA A 6.085 ambi=1 { CA:56.477 } atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } ::sumAvg: 4.36 atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } atom: 642 77W-HB2 B 3.415 ambi=2 { CB:32.957 } :: atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } atom: 643 77W-HB3 B 2.935 ambi=2 { CB:32.957 } ::sumAvg: 4.375 atom: 642 77W-HB2 B 3.415 ambi=2 { CB:32.957 } atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } :: atom: 643 77W-HB3 B 2.935 ambi=2 { CB:32.957 } atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } ::sumAvg: 4.375 atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } atom: 743 90E-HB2 B 1.799 ambi=2 { CB:33.669 } :: atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } atom: 744 90E-HB3 B 1.787 ambi=2 { CB:33.669 } ::sumAvg: 3.855 atom: 743 90E-HB2 B 1.799 ambi=2 { CB:33.669 } atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } :: atom: 744 90E-HB3 B 1.787 ambi=2 { CB:33.669 } atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } ::sumAvg: 3.855 atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } atom: 746 90E-QG G 1.9395 ambi=2 { CG:36.335 } ::sumAvg: 4.05 atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } atom: 750 91V-H N 9.261 ambi=1 { N:125.403 } ::sumAvg: 3.225 atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 4.46 atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } :: atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } atom: 635 76A-HA A 5.158 ambi=1 { CA:51.556 } ::sumAvg: 4.46 atom: 636 76A-HB B 1.363 ambi=1 { CB:23.189 } atom: 641 77W-HA A 6.085 ambi=1 { CA:56.477 } ::sumAvg: 4.16 atom: 641 77W-HA A 6.085 ambi=1 { CA:56.477 } atom: 636 76A-HB B 1.363 ambi=1 { CB:23.189 } ::sumAvg: 4.16 atom: 636 76A-HB B 1.363 ambi=1 { CB:23.189 } atom: 642 77W-HB2 B 3.415 ambi=2 { CB:32.957 } :: atom: 636 76A-HB B 1.363 ambi=1 { CB:23.189 } atom: 643 77W-HB3 B 2.935 ambi=2 { CB:32.957 } ::sumAvg: 4.995 atom: 642 77W-HB2 B 3.415 ambi=2 { CB:32.957 } atom: 636 76A-HB B 1.363 ambi=1 { CB:23.189 } :: atom: 643 77W-HB3 B 2.935 ambi=2 { CB:32.957 } atom: 636 76A-HB B 1.363 ambi=1 { CB:23.189 } ::sumAvg: 4.995 atom: 636 76A-HB B 1.363 ambi=1 { CB:23.189 } atom: 737 89G-H N 7.746 ambi=1 { N:108.734 } ::sumAvg: 4.72 atom: 742 90E-HA A 4.783 ambi=1 { CA:54.843 } atom: 636 76A-HB B 1.363 ambi=1 { CB:23.189 } ::sumAvg: 3.04 atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } atom: 640 77W-H N 8.568 ambi=1 { N:118.03 } :: atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } atom: 640 77W-H N 8.568 ambi=1 { N:118.03 } ::sumAvg: 4.995 atom: 742 90E-HA A 4.783 ambi=1 { CA:54.843 } atom: 640 77W-H N 8.568 ambi=1 { N:118.03 } ::sumAvg: 3.775 atom: 641 77W-HA A 6.085 ambi=1 { CA:56.477 } atom: 648 78R-HA A 4.944 ambi=1 { CA:55.275 } ::sumAvg: 4.345 atom: 648 78R-HA A 4.944 ambi=1 { CA:55.275 } atom: 641 77W-HA A 6.085 ambi=1 { CA:56.477 } ::sumAvg: 4.345 atom: 641 77W-HA A 6.085 ambi=1 { CA:56.477 } atom: 649 78R-HB2 B 2.026 ambi=2 { CB:33.567 } :: atom: 641 77W-HA A 6.085 ambi=1 { CA:56.477 } atom: 650 78R-HB3 B 1.927 ambi=2 { CB:33.567 } ::sumAvg: 4.595 atom: 649 78R-HB2 B 2.026 ambi=2 { CB:33.567 } atom: 641 77W-HA A 6.085 ambi=1 { CA:56.477 } :: atom: 650 78R-HB3 B 1.927 ambi=2 { CB:33.567 } atom: 641 77W-HA A 6.085 ambi=1 { CA:56.477 } ::sumAvg: 4.595 atom: 641 77W-HA A 6.085 ambi=1 { CA:56.477 } atom: 652 78R-QG G 1.64 ambi=2 { CG:26.118 } ::sumAvg: 4.64 atom: 652 78R-QG G 1.64 ambi=2 { CG:26.118 } atom: 641 77W-HA A 6.085 ambi=1 { CA:56.477 } ::sumAvg: 4.64 atom: 642 77W-HB2 B 3.415 ambi=2 { CB:32.957 } atom: 648 78R-HA A 4.944 ambi=1 { CA:55.275 } :: atom: 643 77W-HB3 B 2.935 ambi=2 { CB:32.957 } atom: 648 78R-HA A 4.944 ambi=1 { CA:55.275 } ::sumAvg: 4.415 atom: 648 78R-HA A 4.944 ambi=1 { CA:55.275 } atom: 642 77W-HB2 B 3.415 ambi=2 { CB:32.957 } :: atom: 648 78R-HA A 4.944 ambi=1 { CA:55.275 } atom: 643 77W-HB3 B 2.935 ambi=2 { CB:32.957 } ::sumAvg: 4.415 atom: 648 78R-HA A 4.944 ambi=1 { CA:55.275 } atom: 662 79S-HB2 B 4.036 ambi=2 { CB:63.658 } :: atom: 648 78R-HA A 4.944 ambi=1 { CA:55.275 } atom: 663 79S-HB3 B 3.732 ambi=2 { CB:63.658 } ::sumAvg: 4.62 atom: 662 79S-HB2 B 4.036 ambi=2 { CB:63.658 } atom: 648 78R-HA A 4.944 ambi=1 { CA:55.275 } :: atom: 663 79S-HB3 B 3.732 ambi=2 { CB:63.658 } atom: 648 78R-HA A 4.944 ambi=1 { CA:55.275 } ::sumAvg: 4.62 atom: 649 78R-HB2 B 2.026 ambi=2 { CB:33.567 } atom: 661 79S-HA A 4.651 ambi=1 { CA:58.338 } :: atom: 650 78R-HB3 B 1.927 ambi=2 { CB:33.567 } atom: 661 79S-HA A 4.651 ambi=1 { CA:58.338 } ::sumAvg: 4.715 atom: 661 79S-HA A 4.651 ambi=1 { CA:58.338 } atom: 649 78R-HB2 B 2.026 ambi=2 { CB:33.567 } :: atom: 661 79S-HA A 4.651 ambi=1 { CA:58.338 } atom: 650 78R-HB3 B 1.927 ambi=2 { CB:33.567 } ::sumAvg: 4.715 atom: 652 78R-QG G 1.64 ambi=2 { CG:26.118 } atom: 661 79S-HA A 4.651 ambi=1 { CA:58.338 } ::sumAvg: 4.75 atom: 661 79S-HA A 4.651 ambi=1 { CA:58.338 } atom: 652 78R-QG G 1.64 ambi=2 { CG:26.118 } ::sumAvg: 4.75 atom: 652 78R-QG G 1.64 ambi=2 { CG:26.118 } atom: 731 88S-HA A 4.685 ambi=1 { CA:57.264 } ::sumAvg: 4.86 atom: 731 88S-HA A 4.685 ambi=1 { CA:57.264 } atom: 652 78R-QG G 1.64 ambi=2 { CG:26.118 } ::sumAvg: 4.86 atom: 652 78R-QG G 1.64 ambi=2 { CG:26.118 } atom: 732 88S-HB2 B 3.868 ambi=2 { CB:66.259 } :: atom: 652 78R-QG G 1.64 ambi=2 { CG:26.118 } atom: 733 88S-HB3 B 3.853 ambi=2 { CB:66.259 } ::sumAvg: 4.825 atom: 732 88S-HB2 B 3.868 ambi=2 { CB:66.259 } atom: 652 78R-QG G 1.64 ambi=2 { CG:26.118 } :: atom: 733 88S-HB3 B 3.853 ambi=2 { CB:66.259 } atom: 652 78R-QG G 1.64 ambi=2 { CG:26.118 } ::sumAvg: 4.825 atom: 653 78R-HD2 D 3.188 ambi=2 { CD:43.1 } atom: 732 88S-HB2 B 3.868 ambi=2 { CB:66.259 } :: atom: 653 78R-HD2 D 3.188 ambi=2 { CD:43.1 } atom: 733 88S-HB3 B 3.853 ambi=2 { CB:66.259 } :: atom: 654 78R-HD3 D 3.107 ambi=2 { CD:43.1 } atom: 732 88S-HB2 B 3.868 ambi=2 { CB:66.259 } :: atom: 654 78R-HD3 D 3.107 ambi=2 { CD:43.1 } atom: 733 88S-HB3 B 3.853 ambi=2 { CB:66.259 } ::sumAvg: 4.655 atom: 732 88S-HB2 B 3.868 ambi=2 { CB:66.259 } atom: 653 78R-HD2 D 3.188 ambi=2 { CD:43.1 } :: atom: 733 88S-HB3 B 3.853 ambi=2 { CB:66.259 } atom: 653 78R-HD2 D 3.188 ambi=2 { CD:43.1 } :: atom: 732 88S-HB2 B 3.868 ambi=2 { CB:66.259 } atom: 654 78R-HD3 D 3.107 ambi=2 { CD:43.1 } :: atom: 733 88S-HB3 B 3.853 ambi=2 { CB:66.259 } atom: 654 78R-HD3 D 3.107 ambi=2 { CD:43.1 } ::sumAvg: 4.655 atom: 668 80L-HA A 4.641 ambi=1 { CA:53.718 } atom: 660 79S-H N 9.048 ambi=1 { N:118.03 } ::sumAvg: 4.96 atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } atom: 660 79S-H N 9.048 ambi=1 { N:118.03 } ::sumAvg: 4.785 atom: 661 79S-HA A 4.651 ambi=1 { CA:58.338 } atom: 669 80L-HB2 B 1.725 ambi=2 { CB:39.8 } :: atom: 661 79S-HA A 4.651 ambi=1 { CA:58.338 } atom: 670 80L-HB3 B 1.645 ambi=2 { CB:39.8 } ::sumAvg: 4.865 atom: 661 79S-HA A 4.651 ambi=1 { CA:58.338 } atom: 671 80L-HG G 1.584 ambi=1 { CG:26.77 } ::sumAvg: 4.915 atom: 661 79S-HA A 4.651 ambi=1 { CA:58.338 } atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } :: atom: 661 79S-HA A 4.651 ambi=1 { CA:58.338 } atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } ::sumAvg: 4.355 atom: 661 79S-HA A 4.651 ambi=1 { CA:58.338 } atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } ::sumAvg: 4.475 atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } atom: 661 79S-HA A 4.651 ambi=1 { CA:58.338 } ::sumAvg: 4.475 atom: 662 79S-HB2 B 4.036 ambi=2 { CB:63.658 } atom: 669 80L-HB2 B 1.725 ambi=2 { CB:39.8 } :: atom: 662 79S-HB2 B 4.036 ambi=2 { CB:63.658 } atom: 670 80L-HB3 B 1.645 ambi=2 { CB:39.8 } :: atom: 663 79S-HB3 B 3.732 ambi=2 { CB:63.658 } atom: 669 80L-HB2 B 1.725 ambi=2 { CB:39.8 } :: atom: 663 79S-HB3 B 3.732 ambi=2 { CB:63.658 } atom: 670 80L-HB3 B 1.645 ambi=2 { CB:39.8 } ::sumAvg: 4.885 atom: 669 80L-HB2 B 1.725 ambi=2 { CB:39.8 } atom: 662 79S-HB2 B 4.036 ambi=2 { CB:63.658 } :: atom: 670 80L-HB3 B 1.645 ambi=2 { CB:39.8 } atom: 662 79S-HB2 B 4.036 ambi=2 { CB:63.658 } :: atom: 669 80L-HB2 B 1.725 ambi=2 { CB:39.8 } atom: 663 79S-HB3 B 3.732 ambi=2 { CB:63.658 } :: atom: 670 80L-HB3 B 1.645 ambi=2 { CB:39.8 } atom: 663 79S-HB3 B 3.732 ambi=2 { CB:63.658 } ::sumAvg: 4.885 atom: 662 79S-HB2 B 4.036 ambi=2 { CB:63.658 } atom: 671 80L-HG G 1.584 ambi=1 { CG:26.77 } :: atom: 663 79S-HB3 B 3.732 ambi=2 { CB:63.658 } atom: 671 80L-HG G 1.584 ambi=1 { CG:26.77 } ::sumAvg: 4.83 atom: 662 79S-HB2 B 4.036 ambi=2 { CB:63.658 } atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } :: atom: 662 79S-HB2 B 4.036 ambi=2 { CB:63.658 } atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } :: atom: 663 79S-HB3 B 3.732 ambi=2 { CB:63.658 } atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } :: atom: 663 79S-HB3 B 3.732 ambi=2 { CB:63.658 } atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } ::sumAvg: 4.73 atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } atom: 662 79S-HB2 B 4.036 ambi=2 { CB:63.658 } :: atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } atom: 662 79S-HB2 B 4.036 ambi=2 { CB:63.658 } :: atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } atom: 663 79S-HB3 B 3.732 ambi=2 { CB:63.658 } :: atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } atom: 663 79S-HB3 B 3.732 ambi=2 { CB:63.658 } ::sumAvg: 4.73 atom: 662 79S-HB2 B 4.036 ambi=2 { CB:63.658 } atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } :: atom: 663 79S-HB3 B 3.732 ambi=2 { CB:63.658 } atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } ::sumAvg: 3.255 atom: 685 81P-HD2 D 3.948 ambi=2 { CD:50.355 } atom: 667 80L-H N 8.678 ambi=1 { N:123.071 } :: atom: 686 81P-HD3 D 3.767 ambi=2 { CD:50.355 } atom: 667 80L-H N 8.678 ambi=1 { N:123.071 } ::sumAvg: 4.215 atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } atom: 667 80L-H N 8.678 ambi=1 { N:123.071 } ::sumAvg: 3.765 atom: 668 80L-HA A 4.641 ambi=1 { CA:53.718 } atom: 683 81P-HG2 G 2.177 ambi=2 { CG:27.606 } :: atom: 668 80L-HA A 4.641 ambi=1 { CA:53.718 } atom: 684 81P-HG3 G 2.042 ambi=2 { CG:27.606 } ::sumAvg: 4.34 atom: 668 80L-HA A 4.641 ambi=1 { CA:53.718 } atom: 685 81P-HD2 D 3.948 ambi=2 { CD:50.355 } :: atom: 668 80L-HA A 4.641 ambi=1 { CA:53.718 } atom: 686 81P-HD3 D 3.767 ambi=2 { CD:50.355 } ::sumAvg: 2.125 atom: 668 80L-HA A 4.641 ambi=1 { CA:53.718 } atom: 691 82G-H N 8.911 ambi=1 { N:112.023 } ::sumAvg: 4.185 atom: 668 80L-HA A 4.641 ambi=1 { CA:53.718 } atom: 696 83A-H N 7.393 ambi=1 { N:122.556 } ::sumAvg: 4.87 atom: 668 80L-HA A 4.641 ambi=1 { CA:53.718 } atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } ::sumAvg: 4.97 atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } atom: 668 80L-HA A 4.641 ambi=1 { CA:53.718 } ::sumAvg: 4.97 atom: 685 81P-HD2 D 3.948 ambi=2 { CD:50.355 } atom: 669 80L-HB2 B 1.725 ambi=2 { CB:39.8 } :: atom: 686 81P-HD3 D 3.767 ambi=2 { CD:50.355 } atom: 669 80L-HB2 B 1.725 ambi=2 { CB:39.8 } :: atom: 685 81P-HD2 D 3.948 ambi=2 { CD:50.355 } atom: 670 80L-HB3 B 1.645 ambi=2 { CB:39.8 } :: atom: 686 81P-HD3 D 3.767 ambi=2 { CD:50.355 } atom: 670 80L-HB3 B 1.645 ambi=2 { CB:39.8 } ::sumAvg: 3.14 atom: 669 80L-HB2 B 1.725 ambi=2 { CB:39.8 } atom: 691 82G-H N 8.911 ambi=1 { N:112.023 } :: atom: 670 80L-HB3 B 1.645 ambi=2 { CB:39.8 } atom: 691 82G-H N 8.911 ambi=1 { N:112.023 } ::sumAvg: 3.19 atom: 692 82G-HA2 A 4.339 ambi=2 { CA:44.464 } atom: 669 80L-HB2 B 1.725 ambi=2 { CB:39.8 } :: atom: 693 82G-HA3 A 3.646 ambi=2 { CA:44.464 } atom: 669 80L-HB2 B 1.725 ambi=2 { CB:39.8 } :: atom: 692 82G-HA2 A 4.339 ambi=2 { CA:44.464 } atom: 670 80L-HB3 B 1.645 ambi=2 { CB:39.8 } :: atom: 693 82G-HA3 A 3.646 ambi=2 { CA:44.464 } atom: 670 80L-HB3 B 1.645 ambi=2 { CB:39.8 } ::sumAvg: 4.65 atom: 669 80L-HB2 B 1.725 ambi=2 { CB:39.8 } atom: 696 83A-H N 7.393 ambi=1 { N:122.556 } :: atom: 670 80L-HB3 B 1.645 ambi=2 { CB:39.8 } atom: 696 83A-H N 7.393 ambi=1 { N:122.556 } ::sumAvg: 3.215 atom: 685 81P-HD2 D 3.948 ambi=2 { CD:50.355 } atom: 671 80L-HG G 1.584 ambi=1 { CG:26.77 } :: atom: 686 81P-HD3 D 3.767 ambi=2 { CD:50.355 } atom: 671 80L-HG G 1.584 ambi=1 { CG:26.77 } ::sumAvg: 3.71 atom: 683 81P-HG2 G 2.177 ambi=2 { CG:27.606 } atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } :: atom: 684 81P-HG3 G 2.042 ambi=2 { CG:27.606 } atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } :: atom: 683 81P-HG2 G 2.177 ambi=2 { CG:27.606 } atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } :: atom: 684 81P-HG3 G 2.042 ambi=2 { CG:27.606 } atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } ::sumAvg: 4.36 atom: 685 81P-HD2 D 3.948 ambi=2 { CD:50.355 } atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } :: atom: 686 81P-HD3 D 3.767 ambi=2 { CD:50.355 } atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } :: atom: 685 81P-HD2 D 3.948 ambi=2 { CD:50.355 } atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } :: atom: 686 81P-HD3 D 3.767 ambi=2 { CD:50.355 } atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } ::sumAvg: 2.535 atom: 692 82G-HA2 A 4.339 ambi=2 { CA:44.464 } atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } :: atom: 693 82G-HA3 A 3.646 ambi=2 { CA:44.464 } atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } :: atom: 692 82G-HA2 A 4.339 ambi=2 { CA:44.464 } atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } :: atom: 693 82G-HA3 A 3.646 ambi=2 { CA:44.464 } atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } ::sumAvg: 4.605 atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } atom: 696 83A-H N 7.393 ambi=1 { N:122.556 } :: atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } atom: 696 83A-H N 7.393 ambi=1 { N:122.556 } ::sumAvg: 4.365 atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } :: atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } ::sumAvg: 3.835 atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } atom: 672 80L-HD1 D1 0.944 ambi=2 { CD1:25.403 } :: atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } atom: 673 80L-HD2 D2 0.955 ambi=2 { CD2:22.845 } ::sumAvg: 3.835 atom: 680 81P-HA A 4.341 ambi=1 { CA:64.529 } atom: 693 82G-HA3 A 3.646 ambi=2 { CA:44.464 } ::sumAvg: 4.705 atom: 692 82G-HA2 A 4.339 ambi=2 { CA:44.464 } atom: 681 81P-HB2 B 2.365 ambi=2 { CB:31.544 } :: atom: 693 82G-HA3 A 3.646 ambi=2 { CA:44.464 } atom: 681 81P-HB2 B 2.365 ambi=2 { CB:31.544 } :: atom: 692 82G-HA2 A 4.339 ambi=2 { CA:44.464 } atom: 682 81P-HB3 B 1.843 ambi=2 { CB:31.544 } :: atom: 693 82G-HA3 A 3.646 ambi=2 { CA:44.464 } atom: 682 81P-HB3 B 1.843 ambi=2 { CB:31.544 } ::sumAvg: 4.205 atom: 685 81P-HD2 D 3.948 ambi=2 { CD:50.355 } atom: 696 83A-H N 7.393 ambi=1 { N:122.556 } :: atom: 686 81P-HD3 D 3.767 ambi=2 { CD:50.355 } atom: 696 83A-H N 7.393 ambi=1 { N:122.556 } ::sumAvg: 4.96 atom: 697 83A-HA A 4.476 ambi=1 { CA:52.421 } atom: 691 82G-H N 8.911 ambi=1 { N:112.023 } ::sumAvg: 4.945 atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } atom: 