# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 6 12L-H N 7.993 ambi=1 { N:122.279 } atom: 11 13P-HD2 D 3.538 ambi=2 { CD:50.672 } :: atom: 6 12L-H N 7.993 ambi=1 { N:122.279 } atom: 12 13P-HD3 D 3.891 ambi=2 { CD:50.672 } ::sumAvg: 2.195 atom: 6 12L-H N 7.993 ambi=1 { N:122.279 } atom: 8989 13P-QG G 2.022 ambi=2 { CG:27.78 } ::sumAvg: 4.11 atom: 6 12L-H N 7.993 ambi=1 { N:122.279 } atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } ::sumAvg: 4.885 atom: 28 15E-H N 8.997 ambi=1 { N:116.877 } atom: 9 13P-HB2 B 2.383 ambi=2 { CB:31.219 } :: atom: 28 15E-H N 8.997 ambi=1 { N:116.877 } atom: 10 13P-HB3 B 1.914 ambi=2 { CB:31.219 } ::sumAvg: 4.635 atom: 28 15E-H N 8.997 ambi=1 { N:116.877 } atom: 8989 13P-QG G 2.022 ambi=2 { CG:27.78 } ::sumAvg: 4.755 atom: 9954 17W-HE1 E1 10.08 ambi=1 { NE1:129.7 } atom: 20 14P-HG2 G 1.686 ambi=2 { CG:27.601 } :: atom: 9954 17W-HE1 E1 10.08 ambi=1 { NE1:129.7 } atom: 21 14P-HG3 G 1.964 ambi=2 { CG:27.601 } ::sumAvg: 4.97 atom: 28 15E-H N 8.997 ambi=1 { N:116.877 } atom: 47 17W-H N 8.457 ambi=1 { N:123.943 } ::sumAvg: 4.65 atom: 47 17W-H N 8.457 ambi=1 { N:123.943 } atom: 28 15E-H N 8.997 ambi=1 { N:116.877 } ::sumAvg: 4.65 atom: 28 15E-H N 8.997 ambi=1 { N:116.877 } atom: 9951 17W-HD1 D1 7.498 ambi=1 { CD1:127.37 } ::sumAvg: 4.335 atom: 28 15E-H N 8.997 ambi=1 { N:116.877 } atom: 9954 17W-HE1 E1 10.08 ambi=1 { NE1:129.7 } ::sumAvg: 3.91 atom: 9954 17W-HE1 E1 10.08 ambi=1 { NE1:129.7 } atom: 28 15E-H N 8.997 ambi=1 { N:116.877 } ::sumAvg: 3.91 atom: 37 16Q-H N 8.364 ambi=1 { N:119.163 } atom: 31 15E-QB B 1.9775 ambi=2 { CB:29.104 } ::sumAvg: 2.905 atom: 47 17W-H N 8.457 ambi=1 { N:123.943 } atom: 31 15E-QB B 1.9775 ambi=2 { CB:29.104 } ::sumAvg: 4.96 atom: 37 16Q-H N 8.364 ambi=1 { N:119.163 } atom: 48 17W-HA A 4.216 ambi=1 { CA:59.496 } ::sumAvg: 4.915 atom: 8215 16Q-HE21 E2 6.81 ambi=2 { NE2:112.4 } atom: 38 16Q-HA A 4.417 ambi=1 { CA:55.521 } :: atom: 8216 16Q-HE22 E2 7.55 ambi=2 { NE2:112.4 } atom: 38 16Q-HA A 4.417 ambi=1 { CA:55.521 } ::sumAvg: 4.275 atom: 102 24N-H N 8.084 ambi=1 { N:116.048 } atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } :: atom: 102 24N-H N 8.084 ambi=1 { N:116.048 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } ::sumAvg: 4.715 atom: 109 25A-H N 7.842 ambi=1 { N:123.506 } atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } :: atom: 109 25A-H N 7.842 ambi=1 { N:123.506 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } ::sumAvg: 4.455 atom: 476 66C-H N 8.177 ambi=1 { N:118.973 } atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } :: atom: 476 66C-H N 8.177 ambi=1 { N:118.973 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } ::sumAvg: 4.665 atom: 513 70G-H N 8.181 ambi=1 { N:108.539 } atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } :: atom: 513 70G-H N 8.181 ambi=1 { N:108.539 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } ::sumAvg: 4.75 atom: 54 18S-H N 8.359 ambi=1 { N:117.131 } atom: 41 16Q-QG G 2.269 ambi=2 { CG:34.052 } ::sumAvg: 4.86 atom: 8215 16Q-HE21 E2 6.81 ambi=2 { NE2:112.4 } atom: 47 17W-H N 8.457 ambi=1 { N:123.943 } :: atom: 8216 16Q-HE22 E2 7.55 ambi=2 { NE2:112.4 } atom: 47 17W-H N 8.457 ambi=1 { N:123.943 } ::sumAvg: 4.995 atom: 47 17W-H N 8.457 ambi=1 { N:123.943 } atom: 8215 16Q-HE21 E2 6.81 ambi=2 { NE2:112.4 } :: atom: 47 17W-H N 8.457 ambi=1 { N:123.943 } atom: 8216 16Q-HE22 E2 7.55 ambi=2 { NE2:112.4 } ::sumAvg: 4.995 atom: 47 17W-H N 8.457 ambi=1 { N:123.943 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } ::sumAvg: 4.01 atom: 76 21T-H N 7.366 ambi=1 { N:117.272 } atom: 48 17W-HA A 4.216 ambi=1 { CA:59.496 } ::sumAvg: 4.98 atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } atom: 48 17W-HA A 4.216 ambi=1 { CA:59.496 } ::sumAvg: 4.955 atom: 9954 17W-HE1 E1 10.08 ambi=1 { NE1:129.7 } atom: 49 17W-HB2 B 2.919 ambi=2 { CB:29.005 } :: atom: 9954 17W-HE1 E1 10.08 ambi=1 { NE1:129.7 } atom: 50 17W-HB3 B 3.059 ambi=2 { CB:29.005 } ::sumAvg: 4.92 atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } atom: 49 17W-HB2 B 2.919 ambi=2 { CB:29.005 } :: atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } atom: 50 17W-HB3 B 3.059 ambi=2 { CB:29.005 } ::sumAvg: 4.59 atom: 54 18S-H N 8.359 ambi=1 { N:117.131 } atom: 9942 17W-HE3 E3 7.46 ambi=1 { CE3:120 } ::sumAvg: 4.435 atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } atom: 9944 17W-HZ3 Z3 6.847 ambi=1 { CZ3:121.06 } ::sumAvg: 4.98 atom: 109 25A-H N 7.842 ambi=1 { N:123.506 } atom: 9944 17W-HZ3 Z3 6.847 ambi=1 { CZ3:121.06 } ::sumAvg: 4.58 atom: 9954 17W-HE1 E1 10.08 ambi=1 { NE1:129.7 } atom: 9946 17W-HH2 H2 6.598 ambi=1 { CH2:123.7 } ::sumAvg: 4.975 atom: 54 18S-H N 8.359 ambi=1 { N:117.131 } atom: 55 18S-HA A 4.513 ambi=1 { CA:55.99 } ::sumAvg: 2.905 atom: 54 18S-H N 8.359 ambi=1 { N:117.131 } atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } ::sumAvg: 4.475 atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } atom: 54 18S-H N 8.359 ambi=1 { N:117.131 } ::sumAvg: 4.475 atom: 54 18S-H N 8.359 ambi=1 { N:117.131 } atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } ::sumAvg: 4.72 atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } atom: 54 18S-H N 8.359 ambi=1 { N:117.131 } ::sumAvg: 4.72 atom: 76 21T-H N 7.366 ambi=1 { N:117.272 } atom: 54 18S-H N 8.359 ambi=1 { N:117.131 } ::sumAvg: 3.29 atom: 54 18S-H N 8.359 ambi=1 { N:117.131 } atom: 77 21T-HA A 3.672 ambi=1 { CA:65.14 } ::sumAvg: 4.7 atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } atom: 55 18S-HA A 4.513 ambi=1 { CA:55.99 } ::sumAvg: 2.62 atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } atom: 55 18S-HA A 4.513 ambi=1 { CA:55.99 } ::sumAvg: 4.565 atom: 76 21T-H N 7.366 ambi=1 { N:117.272 } atom: 55 18S-HA A 4.513 ambi=1 { CA:55.99 } ::sumAvg: 4.685 atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } atom: 56 18S-HB2 B 4.272 ambi=2 { CB:66.818 } :: atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } atom: 57 18S-HB3 B 3.852 ambi=2 { CB:66.818 } ::sumAvg: 2.58 atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } :: atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } ::sumAvg: 4.95 atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } atom: 62 19H-HA A 3.948 ambi=1 { CA:61.37 } ::sumAvg: 2.81 atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } atom: 63 19H-HB2 B 2.929 ambi=2 { CB:30.306 } :: atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } atom: 64 19H-HB3 B 2.812 ambi=2 { CB:30.306 } ::sumAvg: 2.47 atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } atom: 7767 19H-HD2 D2 6.701 ambi=1 { CD2:118.2 } ::sumAvg: 3.835 atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } ::sumAvg: 2.735 atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } ::sumAvg: 2.735 atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } atom: 76 21T-H N 7.366 ambi=1 { N:117.272 } ::sumAvg: 4.075 atom: 76 21T-H N 7.366 ambi=1 { N:117.272 } atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } ::sumAvg: 4.075 atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } ::sumAvg: 3.82 atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } atom: 62 19H-HA A 3.948 ambi=1 { CA:61.37 } ::sumAvg: 3.51 atom: 76 21T-H N 7.366 ambi=1 { N:117.272 } atom: 62 19H-HA A 3.948 ambi=1 { CA:61.37 } ::sumAvg: 4.465 atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } atom: 62 19H-HA A 3.948 ambi=1 { CA:61.37 } ::sumAvg: 3.955 atom: 437 61V-H N 7.9 ambi=1 { N:122.088 } atom: 63 19H-HB2 B 2.929 ambi=2 { CB:30.306 } :: atom: 437 61V-H N 7.9 ambi=1 { N:122.088 } atom: 64 19H-HB3 B 2.812 ambi=2 { CB:30.306 } ::sumAvg: 4.585 atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } atom: 7767 19H-HD2 D2 6.701 ambi=1 { CD2:118.2 } ::sumAvg: 4.64 atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } :: atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } ::sumAvg: 4.835 atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } ::sumAvg: 4.935 atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } ::sumAvg: 4.31 atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } ::sumAvg: 4.31 atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } atom: 93 23R-H N 8.357 ambi=1 { N:120.207 } ::sumAvg: 4.925 atom: 93 23R-H N 8.357 ambi=1 { N:120.207 } atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } ::sumAvg: 4.925 atom: 102 24N-H N 8.084 ambi=1 { N:116.048 } atom: 70 20T-HA A 3.75 ambi=1 { CA:66.06 } ::sumAvg: 4.96 atom: 93 23R-H N 8.357 ambi=1 { N:120.207 } atom: 71 20T-HG2 G2 1.075 ambi=2 { CG2:21.866 } ::sumAvg: 4.69 atom: 76 21T-H N 7.366 ambi=1 { N:117.272 } atom: 93 23R-H N 8.357 ambi=1 { N:120.207 } ::sumAvg: 4.17 atom: 93 23R-H N 8.357 ambi=1 { N:120.207 } atom: 76 21T-H N 7.366 ambi=1 { N:117.272 } ::sumAvg: 4.17 atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } atom: 77 21T-HA A 3.672 ambi=1 { CA:65.14 } ::sumAvg: 3.555 atom: 93 23R-H N 8.357 ambi=1 { N:120.207 } atom: 77 21T-HA A 3.672 ambi=1 { CA:65.14 } ::sumAvg: 4.315 atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } ::sumAvg: 3.535 atom: 102 24N-H N 8.084 ambi=1 { N:116.048 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } ::sumAvg: 4.825 atom: 5203 24N-HD21 D2 6.913 ambi=2 { ND2:112.3 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } :: atom: 5204 24N-HD22 D2 7.578 ambi=2 { ND2:112.3 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } ::sumAvg: 4.53 atom: 109 25A-H N 7.842 ambi=1 { N:123.506 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } ::sumAvg: 4.765 atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } atom: 85 22V-HB B 2.055 ambi=1 { CB:31.34 } ::sumAvg: 3.025 atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } atom: 95 23R-HB2 B 1.938 ambi=2 { CB:29.46 } :: atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } atom: 96 23R-HB3 B 1.621 ambi=2 { CB:29.46 } ::sumAvg: 4.87 atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } atom: 109 25A-H N 7.842 ambi=1 { N:123.506 } ::sumAvg: 4.94 atom: 93 23R-H N 8.357 ambi=1 { N:120.207 } atom: 109 25A-H N 7.842 ambi=1 { N:123.506 } ::sumAvg: 4.04 atom: 93 23R-H N 8.357 ambi=1 { N:120.207 } atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } ::sumAvg: 4.695 atom: 93 23R-H N 8.357 ambi=1 { N:120.207 } atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } :: atom: 93 23R-H N 8.357 ambi=1 { N:120.207 } atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } ::sumAvg: 4.75 atom: 93 23R-H N 8.357 ambi=1 { N:120.207 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } ::sumAvg: 4.74 atom: 102 24N-H N 8.084 ambi=1 { N:116.048 } atom: 7793 23R-QD D 3.267 ambi=2 { CD:43.404 } ::sumAvg: 4.4 atom: 115 26L-H N 8.691 ambi=1 { N:117.957 } atom: 102 24N-H N 8.084 ambi=1 { N:116.048 } ::sumAvg: 4.36 atom: 102 24N-H N 8.084 ambi=1 { N:116.048 } atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } ::sumAvg: 4.895 atom: 5203 24N-HD21 D2 6.913 ambi=2 { ND2:112.3 } atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } :: atom: 5204 24N-HD22 D2 7.578 ambi=2 { ND2:112.3 } atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } ::sumAvg: 4.4 atom: 109 25A-H N 7.842 ambi=1 { N:123.506 } atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } ::sumAvg: 3.52 atom: 115 26L-H N 8.691 ambi=1 { N:117.957 } atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } ::sumAvg: 4.645 atom: 136 28D-H N 7.421 ambi=1 { N:118.199 } atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } ::sumAvg: 4.52 atom: 109 25A-H N 7.842 ambi=1 { N:123.506 } atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } ::sumAvg: 4.855 atom: 109 25A-H N 7.842 ambi=1 { N:123.506 } atom: 136 28D-H N 7.421 ambi=1 { N:118.199 } ::sumAvg: 4.985 atom: 136 28D-H N 7.421 ambi=1 { N:118.199 } atom: 109 25A-H N 7.842 ambi=1 { N:123.506 } ::sumAvg: 4.985 atom: 109 25A-H N 7.842 ambi=1 { N:123.506 } atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } ::sumAvg: 4.765 atom: 126 27K-H N 8.164 ambi=1 { N:116.679 } atom: 110 25A-HA A 4.242 ambi=1 { CA:55.312 } ::sumAvg: 4.38 atom: 143 29L-H N 8.542 ambi=1 { N:121.732 } atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } ::sumAvg: 4.64 atom: 115 26L-H N 8.691 ambi=1 { N:117.957 } atom: 118 26L-HG G 1.336 ambi=1 { CG:27.13 } ::sumAvg: 3.425 atom: 115 26L-H N 8.691 ambi=1 { N:117.957 } atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } ::sumAvg: 4.45 atom: 115 26L-H N 8.691 ambi=1 { N:117.957 } atom: 136 28D-H N 7.421 ambi=1 { N:118.199 } ::sumAvg: 4.405 atom: 115 26L-H N 8.691 ambi=1 { N:117.957 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 3.92 atom: 115 26L-H N 8.691 ambi=1 { N:117.957 } atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } ::sumAvg: 4.89 atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } :: atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } ::sumAvg: 4.555 atom: 126 27K-H N 8.164 ambi=1 { N:116.679 } atom: 118 26L-HG G 1.336 ambi=1 { CG:27.13 } ::sumAvg: 3.975 atom: 126 27K-H N 8.164 ambi=1 { N:116.679 } atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } ::sumAvg: 4.605 atom: 143 29L-H N 8.542 ambi=1 { N:121.732 } atom: 127 27K-HA A 3.869 ambi=1 { CA:60.275 } ::sumAvg: 4.505 atom: 143 29L-H N 8.542 ambi=1 { N:121.732 } atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } ::sumAvg: 4.825 atom: 136 28D-H N 7.421 ambi=1 { N:118.199 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 4.685 atom: 136 28D-H N 7.421 ambi=1 { N:118.199 } atom: 1147 29L-HG G 2.317 ambi=1 { CG:27.33 } ::sumAvg: 4.405 atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } atom: 136 28D-H N 7.421 ambi=1 { N:118.199 } ::sumAvg: 4.1 atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } atom: 137 28D-HA A 4.483 ambi=1 { CA:57.708 } ::sumAvg: 