691 82G-H N 8.911 ambi=1 { N:112.023 } ::sumAvg: 4.21 atom: 693 82G-HA3 A 3.646 ambi=2 { CA:44.464 } atom: 697 83A-HA A 4.476 ambi=1 { CA:52.421 } ::sumAvg: 4.415 atom: 697 83A-HA A 4.476 ambi=1 { CA:52.421 } atom: 693 82G-HA3 A 3.646 ambi=2 { CA:44.464 } ::sumAvg: 4.415 atom: 692 82G-HA2 A 4.339 ambi=2 { CA:44.464 } atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } :: atom: 693 82G-HA3 A 3.646 ambi=2 { CA:44.464 } atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } ::sumAvg: 4.35 atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } atom: 692 82G-HA2 A 4.339 ambi=2 { CA:44.464 } :: atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } atom: 693 82G-HA3 A 3.646 ambi=2 { CA:44.464 } ::sumAvg: 4.35 atom: 697 83A-HA A 4.476 ambi=1 { CA:52.421 } atom: 703 84R-HA A 4.043 ambi=1 { CA:58.129 } ::sumAvg: 4.795 atom: 703 84R-HA A 4.043 ambi=1 { CA:58.129 } atom: 697 83A-HA A 4.476 ambi=1 { CA:52.421 } ::sumAvg: 4.795 atom: 697 83A-HA A 4.476 ambi=1 { CA:52.421 } atom: 707 84R-QG G 1.581 ambi=2 { CG:27.31 } ::sumAvg: 4.805 atom: 707 84R-QG G 1.581 ambi=2 { CG:27.31 } atom: 697 83A-HA A 4.476 ambi=1 { CA:52.421 } ::sumAvg: 4.805 atom: 703 84R-HA A 4.043 ambi=1 { CA:58.129 } atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } ::sumAvg: 4.135 atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } atom: 704 84R-HB2 B 1.985 ambi=2 { CB:30.886 } ::sumAvg: 4.305 atom: 704 84R-HB2 B 1.985 ambi=2 { CB:30.886 } atom: 698 83A-HB B 1.431 ambi=1 { CB:20.421 } ::sumAvg: 4.305 atom: 715 86E-HA A 3.959 ambi=1 { CA:56.399 } atom: 724 87N-HA A 5.455 ambi=1 { CA:53.459 } ::sumAvg: 4.49 atom: 724 87N-HA A 5.455 ambi=1 { CA:53.459 } atom: 715 86E-HA A 3.959 ambi=1 { CA:56.399 } ::sumAvg: 4.49 atom: 716 86E-HB2 B 2.11 ambi=2 { CB:28.967 } atom: 724 87N-HA A 5.455 ambi=1 { CA:53.459 } :: atom: 717 86E-HB3 B 1.927 ambi=2 { CB:28.967 } atom: 724 87N-HA A 5.455 ambi=1 { CA:53.459 } ::sumAvg: 4.49 atom: 724 87N-HA A 5.455 ambi=1 { CA:53.459 } atom: 716 86E-HB2 B 2.11 ambi=2 { CB:28.967 } :: atom: 724 87N-HA A 5.455 ambi=1 { CA:53.459 } atom: 717 86E-HB3 B 1.927 ambi=2 { CB:28.967 } ::sumAvg: 4.49 atom: 719 86E-QG G 2.2545 ambi=2 { CG:35.433 } atom: 724 87N-HA A 5.455 ambi=1 { CA:53.459 } ::sumAvg: 4.82 atom: 724 87N-HA A 5.455 ambi=1 { CA:53.459 } atom: 719 86E-QG G 2.2545 ambi=2 { CG:35.433 } ::sumAvg: 4.82 atom: 731 88S-HA A 4.685 ambi=1 { CA:57.264 } atom: 723 87N-H N 8.987 ambi=1 { N:120.046 } ::sumAvg: 4.895 atom: 724 87N-HA A 5.455 ambi=1 { CA:53.459 } atom: 731 88S-HA A 4.685 ambi=1 { CA:57.264 } ::sumAvg: 4.425 atom: 731 88S-HA A 4.685 ambi=1 { CA:57.264 } atom: 724 87N-HA A 5.455 ambi=1 { CA:53.459 } ::sumAvg: 4.425 atom: 724 87N-HA A 5.455 ambi=1 { CA:53.459 } atom: 732 88S-HB2 B 3.868 ambi=2 { CB:66.259 } :: atom: 724 87N-HA A 5.455 ambi=1 { CA:53.459 } atom: 733 88S-HB3 B 3.853 ambi=2 { CB:66.259 } ::sumAvg: 4.555 atom: 732 88S-HB2 B 3.868 ambi=2 { CB:66.259 } atom: 724 87N-HA A 5.455 ambi=1 { CA:53.459 } :: atom: 733 88S-HB3 B 3.853 ambi=2 { CB:66.259 } atom: 724 87N-HA A 5.455 ambi=1 { CA:53.459 } ::sumAvg: 4.555 atom: 724 87N-HA A 5.455 ambi=1 { CA:53.459 } atom: 929 109T-HB B 3.841 ambi=1 { CB:70.67 } ::sumAvg: 3.945 atom: 929 109T-HB B 3.841 ambi=1 { CB:70.67 } atom: 724 87N-HA A 5.455 ambi=1 { CA:53.459 } ::sumAvg: 3.945 atom: 724 87N-HA A 5.455 ambi=1 { CA:53.459 } atom: 930 109T-HG2 G2 0.953 ambi=1 { CG2:20.912 } ::sumAvg: 4.355 atom: 930 109T-HG2 G2 0.953 ambi=1 { CG2:20.912 } atom: 724 87N-HA A 5.455 ambi=1 { CA:53.459 } ::sumAvg: 4.355 atom: 725 87N-HB2 B 2.699 ambi=2 { CB:43.354 } atom: 731 88S-HA A 4.685 ambi=1 { CA:57.264 } :: atom: 726 87N-HB3 B 2.51 ambi=2 { CB:43.354 } atom: 731 88S-HA A 4.685 ambi=1 { CA:57.264 } ::sumAvg: 4.535 atom: 731 88S-HA A 4.685 ambi=1 { CA:57.264 } atom: 725 87N-HB2 B 2.699 ambi=2 { CB:43.354 } :: atom: 731 88S-HA A 4.685 ambi=1 { CA:57.264 } atom: 726 87N-HB3 B 2.51 ambi=2 { CB:43.354 } ::sumAvg: 4.535 atom: 919 108L-HD1 D1 0.957 ambi=2 { CD1:23.053 } atom: 725 87N-HB2 B 2.699 ambi=2 { CB:43.354 } :: atom: 920 108L-HD2 D2 0.908 ambi=2 { CD2:23.01 } atom: 725 87N-HB2 B 2.699 ambi=2 { CB:43.354 } :: atom: 919 108L-HD1 D1 0.957 ambi=2 { CD1:23.053 } atom: 726 87N-HB3 B 2.51 ambi=2 { CB:43.354 } :: atom: 920 108L-HD2 D2 0.908 ambi=2 { CD2:23.01 } atom: 726 87N-HB3 B 2.51 ambi=2 { CB:43.354 } ::sumAvg: 4.135 atom: 915 108L-HA A 5.23 ambi=1 { CA:53.199 } atom: 730 88S-H N 9.326 ambi=1 { N:114.038 } ::sumAvg: 4.955 atom: 929 109T-HB B 3.841 ambi=1 { CB:70.67 } atom: 730 88S-H N 9.326 ambi=1 { N:114.038 } ::sumAvg: 3.44 atom: 731 88S-HA A 4.685 ambi=1 { CA:57.264 } atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } :: atom: 731 88S-HA A 4.685 ambi=1 { CA:57.264 } atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } ::sumAvg: 4.345 atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } atom: 731 88S-HA A 4.685 ambi=1 { CA:57.264 } :: atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } atom: 731 88S-HA A 4.685 ambi=1 { CA:57.264 } ::sumAvg: 4.345 atom: 732 88S-HB2 B 3.868 ambi=2 { CB:66.259 } atom: 915 108L-HA A 5.23 ambi=1 { CA:53.199 } :: atom: 733 88S-HB3 B 3.853 ambi=2 { CB:66.259 } atom: 915 108L-HA A 5.23 ambi=1 { CA:53.199 } ::sumAvg: 4.71 atom: 915 108L-HA A 5.23 ambi=1 { CA:53.199 } atom: 732 88S-HB2 B 3.868 ambi=2 { CB:66.259 } :: atom: 915 108L-HA A 5.23 ambi=1 { CA:53.199 } atom: 733 88S-HB3 B 3.853 ambi=2 { CB:66.259 } ::sumAvg: 4.71 atom: 732 88S-HB2 B 3.868 ambi=2 { CB:66.259 } atom: 927 109T-H N 8.871 ambi=1 { N:116.088 } :: atom: 733 88S-HB3 B 3.853 ambi=2 { CB:66.259 } atom: 927 109T-H N 8.871 ambi=1 { N:116.088 } ::sumAvg: 4.595 atom: 742 90E-HA A 4.783 ambi=1 { CA:54.843 } atom: 737 89G-H N 7.746 ambi=1 { N:108.734 } ::sumAvg: 4.775 atom: 743 90E-HB2 B 1.799 ambi=2 { CB:33.669 } atom: 737 89G-H N 7.746 ambi=1 { N:108.734 } :: atom: 744 90E-HB3 B 1.787 ambi=2 { CB:33.669 } atom: 737 89G-H N 7.746 ambi=1 { N:108.734 } ::sumAvg: 4.58 atom: 746 90E-QG G 1.9395 ambi=2 { CG:36.335 } atom: 737 89G-H N 7.746 ambi=1 { N:108.734 } ::sumAvg: 4.48 atom: 915 108L-HA A 5.23 ambi=1 { CA:53.199 } atom: 737 89G-H N 7.746 ambi=1 { N:108.734 } ::sumAvg: 4.835 atom: 919 108L-HD1 D1 0.957 ambi=2 { CD1:23.053 } atom: 737 89G-H N 7.746 ambi=1 { N:108.734 } :: atom: 920 108L-HD2 D2 0.908 ambi=2 { CD2:23.01 } atom: 737 89G-H N 7.746 ambi=1 { N:108.734 } ::sumAvg: 4.71 atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } atom: 742 90E-HA A 4.783 ambi=1 { CA:54.843 } :: atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } atom: 742 90E-HA A 4.783 ambi=1 { CA:54.843 } ::sumAvg: 4.425 atom: 742 90E-HA A 4.783 ambi=1 { CA:54.843 } atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } :: atom: 742 90E-HA A 4.783 ambi=1 { CA:54.843 } atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } ::sumAvg: 4.425 atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } atom: 743 90E-HB2 B 1.799 ambi=2 { CB:33.669 } :: atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } atom: 744 90E-HB3 B 1.787 ambi=2 { CB:33.669 } :: atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } atom: 743 90E-HB2 B 1.799 ambi=2 { CB:33.669 } :: atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } atom: 744 90E-HB3 B 1.787 ambi=2 { CB:33.669 } ::sumAvg: 4.625 atom: 743 90E-HB2 B 1.799 ambi=2 { CB:33.669 } atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } :: atom: 744 90E-HB3 B 1.787 ambi=2 { CB:33.669 } atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } :: atom: 743 90E-HB2 B 1.799 ambi=2 { CB:33.669 } atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } :: atom: 744 90E-HB3 B 1.787 ambi=2 { CB:33.669 } atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } ::sumAvg: 4.625 atom: 746 90E-QG G 1.9395 ambi=2 { CG:36.335 } atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } :: atom: 746 90E-QG G 1.9395 ambi=2 { CG:36.335 } atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } ::sumAvg: 4.86 atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } atom: 894 106V-HG1 G1 0.885 ambi=2 { CG1:23.207 } :: atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } atom: 895 106V-HG2 G2 0.662 ambi=2 { CG2:22.57 } :: atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } atom: 894 106V-HG1 G1 0.885 ambi=2 { CG1:23.207 } :: atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } atom: 895 106V-HG2 G2 0.662 ambi=2 { CG2:22.57 } ::sumAvg: 4.875 atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } atom: 901 107R-H N 8.681 ambi=1 { N:126.718 } :: atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } atom: 901 107R-H N 8.681 ambi=1 { N:126.718 } ::sumAvg: 4.96 atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } atom: 904 107R-QB B 1.7305 ambi=2 { CB:32.875 } :: atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } atom: 904 107R-QB B 1.7305 ambi=2 { CB:32.875 } ::sumAvg: 4.88 atom: 904 107R-QB B 1.7305 ambi=2 { CB:32.875 } atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } :: atom: 904 107R-QB B 1.7305 ambi=2 { CB:32.875 } atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } ::sumAvg: 4.88 atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } atom: 915 108L-HA A 5.23 ambi=1 { CA:53.199 } :: atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } atom: 915 108L-HA A 5.23 ambi=1 { CA:53.199 } ::sumAvg: 3.115 atom: 915 108L-HA A 5.23 ambi=1 { CA:53.199 } atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } :: atom: 915 108L-HA A 5.23 ambi=1 { CA:53.199 } atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } ::sumAvg: 3.115 atom: 916 108L-HB2 B 1.894 ambi=2 { CB:44.983 } atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } :: atom: 917 108L-HB3 B 1.606 ambi=2 { CB:44.983 } atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } :: atom: 916 108L-HB2 B 1.894 ambi=2 { CB:44.983 } atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } :: atom: 917 108L-HB3 B 1.606 ambi=2 { CB:44.983 } atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } ::sumAvg: 4.19 atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } atom: 918 108L-HG G 1.54 ambi=1 { CG:26.77 } :: atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } atom: 918 108L-HG G 1.54 ambi=1 { CG:26.77 } ::sumAvg: 3.995 atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } atom: 919 108L-HD1 D1 0.957 ambi=2 { CD1:23.053 } :: atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } atom: 920 108L-HD2 D2 0.908 ambi=2 { CD2:23.01 } :: atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } atom: 919 108L-HD1 D1 0.957 ambi=2 { CD1:23.053 } :: atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } atom: 920 108L-HD2 D2 0.908 ambi=2 { CD2:23.01 } ::sumAvg: 3.155 atom: 738 89G-HA2 A 3.93 ambi=2 { CA:45.194 } atom: 927 109T-H N 8.871 ambi=1 { N:116.088 } :: atom: 739 89G-HA3 A 3.95 ambi=2 { CA:45.194 } atom: 927 109T-H N 8.871 ambi=1 { N:116.088 } ::sumAvg: 4.38 atom: 742 90E-HA A 4.783 ambi=1 { CA:54.843 } atom: 752 91V-HB B 1.403 ambi=1 { CB:33.653 } ::sumAvg: 4.645 atom: 742 90E-HA A 4.783 ambi=1 { CA:54.843 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 742 90E-HA A 4.783 ambi=1 { CA:54.843 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 3.6 atom: 751 91V-HA A 4.8 ambi=1 { CA:59.599 } atom: 743 90E-HB2 B 1.799 ambi=2 { CB:33.669 } :: atom: 751 91V-HA A 4.8 ambi=1 { CA:59.599 } atom: 744 90E-HB3 B 1.787 ambi=2 { CB:33.669 } ::sumAvg: 4.63 atom: 743 90E-HB2 B 1.799 ambi=2 { CB:33.669 } atom: 901 107R-H N 8.681 ambi=1 { N:126.718 } :: atom: 744 90E-HB3 B 1.787 ambi=2 { CB:33.669 } atom: 901 107R-H N 8.681 ambi=1 { N:126.718 } ::sumAvg: 4.675 atom: 906 107R-QG G 1.388 ambi=2 { CG:27.133 } atom: 743 90E-HB2 B 1.799 ambi=2 { CB:33.669 } ::sumAvg: 4.875 atom: 751 91V-HA A 4.8 ambi=1 { CA:59.599 } atom: 746 90E-QG G 1.9395 ambi=2 { CG:36.335 } ::sumAvg: 4.68 atom: 746 90E-QG G 1.9395 ambi=2 { CG:36.335 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 746 90E-QG G 1.9395 ambi=2 { CG:36.335 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 4.485 atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } atom: 746 90E-QG G 1.9395 ambi=2 { CG:36.335 } :: atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } atom: 746 90E-QG G 1.9395 ambi=2 { CG:36.335 } ::sumAvg: 4.485 atom: 746 90E-QG G 1.9395 ambi=2 { CG:36.335 } atom: 764 92L-HG G 1.452 ambi=1 { CG:26.77 } ::sumAvg: 4.83 atom: 764 92L-HG G 1.452 ambi=1 { CG:26.77 } atom: 746 90E-QG G 1.9395 ambi=2 { CG:36.335 } ::sumAvg: 4.83 atom: 746 90E-QG G 1.9395 ambi=2 { CG:36.335 } atom: 901 107R-H N 8.681 ambi=1 { N:126.718 } ::sumAvg: 4.415 atom: 906 107R-QG G 1.388 ambi=2 { CG:27.133 } atom: 746 90E-QG G 1.9395 ambi=2 { CG:36.335 } ::sumAvg: 4.765 atom: 761 92L-HA A 4.939 ambi=1 { CA:52.248 } atom: 750 91V-H N 9.261 ambi=1 { N:125.403 } ::sumAvg: 4.775 atom: 765 92L-HD1 D1 0.802 ambi=2 { CD1:23.617 } atom: 750 91V-H N 9.261 ambi=1 { N:125.403 } :: atom: 766 92L-HD2 D2 0.732 ambi=2 { CD2:24.75 } atom: 750 91V-H N 9.261 ambi=1 { N:125.403 } ::sumAvg: 4.745 atom: 763 92L-QB B 1.4025 ambi=2 { CB:45.243 } atom: 751 91V-HA A 4.8 ambi=1 { CA:59.599 } ::sumAvg: 4.15 atom: 751 91V-HA A 4.8 ambi=1 { CA:59.599 } atom: 765 92L-HD1 D1 0.802 ambi=2 { CD1:23.617 } :: atom: 751 91V-HA A 4.8 ambi=1 { CA:59.599 } atom: 766 92L-HD2 D2 0.732 ambi=2 { CD2:24.75 } ::sumAvg: 4.49 atom: 765 92L-HD1 D1 0.802 ambi=2 { CD1:23.617 } atom: 751 91V-HA A 4.8 ambi=1 { CA:59.599 } :: atom: 766 92L-HD2 D2 0.732 ambi=2 { CD2:24.75 } atom: 751 91V-HA A 4.8 ambi=1 { CA:59.599 } ::sumAvg: 4.49 atom: 751 91V-HA A 4.8 ambi=1 { CA:59.599 } atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } :: atom: 751 91V-HA A 4.8 ambi=1 { CA:59.599 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } ::sumAvg: 4.145 atom: 751 91V-HA A 4.8 ambi=1 { CA:59.599 } atom: 881 105V-H N 8.521 ambi=1 { N:126.061 } ::sumAvg: 4.735 atom: 751 91V-HA A 4.8 ambi=1 { CA:59.599 } atom: 883 105V-HB B 1.773 ambi=1 { CB:33.913 } ::sumAvg: 4.98 atom: 751 91V-HA A 4.8 ambi=1 { CA:59.599 } atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } ::sumAvg: 4.6 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 751 91V-HA A 4.8 ambi=1 { CA:59.599 } ::sumAvg: 4.6 atom: 751 91V-HA A 4.8 ambi=1 { CA:59.599 } atom: 894 106V-HG1 G1 0.885 ambi=2 { CG1:23.207 } :: atom: 751 91V-HA A 4.8 ambi=1 { CA:59.599 } atom: 895 106V-HG2 G2 0.662 ambi=2 { CG2:22.57 } ::sumAvg: 3.275 atom: 751 91V-HA A 4.8 ambi=1 { CA:59.599 } atom: 901 107R-H N 8.681 ambi=1 { N:126.718 } ::sumAvg: 3.24 atom: 752 91V-HB B 1.403 ambi=1 { CB:33.653 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } ::sumAvg: 4.455 atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 752 91V-HB B 1.403 ambi=1 { CB:33.653 } ::sumAvg: 4.455 atom: 892 106V-HA A 4.637 ambi=1 { CA:60.897 } atom: 752 91V-HB B 1.403 ambi=1 { CB:33.653 } ::sumAvg: 4.065 atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } atom: 761 92L-HA A 4.939 ambi=1 { CA:52.248 } :: atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } atom: 761 92L-HA A 4.939 ambi=1 { CA:52.248 } ::sumAvg: 3.795 atom: 761 92L-HA A 4.939 ambi=1 { CA:52.248 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 761 92L-HA A 4.939 ambi=1 { CA:52.248 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 3.795 atom: 763 92L-QB B 1.4025 ambi=2 { CB:45.243 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 763 92L-QB B 1.4025 ambi=2 { CB:45.243 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 4.225 atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } atom: 765 92L-HD1 D1 0.802 ambi=2 { CD1:23.617 } :: atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } atom: 766 92L-HD2 D2 0.732 ambi=2 { CD2:24.75 } :: atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } atom: 765 92L-HD1 D1 0.802 ambi=2 { CD1:23.617 } :: atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } atom: 766 92L-HD2 D2 0.732 ambi=2 { CD2:24.75 } ::sumAvg: 4.735 atom: 765 92L-HD1 D1 0.802 ambi=2 { CD1:23.617 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 766 92L-HD2 D2 0.732 ambi=2 { CD2:24.75 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 765 92L-HD1 D1 0.802 ambi=2 { CD1:23.617 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } :: atom: 766 92L-HD2 D2 0.732 ambi=2 { CD2:24.75 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 4.735 atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } atom: 773 93F-H N 8.005 ambi=1 { N:117.732 } :: atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } atom: 773 93F-H N 8.005 ambi=1 { N:117.732 } ::sumAvg: 4.35 atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } atom: 774 93F-HA A 5.131 ambi=1 { CA:55.708 } :: atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } atom: 774 93F-HA A 5.131 ambi=1 { CA:55.708 } ::sumAvg: 4.195 atom: 774 93F-HA A 5.131 ambi=1 { CA:55.708 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 774 93F-HA A 5.131 ambi=1 { CA:55.708 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 4.195 atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 3.35 atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 3.89 atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } :: atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } ::sumAvg: 4.54 atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 4.54 atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } atom: 881 105V-H N 8.521 ambi=1 { N:126.061 } :: atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } atom: 881 105V-H N 8.521 ambi=1 { N:126.061 } ::sumAvg: 3.56 atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } :: atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } ::sumAvg: 4.745 atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 4.745 atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } atom: 883 105V-HB B 1.773 ambi=1 { CB:33.913 } :: atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } atom: 883 105V-HB B 1.773 ambi=1 { CB:33.913 } ::sumAvg: 4.765 atom: 883 105V-HB B 1.773 ambi=1 { CB:33.913 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 883 105V-HB B 1.773 ambi=1 { CB:33.913 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 4.765 atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } :: atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } ::sumAvg: 4.46 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 4.46 atom: 892 106V-HA A 4.637 ambi=1 { CA:60.897 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 892 106V-HA A 4.637 ambi=1 { CA:60.897 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 2.82 atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 4.63 atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } atom: 901 107R-H N 8.681 ambi=1 { N:126.718 } :: atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } atom: 901 107R-H N 8.681 ambi=1 { N:126.718 } ::sumAvg: 3.61 atom: 919 108L-HD1 D1 0.957 ambi=2 { CD1:23.053 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 920 108L-HD2 D2 0.908 ambi=2 { CD2:23.01 } atom: 753 91V-HG1 G1 0.09 ambi=2 { CG1:20.616 } :: atom: 919 108L-HD1 D1 0.957 ambi=2 { CD1:23.053 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } :: atom: 920 108L-HD2 D2 0.908 ambi=2 { CD2:23.01 } atom: 754 91V-HG2 G2 -0.054 ambi=2 { CG2:20.616 } ::sumAvg: 3.64 atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } atom: 760 92L-H N 8.737 ambi=1 { N:125.079 } ::sumAvg: 4.93 atom: 775 93F-HB2 B 3.076 ambi=2 { CB:40.313 } atom: 761 92L-HA A 4.939 ambi=1 { CA:52.248 } :: atom: 776 93F-HB3 B 2.639 ambi=2 { CB:40.313 } atom: 761 92L-HA A 4.939 ambi=1 { CA:52.248 } ::sumAvg: 4.505 atom: 761 92L-HA A 4.939 ambi=1 { CA:52.248 } atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } ::sumAvg: 3.84 atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } atom: 761 92L-HA A 4.939 ambi=1 { CA:52.248 } ::sumAvg: 3.84 atom: 761 92L-HA A 4.939 ambi=1 { CA:52.248 } atom: 881 105V-H N 8.521 ambi=1 { N:126.061 } ::sumAvg: 4.82 atom: 883 105V-HB B 1.773 ambi=1 { CB:33.913 } atom: 761 92L-HA A 4.939 ambi=1 { CA:52.248 } ::sumAvg: 4.735 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 761 92L-HA A 4.939 ambi=1 { CA:52.248 } ::sumAvg: 4.97 atom: 763 92L-QB B 1.4025 ambi=2 { CB:45.243 } atom: 774 93F-HA A 5.131 ambi=1 { CA:55.708 } ::sumAvg: 4.41 atom: 774 93F-HA A 5.131 ambi=1 { CA:55.708 } atom: 763 92L-QB B 1.4025 ambi=2 { CB:45.243 } ::sumAvg: 4.41 atom: 763 92L-QB B 1.4025 ambi=2 { CB:45.243 } atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } ::sumAvg: 4.945 atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } atom: 763 92L-QB B 1.4025 ambi=2 { CB:45.243 } ::sumAvg: 4.945 atom: 763 92L-QB B 1.4025 ambi=2 { CB:45.243 } atom: 786 94R-QB B 1.92 ambi=2 { CB:31.491 } ::sumAvg: 4.59 atom: 786 94R-QB B 1.92 ambi=2 { CB:31.491 } atom: 763 92L-QB B 1.4025 ambi=2 { CB:45.243 } ::sumAvg: 4.59 atom: 763 92L-QB B 1.4025 ambi=2 { CB:45.243 } atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } ::sumAvg: 4.95 atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } atom: 763 92L-QB B 1.4025 ambi=2 { CB:45.243 } ::sumAvg: 4.95 atom: 763 92L-QB B 1.4025 ambi=2 { CB:45.243 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } ::sumAvg: 4.78 atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 763 92L-QB B 1.4025 ambi=2 { CB:45.243 } ::sumAvg: 4.78 atom: 763 92L-QB B 1.4025 ambi=2 { CB:45.243 } atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } ::sumAvg: 4.76 atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } atom: 763 92L-QB B 1.4025 ambi=2 { CB:45.243 } ::sumAvg: 4.76 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 763 92L-QB B 1.4025 ambi=2 { CB:45.243 } ::sumAvg: 2.925 atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } atom: 765 92L-HD1 D1 0.802 ambi=2 { CD1:23.617 } :: atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } atom: 766 92L-HD2 D2 0.732 ambi=2 { CD2:24.75 } ::sumAvg: 4.91 atom: 786 94R-QB B 1.92 ambi=2 { CB:31.491 } atom: 765 92L-HD1 D1 0.802 ambi=2 { CD1:23.617 } :: atom: 786 94R-QB B 1.92 ambi=2 { CB:31.491 } atom: 766 92L-HD2 D2 0.732 ambi=2 { CD2:24.75 } ::sumAvg: 4.34 atom: 765 92L-HD1 D1 0.802 ambi=2 { CD1:23.617 } atom: 881 105V-H N 8.521 ambi=1 { N:126.061 } :: atom: 766 92L-HD2 D2 0.732 ambi=2 { CD2:24.75 } atom: 881 105V-H N 8.521 ambi=1 { N:126.061 } ::sumAvg: 4.765 atom: 784 94R-HA A 5.18 ambi=1 { CA:53.014 } atom: 773 93F-H N 8.005 ambi=1 { N:117.732 } ::sumAvg: 4.925 atom: 786 94R-QB B 1.92 ambi=2 { CB:31.491 } atom: 773 93F-H N 8.005 ambi=1 { N:117.732 } ::sumAvg: 4.86 atom: 774 93F-HA A 5.131 ambi=1 { CA:55.708 } atom: 786 94R-QB B 1.92 ambi=2 { CB:31.491 } ::sumAvg: 4.285 atom: 774 93F-HA A 5.131 ambi=1 { CA:55.708 } atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } ::sumAvg: 2.945 atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } atom: 774 93F-HA A 5.131 ambi=1 { CA:55.708 } ::sumAvg: 2.945 atom: 774 93F-HA A 5.131 ambi=1 { CA:55.708 } atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } :: atom: 774 93F-HA A 5.131 ambi=1 { CA:55.708 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } ::sumAvg: 3.24 atom: 774 93F-HA A 5.131 ambi=1 { CA:55.708 } atom: 881 105V-H N 8.521 ambi=1 { N:126.061 } ::sumAvg: 3.52 atom: 774 93F-HA A 5.131 ambi=1 { CA:55.708 } atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } ::sumAvg: 4.46 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 774 93F-HA A 5.131 ambi=1 { CA:55.708 } ::sumAvg: 4.46 atom: 775 93F-HB2 B 3.076 ambi=2 { CB:40.313 } atom: 784 94R-HA A 5.18 ambi=1 { CA:53.014 } :: atom: 776 93F-HB3 B 2.639 ambi=2 { CB:40.313 } atom: 784 94R-HA A 5.18 ambi=1 { CA:53.014 } ::sumAvg: 4.47 atom: 775 93F-HB2 B 3.076 ambi=2 { CB:40.313 } atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } :: atom: 776 93F-HB3 B 2.639 ambi=2 { CB:40.313 } atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } ::sumAvg: 4.985 atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } atom: 775 93F-HB2 B 3.076 ambi=2 { CB:40.313 } :: atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } atom: 776 93F-HB3 B 2.639 ambi=2 { CB:40.313 } ::sumAvg: 4.985 atom: 775 93F-HB2 B 3.076 ambi=2 { CB:40.313 } atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } :: atom: 775 93F-HB2 B 3.076 ambi=2 { CB:40.313 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } :: atom: 776 93F-HB3 B 2.639 ambi=2 { CB:40.313 } atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } :: atom: 776 93F-HB3 B 2.639 ambi=2 { CB:40.313 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } ::sumAvg: 4.195 atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } atom: 855 102T-HB B 4.01 ambi=1 { CB:71.362 } ::sumAvg: 4.805 atom: 855 102T-HB B 4.01 ambi=1 { CB:71.362 } atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } ::sumAvg: 4.805 atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } ::sumAvg: 3.465 atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } ::sumAvg: 3.465 atom: 777 93F-QD D 6.945 ambi=3 { CD1:132.17 } atom: 881 105V-H N 8.521 ambi=1 { N:126.061 } ::sumAvg: 4.475 atom: 801 95P-HD2 D 3.949 ambi=2 { CD:50.357 } atom: 783 94R-H N 9.122 ambi=1 { N:122.292 } :: atom: 802 95P-HD3 D 3.721 ambi=2 { CD:50.357 } atom: 783 94R-H N 9.122 ambi=1 { N:122.292 } ::sumAvg: 4.535 atom: 854 102T-HA A 4.754 ambi=1 { CA:62.021 } atom: 783 94R-H N 9.122 ambi=1 { N:122.292 } ::sumAvg: 4.97 atom: 863 103E-HB2 B 2.032 ambi=2 { CB:30.713 } atom: 783 94R-H N 9.122 ambi=1 { N:122.292 } :: atom: 864 103E-HB3 B 1.699 ambi=2 { CB:30.713 } atom: 783 94R-H N 9.122 ambi=1 { N:122.292 } ::sumAvg: 4.38 atom: 865 103E-HG2 G 2.034 ambi=2 { CG:36.01 } atom: 783 94R-H N 9.122 ambi=1 { N:122.292 } :: atom: 866 103E-HG3 G 1.95 ambi=2 { CG:36.01 } atom: 783 94R-H N 9.122 ambi=1 { N:122.292 } ::sumAvg: 4.82 atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } atom: 783 94R-H N 9.122 ambi=1 { N:122.292 } ::sumAvg: 3.65 atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } atom: 783 94R-H N 9.122 ambi=1 { N:122.292 } :: atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 783 94R-H N 9.122 ambi=1 { N:122.292 } ::sumAvg: 4.095 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 783 94R-H N 9.122 ambi=1 { N:122.292 } ::sumAvg: 4.085 atom: 784 94R-HA A 5.18 ambi=1 { CA:53.014 } atom: 796 95P-HA A 4.691 ambi=1 { CA:63.578 } ::sumAvg: 4.43 atom: 796 95P-HA A 4.691 ambi=1 { CA:63.578 } atom: 784 94R-HA A 5.18 ambi=1 { CA:53.014 } ::sumAvg: 4.43 atom: 784 94R-HA A 5.18 ambi=1 { CA:53.014 } atom: 799 95P-HG2 G 2.201 ambi=2 { CG:27.632 } :: atom: 784 94R-HA A 5.18 ambi=1 { CA:53.014 } atom: 800 95P-HG3 G 2.092 ambi=2 { CG:27.632 } ::sumAvg: 4.32 atom: 799 95P-HG2 G 2.201 ambi=2 { CG:27.632 } atom: 784 94R-HA A 5.18 ambi=1 { CA:53.014 } :: atom: 800 95P-HG3 G 2.092 ambi=2 { CG:27.632 } atom: 784 94R-HA A 5.18 ambi=1 { CA:53.014 } ::sumAvg: 4.32 atom: 784 94R-HA A 5.18 ambi=1 { CA:53.014 } atom: 801 95P-HD2 D 3.949 ambi=2 { CD:50.357 } :: atom: 784 94R-HA A 5.18 ambi=1 { CA:53.014 } atom: 802 95P-HD3 D 3.721 ambi=2 { CD:50.357 } ::sumAvg: 2.155 atom: 784 94R-HA A 5.18 ambi=1 { CA:53.014 } atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } ::sumAvg: 3.93 atom: 786 94R-QB B 1.92 ambi=2 { CB:31.491 } atom: 861 103E-H N 9.856 ambi=1 { N:129.111 } ::sumAvg: 4.495 atom: 786 94R-QB B 1.92 ambi=2 { CB:31.491 } atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } ::sumAvg: 3.925 atom: 787 94R-HG2 G 1.644 ambi=2 { CG:25.953 } atom: 801 95P-HD2 D 3.949 ambi=2 { CD:50.357 } :: atom: 787 94R-HG2 G 1.644 ambi=2 { CG:25.953 } atom: 802 95P-HD3 D 3.721 ambi=2 { CD:50.357 } :: atom: 788 94R-HG3 G 1.552 ambi=2 { CG:25.953 } atom: 801 95P-HD2 D 3.949 ambi=2 { CD:50.357 } :: atom: 788 94R-HG3 G 1.552 ambi=2 { CG:25.953 } atom: 802 95P-HD3 D 3.721 ambi=2 { CD:50.357 } ::sumAvg: 3.45 atom: 801 95P-HD2 D 3.949 ambi=2 { CD:50.357 } atom: 787 94R-HG2 G 1.644 ambi=2 { CG:25.953 } :: atom: 802 95P-HD3 D 3.721 ambi=2 { CD:50.357 } atom: 787 94R-HG2 G 1.644 ambi=2 { CG:25.953 } :: atom: 801 95P-HD2 D 3.949 ambi=2 { CD:50.357 } atom: 788 94R-HG3 G 1.552 ambi=2 { CG:25.953 } :: atom: 802 95P-HD3 D 3.721 ambi=2 { CD:50.357 } atom: 788 94R-HG3 G 1.552 ambi=2 { CG:25.953 } ::sumAvg: 3.45 atom: 787 94R-HG2 G 1.644 ambi=2 { CG:25.953 } atom: 861 103E-H N 9.856 ambi=1 { N:129.111 } :: atom: 788 94R-HG3 G 1.552 ambi=2 { CG:25.953 } atom: 861 103E-H N 9.856 ambi=1 { N:129.111 } ::sumAvg: 4.945 atom: 788 94R-HG3 G 1.552 ambi=2 { CG:25.953 } atom: 863 103E-HB2 B 2.032 ambi=2 { CB:30.713 } ::sumAvg: 3.74 atom: 788 94R-HG3 G 1.552 ambi=2 { CG:25.953 } atom: 865 103E-HG2 G 2.034 ambi=2 { CG:36.01 } ::sumAvg: 4.95 atom: 865 103E-HG2 G 2.034 ambi=2 { CG:36.01 } atom: 788 94R-HG3 G 1.552 ambi=2 { CG:25.953 } ::sumAvg: 4.95 atom: 789 94R-HD2 D 3.088 ambi=2 { CD:43.813 } atom: 801 95P-HD2 D 3.949 ambi=2 { CD:50.357 } :: atom: 789 94R-HD2 D 3.088 ambi=2 { CD:43.813 } atom: 802 95P-HD3 D 3.721 ambi=2 { CD:50.357 } :: atom: 790 94R-HD3 D 3.101 ambi=2 { CD:43.813 } atom: 801 95P-HD2 D 3.949 ambi=2 { CD:50.357 } :: atom: 790 94R-HD3 D 3.101 ambi=2 { CD:43.813 } atom: 802 95P-HD3 D 3.721 ambi=2 { CD:50.357 } ::sumAvg: 4.17 atom: 801 95P-HD2 D 3.949 ambi=2 { CD:50.357 } atom: 789 94R-HD2 D 3.088 ambi=2 { CD:43.813 } :: atom: 802 95P-HD3 D 3.721 ambi=2 { CD:50.357 } atom: 789 94R-HD2 D 3.088 ambi=2 { CD:43.813 } :: atom: 801 95P-HD2 D 3.949 ambi=2 { CD:50.357 } atom: 790 94R-HD3 D 3.101 ambi=2 { CD:43.813 } :: atom: 802 95P-HD3 D 3.721 ambi=2 { CD:50.357 } atom: 790 94R-HD3 D 3.101 ambi=2 { CD:43.813 } ::sumAvg: 4.17 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 789 94R-HD2 D 3.088 ambi=2 { CD:43.813 } :: atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 790 94R-HD3 D 3.101 ambi=2 { CD:43.813 } ::sumAvg: 4.34 atom: 796 95P-HA A 4.691 ambi=1 { CA:63.578 } atom: 809 96A-HB