4.78 atom: 182 32D-H N 7.531 ambi=1 { N:115.412 } atom: 137 28D-HA A 4.483 ambi=1 { CA:57.708 } ::sumAvg: 4.855 atom: 143 29L-H N 8.542 ambi=1 { N:121.732 } atom: 165 31K-H N 7.356 ambi=1 { N:118.384 } ::sumAvg: 4.07 atom: 143 29L-H N 8.542 ambi=1 { N:121.732 } atom: 167 31K-QB B 1.887 ambi=2 { CB:32.407 } ::sumAvg: 4.905 atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } atom: 144 29L-HA A 4.285 ambi=1 { CA:58.11 } ::sumAvg: 3.54 atom: 182 32D-H N 7.531 ambi=1 { N:115.412 } atom: 144 29L-HA A 4.285 ambi=1 { CA:58.11 } ::sumAvg: 4.375 atom: 189 33M-H N 7.912 ambi=1 { N:118.971 } atom: 144 29L-HA A 4.285 ambi=1 { CA:58.11 } ::sumAvg: 4.74 atom: 165 31K-H N 7.356 ambi=1 { N:118.384 } atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } :: atom: 165 31K-H N 7.356 ambi=1 { N:118.384 } atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } ::sumAvg: 4.75 atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } atom: 166 31K-HA A 4.16 ambi=1 { CA:58.914 } ::sumAvg: 4.97 atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } atom: 167 31K-QB B 1.887 ambi=2 { CB:32.407 } ::sumAvg: 4.4 atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } atom: 182 32D-H N 7.531 ambi=1 { N:115.412 } ::sumAvg: 4.665 atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } atom: 189 33M-H N 7.912 ambi=1 { N:118.971 } ::sumAvg: 4.875 atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } :: atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } ::sumAvg: 3.625 atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } :: atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } ::sumAvg: 4.96 atom: 222 36S-H N 8.413 ambi=1 { N:114.335 } atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } :: atom: 222 36S-H N 8.413 ambi=1 { N:114.335 } atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } ::sumAvg: 4.985 atom: 379 53V-H N 8.303 ambi=1 { N:115.656 } atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } :: atom: 379 53V-H N 8.303 ambi=1 { N:115.656 } atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } ::sumAvg: 4.725 atom: 165 31K-H N 7.356 ambi=1 { N:118.384 } atom: 189 33M-H N 7.912 ambi=1 { N:118.971 } ::sumAvg: 3.885 atom: 182 32D-H N 7.531 ambi=1 { N:115.412 } atom: 190 33M-HA A 4.668 ambi=1 { CA:54.747 } ::sumAvg: 4.98 atom: 182 32D-H N 7.531 ambi=1 { N:115.412 } atom: 191 33M-HB2 B 1.961 ambi=2 { CB:36.099 } :: atom: 182 32D-H N 7.531 ambi=1 { N:115.412 } atom: 192 33M-HB3 B 2.108 ambi=2 { CB:36.099 } ::sumAvg: 4.555 atom: 199 34N-H N 8.208 ambi=1 { N:116.256 } atom: 203 34N-HD21 D2 7.681 ambi=2 { ND2:113.6 } :: atom: 199 34N-H N 8.208 ambi=1 { N:116.256 } atom: 204 34N-HD22 D2 6.977 ambi=2 { ND2:113.6 } ::sumAvg: 3.81 atom: 203 34N-HD21 D2 7.681 ambi=2 { ND2:113.6 } atom: 199 34N-H N 8.208 ambi=1 { N:116.256 } :: atom: 204 34N-HD22 D2 6.977 ambi=2 { ND2:113.6 } atom: 199 34N-H N 8.208 ambi=1 { N:116.256 } ::sumAvg: 3.81 atom: 203 34N-HD21 D2 7.681 ambi=2 { ND2:113.6 } atom: 200 34N-HA A 4.837 ambi=1 { CA:52.054 } :: atom: 204 34N-HD22 D2 6.977 ambi=2 { ND2:113.6 } atom: 200 34N-HA A 4.837 ambi=1 { CA:52.054 } ::sumAvg: 3.92 atom: 222 36S-H N 8.413 ambi=1 { N:114.335 } atom: 200 34N-HA A 4.837 ambi=1 { CA:52.054 } ::sumAvg: 4.505 atom: 229 37S-H N 8.133 ambi=1 { N:118.759 } atom: 200 34N-HA A 4.837 ambi=1 { CA:52.054 } ::sumAvg: 4.8 atom: 229 37S-H N 8.133 ambi=1 { N:118.759 } atom: 201 34N-HB2 B 3.132 ambi=2 { CB:39.349 } :: atom: 229 37S-H N 8.133 ambi=1 { N:118.759 } atom: 202 34N-HB3 B 2.862 ambi=2 { CB:39.349 } ::sumAvg: 3.39 atom: 203 34N-HD21 D2 7.681 ambi=2 { ND2:113.6 } atom: 209 35Q-H N 8.858 ambi=1 { N:119.983 } :: atom: 204 34N-HD22 D2 6.977 ambi=2 { ND2:113.6 } atom: 209 35Q-H N 8.858 ambi=1 { N:119.983 } ::sumAvg: 4.79 atom: 209 35Q-H N 8.858 ambi=1 { N:119.983 } atom: 203 34N-HD21 D2 7.681 ambi=2 { ND2:113.6 } :: atom: 209 35Q-H N 8.858 ambi=1 { N:119.983 } atom: 204 34N-HD22 D2 6.977 ambi=2 { ND2:113.6 } ::sumAvg: 4.79 atom: 203 34N-HD21 D2 7.681 ambi=2 { ND2:113.6 } atom: 222 36S-H N 8.413 ambi=1 { N:114.335 } :: atom: 204 34N-HD22 D2 6.977 ambi=2 { ND2:113.6 } atom: 222 36S-H N 8.413 ambi=1 { N:114.335 } ::sumAvg: 4.775 atom: 222 36S-H N 8.413 ambi=1 { N:114.335 } atom: 203 34N-HD21 D2 7.681 ambi=2 { ND2:113.6 } :: atom: 222 36S-H N 8.413 ambi=1 { N:114.335 } atom: 204 34N-HD22 D2 6.977 ambi=2 { ND2:113.6 } ::sumAvg: 4.775 atom: 203 34N-HD21 D2 7.681 ambi=2 { ND2:113.6 } atom: 224 36S-QB B 3.858 ambi=2 { CB:62.462 } :: atom: 204 34N-HD22 D2 6.977 ambi=2 { ND2:113.6 } atom: 224 36S-QB B 3.858 ambi=2 { CB:62.462 } ::sumAvg: 4.495 atom: 203 34N-HD21 D2 7.681 ambi=2 { ND2:113.6 } atom: 229 37S-H N 8.133 ambi=1 { N:118.759 } :: atom: 204 34N-HD22 D2 6.977 ambi=2 { ND2:113.6 } atom: 229 37S-H N 8.133 ambi=1 { N:118.759 } ::sumAvg: 4.71 atom: 229 37S-H N 8.133 ambi=1 { N:118.759 } atom: 203 34N-HD21 D2 7.681 ambi=2 { ND2:113.6 } :: atom: 229 37S-H N 8.133 ambi=1 { N:118.759 } atom: 204 34N-HD22 D2 6.977 ambi=2 { ND2:113.6 } ::sumAvg: 4.71 atom: 209 35Q-H N 8.858 ambi=1 { N:119.983 } atom: 224 36S-QB B 3.858 ambi=2 { CB:62.462 } ::sumAvg: 4.91 atom: 209 35Q-H N 8.858 ambi=1 { N:119.983 } atom: 229 37S-H N 8.133 ambi=1 { N:118.759 } ::sumAvg: 4.205 atom: 229 37S-H N 8.133 ambi=1 { N:118.759 } atom: 209 35Q-H N 8.858 ambi=1 { N:119.983 } ::sumAvg: 4.205 atom: 215 35Q-HE21 E2 6.74 ambi=2 { NE2:109.7 } atom: 210 35Q-HA A 3.796 ambi=1 { CA:60.248 } :: atom: 216 35Q-HE22 E2 7.228 ambi=2 { NE2:109.7 } atom: 210 35Q-HA A 3.796 ambi=1 { CA:60.248 } ::sumAvg: 4.975 atom: 222 36S-H N 8.413 ambi=1 { N:114.335 } atom: 210 35Q-HA A 3.796 ambi=1 { CA:60.248 } ::sumAvg: 3.55 atom: 314 46Q-HE21 E2 6.795 ambi=2 { NE2:111.9 } atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } :: atom: 315 46Q-HE22 E2 7.559 ambi=2 { NE2:111.9 } atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } ::sumAvg: 4.705 atom: 353 50S-H N 8.097 ambi=1 { N:112.353 } atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } ::sumAvg: 4.53 atom: 215 35Q-HE21 E2 6.74 ambi=2 { NE2:109.7 } atom: 315 46Q-HE22 E2 7.559 ambi=2 { NE2:111.9 } :: atom: 216 35Q-HE22 E2 7.228 ambi=2 { NE2:109.7 } atom: 314 46Q-HE21 E2 6.795 ambi=2 { NE2:111.9 } ::sumAvg: 4.86 atom: 315 46Q-HE22 E2 7.559 ambi=2 { NE2:111.9 } atom: 215 35Q-HE21 E2 6.74 ambi=2 { NE2:109.7 } :: atom: 314 46Q-HE21 E2 6.795 ambi=2 { NE2:111.9 } atom: 216 35Q-HE22 E2 7.228 ambi=2 { NE2:109.7 } ::sumAvg: 4.86 atom: 353 50S-H N 8.097 ambi=1 { N:112.353 } atom: 215 35Q-HE21 E2 6.74 ambi=2 { NE2:109.7 } :: atom: 353 50S-H N 8.097 ambi=1 { N:112.353 } atom: 216 35Q-HE22 E2 7.228 ambi=2 { NE2:109.7 } ::sumAvg: 4.84 atom: 215 35Q-HE21 E2 6.74 ambi=2 { NE2:109.7 } atom: 6203 54N-HD21 D2 7.487 ambi=2 { ND2:113.8 } ::sumAvg: 4.305 atom: 6203 54N-HD21 D2 7.487 ambi=2 { ND2:113.8 } atom: 215 35Q-HE21 E2 6.74 ambi=2 { NE2:109.7 } ::sumAvg: 