B 1.141 ambi=1 { CB:18.518 } ::sumAvg: 4.02 atom: 796 95P-HA A 4.691 ambi=1 { CA:63.578 } atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } ::sumAvg: 3.405 atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } atom: 796 95P-HA A 4.691 ambi=1 { CA:63.578 } ::sumAvg: 3.405 atom: 796 95P-HA A 4.691 ambi=1 { CA:63.578 } atom: 861 103E-H N 9.856 ambi=1 { N:129.111 } ::sumAvg: 3.31 atom: 808 96A-HA A 4.578 ambi=1 { CA:49.826 } atom: 797 95P-HB2 B 2.419 ambi=2 { CB:31.664 } :: atom: 808 96A-HA A 4.578 ambi=1 { CA:49.826 } atom: 798 95P-HB3 B 1.926 ambi=2 { CB:31.664 } ::sumAvg: 4.82 atom: 797 95P-HB2 B 2.419 ambi=2 { CB:31.664 } atom: 809 96A-HB B 1.141 ambi=1 { CB:18.518 } :: atom: 798 95P-HB3 B 1.926 ambi=2 { CB:31.664 } atom: 809 96A-HB B 1.141 ambi=1 { CB:18.518 } ::sumAvg: 4.995 atom: 809 96A-HB B 1.141 ambi=1 { CB:18.518 } atom: 797 95P-HB2 B 2.419 ambi=2 { CB:31.664 } :: atom: 809 96A-HB B 1.141 ambi=1 { CB:18.518 } atom: 798 95P-HB3 B 1.926 ambi=2 { CB:31.664 } ::sumAvg: 4.995 atom: 797 95P-HB2 B 2.419 ambi=2 { CB:31.664 } atom: 854 102T-HA A 4.754 ambi=1 { CA:62.021 } :: atom: 798 95P-HB3 B 1.926 ambi=2 { CB:31.664 } atom: 854 102T-HA A 4.754 ambi=1 { CA:62.021 } ::sumAvg: 4.855 atom: 854 102T-HA A 4.754 ambi=1 { CA:62.021 } atom: 797 95P-HB2 B 2.419 ambi=2 { CB:31.664 } :: atom: 854 102T-HA A 4.754 ambi=1 { CA:62.021 } atom: 798 95P-HB3 B 1.926 ambi=2 { CB:31.664 } ::sumAvg: 4.855 atom: 797 95P-HB2 B 2.419 ambi=2 { CB:31.664 } atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } :: atom: 798 95P-HB3 B 1.926 ambi=2 { CB:31.664 } atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } ::sumAvg: 4.965 atom: 801 95P-HD2 D 3.949 ambi=2 { CD:50.357 } atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } :: atom: 802 95P-HD3 D 3.721 ambi=2 { CD:50.357 } atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } ::sumAvg: 4.47 atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } atom: 801 95P-HD2 D 3.949 ambi=2 { CD:50.357 } :: atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } atom: 802 95P-HD3 D 3.721 ambi=2 { CD:50.357 } ::sumAvg: 4.47 atom: 818 97P-HD2 D 3.791 ambi=2 { CD:50.355 } atom: 807 96A-H N 8.414 ambi=1 { N:127.369 } :: atom: 819 97P-HD3 D 3.591 ambi=2 { CD:50.355 } atom: 807 96A-H N 8.414 ambi=1 { N:127.369 } ::sumAvg: 4.605 atom: 854 102T-HA A 4.754 ambi=1 { CA:62.021 } atom: 807 96A-H N 8.414 ambi=1 { N:127.369 } ::sumAvg: 2.585 atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } atom: 807 96A-H N 8.414 ambi=1 { N:127.369 } ::sumAvg: 4.05 atom: 863 103E-HB2 B 2.032 ambi=2 { CB:30.713 } atom: 807 96A-H N 8.414 ambi=1 { N:127.369 } :: atom: 864 103E-HB3 B 1.699 ambi=2 { CB:30.713 } atom: 807 96A-H N 8.414 ambi=1 { N:127.369 } ::sumAvg: 4.475 atom: 808 96A-HA A 4.578 ambi=1 { CA:49.826 } atom: 816 97P-HG2 G 2.053 ambi=2 { CG:27.606 } :: atom: 808 96A-HA A 4.578 ambi=1 { CA:49.826 } atom: 817 97P-HG3 G 2.012 ambi=2 { CG:27.606 } ::sumAvg: 4.385 atom: 808 96A-HA A 4.578 ambi=1 { CA:49.826 } atom: 818 97P-HD2 D 3.791 ambi=2 { CD:50.355 } :: atom: 808 96A-HA A 4.578 ambi=1 { CA:49.826 } atom: 819 97P-HD3 D 3.591 ambi=2 { CD:50.355 } ::sumAvg: 2.185 atom: 808 96A-HA A 4.578 ambi=1 { CA:49.826 } atom: 861 103E-H N 9.856 ambi=1 { N:129.111 } ::sumAvg: 3.975 atom: 808 96A-HA A 4.578 ambi=1 { CA:49.826 } atom: 863 103E-HB2 B 2.032 ambi=2 { CB:30.713 } :: atom: 808 96A-HA A 4.578 ambi=1 { CA:49.826 } atom: 864 103E-HB3 B 1.699 ambi=2 { CB:30.713 } ::sumAvg: 3.485 atom: 813 97P-HA A 4.409 ambi=1 { CA:63.491 } atom: 809 96A-HB B 1.141 ambi=1 { CB:18.518 } ::sumAvg: 4.525 atom: 814 97P-HB2 B 2.304 ambi=2 { CB:31.491 } atom: 809 96A-HB B 1.141 ambi=1 { CB:18.518 } :: atom: 815 97P-HB3 B 1.875 ambi=2 { CB:31.491 } atom: 809 96A-HB B 1.141 ambi=1 { CB:18.518 } ::sumAvg: 4.755 atom: 836 100R-HA A 4.27 ambi=1 { CA:56.226 } atom: 809 96A-HB B 1.141 ambi=1 { CB:18.518 } ::sumAvg: 4.395 atom: 809 96A-HB B 1.141 ambi=1 { CB:18.518 } atom: 839 100R-QG G 1.57 ambi=2 { CG:27.31 } ::sumAvg: 3.275 atom: 839 100R-QG G 1.57 ambi=2 { CG:27.31 } atom: 809 96A-HB B 1.141 ambi=1 { CB:18.518 } ::sumAvg: 3.275 atom: 809 96A-HB B 1.141 ambi=1 { CB:18.518 } atom: 842 100R-QD D 3.1845 ambi=2 { CD:43.1 } ::sumAvg: 3.92 atom: 842 100R-QD D 3.1845 ambi=2 { CD:43.1 } atom: 809 96A-HB B 1.141 ambi=1 { CB:18.518 } ::sumAvg: 3.92 atom: 854 102T-HA A 4.754 ambi=1 { CA:62.021 } atom: 809 96A-HB B 1.141 ambi=1 { CB:18.518 } ::sumAvg: 3.185 atom: 862 103E-HA A 4.876 ambi=1 { CA:55.275 } atom: 809 96A-HB B 1.141 ambi=1 { CB:18.518 } ::sumAvg: 3.84 atom: 825 98G-HA2 A 3.878 ambi=2 { CA:46.194 } atom: 813 97P-HA A 4.409 ambi=1 { CA:63.491 } :: atom: 826 98G-HA3 A 3.827 ambi=2 { CA:46.194 } atom: 813 97P-HA A 4.409 ambi=1 { CA:63.491 } ::sumAvg: 4.375 atom: 825 98G-HA2 A 3.878 ambi=2 { CA:46.194 } atom: 814 97P-HB2 B 2.304 ambi=2 { CB:31.491 } :: atom: 826 98G-HA3 A 3.827 ambi=2 { CA:46.194 } atom: 814 97P-HB2 B 2.304 ambi=2 { CB:31.491 } :: atom: 825 98G-HA2 A 3.878 ambi=2 { CA:46.194 } atom: 815 97P-HB3 B 1.875 ambi=2 { CB:31.491 } :: atom: 826 98G-HA3 A 3.827 ambi=2 { CA:46.194 } atom: 815 97P-HB3 B 1.875 ambi=2 { CB:31.491 } ::sumAvg: 4.36 atom: 814 97P-HB2 B 2.304 ambi=2 { CB:31.491 } atom: 829 99A-H N 8.25 ambi=1 { N:120.934 } :: atom: 815 97P-HB3 B 1.875 ambi=2 { CB:31.491 } atom: 829 99A-H N 8.25 ambi=1 { N:120.934 } ::sumAvg: 4.045 atom: 814 97P-HB2 B 2.304 ambi=2 { CB:31.491 } atom: 842 100R-QD D 3.1845 ambi=2 { CD:43.1 } :: atom: 815 97P-HB3 B 1.875 ambi=2 { CB:31.491 } atom: 842 100R-QD D 3.1845 ambi=2 { CD:43.1 } ::sumAvg: 4.835 atom: 837 100R-HB2 B 1.86 ambi=2 { CB:30 } atom: 818 97P-HD2 D 3.791 ambi=2 { CD:50.355 } :: atom: 838 100R-HB3 B 1.647 ambi=2 { CB:30 } atom: 818 97P-HD2 D 3.791 ambi=2 { CD:50.355 } :: atom: 837 100R-HB2 B 1.86 ambi=2 { CB:30 } atom: 819 97P-HD3 D 3.591 ambi=2 { CD:50.355 } :: atom: 838 100R-HB3 B 1.647 ambi=2 { CB:30 } atom: 819 97P-HD3 D 3.591 ambi=2 { CD:50.355 } ::sumAvg: 4.38 atom: 818 97P-HD2 D 3.791 ambi=2 { CD:50.355 } atom: 842 100R-QD D 3.1845 ambi=2 { CD:43.1 } :: atom: 819 97P-HD3 D 3.591 ambi=2 { CD:50.355 } atom: 842 100R-QD D 3.1845 ambi=2 { CD:43.1 } ::sumAvg: 4.4 atom: 842 100R-QD D 3.1845 ambi=2 { CD:43.1 } atom: 818 97P-HD2 D 3.791 ambi=2 { CD:50.355 } :: atom: 842 100R-QD D 3.1845 ambi=2 { CD:43.1 } atom: 819 97P-HD3 D 3.591 ambi=2 { CD:50.355 } ::sumAvg: 4.4 atom: 863 103E-HB2 B 2.032 ambi=2 { CB:30.713 } atom: 818 97P-HD2 D 3.791 ambi=2 { CD:50.355 } :: atom: 864 103E-HB3 B 1.699 ambi=2 { CB:30.713 } atom: 818 97P-HD2 D 3.791 ambi=2 { CD:50.355 } :: atom: 863 103E-HB2 B 2.032 ambi=2 { CB:30.713 } atom: 819 97P-HD3 D 3.591 ambi=2 { CD:50.355 } :: atom: 864 103E-HB3 B 1.699 ambi=2 { CB:30.713 } atom: 819 97P-HD3 D 3.591 ambi=2 { CD:50.355 } ::sumAvg: 4.58 atom: 830 99A-HA A 4.384 ambi=1 { CA:52.075 } atom: 824 98G-H N 8.747 ambi=1 { N:110.703 } ::sumAvg: 4.875 atom: 831 99A-HB B 1.38 ambi=1 { CB:18.345 } atom: 824 98G-H N 8.747 ambi=1 { N:110.703 } ::sumAvg: 4.88 atom: 825 98G-HA2 A 3.878 ambi=2 { CA:46.194 } atom: 830 99A-HA A 4.384 ambi=1 { CA:52.075 } :: atom: 826 98G-HA3 A 3.827 ambi=2 { CA:46.194 } atom: 830 99A-HA A 4.384 ambi=1 { CA:52.075 } ::sumAvg: 4.735 atom: 830 99A-HA A 4.384 ambi=1 { CA:52.075 } atom: 825 98G-HA2 A 3.878 ambi=2 { CA:46.194 } :: atom: 830 99A-HA A 4.384 ambi=1 { CA:52.075 } atom: 826 98G-HA3 A 3.827 ambi=2 { CA:46.194 } ::sumAvg: 4.735 atom: 825 98G-HA2 A 3.878 ambi=2 { CA:46.194 } atom: 831 99A-HB B 1.38 ambi=1 { CB:18.345 } :: atom: 826 98G-HA3 A 3.827 ambi=2 { CA:46.194 } atom: 831 99A-HB B 1.38 ambi=1 { CB:18.345 } ::sumAvg: 4.175 atom: 831 99A-HB B 1.38 ambi=1 { CB:18.345 } atom: 825 98G-HA2 A 3.878 ambi=2 { CA:46.194 } :: atom: 831 99A-HB B 1.38 ambi=1 { CB:18.345 } atom: 826 98G-HA3 A 3.827 ambi=2 { CA:46.194 } ::sumAvg: 4.175 atom: 825 98G-HA2 A 3.878 ambi=2 { CA:46.194 } atom: 835 100R-H N 7.482 ambi=1 { N:117.048 } :: atom: 826 98G-HA3 A 3.827 ambi=2 { CA:46.194 } atom: 835 100R-H N 7.482 ambi=1 { N:117.048 } ::sumAvg: 3.905 atom: 825 98G-HA2 A 3.878 ambi=2 { CA:46.194 } atom: 837 100R-HB2 B 1.86 ambi=2 { CB:30 } :: atom: 825 98G-HA2 A 3.878 ambi=2 { CA:46.194 } atom: 838 100R-HB3 B 1.647 ambi=2 { CB:30 } :: atom: 826 98G-HA3 A 3.827 ambi=2 { CA:46.194 } atom: 837 100R-HB2 B 1.86 ambi=2 { CB:30 } :: atom: 826 98G-HA3 A 3.827 ambi=2 { CA:46.194 } atom: 838 100R-HB3 B 1.647 ambi=2 { CB:30 } ::sumAvg: 4.965 atom: 837 100R-HB2 B 1.86 ambi=2 { CB:30 } atom: 825 98G-HA2 A 3.878 ambi=2 { CA:46.194 } :: atom: 838 100R-HB3 B 1.647 ambi=2 { CB:30 } atom: 825 98G-HA2 A 3.878 ambi=2 { CA:46.194 } :: atom: 837 100R-HB2 B 1.86 ambi=2 { CB:30 } atom: 826 98G-HA3 A 3.827 ambi=2 { CA:46.194 } :: atom: 838 100R-HB3 B 1.647 ambi=2 { CB:30 } atom: 826 98G-HA3 A 3.827 ambi=2 { CA:46.194 } ::sumAvg: 4.965 atom: 825 98G-HA2 A 3.878 ambi=2 { CA:46.194 } atom: 839 100R-QG G 1.57 ambi=2 { CG:27.31 } :: atom: 826 98G-HA3 A 3.827 ambi=2 { CA:46.194 } atom: 839 100R-QG G 1.57 ambi=2 { CG:27.31 } ::sumAvg: 4.475 atom: 839 100R-QG G 1.57 ambi=2 { CG:27.31 } atom: 825 98G-HA2 A 3.878 ambi=2 { CA:46.194 } :: atom: 839 100R-QG G 1.57 ambi=2 { CG:27.31 } atom: 826 98G-HA3 A 3.827 ambi=2 { CA:46.194 } ::sumAvg: 4.475 atom: 837 100R-HB2 B 1.86 ambi=2 { CB:30 } atom: 829 99A-H N 8.25 ambi=1 { N:120.934 } :: atom: 838 100R-HB3 B 1.647 ambi=2 { CB:30 } atom: 829 99A-H N 8.25 ambi=1 { N:120.934 } ::sumAvg: 4.855 atom: 830 99A-HA A 4.384 ambi=1 { CA:52.075 } atom: 848 101G-H N 7.927 ambi=1 { N:106.784 } ::sumAvg: 3.855 atom: 831 99A-HB B 1.38 ambi=1 { CB:18.345 } atom: 836 100R-HA A 4.27 ambi=1 { CA:56.226 } ::sumAvg: 4.265 atom: 836 100R-HA A 4.27 ambi=1 { CA:56.226 } atom: 831 99A-HB B 1.38 ambi=1 { CB:18.345 } ::sumAvg: 4.265 atom: 831 99A-HB B 1.38 ambi=1 { CB:18.345 } atom: 848 101G-H N 7.927 ambi=1 { N:106.784 } ::sumAvg: 4.585 atom: 849 101G-HA2 A 4.4 ambi=2 { CA:44.724 } atom: 835 100R-H N 7.482 ambi=1 { N:117.048 } :: atom: 850 101G-HA3 A 3.865 ambi=2 { CA:44.724 } atom: 835 100R-H N 7.482 ambi=1 { N:117.048 } ::sumAvg: 4.54 atom: 836 100R-HA A 4.27 ambi=1 { CA:56.226 } atom: 850 101G-HA3 A 3.865 ambi=2 { CA:44.724 } ::sumAvg: 4.55 atom: 850 101G-HA3 A 3.865 ambi=2 { CA:44.724 } atom: 836 100R-HA A 4.27 ambi=1 { CA:56.226 } ::sumAvg: 4.55 atom: 837 100R-HB2 B 1.86 ambi=2 { CB:30 } atom: 849 101G-HA2 A 4.4 ambi=2 { CA:44.724 } :: atom: 837 100R-HB2 B 1.86 ambi=2 { CB:30 } atom: 850 101G-HA3 A 3.865 ambi=2 { CA:44.724 } :: atom: 838 100R-HB3 B 1.647 ambi=2 { CB:30 } atom: 849 101G-HA2 A 4.4 ambi=2 { CA:44.724 } :: atom: 838 100R-HB3 B 1.647 ambi=2 { CB:30 } atom: 850 101G-HA3 A 3.865 ambi=2 { CA:44.724 } ::sumAvg: 4.485 atom: 849 101G-HA2 A 4.4 ambi=2 { CA:44.724 } atom: 837 100R-HB2 B 1.86 ambi=2 { CB:30 } :: atom: 850 101G-HA3 A 3.865 ambi=2 { CA:44.724 } atom: 837 100R-HB2 B 1.86 ambi=2 { CB:30 } :: atom: 849 101G-HA2 A 4.4 ambi=2 { CA:44.724 } atom: 838 100R-HB3 B 1.647 ambi=2 { CB:30 } :: atom: 850 101G-HA3 A 3.865 ambi=2 { CA:44.724 } atom: 838 100R-HB3 B 1.647 ambi=2 { CB:30 } ::sumAvg: 4.485 atom: 849 101G-HA2 A 4.4 ambi=2 { CA:44.724 } atom: 839 100R-QG G 1.57 ambi=2 { CG:27.31 } :: atom: 850 101G-HA3 A 3.865 ambi=2 { CA:44.724 } atom: 839 100R-QG G 1.57 ambi=2 { CG:27.31 } ::sumAvg: 4.745 atom: 854 102T-HA A 4.754 ambi=1 { CA:62.021 } atom: 848 101G-H N 7.927 ambi=1 { N:106.784 } ::sumAvg: 4.985 atom: 854 102T-HA A 4.754 ambi=1 { CA:62.021 } atom: 850 101G-HA3 A 3.865 ambi=2 { CA:44.724 } ::sumAvg: 4.38 atom: 862 103E-HA A 4.876 ambi=1 { CA:55.275 } atom: 853 102T-H N 9.221 ambi=1 { N:120.469 } ::sumAvg: 4.96 atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } atom: 853 102T-H N 9.221 ambi=1 { N:120.469 } :: atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 853 102T-H N 9.221 ambi=1 { N:120.469 } ::sumAvg: 4.825 atom: 854 102T-HA A 4.754 ambi=1 { CA:62.021 } atom: 863 103E-HB2 B 2.032 ambi=2 { CB:30.713 } :: atom: 854 102T-HA A 4.754 ambi=1 { CA:62.021 } atom: 864 103E-HB3 B 1.699 ambi=2 { CB:30.713 } ::sumAvg: 4.485 atom: 863 103E-HB2 B 2.032 ambi=2 { CB:30.713 } atom: 854 102T-HA A 4.754 ambi=1 { CA:62.021 } :: atom: 864 103E-HB3 B 1.699 ambi=2 { CB:30.713 } atom: 854 102T-HA A 4.754 ambi=1 { CA:62.021 } ::sumAvg: 4.485 atom: 854 102T-HA A 4.754 ambi=1 { CA:62.021 } atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } :: atom: 854 102T-HA A 4.754 ambi=1 { CA:62.021 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } ::sumAvg: 4.925 atom: 855 102T-HB B 4.01 ambi=1 { CB:71.362 } atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } :: atom: 855 102T-HB B 4.01 ambi=1 { CB:71.362 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } ::sumAvg: 3.43 atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } atom: 862 103E-HA A 4.876 ambi=1 { CA:55.275 } ::sumAvg: 3.88 atom: 862 103E-HA A 4.876 ambi=1 { CA:55.275 } atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } ::sumAvg: 3.88 atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } atom: 863 103E-HB2 B 2.032 ambi=2 { CB:30.713 } :: atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } atom: 864 103E-HB3 B 1.699 ambi=2 { CB:30.713 } ::sumAvg: 4.325 atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } ::sumAvg: 3.665 atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } ::sumAvg: 3.665 atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } ::sumAvg: 4.975 atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } ::sumAvg: 4.975 atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } ::sumAvg: 2.71 atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 856 102T-HG2 G2 1.294 ambi=1 { CG2:22.57 } ::sumAvg: 2.71 atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } atom: 861 103E-H N 9.856 ambi=1 { N:129.111 } :: atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 861 103E-H N 9.856 ambi=1 { N:129.111 } ::sumAvg: 4.53 atom: 862 103E-HA A 4.876 ambi=1 { CA:55.275 } atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } ::sumAvg: 4.535 atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } atom: 862 103E-HA A 4.876 ambi=1 { CA:55.275 } ::sumAvg: 4.535 atom: 862 103E-HA A 4.876 ambi=1 { CA:55.275 } atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } :: atom: 862 103E-HA A 4.876 ambi=1 { CA:55.275 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } ::sumAvg: 3.57 atom: 863 103E-HB2 B 2.032 ambi=2 { CB:30.713 } atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } :: atom: 864 103E-HB3 B 1.699 ambi=2 { CB:30.713 } atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } ::sumAvg: 4.835 atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } atom: 863 103E-HB2 B 2.032 ambi=2 { CB:30.713 } :: atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } atom: 864 103E-HB3 B 1.699 ambi=2 { CB:30.713 } ::sumAvg: 4.835 atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } atom: 871 104V-H N 9.321 ambi=1 { N:129.427 } ::sumAvg: 4.965 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 871 104V-H N 9.321 ambi=1 { N:129.427 } ::sumAvg: 4.245 atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } atom: 883 105V-HB B 1.773 ambi=1 { CB:33.913 } ::sumAvg: 4.57 atom: 883 105V-HB B 1.773 ambi=1 { CB:33.913 } atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } ::sumAvg: 4.57 atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } ::sumAvg: 3.58 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 872 104V-HA A 4.635 ambi=1 { CA:60.81 } ::sumAvg: 3.58 atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } ::sumAvg: 4.96 atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } ::sumAvg: 4.96 atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } atom: 894 106V-HG1 G1 0.885 ambi=2 { CG1:23.207 } :: atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } atom: 895 106V-HG2 G2 0.662 ambi=2 { CG2:22.57 } ::sumAvg: 3.925 atom: 894 106V-HG1 G1 0.885 ambi=2 { CG1:23.207 } atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } :: atom: 895 106V-HG2 G2 0.662 ambi=2 { CG2:22.57 } atom: 873 104V-HB B 2.129 ambi=1 { CB:32.443 } ::sumAvg: 3.925 atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } :: atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } ::sumAvg: 3.92 atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } :: atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } ::sumAvg: 3.92 atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } ::sumAvg: 4.11 atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } :: atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } ::sumAvg: 4.49 atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } :: atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } ::sumAvg: 4.49 atom: 874 104V-HG1 G1 1.164 ambi=2 { CG1:22.658 } atom: 895 106V-HG2 G2 0.662 ambi=2 { CG2:22.57 } :: atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 894 106V-HG1 G1 0.885 ambi=2 { CG1:23.207 } ::sumAvg: 2.215 atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 1062 137L-HD1 D1 0.984 ambi=2 { CD1:21.443 } :: atom: 875 104V-HG2 G2 0.42 ambi=2 { CG2:20.34 } atom: 1063 137L-HD2 D2 0.876 ambi=2 { CD2:25.29 } ::sumAvg: 4.375 atom: 894 106V-HG1 G1 0.885 ambi=2 { CG1:23.207 } atom: 881 105V-H N 8.521 ambi=1 { N:126.061 } :: atom: 895 106V-HG2 G2 0.662 ambi=2 { CG2:22.57 } atom: 881 105V-H N 8.521 ambi=1 { N:126.061 } ::sumAvg: 4.075 atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } ::sumAvg: 4.57 atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } ::sumAvg: 4.57 atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } atom: 894 106V-HG1 G1 0.885 ambi=2 { CG1:23.207 } :: atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } atom: 895 106V-HG2 G2 0.662 ambi=2 { CG2:22.57 } ::sumAvg: 3.55 atom: 894 106V-HG1 G1 0.885 ambi=2 { CG1:23.207 } atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } :: atom: 895 106V-HG2 G2 0.662 ambi=2 { CG2:22.57 } atom: 882 105V-HA A 4.516 ambi=1 { CA:60.551 } ::sumAvg: 3.55 atom: 883 105V-HB B 1.773 ambi=1 { CB:33.913 } atom: 892 106V-HA A 4.637 ambi=1 { CA:60.897 } ::sumAvg: 4.85 atom: 892 106V-HA A 4.637 ambi=1 { CA:60.897 } atom: 883 105V-HB B 1.773 ambi=1 { CB:33.913 } ::sumAvg: 4.85 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 892 106V-HA A 4.637 ambi=1 { CA:60.897 } ::sumAvg: 3.735 atom: 892 106V-HA A 4.637 ambi=1 { CA:60.897 } atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } ::sumAvg: 3.735 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } ::sumAvg: 4.66 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 901 107R-H N 8.681 ambi=1 { N:126.718 } ::sumAvg: 4.085 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } ::sumAvg: 4.495 atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } ::sumAvg: 4.495 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 906 107R-QG G 1.388 ambi=2 { CG:27.133 } ::sumAvg: 3.745 atom: 906 107R-QG G 1.388 ambi=2 { CG:27.133 } atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } ::sumAvg: 3.745 atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } atom: 908 107R-QD D 3.093 ambi=2 { CD:43.1 } ::sumAvg: 3.925 atom: 908 107R-QD D 3.093 ambi=2 { CD:43.1 } atom: 884 105V-QG G 0.712 ambi=2 { QCG:21.361 } ::sumAvg: 3.925 atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 891 106V-H N 8.786 ambi=1 { N:126.294 } ::sumAvg: 4.99 atom: 892 106V-HA A 4.637 ambi=1 { CA:60.897 } atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } ::sumAvg: 4.375 atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 892 106V-HA A 4.637 ambi=1 { CA:60.897 } ::sumAvg: 4.375 atom: 892 106V-HA A 4.637 ambi=1 { CA:60.897 } atom: 904 107R-QB B 1.7305 ambi=2 { CB:32.875 } ::sumAvg: 4.285 atom: 904 107R-QB B 1.7305 ambi=2 { CB:32.875 } atom: 892 106V-HA A 4.637 ambi=1 { CA:60.897 } ::sumAvg: 4.285 atom: 892 106V-HA A 4.637 ambi=1 { CA:60.897 } atom: 906 107R-QG G 1.388 ambi=2 { CG:27.133 } ::sumAvg: 4.87 atom: 906 107R-QG G 1.388 ambi=2 { CG:27.133 } atom: 892 106V-HA A 4.637 ambi=1 { CA:60.897 } ::sumAvg: 4.87 atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } ::sumAvg: 4.835 atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } ::sumAvg: 4.835 atom: 1062 137L-HD1 D1 0.984 ambi=2 { CD1:21.443 } atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } :: atom: 1063 137L-HD2 D2 0.876 ambi=2 { CD2:25.29 } atom: 893 106V-HB B 1.859 ambi=1 { CB:33.999 } ::sumAvg: 3.245 atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 894 106V-HG1 G1 0.885 ambi=2 { CG1:23.207 } :: atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 895 106V-HG2 G2 0.662 ambi=2 { CG2:22.57 } ::sumAvg: 3.57 atom: 894 106V-HG1 G1 0.885 ambi=2 { CG1:23.207 } atom: 904 107R-QB B 1.7305 ambi=2 { CB:32.875 } :: atom: 895 106V-HG2 G2 0.662 ambi=2 { CG2:22.57 } atom: 904 107R-QB B 1.7305 ambi=2 { CB:32.875 } ::sumAvg: 4.455 atom: 904 107R-QB B 1.7305 ambi=2 { CB:32.875 } atom: 894 106V-HG1 G1 0.885 ambi=2 { CG1:23.207 } :: atom: 904 107R-QB B 1.7305 ambi=2 { CB:32.875 } atom: 895 106V-HG2 G2 0.662 ambi=2 { CG2:22.57 } ::sumAvg: 4.455 atom: 906 107R-QG G 1.388 ambi=2 { CG:27.133 } atom: 894 106V-HG1 G1 0.885 ambi=2 { CG1:23.207 } :: atom: 906 107R-QG G 1.388 ambi=2 { CG:27.133 } atom: 895 106V-HG2 G2 0.662 ambi=2 { CG2:22.57 } ::sumAvg: 4.77 atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } atom: 894 106V-HG1 G1 0.885 ambi=2 { CG1:23.207 } :: atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } atom: 895 106V-HG2 G2 0.662 ambi=2 { CG2:22.57 } ::sumAvg: 4.96 atom: 915 108L-HA A 5.23 ambi=1 { CA:53.199 } atom: 901 107R-H N 8.681 ambi=1 { N:126.718 } ::sumAvg: 4.91 atom: 916 108L-HB2 B 1.894 ambi=2 { CB:44.983 } atom: 901 107R-H N 8.681 ambi=1 { N:126.718 } :: atom: 917 108L-HB3 B 1.606 ambi=2 { CB:44.983 } atom: 901 107R-H N 8.681 ambi=1 { N:126.718 } ::sumAvg: 4.92 atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 916 108L-HB2 B 1.894 ambi=2 { CB:44.983 } :: atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 917 108L-HB3 B 1.606 ambi=2 { CB:44.983 } ::sumAvg: 4.655 atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 919 108L-HD1 D1 0.957 ambi=2 { CD1:23.053 } :: atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 920 108L-HD2 D2 0.908 ambi=2 { CD2:23.01 } ::sumAvg: 4.415 atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 1062 137L-HD1 D1 0.984 ambi=2 { CD1:21.443 } :: atom: 902 107R-HA A 5.208 ambi=1 { CA:54.324 } atom: 1063 137L-HD2 D2 0.876 ambi=2 { CD2:25.29 } ::sumAvg: 4.935 atom: 915 108L-HA A 5.23 ambi=1 { CA:53.199 } atom: 904 107R-QB B 1.7305 ambi=2 { CB:32.875 } ::sumAvg: 4.405 atom: 915 108L-HA A 5.23 ambi=1 { CA:53.199 } atom: 906 107R-QG G 1.388 ambi=2 { CG:27.133 } ::sumAvg: 4.75 atom: 928 109T-HA A 5.549 ambi=1 { CA:60.118 } atom: 914 108L-H N 9.515 ambi=1 { N:126.868 } ::sumAvg: 4.81 atom: 915 108L-HA A 5.23 ambi=1 { CA:53.199 } atom: 929 109T-HB B 3.841 ambi=1 { CB:70.67 } ::sumAvg: 4.705 atom: 929 109T-HB B 3.841 ambi=1 { CB:70.67 } atom: 915 108L-HA A 5.23 ambi=1 { CA:53.199 } ::sumAvg: 4.705 atom: 916 108L-HB2 B 1.894 ambi=2 { CB:44.983 } atom: 928 109T-HA A 5.549 ambi=1 { CA:60.118 } :: atom: 917 108L-HB3 B 1.606 ambi=2 { CB:44.983 } atom: 928 109T-HA A 5.549 ambi=1 { CA:60.118 } ::sumAvg: 4.83 atom: 928 109T-HA A 5.549 ambi=1 { CA:60.118 } atom: 916 108L-HB2 B 1.894 ambi=2 { CB:44.983 } :: atom: 928 109T-HA A 5.549 ambi=1 { CA:60.118 } atom: 917 108L-HB3 B 1.606 ambi=2 { CB:44.983 } ::sumAvg: 4.83 atom: 916 108L-HB2 B 1.894 ambi=2 { CB:44.983 } atom: 939 110Y-QD D 6.534 ambi=3 { CD1:132.54 } :: atom: 917 108L-HB3 B 1.606 ambi=2 { CB:44.983 } atom: 939 110Y-QD D 6.534 ambi=3 { CD1:132.54 } ::sumAvg: 4.475 atom: 939 110Y-QD D 6.534 ambi=3 { CD1:132.54 } atom: 916 108L-HB2 B 1.894 ambi=2 { CB:44.983 } :: atom: 939 110Y-QD D 6.534 ambi=3 { CD1:132.54 } atom: 917 108L-HB3 B 1.606 ambi=2 { CB:44.983 } ::sumAvg: 4.475 atom: 919 108L-HD1 D1 0.957 ambi=2 { CD1:23.053 } atom: 928 109T-HA A 5.549 ambi=1 { CA:60.118 } :: atom: 920 108L-HD2 D2 0.908 ambi=2 { CD2:23.01 } atom: 928 109T-HA A 5.549 ambi=1 { CA:60.118 } ::sumAvg: 4.3 atom: 937 110Y-HB2 B 2.941 ambi=2 { CB:40.745 } atom: 919 108L-HD1 D1 0.957 ambi=2 { CD1:23.053 } :: atom: 938 110Y-HB3 B 2.647 ambi=2 { CB:40.745 } atom: 919 108L-HD1 D1 0.957 ambi=2 { CD1:23.053 } :: atom: 937 110Y-HB2 B 2.941 ambi=2 { CB:40.745 } atom: 920 108L-HD2 D2 0.908 ambi=2 { CD2:23.01 } :: atom: 938 110Y-HB3 B 2.647 ambi=2 { CB:40.745 } atom: 920 108L-HD2 D2 0.908 ambi=2 { CD2:23.01 } ::sumAvg: 4.43 atom: 919 108L-HD1 D1 0.957 ambi=2 { CD1:23.053 } atom: 939 110Y-QD D 6.534 ambi=3 { CD1:132.54 } :: atom: 920 108L-HD2 D2 0.908 ambi=2 { CD2:23.01 } atom: 939 110Y-QD D 6.534 ambi=3 { CD1:132.54 } ::sumAvg: 4.195 atom: 919 108L-HD1 D1 0.957 ambi=2 { CD1:23.053 } atom: 941 110Y-QE E 6.498 ambi=3 { CE1:117.266 } :: atom: 920 108L-HD2 D2 0.908 ambi=2 { CD2:23.01 } atom: 941 110Y-QE E 6.498 ambi=3 { CE1:117.266 } ::sumAvg: 4.86 atom: 928 109T-HA A 5.549 ambi=1 { CA:60.118 } atom: 937 110Y-HB2 B 2.941 ambi=2 { CB:40.745 } :: atom: 928 109T-HA A 5.549 ambi=1 { CA:60.118 } atom: 938 110Y-HB3 B 2.647 ambi=2 { CB:40.745 } ::sumAvg: 4.445 atom: 937 110Y-HB2 B 2.941 ambi=2 { CB:40.745 } atom: 928 109T-HA A 5.549 ambi=1 { CA:60.118 } :: atom: 938 110Y-HB3 B 2.647 ambi=2 { CB:40.745 } atom: 928 109T-HA A 5.549 ambi=1 { CA:60.118 } ::sumAvg: 4.445 atom: 928 109T-HA A 5.549 ambi=1 { CA:60.118 } atom: 939 110Y-QD D 6.534 ambi=3 { CD1:132.54 } ::sumAvg: 4.56 atom: 939 110Y-QD D 6.534 ambi=3 { CD1:132.54 } atom: 928 109T-HA A 5.549 ambi=1 { CA:60.118 } ::sumAvg: 4.56 atom: 929 109T-HB B 3.841 ambi=1 { CB:70.67 } atom: 936 110Y-HA A 5.373 ambi=1 { CA:56.14 } ::sumAvg: 4.855 atom: 936 110Y-HA A 5.373 ambi=1 { CA:56.14 } atom: 929 109T-HB B 3.841 ambi=1 { CB:70.67 } ::sumAvg: 4.855 atom: 930 109T-HG2 G2 0.953 ambi=1 { CG2:20.912 } atom: 936 110Y-HA A 5.373 ambi=1 { CA:56.14 } ::sumAvg: 3.69 atom: 936 110Y-HA A 5.373 ambi=1 { CA:56.14 } atom: 930 109T-HG2 G2 0.953 ambi=1 { CG2:20.912 } ::sumAvg: 3.69 atom: 937 110Y-HB2 B 2.941 ambi=2 { CB:40.745 } atom: 930 109T-HG2 G2 0.953 ambi=1 { CG2:20.912 } :: atom: 938 110Y-HB3 B 2.647 ambi=2 { CB:40.745 } atom: 930 109T-HG2 G2 0.953 ambi=1 { CG2:20.912 } ::sumAvg: 4.54 atom: 930 109T-HG2 G2 0.953 ambi=1 { CG2:20.912 } atom: 948 111R-H N 7.953 ambi=1 { N:120.511 } ::sumAvg: 3.895 atom: 930 109T-HG2 G2 0.953 ambi=1 { CG2:20.912 } atom: 949 111R-HA A 4.963 ambi=1 { CA:52.075 } ::sumAvg: 4.7 atom: 949 111R-HA A 4.963 ambi=1 { CA:52.075 } atom: 930 109T-HG2 G2 0.953 ambi=1 { CG2:20.912 } ::sumAvg: 4.7 atom: 930 109T-HG2 G2 0.953 ambi=1 { CG2:20.912 } atom: 953 111R-QG G 1.4975 ambi=2 { CG:27.163 } ::sumAvg: 4.2 atom: 930 109T-HG2 G2 0.953 ambi=1 { CG2:20.912 } atom: 954 111R-QD D 3.1025 ambi=2 { CD:43.1 } ::sumAvg: 4.92 atom: 936 110Y-HA A 5.373 ambi=1 { CA:56.14 } atom: 949 111R-HA A 4.963 ambi=1 { CA:52.075 } ::sumAvg: 4.385 atom: 949 111R-HA A 4.963 ambi=1 { CA:52.075 } atom: 936 110Y-HA A 5.373 ambi=1 { CA:56.14 } ::sumAvg: 4.385 atom: 936 110Y-HA A 5.373 ambi=1 { CA:56.14 } atom: 950 111R-HB2 B 1.845 ambi=2 { CB:32.01 } :: atom: 936 110Y-HA A 5.373 ambi=1 { CA:56.14 } atom: 951 111R-HB3 B 1.613 ambi=2 { CB:32.01 } ::sumAvg: 4.69 atom: 950 111R-HB2 B 1.845 ambi=2 { CB:32.01 } atom: 936 110Y-HA A 5.373 ambi=1 { CA:56.14 } :: atom: 951 111R-HB3 B 1.613 ambi=2 { CB:32.01 } atom: 936 110Y-HA A 5.373 ambi=1 { CA:56.14 } ::sumAvg: 4.69 atom: 936 110Y-HA A 5.373 ambi=1 { CA:56.14 } atom: 953 111R-QG G 1.4975 ambi=2 { CG:27.163 } ::sumAvg: 4.64 atom: 937 110Y-HB2 B 2.941 ambi=2 { CB:40.745 } atom: 949 111R-HA A 4.963 ambi=1 { CA:52.075 } :: atom: 938 110Y-HB3 B 2.647 ambi=2 { CB:40.745 } atom: 949 111R-HA A 4.963 ambi=1 { CA:52.075 } ::sumAvg: 4.605 atom: 949 111R-HA A 4.963 ambi=1 { CA:52.075 } atom: 937 110Y-HB2 B 2.941 ambi=2 { CB:40.745 } :: atom: 949 111R-HA A 4.963 ambi=1 { CA:52.075 } atom: 938 110Y-HB3 B 2.647 ambi=2 { CB:40.745 } ::sumAvg: 4.605 atom: 939 110Y-QD D 6.534 ambi=3 { CD1:132.54 } atom: 949 111R-HA A 4.963 ambi=1 { CA:52.075 } ::sumAvg: 4.91 atom: 949 111R-HA A 4.963 ambi=1 { CA:52.075 } atom: 939 110Y-QD D 6.534 ambi=3 { CD1:132.54 } ::sumAvg: 4.91 atom: 961 113P-HA A 4.545 ambi=1 { CA:64.529 } atom: 974 114G-HA3 A 3.909 ambi=2 { CA:44.291 } ::sumAvg: 4.52 atom: 973 114G-HA2 A 4.16 ambi=2 { CA:44.291 } atom: 962 113P-HB2 B 2.376 ambi=2 { CB:31.098 } :: atom: 974 114G-HA3 A 3.909 ambi=2 { CA:44.291 } atom: 962 113P-HB2 B 2.376 ambi=2 { CB:31.098 } :: atom: 973 114G-HA2 A 4.16 ambi=2 { CA:44.291 } atom: 963 113P-HB3 B 1.575 ambi=2 { CB:31.098 } :: atom: 974 114G-HA3 A 3.909 ambi=2 { CA:44.291 } atom: 963 113P-HB3 B 1.575 ambi=2 { CB:31.098 } ::sumAvg: 4.555 atom: 962 113P-HB2 B 2.376 ambi=2 { CB:31.098 } atom: 977 115G-H N 8.448 ambi=1 { N:107.054 } :: atom: 963 113P-HB3 B 1.575 ambi=2 { CB:31.098 } atom: 977 115G-H N 8.448 ambi=1 { N:107.054 } ::sumAvg: 4.71 atom: 983 116S-HA A 4.264 ambi=1 { CA:60.378 } atom: 977 115G-H N 8.448 ambi=1 { N:107.054 } ::sumAvg: 4.99 atom: 991 117A-HB B 1.444 ambi=1 { CB:18.605 } atom: 977 115G-H N 8.448 ambi=1 { N:107.054 } ::sumAvg: 4.91 atom: 996 118G-HA2 A 3.998 ambi=2 { CA:46.886 } atom: 977 115G-H N 8.448 ambi=1 { N:107.054 } :: atom: 997 118G-HA3 A 3.693 ambi=2 { CA:46.886 } atom: 977 115G-H N 8.448 ambi=1 { N:107.054 } ::sumAvg: 4.875 atom: 978 115G-HA2 A 4.142 ambi=2 { CA:45.416 } atom: 989 117A-H N 8.515 ambi=1 { N:123.565 } :: atom: 979 115G-HA3 A 3.927 ambi=2 { CA:45.416 } atom: 989 117A-H N 8.515 ambi=1 { N:123.565 } ::sumAvg: 3.785 atom: 978 115G-HA2 A 4.142 ambi=2 { CA:45.416 } atom: 995 118G-H N 7.631 ambi=1 { N:104.514 } :: atom: 979 115G-HA3 A 3.927 ambi=2 { CA:45.416 } atom: 995 118G-H N 7.631 ambi=1 { N:104.514 } ::sumAvg: 4.325 atom: 991 117A-HB B 1.444 ambi=1 { CB:18.605 } atom: 982 116S-H N 8.779 ambi=1 { N:118.86 } ::sumAvg: 4.095 atom: 983 116S-HA A 4.264 ambi=1 { CA:60.378 } atom: 991 117A-HB B 1.444 ambi=1 { CB:18.605 } ::sumAvg: 4.93 atom: 991 117A-HB B 1.444 ambi=1 { CB:18.605 } atom: 983 116S-HA A 4.264 ambi=1 { CA:60.378 } ::sumAvg: 4.93 atom: 983 116S-HA A 4.264 ambi=1 { CA:60.378 } atom: 995 118G-H N 7.631 ambi=1 { N:104.514 } ::sumAvg: 4.11 atom: 983 116S-HA A 4.264 ambi=1 { CA:60.378 } atom: 1000 119A-H N 7.808 ambi=1 { N:123.654 } ::sumAvg: 3.5 atom: 985 116S-QB B 3.935 ambi=2 { CB:62.54 } atom: 991 117A-HB B 1.444 ambi=1 { CB:18.605 } ::sumAvg: 4.34 atom: 985 116S-QB B 3.935 ambi=2 { CB:62.54 } atom: 995 118G-H N 7.631 ambi=1 { N:104.514 } ::sumAvg: 4.875 atom: 985 116S-QB B 3.935 ambi=2 { CB:62.54 } atom: 1000 119A-H N 7.808 ambi=1 { N:123.654 } ::sumAvg: 4.545 atom: 1002 119A-HB B 1.503 ambi=1 { CB:18.345 } atom: 985 116S-QB B 3.935 ambi=2 { CB:62.54 } ::sumAvg: 3.74 atom: 985 116S-QB B 3.935 ambi=2 { CB:62.54 } atom: 1009 120V-HG1 G1 1.07 ambi=2 { CG1:22.174 } :: atom: 985 116S-QB B 3.935 ambi=2 { CB:62.54 } atom: 1010 120V-HG2 G2 0.963 ambi=2 { CG2:22.042 } ::sumAvg: 4.735 atom: 996 118G-HA2 A 3.998 ambi=2 { CA:46.886 } atom: 989 117A-H N 8.515 ambi=1 { N:123.565 } :: atom: 997 118G-HA3 A 3.693 ambi=2 { CA:46.886 } atom: 989 117A-H N 8.515 ambi=1 { N:123.565 } ::sumAvg: 4.92 atom: 1002 119A-HB B 1.503 ambi=1 { CB:18.345 } atom: 989 117A-H N 8.515 ambi=1 { N:123.565 } ::sumAvg: 4.885 atom: 990 117A-HA A 4.138 ambi=1 { CA:54.41 } atom: 997 118G-HA3 A 3.693 ambi=2 { CA:46.886 } ::sumAvg: 4.8 atom: 997 118G-HA3 A 3.693 ambi=2 { CA:46.886 } atom: 990 117A-HA A 4.138 ambi=1 { CA:54.41 } ::sumAvg: 4.8 atom: 990 117A-HA A 4.138 ambi=1 { CA:54.41 } atom: 1000 119A-H N 7.808 ambi=1 { N:123.654 } ::sumAvg: 4.035 atom: 990 117A-HA A 4.138 ambi=1 { CA:54.41 } atom: 1009 120V-HG1 G1 1.07 ambi=2 { CG1:22.174 } :: atom: 990 117A-HA A 4.138 ambi=1 { CA:54.41 } atom: 1010 120V-HG2 G2 0.963 ambi=2 { CG2:22.042 } ::sumAvg: 3.005 atom: 1009 120V-HG1 G1 1.07 ambi=2 { CG1:22.174 } atom: 990 117A-HA A 4.138 ambi=1 { CA:54.41 } :: atom: 1010 120V-HG2 G2 0.963 ambi=2 { CG2:22.042 } atom: 990 117A-HA A 4.138 ambi=1 { CA:54.41 } ::sumAvg: 3.005 atom: 996 118G-HA2 A 3.998 ambi=2 { CA:46.886 } atom: 991 117A-HB B 1.444 ambi=1 { CB:18.605 } :: atom: 997 118G-HA3 A 3.693 ambi=2 { CA:46.886 } atom: 991 117A-HB B 1.444 ambi=1 { CB:18.605 } ::sumAvg: 3.905 atom: 991 117A-HB B 1.444 ambi=1 { CB:18.605 } atom: 1000 119A-H N 7.808 ambi=1 { N:123.654 } ::sumAvg: 4.55 atom: 991 117A-HB B 1.444 ambi=1 { CB:18.605 } atom: 1006 120V-H N 7.704 ambi=1 { N:117.229 } ::sumAvg: 4.505 atom: 991 117A-HB B 1.444 ambi=1 { CB:18.605 } atom: 1008 120V-HB B 2.196 ambi=1 { CB:31.578 } ::sumAvg: 4.13 atom: 1008 120V-HB B 2.196 ambi=1 { CB:31.578 } atom: 991 117A-HB B 1.444 ambi=1 { CB:18.605 } ::sumAvg: 4.13 atom: 991 117A-HB B 1.444 ambi=1 { CB:18.605 } atom: 1010 120V-HG2 G2 0.963 ambi=2 { CG2:22.042 } ::sumAvg: 4.13 atom: 1010 120V-HG2 G2 0.963 ambi=2 { CG2:22.042 } atom: 991 117A-HB B 1.444 ambi=1 { CB:18.605 } ::sumAvg: 4.13 atom: 1009 120V-HG1 G1 1.07 ambi=2 { CG1:22.174 } atom: 995 118G-H N 7.631 ambi=1 { N:104.514 } :: atom: 1010 120V-HG2 G2 0.963 ambi=2 { CG2:22.042 } atom: 995 118G-H N 7.631 ambi=1 { N:104.514 } ::sumAvg: 4.995 atom: 997 118G-HA3 A 3.693 ambi=2 { CA:46.886 } atom: 1001 119A-HA A 4.25 ambi=1 { CA:54.237 } ::sumAvg: 4.4 atom: 1001 119A-HA A 4.25 ambi=1 { CA:54.237 } atom: 997 118G-HA3 A 3.693 ambi=2 { CA:46.886 } ::sumAvg: 4.4 atom: 996 118G-HA2 A 3.998 ambi=2 { CA:46.886 } atom: 1002 119A-HB B 1.503 ambi=1 { CB:18.345 } :: atom: 997 118G-HA3 A 3.693 ambi=2 { CA:46.886 } atom: 1002 119A-HB B 1.503 ambi=1 { CB:18.345 } ::sumAvg: 4.505 atom: 996 118G-HA2 A 3.998 ambi=2 { CA:46.886 } atom: 1006 120V-H N 7.704 ambi=1 { N:117.229 } :: atom: 997 118G-HA3 A 3.693 ambi=2 { CA:46.886 } atom: 1006 120V-H N 7.704 ambi=1 { N:117.229 } ::sumAvg: 4.025 atom: 996 118G-HA2 A 3.998 ambi=2 { CA:46.886 } atom: 1008 120V-HB B 2.196 ambi=1 { CB:31.578 } :: atom: 997 118G-HA3 A 3.693 ambi=2 { CA:46.886 } atom: 1008 120V-HB B 2.196 ambi=1 { CB:31.578 } ::sumAvg: 4.74 atom: 996 118G-HA2 A 3.998 ambi=2 { CA:46.886 } atom: 1017 121I-HB B 1.8 ambi=1 { CB:37.402 } :: atom: 997 118G-HA3 A 3.693 ambi=2 { CA:46.886 } atom: 1017 121I-HB B 1.8 ambi=1 { CB:37.402 } ::sumAvg: 3.635 atom: 1017 121I-HB B 1.8 ambi=1 { CB:37.402 } atom: 996 118G-HA2 A 3.998 ambi=2 { CA:46.886 } :: atom: 1017 121I-HB B 1.8 ambi=1 { CB:37.402 } atom: 997 118G-HA3 A 3.693 ambi=2 { CA:46.886 } ::sumAvg: 3.635 atom: 996 118G-HA2 A 3.998 ambi=2 { CA:46.886 } atom: 1020 122A-H N 7.89 ambi=1 { N:120.452 } :: atom: 997 118G-HA3 A 3.693 ambi=2 { CA:46.886 } atom: 1020 122A-H N 7.89 ambi=1 { N:120.452 } ::sumAvg: 4.825 atom: 1008 120V-HB B 2.196 ambi=1 { CB:31.578 } atom: 1000 119A-H N 7.808 ambi=1 { N:123.654 } ::sumAvg: 4.825 atom: 1001 119A-HA A 4.25 ambi=1 { CA:54.237 } atom: 1007 120V-HA A 3.722 ambi=1 { CA:65.394 } ::sumAvg: 4.765 atom: 1007 120V-HA A 3.722 ambi=1 { CA:65.394 } atom: 1001 119A-HA A 4.25 ambi=1 { CA:54.237 } ::sumAvg: 4.765 atom: 1007 120V-HA A 3.722 ambi=1 { CA:65.394 } atom: 1002 119A-HB B 1.503 ambi=1 { CB:18.345 } ::sumAvg: 3.91 atom: 1008 120V-HB B 2.196 ambi=1 { CB:31.578 } atom: 1002 119A-HB B 1.503 ambi=1 { CB:18.345 } ::sumAvg: 4.775 atom: 1002 119A-HB B 1.503 ambi=1 { CB:18.345 } atom: 1009 120V-HG1 G1 1.07 ambi=2 { CG1:22.174 } :: atom: 1002 119A-HB B 1.503 ambi=1 { CB:18.345 } atom: 1010 120V-HG2 G2 0.963 ambi=2 { CG2:22.042 } ::sumAvg: 3.4 atom: 1009 120V-HG1 G1 1.07 ambi=2 { CG1:22.174 } atom: 1002 119A-HB B 1.503 ambi=1 { CB:18.345 } :: atom: 1010 120V-HG2 G2 0.963 ambi=2 { CG2:22.042 } atom: 1002 119A-HB B 1.503 ambi=1 { CB:18.345 } ::sumAvg: 3.4 atom: 1007 120V-HA A 3.722 ambi=1 { CA:65.394 } atom: 1016 121I-HA A 4.2 ambi=1 { CA:63.578 } ::sumAvg: 4.725 atom: 1016 121I-HA A 4.2 ambi=1 { CA:63.578 } atom: 1007 120V-HA A 3.722 ambi=1 { CA:65.394 } ::sumAvg: 4.725 atom: 1007 120V-HA A 3.722 ambi=1 { CA:65.394 } atom: 1020 122A-H N 7.89 ambi=1 { N:120.452 } ::sumAvg: 4.16 atom: 1007 120V-HA A 3.722 ambi=1 { CA:65.394 } atom: 1022 122A-HB B 1.515 ambi=1 { CB:18.345 } ::sumAvg: 4.58 atom: 1007 120V-HA A 3.722 ambi=1 { CA:65.394 } atom: 1030 123R-QG G 1.696 ambi=2 { CG:27.321 } ::sumAvg: 4.895 atom: 1030 123R-QG G 1.696 ambi=2 { CG:27.321 } atom: 1007 120V-HA A 3.722 ambi=1 { CA:65.394 } ::sumAvg: 4.895 atom: 1007 120V-HA A 3.722 ambi=1 { CA:65.394 } atom: 1033 123R-QD D 3.207 ambi=2 { CD:43.1 } ::sumAvg: 4.245 atom: 1033 123R-QD D 3.207 ambi=2 { CD:43.1 } atom: 1007 120V-HA A 3.722 ambi=1 { CA:65.394 } ::sumAvg: 4.245 atom: 1016 121I-HA A 4.2 ambi=1 { CA:63.578 } atom: 1008 120V-HB B 2.196 ambi=1 { CB:31.578 } ::sumAvg: 4.415 atom: 1008 120V-HB B 2.196 ambi=1 { CB:31.578 } atom: 1020 122A-H N 7.89 ambi=1 { N:120.452 } ::sumAvg: 4.955 atom: 1009 120V-HG1 G1 1.07 ambi=2 { CG1:22.174 } atom: 1016 121I-HA A 4.2 ambi=1 { CA:63.578 } :: atom: 1010 120V-HG2 G2 0.963 ambi=2 { CG2:22.042 } atom: 1016 121I-HA A 4.2 ambi=1 { CA:63.578 } ::sumAvg: 3.23 atom: 1016 121I-HA A 4.2 ambi=1 { CA:63.578 } atom: 1009 120V-HG1 G1 1.07 ambi=2 { CG1:22.174 } :: atom: 1016 121I-HA A 4.2 ambi=1 { CA:63.578 } atom: 1010 120V-HG2 G2 0.963 ambi=2 { CG2:22.042 } ::sumAvg: 3.23 atom: 1009 120V-HG1 G1 1.07 ambi=2 { CG1:22.174 } atom: 1017 121I-HB B 1.8 ambi=1 { CB:37.402 } :: atom: 1010 120V-HG2 G2 0.963 ambi=2 { CG2:22.042 } atom: 1017 121I-HB B 1.8 ambi=1 { CB:37.402 } ::sumAvg: 4.665 atom: 1017 121I-HB B 1.8 ambi=1 { CB:37.402 } atom: 1009 120V-HG1 G1 1.07 ambi=2 { CG1:22.174 } :: atom: 1017 121I-HB B 1.8 ambi=1 { CB:37.402 } atom: 1010 120V-HG2 G2 0.963 ambi=2 { CG2:22.042 } ::sumAvg: 4.665 atom: 1009 120V-HG1 G1 1.07 ambi=2 { CG1:22.174 } atom: 1029 123R-QB B 1.953 ambi=2 { CB:30.21 } :: atom: 1010 120V-HG2 G2 0.963 ambi=2 { CG2:22.042 } atom: 1029 123R-QB B 1.953 ambi=2 { CB:30.21 } ::sumAvg: 3.945 atom: 1029 123R-QB B 1.953 ambi=2 { CB:30.21 } atom: 1009 120V-HG1 G1 1.07 ambi=2 { CG1:22.174 } :: atom: 1029 123R-QB B 1.953 ambi=2 { CB:30.21 } atom: 1010 120V-HG2 G2 0.963 ambi=2 { CG2:22.042 } ::sumAvg: 3.945 atom: 1009 120V-HG1 G1 1.07 ambi=2 { CG1:22.174 } atom: 1033 123R-QD D 3.207 ambi=2 { CD:43.1 } :: atom: 1010 120V-HG2 G2 0.963 ambi=2 { CG2:22.042 } atom: 1033 123R-QD D 3.207 ambi=2 { CD:43.1 } ::sumAvg: 4.6 atom: 1033 123R-QD D 3.207 ambi=2 { CD:43.1 } atom: 1009 120V-HG1 G1 1.07 ambi=2 { CG1:22.174 } :: atom: 1033 123R-QD D 3.207 ambi=2 { CD:43.1 } atom: 1010 120V-HG2 G2 0.963 ambi=2 { CG2:22.042 } ::sumAvg: 4.6 atom: 1016 121I-HA A 4.2 ambi=1 { CA:63.578 } atom: 1022 122A-HB B 1.515 ambi=1 { CB:18.345 } ::sumAvg: 4.965 atom: 1016 121I-HA A 4.2 ambi=1 { CA:63.578 } atom: 1026 123R-H N 7.66 ambi=1 { N:115.622 } ::sumAvg: 4.145 atom: 1016 121I-HA A 4.2 ambi=1 { CA:63.578 } atom: 1029 123R-QB B 1.953 ambi=2 { CB:30.21 } ::sumAvg: 4.73 atom: 1029 123R-QB B 1.953 ambi=2 { CB:30.21 } atom: 1016 121I-HA A 4.2 ambi=1 { CA:63.578 } ::sumAvg: 4.73 atom: 1027 123R-HA A 4.265 ambi=1 { CA:57.417 } atom: 1022 122A-HB B 1.515 ambi=1 { CB:18.345 } ::sumAvg: 3.92 atom: 1022 122A-HB B 1.515 ambi=1 { CB:18.345 } atom: 1029 123R-QB B 1.953 ambi=2 { CB:30.21 } ::sumAvg: 3.91 atom: 1029 123R-QB B 1.953 ambi=2 { CB:30.21 } atom: 1022 122A-HB B 1.515 ambi=1 { CB:18.345 } ::sumAvg: 3.91 atom: 1039 134R-HA A 4.27 ambi=1 { CA:57.524 } atom: 1050 136D-H N 8.399 ambi=1 { N:119.422 } ::sumAvg: 3.99 atom: 1039 134R-HA A 4.27 ambi=1 { CA:57.524 } atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } ::sumAvg: 4.98 atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } atom: 1039 134R-HA A 4.27 ambi=1 { CA:57.524 } ::sumAvg: 4.98 atom: 1039 134R-HA A 4.27 ambi=1 { CA:57.524 } atom: 1057 137L-H N 9.158 ambi=1 { N:123.358 } ::sumAvg: 4.06 atom: 1059 137L-HB2 B 2.116 ambi=2 { CB:40.832 } atom: 1039 134R-HA A 4.27 ambi=1 { CA:57.524 } :: atom: 1060 137L-HB3 B 1.58 ambi=2 { CB:40.832 } atom: 1039 134R-HA A 4.27 ambi=1 { CA:57.524 } ::sumAvg: 4.2 atom: 1039 134R-HA A 4.27 ambi=1 { CA:57.524 } atom: 1070 138M-H N 8.814 ambi=1 { N:118.998 } ::sumAvg: 4.695 atom: 1044 135D-HA A 4.023 ambi=1 { CA:59.772 } atom: 1041 134R-QB B 1.785 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.455 atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } atom: 1041 134R-QB B 1.785 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.785 atom: 1074 138M-HG2 G 2.411 ambi=2 { CG:31.167 } atom: 1041 134R-QB B 1.785 ambi=2 {attached_atom is not_assigned} :: atom: 1075 138M-HG3 G 2.385 ambi=2 { CG:31.167 } atom: 1041 134R-QB B 1.785 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.885 atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } atom: 1043 135D-H N 7.812 ambi=1 { N:119.323 } ::sumAvg: 4.635 atom: 1044 135D-HA A 4.023 ambi=1 { CA:59.772 } atom: 1057 137L-H N 9.158 ambi=1 { N:123.358 } ::sumAvg: 4.19 atom: 1044 135D-HA A 4.023 ambi=1 { CA:59.772 } atom: 1070 138M-H N 8.814 ambi=1 { N:118.998 } ::sumAvg: 3.74 atom: 1044 135D-HA A 4.023 ambi=1 { CA:59.772 } atom: 1073 138M-QB B 2.1735 ambi=2 { CB:30.972 } ::sumAvg: 3.07 atom: 1073 138M-QB B 2.1735 ambi=2 { CB:30.972 } atom: 1044 135D-HA A 4.023 ambi=1 { CA:59.772 } ::sumAvg: 3.07 atom: 1044 135D-HA A 4.023 ambi=1 { CA:59.772 } atom: 1074 138M-HG2 G 2.411 ambi=2 { CG:31.167 } :: atom: 1044 135D-HA A 4.023 ambi=1 { CA:59.772 } atom: 1075 138M-HG3 G 2.385 ambi=2 { CG:31.167 } ::sumAvg: 4.115 atom: 1074 138M-HG2 G 2.411 ambi=2 { CG:31.167 } atom: 1044 135D-HA A 4.023 ambi=1 { CA:59.772 } :: atom: 1075 138M-HG3 G 2.385 ambi=2 { CG:31.167 } atom: 1044 135D-HA A 4.023 ambi=1 { CA:59.772 } ::sumAvg: 4.115 atom: 1044 135D-HA A 4.023 ambi=1 { CA:59.772 } atom: 1076 138M-HE E 2.17 ambi=1 { CE:16.659 } ::sumAvg: 4.23 atom: 1076 138M-HE E 2.17 ambi=1 { CE:16.659 } atom: 1044 135D-HA A 4.023 ambi=1 { CA:59.772 } ::sumAvg: 4.23 atom: 1044 135D-HA A 4.023 ambi=1 { CA:59.772 } atom: 1082 139R-H N 8.277 ambi=1 { N:122.51 } ::sumAvg: 4.89 atom: 1045 135D-HB2 B 2.045 ambi=2 { CB:42.302 } atom: 1051 136D-HA A 4.422 ambi=1 { CA:57.351 } :: atom: 1046 135D-HB3 B 2.034 ambi=2 { CB:42.302 } atom: 1051 136D-HA A 4.422 ambi=1 { CA:57.351 } ::sumAvg: 4.21 atom: 1051 136D-HA A 4.422 ambi=1 { CA:57.351 } atom: 1045 135D-HB2 B 2.045 ambi=2 { CB:42.302 } :: atom: 1051 136D-HA A 4.422 ambi=1 { CA:57.351 } atom: 1046 135D-HB3 B 2.034 ambi=2 { CB:42.302 } ::sumAvg: 4.21 atom: 1045 135D-HB2 B 2.045 ambi=2 { CB:42.302 } atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } :: atom: 1046 135D-HB3 B 2.034 ambi=2 { CB:42.302 } atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } ::sumAvg: 4.605 atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } atom: 1045 135D-HB2 B 2.045 ambi=2 { CB:42.302 } :: atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } atom: 1046 135D-HB3 B 2.034 ambi=2 { CB:42.302 } ::sumAvg: 4.605 atom: 1045 135D-HB2 B 2.045 ambi=2 { CB:42.302 } atom: 1057 137L-H N 9.158 ambi=1 { N:123.358 } :: atom: 1046 135D-HB3 B 2.034 ambi=2 { CB:42.302 } atom: 1057 137L-H N 9.158 ambi=1 { N:123.358 } ::sumAvg: 4.86 atom: 1059 137L-HB2 B 2.116 ambi=2 { CB:40.832 } atom: 1050 136D-H N 8.399 ambi=1 { N:119.422 } :: atom: 1060 137L-HB3 B 1.58 ambi=2 { CB:40.832 } atom: 1050 136D-H N 8.399 ambi=1 { N:119.422 } ::sumAvg: 4.51 atom: 1073 138M-QB B 2.1735 ambi=2 { CB:30.972 } atom: 1050 136D-H N 8.399 ambi=1 { N:119.422 } ::sumAvg: 4.89 atom: 1051 136D-HA A 4.422 ambi=1 { CA:57.351 } atom: 1070 138M-H N 8.814 ambi=1 { N:118.998 } ::sumAvg: 4.05 atom: 1051 136D-HA A 4.422 ambi=1 { CA:57.351 } atom: 1073 138M-QB B 2.1735 ambi=2 { CB:30.972 } ::sumAvg: 4.78 atom: 1073 138M-QB B 2.1735 ambi=2 { CB:30.972 } atom: 1051 136D-HA A 4.422 ambi=1 { CA:57.351 } ::sumAvg: 4.78 atom: 1051 136D-HA A 4.422 ambi=1 { CA:57.351 } atom: 1082 139R-H N 8.277 ambi=1 { N:122.51 } ::sumAvg: 3.39 atom: 1051 136D-HA A 4.422 ambi=1 { CA:57.351 } atom: 1084 139R-HB2 B 2.161 ambi=2 { CB:30 } :: atom: 1051 136D-HA A 4.422 ambi=1 { CA:57.351 } atom: 1085 139R-HB3 B 2.042 ambi=2 { CB:30 } ::sumAvg: 3.295 atom: 1051 136D-HA A 4.422 ambi=1 { CA:57.351 } atom: 1086 139R-QG G 1.684 ambi=2 { CG:27.602 } ::sumAvg: 4.175 atom: 1086 139R-QG G 1.684 ambi=2 { CG:27.602 } atom: 1051 136D-HA A 4.422 ambi=1 { CA:57.351 } ::sumAvg: 4.175 atom: 1051 136D-HA A 4.422 ambi=1 { CA:57.351 } atom: 1088 139R-QD D 3.255 ambi=2 { CD:43.348 } ::sumAvg: 4.075 atom: 1088 139R-QD D 3.255 ambi=2 { CD:43.348 } atom: 1051 136D-HA A 4.422 ambi=1 { CA:57.351 } ::sumAvg: 4.075 atom: 1051 136D-HA A 4.422 ambi=1 { CA:57.351 } atom: 1095 140F-H N 8.114 ambi=1 { N:120.507 } ::sumAvg: 4.87 atom: 1058 137L-HA A 4.44 ambi=1 { CA:58.129 } atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } ::sumAvg: 3.865 atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } atom: 1059 137L-HB2 B 2.116 ambi=2 { CB:40.832 } :: atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } atom: 