4.305 atom: 222 36S-H N 8.413 ambi=1 { N:114.335 } atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } ::sumAvg: 4.51 atom: 222 36S-H N 8.413 ambi=1 { N:114.335 } atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } ::sumAvg: 4.65 atom: 222 36S-H N 8.413 ambi=1 { N:114.335 } atom: 314 46Q-HE21 E2 6.795 ambi=2 { NE2:111.9 } :: atom: 222 36S-H N 8.413 ambi=1 { N:114.335 } atom: 315 46Q-HE22 E2 7.559 ambi=2 { NE2:111.9 } ::sumAvg: 4.955 atom: 314 46Q-HE21 E2 6.795 ambi=2 { NE2:111.9 } atom: 222 36S-H N 8.413 ambi=1 { N:114.335 } :: atom: 315 46Q-HE22 E2 7.559 ambi=2 { NE2:111.9 } atom: 222 36S-H N 8.413 ambi=1 { N:114.335 } ::sumAvg: 4.955 atom: 229 37S-H N 8.133 ambi=1 { N:118.759 } atom: 223 36S-HA A 4.06 ambi=1 { CA:61.114 } ::sumAvg: 3.535 atom: 314 46Q-HE21 E2 6.795 ambi=2 { NE2:111.9 } atom: 223 36S-HA A 4.06 ambi=1 { CA:61.114 } :: atom: 315 46Q-HE22 E2 7.559 ambi=2 { NE2:111.9 } atom: 223 36S-HA A 4.06 ambi=1 { CA:61.114 } ::sumAvg: 4.075 atom: 229 37S-H N 8.133 ambi=1 { N:118.759 } atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } ::sumAvg: 4.76 atom: 229 37S-H N 8.133 ambi=1 { N:118.759 } atom: 251 40K-H N 7.317 ambi=1 { N:115.241 } ::sumAvg: 4.97 atom: 243 39A-H N 8.088 ambi=1 { N:121.176 } atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } ::sumAvg: 4.915 atom: 251 40K-H N 7.317 ambi=1 { N:115.241 } atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } ::sumAvg: 4.885 atom: 236 38L-H N 8.106 ambi=1 { N:122.957 } atom: 4236 38L-HG G 1.6 ambi=1 { CG:27.76 } ::sumAvg: 3.47 atom: 236 38L-H N 8.106 ambi=1 { N:122.957 } atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } ::sumAvg: 4.335 atom: 236 38L-H N 8.106 ambi=1 { N:122.957 } atom: 346 49I-HD1 D1 0.537 ambi=2 { CD1:13.6 } ::sumAvg: 4.81 atom: 243 39A-H N 8.088 ambi=1 { N:121.176 } atom: 4236 38L-HG G 1.6 ambi=1 { CG:27.76 } ::sumAvg: 3.97 atom: 265 41E-H N 7.385 ambi=1 { N:115.291 } atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } :: atom: 265 41E-H N 7.385 ambi=1 { N:115.291 } atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } ::sumAvg: 4.53 atom: 243 39A-H N 8.088 ambi=1 { N:121.176 } atom: 265 41E-H N 7.385 ambi=1 { N:115.291 } ::sumAvg: 4.335 atom: 265 41E-H N 7.385 ambi=1 { N:115.291 } atom: 243 39A-H N 8.088 ambi=1 { N:121.176 } ::sumAvg: 4.335 atom: 243 39A-H N 8.088 ambi=1 { N:121.176 } atom: 275 42C-H N 7.629 ambi=1 { N:117.545 } ::sumAvg: 4.76 atom: 275 42C-H N 7.629 ambi=1 { N:117.545 } atom: 243 39A-H N 8.088 ambi=1 { N:121.176 } ::sumAvg: 4.76 atom: 243 39A-H N 8.088 ambi=1 { N:121.176 } atom: 309 46Q-HA A 3.681 ambi=1 { CA:60.583 } ::sumAvg: 4.77 atom: 243 39A-H N 8.088 ambi=1 { N:121.176 } atom: 310 46Q-QB B 1.995 ambi=2 { CB:28.134 } ::sumAvg: 4.695 atom: 243 39A-H N 8.088 ambi=1 { N:121.176 } atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } ::sumAvg: 4.605 atom: 243 39A-H N 8.088 ambi=1 { N:121.176 } atom: 346 49I-HD1 D1 0.537 ambi=2 { CD1:13.6 } ::sumAvg: 3.47 atom: 290 44L-H N 7.438 ambi=1 { N:118.932 } atom: 244 39A-HA A 4.012 ambi=1 { CA:54.431 } ::sumAvg: 4.48 atom: 275 42C-H N 7.629 ambi=1 { N:117.545 } atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } ::sumAvg: 4.79 atom: 314 46Q-HE21 E2 6.795 ambi=2 { NE2:111.9 } atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } :: atom: 315 46Q-HE22 E2 7.559 ambi=2 { NE2:111.9 } atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } ::sumAvg: 4.94 atom: 321 47S-H N 8.397 ambi=1 { N:112.912 } atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } ::sumAvg: 4.85 atom: 340 49I-H N 8.305 ambi=1 { N:119.136 } atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } ::sumAvg: 4.99 atom: 251 40K-H N 7.317 ambi=1 { N:115.241 } atom: 267 41E-HB2 B 1.819 ambi=2 { CB:31.868 } :: atom: 251 40K-H N 7.317 ambi=1 { N:115.241 } atom: 268 41E-HB3 B 2.205 ambi=2 { CB:31.868 } ::sumAvg: 4.71 atom: 251 40K-H N 7.317 ambi=1 { N:115.241 } atom: 269 41E-HG2 G 2.385 ambi=2 { CG:35.748 } :: atom: 251 40K-H N 7.317 ambi=1 { N:115.241 } atom: 270 41E-HG3 G 2.312 ambi=2 { CG:35.748 } ::sumAvg: 4.565 atom: 275 42C-H N 7.629 ambi=1 { N:117.545 } atom: 253 40K-QB B 1.915 ambi=2 { CB:32.6 } ::sumAvg: 4.745 atom: 9930 72W-HE1 E1 10.26 ambi=1 { NE1:132.19 } atom: 266 41E-HA A 4.295 ambi=1 { CA:56.856 } ::sumAvg: 3.975 atom: 275 42C-H N 7.629 ambi=1 { N:117.545 } atom: 346 49I-HD1 D1 0.537 ambi=2 { CD1:13.6 } ::sumAvg: 4.83 atom: 275 42C-H N 7.629 ambi=1 { N:117.545 } atom: 9934 72W-HZ2 Z2 6.345 ambi=1 { CZ2:114.3 } ::sumAvg: 4.98 atom: 301 45S-H N 7.842 ambi=1 { N:116.305 } atom: 294 44L-HG G 1.536 ambi=1 { CG:27.05 } ::sumAvg: 4.19 atom: 466 65K-H N 7.92 ambi=1 { N:120.121 } atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } :: atom: 466 65K-H N 7.92 ambi=1 { N:120.121 } atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } ::sumAvg: 4.485 atom: 301 45S-H N 7.842 ambi=1 { N:116.305 } atom: 308 46Q-H N 9.116 ambi=1 { N:120.751 } ::sumAvg: 4.605 atom: 308 46Q-H N 9.116 ambi=1 { N:120.751 } atom: 301 45S-H N 7.842 ambi=1 { N:116.305 } ::sumAvg: 4.605 atom: 301 45S-H N 7.842 ambi=1 { N:116.305 } atom: 1468 65K-QE E 2.935 ambi=2 { CE:42.119 } ::sumAvg: 4.33 atom: 321 47S-H N 8.397 ambi=1 { N:112.912 } atom: 302 45S-HA A 4.437 ambi=1 { CA:56.716 } ::sumAvg: 4.195 atom: 328 48M-H N 7.622 ambi=1 { N:123.332 } atom: 302 45S-HA A 4.437 ambi=1 { CA:56.716 } ::sumAvg: 4.435 atom: 321 47S-H N 8.397 ambi=1 { N:112.912 } atom: 303 45S-HB2 B 4.305 ambi=2 { CB:65.46 } :: atom: 321 47S-H N 8.397 ambi=1 { N:112.912 } atom: 304 45S-HB3 B 3.974 ambi=2 { CB:65.46 } ::sumAvg: 3.715 atom: 340 49I-H N 8.305 ambi=1 { N:119.136 } atom: 303 45S-HB2 B 4.305 ambi=2 { CB:65.46 } :: atom: 340 49I-H N 8.305 ambi=1 { N:119.136 } atom: 304 45S-HB3 B 3.974 ambi=2 { CB:65.46 } ::sumAvg: 4.945 atom: 308 46Q-H N 9.116 ambi=1 { N:120.751 } atom: 321 47S-H N 8.397 ambi=1 { N:112.912 } ::sumAvg: 2.79 atom: 308 46Q-H N 9.116 ambi=1 { N:120.751 } atom: 323 47S-QB B 3.783 ambi=2 { CB:62.426 } ::sumAvg: 4.895 atom: 308 46Q-H N 9.116 ambi=1 { N:120.751 } atom: 328 48M-H N 7.622 ambi=1 { N:123.332 } ::sumAvg: 4.21 atom: 328 48M-H N 7.622 ambi=1 { N:123.332 } atom: 308 46Q-H N 9.116 ambi=1 { N:120.751 } ::sumAvg: 4.21 atom: 308 46Q-H N 9.116 ambi=1 { N:120.751 } atom: 340 49I-H N 8.305 ambi=1 { N:119.136 } ::sumAvg: 4.85 atom: 340 49I-H N 8.305 ambi=1 { N:119.136 } atom: 308 46Q-H N 9.116 ambi=1 { N:120.751 } ::sumAvg: 4.85 atom: 308 46Q-H N 9.116 ambi=1 { N:120.751 } atom: 346 49I-HD1 D1 0.537 ambi=2 { CD1:13.6 } ::sumAvg: 4.975 atom: 321 47S-H N 8.397 ambi=1 { N:112.912 } atom: 309 46Q-HA A 3.681 ambi=1 { CA:60.583 } ::sumAvg: 3.53 atom: 328 48M-H N 7.622 ambi=1 { N:123.332 } atom: 309 46Q-HA A 3.681 ambi=1 { CA:60.583 } ::sumAvg: 4.295 atom: 328 48M-H N 7.622 ambi=1 { N:123.332 } atom: 310 46Q-QB B 1.995 ambi=2 { CB:28.134 } ::sumAvg: 4.72 atom: 