1060 137L-HB3 B 1.58 ambi=2 { CB:40.832 } ::sumAvg: 4.305 atom: 1059 137L-HB2 B 2.116 ambi=2 { CB:40.832 } atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } :: atom: 1060 137L-HB3 B 1.58 ambi=2 { CB:40.832 } atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } ::sumAvg: 4.305 atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } atom: 1061 137L-HG G 1.546 ambi=1 { CG:26.77 } ::sumAvg: 4.57 atom: 1061 137L-HG G 1.546 ambi=1 { CG:26.77 } atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } ::sumAvg: 4.57 atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } atom: 1062 137L-HD1 D1 0.984 ambi=2 { CD1:21.443 } :: atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } atom: 1063 137L-HD2 D2 0.876 ambi=2 { CD2:25.29 } ::sumAvg: 3.82 atom: 1062 137L-HD1 D1 0.984 ambi=2 { CD1:21.443 } atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } :: atom: 1063 137L-HD2 D2 0.876 ambi=2 { CD2:25.29 } atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } ::sumAvg: 3.82 atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } atom: 1070 138M-H N 8.814 ambi=1 { N:118.998 } ::sumAvg: 4.705 atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } atom: 1082 139R-H N 8.277 ambi=1 { N:122.51 } ::sumAvg: 4.77 atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } atom: 1084 139R-HB2 B 2.161 ambi=2 { CB:30 } :: atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } atom: 1085 139R-HB3 B 2.042 ambi=2 { CB:30 } ::sumAvg: 4.63 atom: 1084 139R-HB2 B 2.161 ambi=2 { CB:30 } atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } :: atom: 1085 139R-HB3 B 2.042 ambi=2 { CB:30 } atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } ::sumAvg: 4.63 atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } ::sumAvg: 4.76 atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } atom: 1053 136D-QB B 2.7605 ambi=2 { CB:39.448 } ::sumAvg: 4.76 atom: 1073 138M-QB B 2.1735 ambi=2 { CB:30.972 } atom: 1057 137L-H N 9.158 ambi=1 { N:123.358 } ::sumAvg: 4.435 atom: 1058 137L-HA A 4.44 ambi=1 { CA:58.129 } atom: 1082 139R-H N 8.277 ambi=1 { N:122.51 } ::sumAvg: 4.09 atom: 1058 137L-HA A 4.44 ambi=1 { CA:58.129 } atom: 1095 140F-H N 8.114 ambi=1 { N:120.507 } ::sumAvg: 3.405 atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } atom: 1058 137L-HA A 4.44 ambi=1 { CA:58.129 } :: atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } atom: 1058 137L-HA A 4.44 ambi=1 { CA:58.129 } ::sumAvg: 3.065 atom: 1058 137L-HA A 4.44 ambi=1 { CA:58.129 } atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } ::sumAvg: 3.31 atom: 1058 137L-HA A 4.44 ambi=1 { CA:58.129 } atom: 1101 140F-QE E 7.374 ambi=3 { CE1:130.48 } ::sumAvg: 4.67 atom: 1101 140F-QE E 7.374 ambi=3 { CE1:130.48 } atom: 1058 137L-HA A 4.44 ambi=1 { CA:58.129 } ::sumAvg: 4.67 atom: 1058 137L-HA A 4.44 ambi=1 { CA:58.129 } atom: 1110 141K-H N 8.528 ambi=1 { N:119.546 } ::sumAvg: 4.59 atom: 1059 137L-HB2 B 2.116 ambi=2 { CB:40.832 } atom: 1071 138M-HA A 4.516 ambi=1 { CA:57.61 } :: atom: 1060 137L-HB3 B 1.58 ambi=2 { CB:40.832 } atom: 1071 138M-HA A 4.516 ambi=1 { CA:57.61 } ::sumAvg: 4.32 atom: 1071 138M-HA A 4.516 ambi=1 { CA:57.61 } atom: 1059 137L-HB2 B 2.116 ambi=2 { CB:40.832 } :: atom: 1071 138M-HA A 4.516 ambi=1 { CA:57.61 } atom: 1060 137L-HB3 B 1.58 ambi=2 { CB:40.832 } ::sumAvg: 4.32 atom: 1060 137L-HB3 B 1.58 ambi=2 { CB:40.832 } atom: 1073 138M-QB B 2.1735 ambi=2 { CB:30.972 } ::sumAvg: 4.685 atom: 1073 138M-QB B 2.1735 ambi=2 { CB:30.972 } atom: 1060 137L-HB3 B 1.58 ambi=2 { CB:40.832 } ::sumAvg: 4.685 atom: 1059 137L-HB2 B 2.116 ambi=2 { CB:40.832 } atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } :: atom: 1059 137L-HB2 B 2.116 ambi=2 { CB:40.832 } atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } :: atom: 1060 137L-HB3 B 1.58 ambi=2 { CB:40.832 } atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } :: atom: 1060 137L-HB3 B 1.58 ambi=2 { CB:40.832 } atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } ::sumAvg: 4.84 atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } atom: 1059 137L-HB2 B 2.116 ambi=2 { CB:40.832 } :: atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } atom: 1059 137L-HB2 B 2.116 ambi=2 { CB:40.832 } :: atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } atom: 1060 137L-HB3 B 1.58 ambi=2 { CB:40.832 } :: atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } atom: 1060 137L-HB3 B 1.58 ambi=2 { CB:40.832 } ::sumAvg: 4.84 atom: 1059 137L-HB2 B 2.116 ambi=2 { CB:40.832 } atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } :: atom: 1060 137L-HB3 B 1.58 ambi=2 { CB:40.832 } atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } ::sumAvg: 4.515 atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } atom: 1059 137L-HB2 B 2.116 ambi=2 { CB:40.832 } :: atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } atom: 1060 137L-HB3 B 1.58 ambi=2 { CB:40.832 } ::sumAvg: 4.515 atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } atom: 1061 137L-HG G 1.546 ambi=1 { CG:26.77 } ::sumAvg: 4.54 atom: 1062 137L-HD1 D1 0.984 ambi=2 { CD1:21.443 } atom: 1095 140F-H N 8.114 ambi=1 { N:120.507 } :: atom: 1063 137L-HD2 D2 0.876 ambi=2 { CD2:25.29 } atom: 1095 140F-H N 8.114 ambi=1 { N:120.507 } ::sumAvg: 4.54 atom: 1062 137L-HD1 D1 0.984 ambi=2 { CD1:21.443 } atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } :: atom: 1062 137L-HD1 D1 0.984 ambi=2 { CD1:21.443 } atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } :: atom: 1063 137L-HD2 D2 0.876 ambi=2 { CD2:25.29 } atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } :: atom: 1063 137L-HD2 D2 0.876 ambi=2 { CD2:25.29 } atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } ::sumAvg: 3.455 atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } atom: 1062 137L-HD1 D1 0.984 ambi=2 { CD1:21.443 } :: atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } atom: 1062 137L-HD1 D1 0.984 ambi=2 { CD1:21.443 } :: atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } atom: 1063 137L-HD2 D2 0.876 ambi=2 { CD2:25.29 } :: atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } atom: 1063 137L-HD2 D2 0.876 ambi=2 { CD2:25.29 } ::sumAvg: 3.455 atom: 1062 137L-HD1 D1 0.984 ambi=2 { CD1:21.443 } atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } :: atom: 1063 137L-HD2 D2 0.876 ambi=2 { CD2:25.29 } atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } ::sumAvg: 3.63 atom: 1062 137L-HD1 D1 0.984 ambi=2 { CD1:21.443 } atom: 1101 140F-QE E 7.374 ambi=3 { CE1:130.48 } :: atom: 1063 137L-HD2 D2 0.876 ambi=2 { CD2:25.29 } atom: 1101 140F-QE E 7.374 ambi=3 { CE1:130.48 } ::sumAvg: 4.495 atom: 1084 139R-HB2 B 2.161 ambi=2 { CB:30 } atom: 1070 138M-H N 8.814 ambi=1 { N:118.998 } :: atom: 1085 139R-HB3 B 2.042 ambi=2 { CB:30 } atom: 1070 138M-H N 8.814 ambi=1 { N:118.998 } ::sumAvg: 4.705 atom: 1071 138M-HA A 4.516 ambi=1 { CA:57.61 } atom: 1095 140F-H N 8.114 ambi=1 { N:120.507 } ::sumAvg: 4.18 atom: 1071 138M-HA A 4.516 ambi=1 { CA:57.61 } atom: 1110 141K-H N 8.528 ambi=1 { N:119.546 } ::sumAvg: 3.43 atom: 1071 138M-HA A 4.516 ambi=1 { CA:57.61 } atom: 1112 141K-HB2 B 2.277 ambi=2 { CB:33.048 } :: atom: 1071 138M-HA A 4.516 ambi=1 { CA:57.61 } atom: 1113 141K-HB3 B 1.712 ambi=2 { CB:33.048 } ::sumAvg: 3 atom: 1071 138M-HA A 4.516 ambi=1 { CA:57.61 } atom: 1114 141K-HG2 G 1.435 ambi=2 { CG:24.894 } :: atom: 1071 138M-HA A 4.516 ambi=1 { CA:57.61 } atom: 1115 141K-HG3 G 1.182 ambi=2 { CG:24.894 } ::sumAvg: 4.37 atom: 1114 141K-HG2 G 1.435 ambi=2 { CG:24.894 } atom: 1071 138M-HA A 4.516 ambi=1 { CA:57.61 } :: atom: 1115 141K-HG3 G 1.182 ambi=2 { CG:24.894 } atom: 1071 138M-HA A 4.516 ambi=1 { CA:57.61 } ::sumAvg: 4.37 atom: 1071 138M-HA A 4.516 ambi=1 { CA:57.61 } atom: 1116 141K-HD2 D 1.827 ambi=2 { CD:28.78 } :: atom: 1071 138M-HA A 4.516 ambi=1 { CA:57.61 } atom: 1117 141K-HD3 D 1.78 ambi=2 { CD:28.78 } ::sumAvg: 3.78 atom: 1116 141K-HD2 D 1.827 ambi=2 { CD:28.78 } atom: 1071 138M-HA A 4.516 ambi=1 { CA:57.61 } :: atom: 1117 141K-HD3 D 1.78 ambi=2 { CD:28.78 } atom: 1071 138M-HA A 4.516 ambi=1 { CA:57.61 } ::sumAvg: 3.78 atom: 1071 138M-HA A 4.516 ambi=1 { CA:57.61 } atom: 1119 141K-QE E 3.0795 ambi=2 { CE:41.78 } ::sumAvg: 4.68 atom: 1119 141K-QE E 3.0795 ambi=2 { CE:41.78 } atom: 1071 138M-HA A 4.516 ambi=1 { CA:57.61 } ::sumAvg: 4.68 atom: 1071 138M-HA A 4.516 ambi=1 { CA:57.61 } atom: 1126 142R-H N 8.079 ambi=1 { N:117.223 } ::sumAvg: 4.58 atom: 1073 138M-QB B 2.1735 ambi=2 { CB:30.972 } atom: 1083 139R-HA A 4.121 ambi=1 { CA:59.533 } ::sumAvg: 4.055 atom: 1073 138M-QB B 2.1735 ambi=2 { CB:30.972 } atom: 1086 139R-QG G 1.684 ambi=2 { CG:27.602 } ::sumAvg: 4.625 atom: 1073 138M-QB B 2.1735 ambi=2 { CB:30.972 } atom: 1095 140F-H N 8.114 ambi=1 { N:120.507 } ::sumAvg: 4.58 atom: 1073 138M-QB B 2.1735 ambi=2 { CB:30.972 } atom: 1110 141K-H N 8.528 ambi=1 { N:119.546 } ::sumAvg: 4.925 atom: 1073 138M-QB B 2.1735 ambi=2 { CB:30.972 } atom: 1113 141K-HB3 B 1.712 ambi=2 { CB:33.048 } ::sumAvg: 4.62 atom: 1113 141K-HB3 B 1.712 ambi=2 { CB:33.048 } atom: 1073 138M-QB B 2.1735 ambi=2 { CB:30.972 } ::sumAvg: 4.62 atom: 1073 138M-QB B 2.1735 ambi=2 { CB:30.972 } atom: 1133 142R-QD D 3.254 ambi=2 { CD:43.317 } ::sumAvg: 4.74 atom: 1076 138M-HE E 2.17 ambi=1 { CE:16.659 } atom: 1082 139R-H N 8.277 ambi=1 { N:122.51 } ::sumAvg: 4.62 atom: 1076 138M-HE E 2.17 ambi=1 { CE:16.659 } atom: 1113 141K-HB3 B 1.712 ambi=2 { CB:33.048 } ::sumAvg: 4.785 atom: 1113 141K-HB3 B 1.712 ambi=2 { CB:33.048 } atom: 1076 138M-HE E 2.17 ambi=1 { CE:16.659 } ::sumAvg: 4.785 atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } atom: 1082 139R-H N 8.277 ambi=1 { N:122.51 } :: atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } atom: 1082 139R-H N 8.277 ambi=1 { N:122.51 } ::sumAvg: 4.645 atom: 1083 139R-HA A 4.121 ambi=1 { CA:59.533 } atom: 1096 140F-HA A 4.663 ambi=1 { CA:59.859 } ::sumAvg: 4.745 atom: 1096 140F-HA A 4.663 ambi=1 { CA:59.859 } atom: 1083 139R-HA A 4.121 ambi=1 { CA:59.533 } ::sumAvg: 4.745 atom: 1083 139R-HA A 4.121 ambi=1 { CA:59.533 } atom: 1143 143E-HG2 G 2.618 ambi=2 { CG:35.105 } :: atom: 1083 139R-HA A 4.121 ambi=1 { CA:59.533 } atom: 1144 143E-HG3 G 2.369 ambi=2 { CG:35.105 } ::sumAvg: 4.08 atom: 1143 143E-HG2 G 2.618 ambi=2 { CG:35.105 } atom: 1083 139R-HA A 4.121 ambi=1 { CA:59.533 } :: atom: 1144 143E-HG3 G 2.369 ambi=2 { CG:35.105 } atom: 1083 139R-HA A 4.121 ambi=1 { CA:59.533 } ::sumAvg: 4.08 atom: 1084 139R-HB2 B 2.161 ambi=2 { CB:30 } atom: 1096 140F-HA A 4.663 ambi=1 { CA:59.859 } :: atom: 1085 139R-HB3 B 2.042 ambi=2 { CB:30 } atom: 1096 140F-HA A 4.663 ambi=1 { CA:59.859 } ::sumAvg: 4.56 atom: 1084 139R-HB2 B 2.161 ambi=2 { CB:30 } atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } :: atom: 1085 139R-HB3 B 2.042 ambi=2 { CB:30 } atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } ::sumAvg: 4.72 atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } atom: 1084 139R-HB2 B 2.161 ambi=2 { CB:30 } :: atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } atom: 1085 139R-HB3 B 2.042 ambi=2 { CB:30 } ::sumAvg: 4.72 atom: 1084 139R-HB2 B 2.161 ambi=2 { CB:30 } atom: 1143 143E-HG2 G 2.618 ambi=2 { CG:35.105 } :: atom: 1085 139R-HB3 B 2.042 ambi=2 { CB:30 } atom: 1143 143E-HG2 G 2.618 ambi=2 { CG:35.105 } ::sumAvg: 4.68 atom: 1086 139R-QG G 1.684 ambi=2 { CG:27.602 } atom: 1096 140F-HA A 4.663 ambi=1 { CA:59.859 } ::sumAvg: 4.605 atom: 1096 140F-HA A 4.663 ambi=1 { CA:59.859 } atom: 1086 139R-QG G 1.684 ambi=2 { CG:27.602 } ::sumAvg: 4.605 atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } atom: 1086 139R-QG G 1.684 ambi=2 { CG:27.602 } ::sumAvg: 4.82 atom: 1086 139R-QG G 1.684 ambi=2 { CG:27.602 } atom: 1143 143E-HG2 G 2.618 ambi=2 { CG:35.105 } :: atom: 1086 139R-QG G 1.684 ambi=2 { CG:27.602 } atom: 1144 143E-HG3 G 2.369 ambi=2 { CG:35.105 } ::sumAvg: 4.125 atom: 1088 139R-QD D 3.255 ambi=2 { CD:43.348 } atom: 1143 143E-HG2 G 2.618 ambi=2 { CG:35.105 } :: atom: 1088 139R-QD D 3.255 ambi=2 { CD:43.348 } atom: 1144 143E-HG3 G 2.369 ambi=2 { CG:35.105 } ::sumAvg: 4.76 atom: 1143 143E-HG2 G 2.618 ambi=2 { CG:35.105 } atom: 1088 139R-QD D 3.255 ambi=2 { CD:43.348 } :: atom: 1144 143E-HG3 G 2.369 ambi=2 { CG:35.105 } atom: 1088 139R-QD D 3.255 ambi=2 { CD:43.348 } ::sumAvg: 4.76 atom: 1111 141K-HA A 3.526 ambi=1 { CA:60 } atom: 1096 140F-HA A 4.663 ambi=1 { CA:59.859 } ::sumAvg: 4.835 atom: 1096 140F-HA A 4.663 ambi=1 { CA:59.859 } atom: 1143 143E-HG2 G 2.618 ambi=2 { CG:35.105 } :: atom: 1096 140F-HA A 4.663 ambi=1 { CA:59.859 } atom: 1144 143E-HG3 G 2.369 ambi=2 { CG:35.105 } ::sumAvg: 3.79 atom: 1096 140F-HA A 4.663 ambi=1 { CA:59.859 } atom: 1149 144Q-H N 8.226 ambi=1 { N:116.169 } ::sumAvg: 4.115 atom: 1096 140F-HA A 4.663 ambi=1 { CA:59.859 } atom: 1154 144Q-QG G 1.95 ambi=2 { CG:34.558 } ::sumAvg: 4.815 atom: 1154 144Q-QG G 1.95 ambi=2 { CG:34.558 } atom: 1096 140F-HA A 4.663 ambi=1 { CA:59.859 } ::sumAvg: 4.815 atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } atom: 1112 141K-HB2 B 2.277 ambi=2 { CB:33.048 } :: atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } atom: 1113 141K-HB3 B 1.712 ambi=2 { CB:33.048 } :: atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } atom: 1112 141K-HB2 B 2.277 ambi=2 { CB:33.048 } :: atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } atom: 1113 141K-HB3 B 1.712 ambi=2 { CB:33.048 } ::sumAvg: 4.485 atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } atom: 1141 143E-HB2 B 2.266 ambi=2 { CB:28.661 } :: atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } atom: 1142 143E-HB3 B 2.09 ambi=2 { CB:28.661 } :: atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } atom: 1141 143E-HB2 B 2.266 ambi=2 { CB:28.661 } :: atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } atom: 1142 143E-HB3 B 2.09 ambi=2 { CB:28.661 } ::sumAvg: 4.96 atom: 1141 143E-HB2 B 2.266 ambi=2 { CB:28.661 } atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } :: atom: 1142 143E-HB3 B 2.09 ambi=2 { CB:28.661 } atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } :: atom: 1141 143E-HB2 B 2.266 ambi=2 { CB:28.661 } atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } :: atom: 1142 143E-HB3 B 2.09 ambi=2 { CB:28.661 } atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } ::sumAvg: 4.96 atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } atom: 1154 144Q-QG G 1.95 ambi=2 { CG:34.558 } :: atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } atom: 1154 144Q-QG G 1.95 ambi=2 { CG:34.558 } ::sumAvg: 4.435 atom: 1154 144Q-QG G 1.95 ambi=2 { CG:34.558 } atom: 1097 140F-HB2 B 3.538 ambi=2 { CB:38.843 } :: atom: 1154 144Q-QG G 1.95 ambi=2 { CG:34.558 } atom: 1098 140F-HB3 B 3.503 ambi=2 { CB:38.843 } ::sumAvg: 4.435 atom: 1111 141K-HA A 3.526 ambi=1 { CA:60 } atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } ::sumAvg: 4.535 atom: 1112 141K-HB2 B 2.277 ambi=2 { CB:33.048 } atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } :: atom: 1113 141K-HB3 B 1.712 ambi=2 { CB:33.048 } atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } ::sumAvg: 4.995 atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } atom: 1141 143E-HB2 B 2.266 ambi=2 { CB:28.661 } :: atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } atom: 1142 143E-HB3 B 2.09 ambi=2 { CB:28.661 } ::sumAvg: 3.705 atom: 1141 143E-HB2 B 2.266 ambi=2 { CB:28.661 } atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } :: atom: 1142 143E-HB3 B 2.09 ambi=2 { CB:28.661 } atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } ::sumAvg: 3.705 atom: 1154 144Q-QG G 1.95 ambi=2 { CG:34.558 } atom: 1099 140F-QD D 7.497 ambi=3 { CD1:132.911 } ::sumAvg: 4.645 atom: 1111 141K-HA A 3.526 ambi=1 { CA:60 } atom: 1127 142R-HA A 4.122 ambi=1 { CA:59.261 } ::sumAvg: 4.755 atom: 1127 142R-HA A 4.122 ambi=1 { CA:59.261 } atom: 1111 141K-HA A 3.526 ambi=1 { CA:60 } ::sumAvg: 4.755 atom: 1111 141K-HA A 3.526 ambi=1 { CA:60 } atom: 1149 144Q-H N 8.226 ambi=1 { N:116.169 } ::sumAvg: 4.015 atom: 1111 141K-HA A 3.526 ambi=1 { CA:60 } atom: 1154 144Q-QG G 1.95 ambi=2 { CG:34.558 } ::sumAvg: 3.72 atom: 1154 144Q-QG G 1.95 ambi=2 { CG:34.558 } atom: 1111 141K-HA A 3.526 ambi=1 { CA:60 } ::sumAvg: 3.72 atom: 1111 141K-HA A 3.526 ambi=1 { CA:60 } atom: 1162 145E-H N 8.209 ambi=1 { N:116.426 } ::sumAvg: 4.53 atom: 1111 141K-HA A 3.526 ambi=1 { CA:60 } atom: 1166 145E-HG2 G 2.689 ambi=2 { CG:37.935 } :: atom: 1111 141K-HA A 3.526 ambi=1 { CA:60 } atom: 1167 145E-HG3 G 2.139 ambi=2 { CG:37.935 } ::sumAvg: 4.98 atom: 1166 145E-HG2 G 2.689 ambi=2 { CG:37.935 } atom: 1111 141K-HA A 3.526 ambi=1 { CA:60 } :: atom: 1167 145E-HG3 G 2.139 ambi=2 { CG:37.935 } atom: 1111 141K-HA A 3.526 ambi=1 { CA:60 } ::sumAvg: 4.98 atom: 1130 142R-HG2 G 1.834 ambi=2 { CG:27.584 } atom: 1112 141K-HB2 B 2.277 ambi=2 { CB:33.048 } :: atom: 1131 142R-HG3 G 1.644 ambi=2 { CG:27.584 } atom: 1112 141K-HB2 B 2.277 ambi=2 { CB:33.048 } ::sumAvg: 4.9 atom: 1114 141K-HG2 G 1.435 ambi=2 { CG:24.894 } atom: 1127 142R-HA A 4.122 ambi=1 { CA:59.261 } :: atom: 1115 141K-HG3 G 1.182 ambi=2 { CG:24.894 } atom: 1127 142R-HA A 4.122 ambi=1 { CA:59.261 } ::sumAvg: 4.695 atom: 1127 142R-HA A 4.122 ambi=1 { CA:59.261 } atom: 1114 141K-HG2 G 1.435 ambi=2 { CG:24.894 } :: atom: 1127 142R-HA A 4.122 ambi=1 { CA:59.261 } atom: 1115 141K-HG3 G 1.182 ambi=2 { CG:24.894 } ::sumAvg: 4.695 atom: 1130 142R-HG2 G 1.834 ambi=2 { CG:27.584 } atom: 1115 141K-HG3 G 1.182 ambi=2 { CG:24.894 } :: atom: 1131 142R-HG3 G 1.644 ambi=2 { CG:27.584 } atom: 1115 141K-HG3 G 1.182 ambi=2 { CG:24.894 } ::sumAvg: 4.71 atom: 1141 143E-HB2 B 2.266 ambi=2 { CB:28.661 } atom: 1126 142R-H N 8.079 ambi=1 { N:117.223 } :: atom: 1142 143E-HB3 B 2.09 ambi=2 { CB:28.661 } atom: 1126 142R-H N 8.079 ambi=1 { N:117.223 } ::sumAvg: 4.63 atom: 1143 143E-HG2 G 2.618 ambi=2 { CG:35.105 } atom: 1126 142R-H N 8.079 ambi=1 { N:117.223 } :: atom: 1144 143E-HG3 G 2.369 ambi=2 { CG:35.105 } atom: 1126 142R-H N 8.079 ambi=1 { N:117.223 } ::sumAvg: 4.52 atom: 1127 142R-HA A 4.122 ambi=1 { CA:59.261 } atom: 1149 144Q-H N 8.226 ambi=1 { N:116.169 } ::sumAvg: 4.23 atom: 1127 142R-HA A 4.122 ambi=1 { CA:59.261 } atom: 1162 145E-H N 8.209 ambi=1 { N:116.426 } ::sumAvg: 3.65 atom: 1165 145E-QB B 2.044 ambi=2 { CB:29.156 } atom: 1127 142R-HA A 4.122 ambi=1 { CA:59.261 } ::sumAvg: 3.53 atom: 1166 145E-HG2 G 2.689 ambi=2 { CG:37.935 } atom: 1127 142R-HA A 4.122 ambi=1 { CA:59.261 } :: atom: 1167 145E-HG3 G 2.139 ambi=2 { CG:37.935 } atom: 1127 142R-HA A 4.122 ambi=1 { CA:59.261 } ::sumAvg: 4.05 atom: 1127 142R-HA A 4.122 ambi=1 { CA:59.261 } atom: 1172 146L-H N 7.869 ambi=1 { N:119.872 } ::sumAvg: 4.345 atom: 1127 142R-HA A 4.122 ambi=1 { CA:59.261 } atom: 1177 146L-QD D 0.878 ambi=2 { QCD:23.219 } ::sumAvg: 4.28 atom: 1177 146L-QD D 0.878 ambi=2 { QCD:23.219 } atom: 1127 142R-HA A 4.122 ambi=1 { CA:59.261 } ::sumAvg: 4.28 atom: 1128 142R-HB2 B 2.014 ambi=2 { CB:30.137 } atom: 1140 143E-HA A 3.937 ambi=1 { CA:59.257 } :: atom: 1129 142R-HB3 B 1.947 ambi=2 { CB:30.137 } atom: 1140 143E-HA A 3.937 ambi=1 { CA:59.257 } ::sumAvg: 4.335 atom: 1140 143E-HA A 3.937 ambi=1 { CA:59.257 } atom: 1128 142R-HB2 B 2.014 ambi=2 { CB:30.137 } :: atom: 1140 143E-HA A 3.937 ambi=1 { CA:59.257 } atom: 1129 142R-HB3 B 1.947 ambi=2 { CB:30.137 } ::sumAvg: 4.335 atom: 1128 142R-HB2 B 2.014 ambi=2 { CB:30.137 } atom: 1143 143E-HG2 G 2.618 ambi=2 { CG:35.105 } :: atom: 1129 142R-HB3 B 1.947 ambi=2 { CB:30.137 } atom: 1143 143E-HG2 G 2.618 ambi=2 { CG:35.105 } :: atom: 1129 142R-HB3 B 1.947 ambi=2 { CB:30.137 } atom: 1144 143E-HG3 G 2.369 ambi=2 { CG:35.105 } ::sumAvg: 3.65 atom: 1143 143E-HG2 G 2.618 ambi=2 { CG:35.105 } atom: 1128 142R-HB2 B 2.014 ambi=2 { CB:30.137 } :: atom: 1143 143E-HG2 G 2.618 ambi=2 { CG:35.105 } atom: 1129 142R-HB3 B 1.947 ambi=2 { CB:30.137 } :: atom: 1144 143E-HG3 G 2.369 ambi=2 { CG:35.105 } atom: 1129 142R-HB3 B 1.947 ambi=2 { CB:30.137 } ::sumAvg: 3.65 atom: 1128 142R-HB2 B 2.014 ambi=2 { CB:30.137 } atom: 1177 146L-QD D 0.878 ambi=2 { QCD:23.219 } :: atom: 1129 142R-HB3 B 1.947 ambi=2 { CB:30.137 } atom: 1177 146L-QD D 0.878 ambi=2 { QCD:23.219 } ::sumAvg: 4.08 atom: 1177 146L-QD D 0.878 ambi=2 { QCD:23.219 } atom: 1128 142R-HB2 B 2.014 ambi=2 { CB:30.137 } :: atom: 1177 146L-QD D 0.878 ambi=2 { QCD:23.219 } atom: 1129 142R-HB3 B 1.947 ambi=2 { CB:30.137 } ::sumAvg: 4.08 atom: 1130 142R-HG2 G 1.834 ambi=2 { CG:27.584 } atom: 1140 143E-HA A 3.937 ambi=1 { CA:59.257 } :: atom: 1131 142R-HG3 G 1.644 ambi=2 { CG:27.584 } atom: 1140 143E-HA A 3.937 ambi=1 { CA:59.257 } ::sumAvg: 4.925 atom: 1130 142R-HG2 G 1.834 ambi=2 { CG:27.584 } atom: 1143 143E-HG2 G 2.618 ambi=2 { CG:35.105 } :: atom: 1130 142R-HG2 G 1.834 ambi=2 { CG:27.584 } atom: 1144 143E-HG3 G 2.369 ambi=2 { CG:35.105 } :: atom: 1131 142R-HG3 G 1.644 ambi=2 { CG:27.584 } atom: 1143 143E-HG2 G 2.618 ambi=2 { CG:35.105 } :: atom: 1131 142R-HG3 G 1.644 ambi=2 { CG:27.584 } atom: 1144 143E-HG3 G 2.369 ambi=2 { CG:35.105 } ::sumAvg: 4.94 atom: 1130 142R-HG2 G 1.834 ambi=2 { CG:27.584 } atom: 1177 146L-QD D 0.878 ambi=2 { QCD:23.219 } :: atom: 1131 142R-HG3 G 1.644 ambi=2 { CG:27.584 } atom: 1177 146L-QD D 0.878 ambi=2 { QCD:23.219 } ::sumAvg: 4.31 atom: 1133 142R-QD D 3.254 ambi=2 { CD:43.317 } atom: 1143 143E-HG2 G 2.618 ambi=2 { CG:35.105 } :: atom: 1133 142R-QD D 3.254 ambi=2 { CD:43.317 } atom: 1144 143E-HG3 G 2.369 ambi=2 { CG:35.105 } ::sumAvg: 4.785 atom: 1143 143E-HG2 G 2.618 ambi=2 { CG:35.105 } atom: 1133 142R-QD D 3.254 ambi=2 { CD:43.317 } :: atom: 1144 143E-HG3 G 2.369 ambi=2 { CG:35.105 } atom: 1133 142R-QD D 3.254 ambi=2 { CD:43.317 } ::sumAvg: 4.785 atom: 1133 142R-QD D 3.254 ambi=2 { CD:43.317 } atom: 1177 146L-QD D 0.878 ambi=2 { QCD:23.219 } ::sumAvg: 4.36 atom: 1177 146L-QD D 0.878 ambi=2 { QCD:23.219 } atom: 1133 142R-QD D 3.254 ambi=2 { CD:43.317 } ::sumAvg: 4.36 atom: 1154 144Q-QG G 1.95 ambi=2 { CG:34.558 } atom: 1139 143E-H N 8.556 ambi=1 { N:117.594 } ::sumAvg: 4.87 atom: 1177 146L-QD D 0.878 ambi=2 { QCD:23.219 } atom: 1139 143E-H N 8.556 ambi=1 { N:117.594 } ::sumAvg: 4.61 atom: 1140 143E-HA A 3.937 ambi=1 { CA:59.257 } atom: 1176 146L-HG G 1.54 ambi=1 { CG:26.77 } ::sumAvg: 4.135 atom: 1141 143E-HB2 B 2.266 ambi=2 { CB:28.661 } atom: 1150 144Q-HA A 3.783 ambi=1 { CA:57.264 } :: atom: 1142 143E-HB3 B 2.09 ambi=2 { CB:28.661 } atom: 1150 144Q-HA A 3.783 ambi=1 { CA:57.264 } ::sumAvg: 4.305 atom: 1150 144Q-HA A 3.783 ambi=1 { CA:57.264 } atom: 1141 143E-HB2 B 2.266 ambi=2 { CB:28.661 } :: atom: 1150 144Q-HA A 3.783 ambi=1 { CA:57.264 } atom: 1142 143E-HB3 B 2.09 ambi=2 { CB:28.661 } ::sumAvg: 4.305 atom: 1141 143E-HB2 B 2.266 ambi=2 { CB:28.661 } atom: 1151 144Q-HB2 B 1.826 ambi=2 { CB:28.805 } :: atom: 1141 143E-HB2 B 2.266 ambi=2 { CB:28.661 } atom: 1152 144Q-HB3 B 1.699 ambi=2 { CB:28.805 } ::sumAvg: 4.84 atom: 1141 143E-HB2 B 2.266 ambi=2 { CB:28.661 } atom: 1174 146L-HB2 B 1.828 ambi=2 { CB:42.306 } :: atom: 1141 143E-HB2 B 2.266 ambi=2 { CB:28.661 } atom: 1175 146L-HB3 B 1.572 ambi=2 { CB:42.306 } :: atom: 1142 143E-HB3 B 2.09 ambi=2 { CB:28.661 } atom: 1175 146L-HB3 B 1.572 ambi=2 { CB:42.306 } ::sumAvg: 4.85 atom: 1174 146L-HB2 B 1.828 ambi=2 { CB:42.306 } atom: 1141 143E-HB2 B 2.266 ambi=2 { CB:28.661 } :: atom: 1175 146L-HB3 B 1.572 ambi=2 { CB:42.306 } atom: 1141 143E-HB2 B 2.266 ambi=2 { CB:28.661 } :: atom: 1175 146L-HB3 B 1.572 ambi=2 { CB:42.306 } atom: 1142 143E-HB3 B 2.09 ambi=2 { CB:28.661 } ::sumAvg: 4.85 atom: 1141 143E-HB2 B 2.266 ambi=2 { CB:28.661 } atom: 1177 146L-QD D 0.878 ambi=2 { QCD:23.219 } :: atom: 1142 143E-HB3 B 2.09 ambi=2 { CB:28.661 } atom: 1177 146L-QD D 0.878 ambi=2 { QCD:23.219 } ::sumAvg: 4.795 atom: 1177 146L-QD D 0.878 ambi=2 { QCD:23.219 } atom: 1143 143E-HG2 G 2.618 ambi=2 { CG:35.105 } :: atom: 1177 146L-QD D 0.878 ambi=2 { QCD:23.219 } atom: 1144 143E-HG3 G 2.369 ambi=2 { CG:35.105 } ::sumAvg: 4.16 atom: 1150 144Q-HA A 3.783 ambi=1 { CA:57.264 } atom: 1172 146L-H N 7.869 ambi=1 { N:119.872 } ::sumAvg: 4.175 atom: 1150 144Q-HA A 3.783 ambi=1 { CA:57.264 } atom: 1185 147G-H N 7.853 ambi=1 { N:107.656 } ::sumAvg: 4.225 atom: 1151 144Q-HB2 B 1.826 ambi=2 { CB:28.805 } atom: 1163 145E-HA A 4.056 ambi=1 { CA:58.216 } :: atom: 1152 144Q-HB3 B 1.699 ambi=2 { CB:28.805 } atom: 1163 145E-HA A 4.056 ambi=1 { CA:58.216 } ::sumAvg: 4.35 atom: 1163 145E-HA A 4.056 ambi=1 { CA:58.216 } atom: 1151 144Q-HB2 B 1.826 ambi=2 { CB:28.805 } :: atom: 1163 145E-HA A 4.056 ambi=1 { CA:58.216 } atom: 1152 144Q-HB3 B 1.699 ambi=2 { CB:28.805 } ::sumAvg: 4.35 atom: 1151 144Q-HB2 B 1.826 ambi=2 { CB:28.805 } atom: 1166 145E-HG2 G 2.689 ambi=2 { CG:37.935 } :: atom: 1152 144Q-HB3 B 1.699 ambi=2 { CB:28.805 } atom: 1166 145E-HG2 G 2.689 ambi=2 { CG:37.935 } :: atom: 1152 144Q-HB3 B 1.699 ambi=2 { CB:28.805 } atom: 1167 145E-HG3 G 2.139 ambi=2 { CG:37.935 } ::sumAvg: 4.775 atom: 1166 145E-HG2 G 2.689 ambi=2 { CG:37.935 } atom: 1151 144Q-HB2 B 1.826 ambi=2 { CB:28.805 } :: atom: 1166 145E-HG2 G 2.689 ambi=2 { CG:37.935 } atom: 1152 144Q-HB3 B 1.699 ambi=2 { CB:28.805 } :: atom: 1167 145E-HG3 G 2.139 ambi=2 { CG:37.935 } atom: 1152 144Q-HB3 B 1.699 ambi=2 { CB:28.805 } ::sumAvg: 4.775 atom: 1154 144Q-QG G 1.95 ambi=2 { CG:34.558 } atom: 1163 145E-HA A 4.056 ambi=1 { CA:58.216 } ::sumAvg: 4.69 atom: 1177 146L-QD D 0.878 ambi=2 { QCD:23.219 } atom: 1162 145E-H N 8.209 ambi=1 { N:116.426 } ::sumAvg: 4.675 atom: 1173 146L-HA A 4.318 ambi=1 { CA:56.053 } atom: 1165 145E-QB B 2.044 ambi=2 { CB:29.156 } ::sumAvg: 4.285 atom: 1165 145E-QB B 2.044 ambi=2 { CB:29.156 } atom: 1175 146L-HB3 B 1.572 ambi=2 { CB:42.306 } ::sumAvg: 4.97 atom: 1175 146L-HB3 B 1.572 ambi=2 { CB:42.306 } atom: 1165 145E-QB B 2.044 ambi=2 { CB:29.156 } ::sumAvg: 4.97 atom: 1165 145E-QB B 2.044 ambi=2 { CB:29.156 } atom: 1176 146L-HG G 1.54 ambi=1 { CG:26.77 } ::sumAvg: 4.87 atom: 1165 145E-QB B 2.044 ambi=2 { CB:29.156 } atom: 1177 146L-QD D 0.878 ambi=2 { QCD:23.219 } ::sumAvg: 4.235 atom: 1166 145E-HG2 G 2.689 ambi=2 { CG:37.935 } atom: 1176 146L-HG G 1.54 ambi=1 { CG:26.77 } :: atom: 1167 145E-HG3 G 2.139 ambi=2 { CG:37.935 } atom: 1176 146L-HG G 1.54 ambi=1 { CG:26.77 } ::sumAvg: 4.31 atom: 1177 146L-QD D 0.878 ambi=2 { QCD:23.219 } atom: 1166 145E-HG2 G 2.689 ambi=2 { CG:37.935 } :: atom: 1177 146L-QD D 0.878 ambi=2 { QCD:23.219 } atom: 1167 145E-HG3 G 2.139 ambi=2 { CG:37.935 } ::sumAvg: 4.44 atom: 1186 147G-HA2 A 3.943 ambi=2 { CA:45.848 } atom: 1174 146L-HB2 B 1.828 ambi=2 { CB:42.306 } :: atom: 1187 147G-HA3 A 3.918 ambi=2 { CA:45.848 } atom: 1174 146L-HB2 B 1.828 ambi=2 { CB:42.306 } :: atom: 1186 147G-HA2 A 3.943 ambi=2 { CA:45.848 } atom: 1175 146L-HB3 B 1.572 ambi=2 { CB:42.306 } :: atom: 1187 147G-HA3 A 3.918 ambi=2 { CA:45.848 } atom: 1175 146L-HB3 B 1.572 ambi=2 { CB:42.306 } ::sumAvg: 4.54 atom: 1186 147G-HA2 A 3.943 ambi=2 { CA:45.848 } atom: 1195 148L-HD1 D1 0.907 ambi=2 { CD1:24.828 } :: atom: 1186 147G-HA2 A 3.943 ambi=2 { CA:45.848 } atom: 1196 148L-HD2 D2 0.826 ambi=2 { CD2:22.85 } :: atom: 1187 147G-HA3 A 3.918 ambi=2 { CA:45.848 } atom: 1195 148L-HD1 D1 0.907 ambi=2 { CD1:24.828 } :: atom: 1187 147G-HA3 A 3.918 ambi=2 { CA:45.848 } atom: 1196 148L-HD2 D2 0.826 ambi=2 { CD2:22.85 } ::sumAvg: 4.97 atom: 1195 148L-HD1 D1 0.907 ambi=2 { CD1:24.828 } atom: 1186 147G-HA2 A 3.943 ambi=2 { CA:45.848 } :: atom: 1196 148L-HD2 D2 0.826 ambi=2 { CD2:22.85 } atom: 1186 147G-HA2 A 3.943 ambi=2 { CA:45.848 } :: atom: 1195 148L-HD1 D1 0.907 ambi=2 { CD1:24.828 } atom: 1187 147G-HA3 A 3.918 ambi=2 { CA:45.848 } :: atom: 1196 148L-HD2 D2 0.826 ambi=2 { CD2:22.85 } atom: 1187 147G-HA3 A 3.918 ambi=2 { CA:45.848 } ::sumAvg: 4.97 atom: 1191 148L-HA A 4.237 ambi=1 { CA:55.016 } atom: 1205 149E-HB2 B 1.9 ambi=2 { CB:29.746 } :: atom: 1191 148L-HA A 4.237 ambi=1 { CA:55.016 } atom: 1206 149E-HB3 B 1.884 ambi=2 { CB:29.746 } ::sumAvg: 4.98 atom: 1192 148L-HB2 B 1.608 ambi=2 { CB:42.129 } atom: 1204 149E-HA A 4.176 ambi=1 { CA:56.15 } :: atom: 1193 148L-HB3 B 1.515 ambi=2 { CB:42.129 } atom: 1204 149E-HA A 4.176 ambi=1 { CA:56.15 } ::sumAvg: 4.54 atom: 1204 149E-HA A 4.176 ambi=1 { CA:56.15 } atom: 1192 148L-HB2 B 1.608 ambi=2 { CB:42.129 } :: atom: 1204 149E-HA A 4.176 ambi=1 { CA:56.15 } atom: 1193 148L-HB3 B 1.515 ambi=2 { CB:42.129 } ::sumAvg: 4.54 atom: 1195 148L-HD1 D1 0.907 ambi=2 { CD1:24.828 } atom: 1213 150H-H N 8.479 ambi=1 { N:119.009 } :: atom: 1196 148L-HD2 D2 0.826 ambi=2 { CD2:22.85 } atom: 1213 150H-H N 8.479 ambi=1 { N:119.009 } ::sumAvg: 4.585 atom: 1204 149E-HA A 4.176 ambi=1 { CA:56.15 } atom: 1214 150H-HA A 4.62 ambi=1 { CA:55.003 } ::sumAvg: 4.84 atom: 1214 150H-HA A 4.62 ambi=1 { CA:55.003 } atom: 1204 149E-HA A 4.176 ambi=1 { CA:56.15 } ::sumAvg: 4.84 atom: 1207 149E-HG2 G 2.249 ambi=2 { CG:35.036 } atom: 1215 150H-HB2 B 3.181 ambi=2 { CB:28.666 } :: atom: 1207 149E-HG2 G 2.249 ambi=2 { CG:35.036 } atom: 1216 150H-HB3 B 3.07 ambi=2 { CB:28.666 } :: atom: 1208 149E-HG3 G 2.167 ambi=2 { CG:35.036 } atom: 1215 150H-HB2 B 3.181 ambi=2 { CB:28.666 } :: atom: 1208 149E-HG3 G 2.167 ambi=2 { CG:35.036 } atom: 1216 150H-HB3 B 3.07 ambi=2 { CB:28.666 } ::sumAvg: 4.86 atom: 1215 150H-HB2 B 3.181 ambi=2 { CB:28.666 } atom: 1207 149E-HG2 G 2.249 ambi=2 { CG:35.036 } :: atom: 1216 150H-HB3 B 3.07 ambi=2 { CB:28.666 } atom: 1207 149E-HG2 G 2.249 ambi=2 { CG:35.036 } :: atom: 1215 150H-HB2 B 3.181 ambi=2 { CB:28.666 } atom: 1208 149E-HG3 G 2.167 ambi=2 { CG:35.036 } :: atom: 1216 150H-HB3 B 3.07 ambi=2 { CB:28.666 } atom: 1208 149E-HG3 G 2.167 ambi=2 { CG:35.036 } ::sumAvg: 4.86 atom: 1269 155H-HA A 4.642 ambi=1 { CA:57.005 } atom: 1257 154H-H N 8.559 ambi=1 { N:120.543 } ::sumAvg: 4.7