321 47S-H N 8.397 ambi=1 { N:112.912 } atom: 312 46Q-QG G 2.272 ambi=2 { CG:34.395 } ::sumAvg: 3.8 atom: 340 49I-H N 8.305 ambi=1 { N:119.136 } atom: 312 46Q-QG G 2.272 ambi=2 { CG:34.395 } ::sumAvg: 4.84 atom: 353 50S-H N 8.097 ambi=1 { N:112.353 } atom: 312 46Q-QG G 2.272 ambi=2 { CG:34.395 } ::sumAvg: 4.285 atom: 328 48M-H N 7.622 ambi=1 { N:123.332 } atom: 321 47S-H N 8.397 ambi=1 { N:112.912 } ::sumAvg: 2.6 atom: 321 47S-H N 8.397 ambi=1 { N:112.912 } atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } :: atom: 321 47S-H N 8.397 ambi=1 { N:112.912 } atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } ::sumAvg: 4.725 atom: 328 48M-H N 7.622 ambi=1 { N:123.332 } atom: 322 47S-HA A 4.091 ambi=1 { CA:61.097 } ::sumAvg: 3.515 atom: 359 51S-H N 7.901 ambi=1 { N:115.934 } atom: 323 47S-QB B 3.783 ambi=2 { CB:62.426 } ::sumAvg: 4.715 atom: 353 50S-H N 8.097 ambi=1 { N:112.353 } atom: 328 48M-H N 7.622 ambi=1 { N:123.332 } ::sumAvg: 4.225 atom: 359 51S-H N 7.901 ambi=1 { N:115.934 } atom: 329 48M-HA A 4.024 ambi=1 { CA:59.074 } ::sumAvg: 3.58 atom: 366 52I-H N 7.987 ambi=1 { N:120.449 } atom: 329 48M-HA A 4.024 ambi=1 { CA:59.074 } ::sumAvg: 3.855 atom: 340 49I-H N 8.305 ambi=1 { N:119.136 } atom: 355 50S-QB B 3.875 ambi=2 { CB:63.06 } ::sumAvg: 4.635 atom: 340 49I-H N 8.305 ambi=1 { N:119.136 } atom: 359 51S-H N 7.901 ambi=1 { N:115.934 } ::sumAvg: 4.175 atom: 359 51S-H N 7.901 ambi=1 { N:115.934 } atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } ::sumAvg: 4.74 atom: 379 53V-H N 8.303 ambi=1 { N:115.656 } atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } ::sumAvg: 4.33 atom: 353 50S-H N 8.097 ambi=1 { N:112.353 } atom: 361 51S-HB2 B 3.595 ambi=2 { CB:63.012 } :: atom: 353 50S-H N 8.097 ambi=1 { N:112.353 } atom: 362 51S-HB3 B 3.804 ambi=2 { CB:63.012 } ::sumAvg: 4.915 atom: 353 50S-H N 8.097 ambi=1 { N:112.353 } atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } :: atom: 353 50S-H N 8.097 ambi=1 { N:112.353 } atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } ::sumAvg: 4.985 atom: 359 51S-H N 7.901 ambi=1 { N:115.934 } atom: 354 50S-HA A 3.979 ambi=1 { CA:61.749 } ::sumAvg: 3.53 atom: 366 52I-H N 7.987 ambi=1 { N:120.449 } atom: 354 50S-HA A 3.979 ambi=1 { CA:61.749 } ::sumAvg: 4.59 atom: 6203 54N-HD21 D2 7.487 ambi=2 { ND2:113.8 } atom: 355 50S-QB B 3.875 ambi=2 { CB:63.06 } :: atom: 6204 54N-HD22 D2 6.961 ambi=2 { ND2:113.8 } atom: 355 50S-QB B 3.875 ambi=2 { CB:63.06 } ::sumAvg: 4.08 atom: 379 53V-H N 8.303 ambi=1 { N:115.656 } atom: 359 51S-H N 7.901 ambi=1 { N:115.934 } ::sumAvg: 4.29 atom: 379 53V-H N 8.303 ambi=1 { N:115.656 } atom: 360 51S-HA A 4.114 ambi=1 { CA:62.475 } ::sumAvg: 4.725 atom: 366 52I-H N 7.987 ambi=1 { N:120.449 } atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } ::sumAvg: 2.955 atom: 366 52I-H N 7.987 ambi=1 { N:120.449 } atom: 381 53V-HB B 2.054 ambi=1 { CB:31.767 } ::sumAvg: 4.87 atom: 366 52I-H N 7.987 ambi=1 { N:120.449 } atom: 393 55S-H N 7.52 ambi=1 { N:114 } ::sumAvg: 4.565 atom: 379 53V-H N 8.303 ambi=1 { N:115.656 } atom: 369 52I-HG12 G1 0.737 ambi=2 { CG1:29.069 } :: atom: 379 53V-H N 8.303 ambi=1 { N:115.656 } atom: 370 52I-HG13 G1 1.685 ambi=2 { CG1:29.069 } ::sumAvg: 3.49 atom: 393 55S-H N 7.52 ambi=1 { N:114 } atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } ::sumAvg: 4.875 atom: 379 53V-H N 8.303 ambi=1 { N:115.656 } atom: 393 55S-H N 7.52 ambi=1 { N:114 } ::sumAvg: 3.85 atom: 400 56T-H N 8.246 ambi=1 { N:113.388 } atom: 388 54N-QB B 2.824 ambi=2 { CB:39.212 } ::sumAvg: 4.555 atom: 400 56T-H N 8.246 ambi=1 { N:113.388 } atom: 7608 57Y-QD D 6.963 ambi=3 { CD1:133 } ::sumAvg: 4.795 atom: 400 56T-H N 8.246 ambi=1 { N:113.388 } atom: 414 58Y-H N 7.667 ambi=1 { N:122.335 } ::sumAvg: 4.89 atom: 414 58Y-H N 7.667 ambi=1 { N:122.335 } atom: 400 56T-H N 8.246 ambi=1 { N:113.388 } ::sumAvg: 4.89 atom: 400 56T-H N 8.246 ambi=1 { N:113.388 } atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } ::sumAvg: 4.57 atom: 414 58Y-H N 7.667 ambi=1 { N:122.335 } atom: 401 56T-HA A 4.091 ambi=1 { CA:62.24 } ::sumAvg: 4.985 atom: 407 57Y-H N 7.847 ambi=1 { N:120.408 } atom: 7610 57Y-QE E 6.677 ambi=3 { CE1:118.1 } ::sumAvg: 4.665 atom: 407 57Y-H N 7.847 ambi=1 { N:120.408 } atom: 415 58Y-HA A 4.288 ambi=1 { CA:57.726 } ::sumAvg: 4.665 atom: 407 57Y-H N 7.847 ambi=1 { N:120.408 } atom: 417 58Y-QB B 2.6705 ambi=2 { CB:38.321 } ::sumAvg: 4.71 atom: 407 57Y-H N 7.847 ambi=1 { N:120.408 } atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } ::sumAvg: 4.505 atom: 414 58Y-H N 7.667 ambi=1 { N:122.335 } atom: 423 59A-HB B 1.016 ambi=1 { CB:19.158 } ::sumAvg: 4.815 atom: 427 60N-H N 7.622 ambi=1 { N:116.033 } atom: 415 58Y-HA A 4.288 ambi=1 { CA:57.726 } ::sumAvg: 4.94 atom: 427 60N-H N 7.622 ambi=1 { N:116.033 } atom: 417 58Y-QB B 2.6705 ambi=2 { CB:38.321 } ::sumAvg: 4.66 atom: 427 60N-H N 7.622 ambi=1 { N:116.033 } atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } ::sumAvg: 4.015 atom: 427 60N-H N 7.622 ambi=1 { N:116.033 } atom: 432 60N-HD22 D2 6.811 ambi=2 { ND2:111.8 } ::sumAvg: 4.775 atom: 432 60N-HD22 D2 6.811 ambi=2 { ND2:111.8 } atom: 427 60N-H N 7.622 ambi=1 { N:116.033 } ::sumAvg: 4.775 atom: 427 60N-H N 7.622 ambi=1 { N:116.033 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } ::sumAvg: 4.32 atom: 431 60N-HD21 D2 7.423 ambi=2 { ND2:111.8 } atom: 428 60N-HA A 4.542 ambi=1 { CA:52.958 } :: atom: 432 60N-HD22 D2 6.811 ambi=2 { ND2:111.8 } atom: 428 60N-HA A 4.542 ambi=1 { CA:52.958 } ::sumAvg: 4.345 atom: 454 63A-H N 9.045 ambi=1 { N:125.907 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } ::sumAvg: 4.675 atom: 447 62S-H N 8.64 ambi=1 { N:124.689 } atom: 454 63A-H N 9.045 ambi=1 { N:125.907 } ::sumAvg: 4.565 atom: 454 63A-H N 9.045 ambi=1 { N:125.907 } atom: 447 62S-H N 8.64 ambi=1 { N:124.689 } ::sumAvg: 4.565 atom: 447 62S-H N 8.64 ambi=1 { N:124.689 } atom: 1466 65K-HD2 D 1.12 ambi=2 { CD:27.38 } :: atom: 447 62S-H N 8.64 ambi=1 { N:124.689 } atom: 1467 65K-HD3 D 1.425 ambi=2 { CD:27.38 } ::sumAvg: 4.445 atom: 447 62S-H N 8.64 ambi=1 { N:124.689 } atom: 1468 65K-QE E 2.935 ambi=2 { CE:42.119 } ::sumAvg: 4.565 atom: 454 63A-H N 9.045 ambi=1 { N:125.907 } atom: 462 64A-HB B 1.404 ambi=1 { CB:17.949 } ::sumAvg: 4.365 atom: 466 65K-H N 7.92 ambi=1 { N:120.121 } atom: 454 63A-H N 9.045 ambi=1 { N:125.907 } ::sumAvg: 4.45 atom: 454 63A-H N 9.045 ambi=1 { N:125.907 } atom: 476 66C-H N 8.177 ambi=1 { N:118.973 } ::sumAvg: 4.92 atom: 476 66C-H N 8.177 ambi=1 { N:118.973 } atom: 454 63A-H N 9.045 ambi=1 { N:125.907 } ::sumAvg: 4.92 atom: 460 64A-H N 8.447 ambi=1 { N:119.531 } atom: 455 63A-HA A 4.167 ambi=1 { CA:55.96 } ::sumAvg: 3.52 atom: 483 67Q-H N 8.062 ambi=1 { N:118.729 } atom: 455 63A-HA A 4.167 ambi=1 { CA:55.96 } ::sumAvg: 3.495 atom: 466 65K-H N 7.92 ambi=1 { N:120.121 } atom: 456 63A-HB B 1.513 ambi=1 { CB:17.695 } ::sumAvg: 4.665 atom: 483 67Q-H N 8.062 ambi=1 { N:118.729 } atom: 456 63A-HB B 1.513 ambi=1 { CB:17.695 } ::sumAvg: 4.19 atom: 460 64A-H N 8.447 ambi=1 { N:119.531 } atom: 468 65K-HB2 B 1.677 ambi=2 { CB:30.726 } :: atom: 460 64A-H N 8.447 ambi=1 { N:119.531 } atom: 469 65K-HB3 B 2.081 ambi=2 { CB:30.726 } ::sumAvg: 4.785 atom: 460 64A-H N 8.447 ambi=1 { N:119.531 } atom: 478 66C-HB2 B 2.358 ambi=2 { CB:26.493 } :: atom: 460 64A-H N 8.447 ambi=1 { N:119.531 } atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } ::sumAvg: 4.985 atom: 476 66C-H N 8.177 ambi=1 { N:118.973 } atom: 461 64A-HA A 4.074 ambi=1 { CA:55.466 } ::sumAvg: 4.47 atom: 483 67Q-H N 8.062 ambi=1 { N:118.729 } atom: 462 64A-HB B 1.404 ambi=1 { CB:17.949 } ::sumAvg: 4.94 atom: 466 65K-H N 7.92 ambi=1 { N:120.121 } atom: 478 66C-HB2 B 2.358 ambi=2 { CB:26.493 } :: atom: 466 65K-H N 7.92 ambi=1 { N:120.121 } atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } ::sumAvg: 4.415 atom: 483 67Q-H N 8.062 ambi=1 { N:118.729 } atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } ::sumAvg: 4.75 atom: 476 66C-H N 8.177 ambi=1 { N:118.973 } atom: 506 69F-H N 8.636 ambi=1 { N:120.807 } ::sumAvg: 4.69 atom: 476 66C-H N 8.177 ambi=1 { N:118.973 } atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } :: atom: 476 66C-H N 8.177 ambi=1 { N:118.973 } atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } ::sumAvg: 4.9 atom: 513 70G-H N 8.181 ambi=1 { N:108.539 } atom: 477 66C-HA A 3.901 ambi=1 { CA:64.775 } ::sumAvg: 3.61 atom: 483 67Q-H N 8.062 ambi=1 { N:118.729 } atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } ::sumAvg: 4.52 atom: 506 69F-H N 8.636 ambi=1 { N:120.807 } atom: 484 67Q-HA A 4.034 ambi=1 { CA:58.643 } ::sumAvg: 4.87 atom: 496 68E-H N 8.234 ambi=1 { N:121.128 } atom: 485 67Q-HB2 B 2.046 ambi=2 { CB:27.602 } :: atom: 496 68E-H N 8.234 ambi=1 { N:121.128 } atom: 486 67Q-HB3 B 2.181 ambi=2 { CB:27.602 } ::sumAvg: 2.495 atom: 496 68E-H N 8.234 ambi=1 { N:121.128 } atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } :: atom: 496 68E-H N 8.234 ambi=1 { N:121.128 } atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } ::sumAvg: 4.895 atom: 496 68E-H N 8.234 ambi=1 { N:121.128 } atom: 518 71R-H N 7.804 ambi=1 { N:120.908 } ::sumAvg: 4.735 atom: 513 70G-H N 8.181 ambi=1 { N:108.539 } atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } ::sumAvg: 4.65 atom: 518 71R-H N 7.804 ambi=1 { N:120.908 } atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } ::sumAvg: 4.855 atom: 529 72W-H N 7.731 ambi=1 { N:121.281 } atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } ::sumAvg: 4.865 atom: 529 72W-H N 7.731 ambi=1 { N:121.281 } atom: 506 69F-H N 8.636 ambi=1 { N:120.807 } ::sumAvg: 4.795 atom: 506 69F-H N 8.636 ambi=1 { N:120.807 } atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } ::sumAvg: 4.88 atom: 513 70G-H N 8.181 ambi=1 { N:108.539 } atom: 529 72W-H N 7.731 ambi=1 { N:121.281 } ::sumAvg: 4.26 atom: 529 72W-H N 7.731 ambi=1 { N:121.281 } atom: 513 70G-H N 8.181 ambi=1 { N:108.539 } ::sumAvg: 4.26 atom: 513 70G-H N 8.181 ambi=1 { N:108.539 } atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } ::sumAvg: 4.86 atom: 513 70G-H N 8.181 ambi=1 { N:108.539 } atom: 536 73Y-H N 9.004 ambi=1 { N:121.394 } ::sumAvg: 4.585 atom: 536 73Y-H N 9.004 ambi=1 { N:121.394 } atom: 513 70G-H N 8.181 ambi=1 { N:108.539 } ::sumAvg: 4.585 atom: 536 73Y-H N 9.004 ambi=1 { N:121.394 } atom: 518 71R-H N 7.804 ambi=1 { N:120.908 } ::sumAvg: 4.125 atom: 550 75H-H N 6.996 ambi=1 { N:116.154 } atom: 519 71R-HA A 3.84 ambi=1 { CA:60.134 } ::sumAvg: 4.615 atom: 529 72W-H N 7.731 ambi=1 { N:121.281 } atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } :: atom: 529 72W-H N 7.731 ambi=1 { N:121.281 } atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } ::sumAvg: 4.88 atom: 543 74K-H N 7.718 ambi=1 { N:116.614 } atom: 530 72W-HA A 4.047 ambi=1 { CA:61.51 } ::sumAvg: 4.595 atom: 9930 72W-HE1 E1 10.26 ambi=1 { NE1:132.19 } atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } ::sumAvg: 4.45 atom: 543 74K-H N 7.718 ambi=1 { N:116.614 } atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } ::sumAvg: 4.855 atom: 9930 72W-HE1 E1 10.26 ambi=1 { NE1:132.19 } atom: 9937 72W-HH2 H2 6.247 ambi=1 { CH2:123.1 } ::sumAvg: 4.98 atom: 536 73Y-H N 9.004 ambi=1 { N:121.394 } atom: 557 76F-H N 8.145 ambi=1 { N:123.096 } ::sumAvg: 4.63 atom: 557 76F-H N 8.145 ambi=1 { N:123.096 } atom: 536 73Y-H N 9.004 ambi=1 { N:121.394 } ::sumAvg: 4.63 atom: 564 77K-H N 7.894 ambi=1 { N:118.8 } atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } ::sumAvg: 4.56 atom: 543 74K-H N 7.718 ambi=1 { N:116.614 } atom: 1545 74K-QD D 1.672 ambi=2 { CD:29.87 } ::sumAvg: 4.19 atom: 557 76F-H N 8.145 ambi=1 { N:123.096 } atom: 543 74K-H N 7.718 ambi=1 { N:116.614 } ::sumAvg: 4.065 atom: 574 78K-H N 7.362 ambi=1 { N:119.919 } atom: 544 74K-HA A 3.733 ambi=1 { CA:59.12 } ::sumAvg: 4.52 atom: 564 77K-H N 7.894 ambi=1 { N:118.8 } atom: 551 75H-HA A 4.226 ambi=1 { CA:58.42 } ::sumAvg: 4.555 atom: 557 76F-H N 8.145 ambi=1 { N:123.096 } atom: 566 77K-HB2 B 1.276 ambi=2 { CB:31.323 } :: atom: 557 76F-H N 8.145 ambi=1 { N:123.096 } atom: 567 77K-HB3 B 1.423 ambi=2 { CB:31.323 } ::sumAvg: 4.975 atom: 574 78K-H N 7.362 ambi=1 { N:119.919 } atom: 558 76F-HA A 3.735 ambi=1 { CA:60.07 } ::sumAvg: 4.59 atom: 574 78K-H N 7.362 ambi=1 { N:119.919 } atom: 3566 77K-QD D 1.396 ambi=2 { CD:28.08 } ::sumAvg: 4.93 atom: 574 78K-H N 7.362 ambi=1 { N:119.919 } atom: 580 78K-QD D 1.5585 ambi=2 { CD:29.108 } ::sumAvg: 4.465 atom: 574 78K-H N 7.362 ambi=1 { N:119.919 } atom: 591 79T-HG2 G2 1.014 ambi=2 { CG2:21.581 } ::sumAvg: 4.855 atom: 596 80K-H N 7.88 ambi=1 { N:122.246 } atom: 575 78K-HA A 3.991 ambi=1 { CA:57.769 } ::sumAvg: 4.77 atom: 596 80K-H N 7.88 ambi=1 { N:122.246 } atom: 576 78K-QB B 1.699 ambi=2 { CB:32.172 } ::sumAvg: 4.56 atom: 596 80K-H N 7.88 ambi=1 { N:122.246 } atom: 578 78K-HG2 G 1.32 ambi=2 { CG:24.705 } :: atom: 596 80K-H N 7.88 ambi=1 { N:122.246 } atom: 579 78K-HG3 G 1.267 ambi=2 { CG:24.705 } ::sumAvg: 4.815 atom: 588 79T-H N 7.678 ambi=1 { N:113.086 } atom: 580 78K-QD D 1.5585 ambi=2 { CD:29.108 } ::sumAvg: 4.785 atom: 611 81D-H N 8.019 ambi=1 { N:119.761 } atom: 591 79T-HG2 G2 1.014 ambi=2 { CG2:21.581 } ::sumAvg: 4.56 atom: 618 82M-H N 7.893 ambi=1 { N:119.386 } atom: 598 80K-HB2 B 1.618 ambi=2 { CB:32.419 } :: atom: 618 82M-H N 7.893 ambi=1 { N:119.386 } atom: 599 80K-HB3 B 1.501 ambi=2 { CB:32.419 } ::sumAvg: 4.49 atom: 618 82M-H N 7.893 ambi=1 { N:119.386 } atom: 600 80K-QG G 1.175 ambi=2 { CG:24.137 } ::sumAvg: 4.645 atom: 618 82M-H N 7.893 ambi=1 { N:119.386 } atom: 5621 82M-HE E 2.015 ambi=1 { CE:16.69 } ::sumAvg: 4.285 atom: 618 82M-H N 7.893 ambi=1 { N:119.386 } atom: 4623 83M-HA A 4.19 ambi=1 { CA:57.46 } ::sumAvg: 4.995 # Missing interactons for c_aro.peaks atom: 9948 17W-HZ2 Z2 7.464 ambi=1 { CZ2:114.6 } atom: 8886 12L-HA A 4.13 ambi=1 { CA:61.053 } ::sumAvg: 4.745 atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } atom: 8886 12L-HA A 4.13 ambi=1 { CA:61.053 } ::sumAvg: 4.515 atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } atom: 8886 12L-HA A 4.13 ambi=1 { CA:61.053 } ::sumAvg: 3.41 atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } atom: 6 12L-H N 7.993 ambi=1 { N:122.279 } ::sumAvg: 4.885 atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } atom: 8887 12L-QB B 1.788 ambi=2 { CB:38.62 } ::sumAvg: 4.05 atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } atom: 8889 12L-HG G 1.12 ambi=1 { CG:27.31 } ::sumAvg: 4.245 atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } atom: 8890 12L-HD1 D1 0.97 ambi=2 { CD1:17.65 } :: atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } atom: 8891 12L-HD2 D2 0.737 ambi=2 {attached_atom is not_assigned} ::sumAvg: 3.02 atom: 9948 17W-HZ2 Z2 7.464 ambi=1 { CZ2:114.6 } atom: 17 14P-HA A 4.129 ambi=1 { CA:64.68 } ::sumAvg: 4.415 atom: 9951 17W-HD1 D1 7.498 ambi=1 { CD1:127.37 } atom: 18 14P-HB2 B 1.799 ambi=2 { CB:32.257 } :: atom: 9951 17W-HD1 D1 7.498 ambi=1 { CD1:127.37 } atom: 19 14P-HB3 B 2.218 ambi=2 { CB:32.257 } ::sumAvg: 4.69 atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } atom: 22 14P-HD2 D 3.634 ambi=2 { CD:50.652 } :: atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } atom: 23 14P-HD3 D 3.829 ambi=2 { CD:50.652 } ::sumAvg: 4.965 atom: 9951 17W-HD1 D1 7.498 ambi=1 { CD1:127.37 } atom: 28 15E-H N 8.997 ambi=1 { N:116.877 } ::sumAvg: 4.335 atom: 9951 17W-HD1 D1 7.498 ambi=1 { CD1:127.37 } atom: 37 16Q-H N 8.364 ambi=1 { N:119.163 } ::sumAvg: 4.16 atom: 9951 17W-HD1 D1 7.498 ambi=1 { CD1:127.37 } atom: 38 16Q-HA A 4.417 ambi=1 { CA:55.521 } ::sumAvg: 4.445 atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } atom: 85 22V-HB B 2.055 ambi=1 { CB:31.34 } ::sumAvg: 4.195 atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 85 22V-HB B 2.055 ambi=1 { CB:31.34 } ::sumAvg: 4.495 atom: 7500 69F-HZ Z 7.072 ambi=2 { CZ:129 } atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } :: atom: 7500 69F-HZ Z 7.072 ambi=2 { CZ:129 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } ::sumAvg: 3.78 atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } :: atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } ::sumAvg: 3.015 atom: 9942 17W-HE3 E3 7.46 ambi=1 { CE3:120 } atom: 48 17W-HA A 4.216 ambi=1 { CA:59.496 } ::sumAvg: 3.71 atom: 9951 17W-HD1 D1 7.498 ambi=1 { CD1:127.37 } atom: 48 17W-HA A 4.216 ambi=1 { CA:59.496 } ::sumAvg: 3.305 atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } atom: 49 17W-HB2 B 2.919 ambi=2 { CB:29.005 } :: atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } atom: 50 17W-HB3 B 3.059 ambi=2 { CB:29.005 } ::sumAvg: 4.87 atom: 9942 17W-HE3 E3 7.46 ambi=1 { CE3:120 } atom: 85 22V-HB B 2.055 ambi=1 { CB:31.34 } ::sumAvg: 4.165 atom: 9942 17W-HE3 E3 7.46 ambi=1 { CE3:120 } atom: 54 18S-H N 8.359 ambi=1 { N:117.131 } ::sumAvg: 4.435 atom: 9942 17W-HE3 E3 7.46 ambi=1 { CE3:120 } atom: 3377 21T-HB B 3.748 ambi=1 { CB:68.66 } ::sumAvg: 3.565 atom: 9942 17W-HE3 E3 7.46 ambi=1 { CE3:120 } atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } ::sumAvg: 3.82 atom: 9942 17W-HE3 E3 7.46 ambi=1 { CE3:120 } atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } ::sumAvg: 3.805 atom: 9942 17W-HE3 E3 7.46 ambi=1 { CE3:120 } atom: 477 66C-HA A 3.901 ambi=1 { CA:64.775 } ::sumAvg: 4.955 atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } atom: 9942 17W-HE3 E3 7.46 ambi=1 { CE3:120 } ::sumAvg: 3.535 atom: 9942 17W-HE3 E3 7.46 ambi=1 { CE3:120 } atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } ::sumAvg: 4.43 atom: 9944 17W-HZ3 Z3 6.847 ambi=1 { CZ3:121.06 } atom: 85 22V-HB B 2.055 ambi=1 { CB:31.34 } ::sumAvg: 4.92 atom: 9944 17W-HZ3 Z3 6.847 ambi=1 { CZ3:121.06 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } ::sumAvg: 3.735 atom: 9944 17W-HZ3 Z3 6.847 ambi=1 { CZ3:121.06 } atom: 3377 21T-HB B 3.748 ambi=1 { CB:68.66 } ::sumAvg: 4.915 atom: 9944 17W-HZ3 Z3 6.847 ambi=1 { CZ3:121.06 } atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } ::sumAvg: 4.98 atom: 9944 17W-HZ3 Z3 6.847 ambi=1 { CZ3:121.06 } atom: 109 25A-H N 7.842 ambi=1 { N:123.506 } ::sumAvg: 4.58 atom: 9944 17W-HZ3 Z3 6.847 ambi=1 { CZ3:121.06 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 4.48 atom: 9944 17W-HZ3 Z3 6.847 ambi=1 { CZ3:121.06 } atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } ::sumAvg: 4.495 atom: 9944 17W-HZ3 Z3 6.847 ambi=1 { CZ3:121.06 } atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } :: atom: 9944 17W-HZ3 Z3 6.847 ambi=1 { CZ3:121.06 } atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } ::sumAvg: 4.655 atom: 9942 17W-HE3 E3 7.46 ambi=1 { CE3:120 } atom: 9946 17W-HH2 H2 6.598 ambi=1 { CH2:123.7 } ::sumAvg: 4.26 atom: 9946 17W-HH2 H2 6.598 ambi=1 { CH2:123.7 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } ::sumAvg: 4.895 atom: 9946 17W-HH2 H2 6.598 ambi=1 { CH2:123.7 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 4.37 atom: 9946 17W-HH2 H2 6.598 ambi=1 { CH2:123.7 } atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } ::sumAvg: 4.61 atom: 9946 17W-HH2 H2 6.598 ambi=1 { CH2:123.7 } atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } :: atom: 9946 17W-HH2 H2 6.598 ambi=1 { CH2:123.7 } atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } ::sumAvg: 3.89 atom: 9948 17W-HZ2 Z2 7.464 ambi=1 { CZ2:114.6 } atom: 9944 17W-HZ3 Z3 6.847 ambi=1 { CZ3:121.06 } ::sumAvg: 4.295 atom: 9948 17W-HZ2 Z2 7.464 ambi=1 { CZ2:114.6 } atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } ::sumAvg: 4.855 atom: 9948 17W-HZ2 Z2 7.464 ambi=1 { CZ2:114.6 } atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } :: atom: 9948 17W-HZ2 Z2 7.464 ambi=1 { CZ2:114.6 } atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } ::sumAvg: 4.645 atom: 9948 17W-HZ2 Z2 7.464 ambi=1 { CZ2:114.6 } atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } ::sumAvg: 3.69 atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } atom: 9948 17W-HZ2 Z2 7.464 ambi=1 { CZ2:114.6 } ::sumAvg: 3.69 atom: 9951 17W-HD1 D1 7.498 ambi=1 { CD1:127.37 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } ::sumAvg: 4.755 atom: 9946 17W-HH2 H2 6.598 ambi=1 { CH2:123.7 } atom: 9954 17W-HE1 E1 10.08 ambi=1 { NE1:129.7 } ::sumAvg: 4.975 atom: 7767 19H-HD2 D2 6.701 ambi=1 { CD2:118.2 } atom: 56 18S-HB2 B 4.272 ambi=2 { CB:66.818 } :: atom: 7767 19H-HD2 D2 6.701 ambi=1 { CD2:118.2 } atom: 57 18S-HB3 B 3.852 ambi=2 { CB:66.818 } ::sumAvg: 4.845 atom: 7767 19H-HD2 D2 6.701 ambi=1 { CD2:118.2 } atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } ::sumAvg: 3.835 atom: 7767 19H-HD2 D2 6.701 ambi=1 { CD2:118.2 } atom: 62 19H-HA A 3.948 ambi=1 { CA:61.37 } ::sumAvg: 3.61 atom: 7767 19H-HD2 D2 6.701 ambi=1 { CD2:118.2 } atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } ::sumAvg: 4.64 atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } atom: 84 22V-HA A 3.499 ambi=1 { CA:66.994 } ::sumAvg: 3.83 atom: 7500 69F-HZ Z 7.072 ambi=2 { CZ:129 } atom: 84 22V-HA A 3.499 ambi=1 { CA:66.994 } ::sumAvg: 4.72 atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 84 22V-HA A 3.499 ambi=1 { CA:66.994 } ::sumAvg: 2.905 atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 109 25A-H N 7.842 ambi=1 { N:123.506 } ::sumAvg: 4.765 atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 110 25A-HA A 4.242 ambi=1 { CA:55.312 } ::sumAvg: 4.905 atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } ::sumAvg: 3.96 atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } ::sumAvg: 4.89 atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } ::sumAvg: 3.83 atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } ::sumAvg: 3.635 atom: 7500 69F-HZ Z 7.072 ambi=2 { CZ:129 } atom: 115 26L-H N 8.691 ambi=1 { N:117.957 } ::sumAvg: 3.685 atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 115 26L-H N 8.691 ambi=1 { N:117.957 } ::sumAvg: 4.27 atom: 7500 69F-HZ Z 7.072 ambi=2 { CZ:129 } atom: 116 26L-HA A 4.044 ambi=1 { CA:58.307 } ::sumAvg: 3.5 atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 116 26L-HA A 4.044 ambi=1 { CA:58.307 } ::sumAvg: 4.33 atom: 7500 69F-HZ Z 7.072 ambi=2 { CZ:129 } atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } :: atom: 7500 69F-HZ Z 7.072 ambi=2 { CZ:129 } atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } ::sumAvg: 4.065 atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } :: atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } ::sumAvg: 4.55 atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 118 26L-HG G 1.336 ambi=1 { CG:27.13 } ::sumAvg: 4.24 atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } :: atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } ::sumAvg: 3.565 atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } :: atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } ::sumAvg: 4.83 atom: 9937 72W-HH2 H2 6.247 ambi=1 { CH2:123.1 } atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } :: atom: 9937 72W-HH2 H2 6.247 ambi=1 { CH2:123.1 } atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } ::sumAvg: 4.065 atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } :: atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } ::sumAvg: 4.545 atom: 7500 69F-HZ Z 7.072 ambi=2 { CZ:129 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 2.125 atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 2.665 atom: 9934 72W-HZ2 Z2 6.345 ambi=1 { CZ2:114.3 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 4.305 atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 2.035 atom: 9941 72W-HE3 E3 6.56 ambi=1 { CE3:119.5 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 3.61 atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 2.785 atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 3.105 atom: 7500 69F-HZ Z 7.072 ambi=2 { CZ:129 } atom: 1147 29L-HG G 2.317 ambi=1 { CG:27.33 } ::sumAvg: 4.355 atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } atom: 1147 29L-HG G 2.317 ambi=1 { CG:27.33 } ::sumAvg: 4.665 atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } atom: 1147 29L-HG G 2.317 ambi=1 { CG:27.33 } ::sumAvg: 3.63 atom: 9934 72W-HZ2 Z2 6.345 ambi=1 { CZ2:114.3 } atom: 8198 33M-HE E 2.116 ambi=1 { CE:16.71 } ::sumAvg: 4.19 atom: 9937 72W-HH2 H2 6.247 ambi=1 { CH2:123.1 } atom: 8198 33M-HE E 2.116 ambi=1 { CE:16.71 } ::sumAvg: 4.23 atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } atom: 8198 33M-HE E 2.116 ambi=1 { CE:16.71 } ::sumAvg: 4.995 atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } atom: 8198 33M-HE E 2.116 ambi=1 { CE:16.71 } ::sumAvg: 3.47 atom: 9934 72W-HZ2 Z2 6.345 ambi=1 { CZ2:114.3 } atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } ::sumAvg: 4.475 atom: 7500 69F-HZ Z 7.072 ambi=2 { CZ:129 } atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } :: atom: 7500 69F-HZ Z 7.072 ambi=2 { CZ:129 } atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } ::sumAvg: 4.885 atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } :: atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } ::sumAvg: 3.97 atom: 9934 72W-HZ2 Z2 6.345 ambi=1 { CZ2:114.3 } atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } :: atom: 9934 72W-HZ2 Z2 6.345 ambi=1 { CZ2:114.3 } atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } ::sumAvg: 3.575 atom: 9941 72W-HE3 E3 6.56 ambi=1 { CE3:119.5 } atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } :: atom: 9941 72W-HE3 E3 6.56 ambi=1 { CE3:119.5 } atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } ::sumAvg: 4.865 atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } :: atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } ::sumAvg: 4.545 atom: 9932 72W-HD1 D1 7.281 ambi=1 { CD1:127.48 } atom: 267 41E-HB2 B 1.819 ambi=2 { CB:31.868 } :: atom: 9932 72W-HD1 D1 7.281 ambi=1 { CD1:127.48 } atom: 268 41E-HB3 B 2.205 ambi=2 { CB:31.868 } ::sumAvg: 4.46 atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } atom: 267 41E-HB2 B 1.819 ambi=2 { CB:31.868 } :: atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } atom: 268 41E-HB3 B 2.205 ambi=2 { CB:31.868 } ::sumAvg: 4.875 atom: 9934 72W-HZ2 Z2 6.345 ambi=1 { CZ2:114.3 } atom: 269 41E-HG2 G 2.385 ambi=2 { CG:35.748 } :: atom: 9934 72W-HZ2 Z2 6.345 ambi=1 { CZ2:114.3 } atom: 270 41E-HG3 G 2.312 ambi=2 { CG:35.748 } ::sumAvg: 3.92 atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } atom: 269 41E-HG2 G 2.385 ambi=2 { CG:35.748 } :: atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } atom: 270 41E-HG3 G 2.312 ambi=2 { CG:35.748 } ::sumAvg: 4.84 atom: 9934 72W-HZ2 Z2 6.345 ambi=1 { CZ2:114.3 } atom: 275 42C-H N 7.629 ambi=1 { N:117.545 } ::sumAvg: 4.98 atom: 9934 72W-HZ2 Z2 6.345 ambi=1 { CZ2:114.3 } atom: 1271 42C-QB B 1.563 ambi=2 { CB:27.562 } ::sumAvg: 4.69 atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } atom: 1271 42C-QB B 1.563 ambi=2 { CB:27.562 } ::sumAvg: 4.515 atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } atom: 290 44L-H N 7.438 ambi=1 { N:118.932 } ::sumAvg: 4.555 atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } atom: 292 44L-HB2 B 1.249 ambi=2 { CB:43.638 } :: atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } atom: 293 44L-HB3 B 1.449 ambi=2 { CB:43.638 } ::sumAvg: 4.445 atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 346 49I-HD1 D1 0.537 ambi=2 { CD1:13.6 } ::sumAvg: 4.925 atom: 7606 58Y-QE E 6.694 ambi=3 { CE1:118.2 } atom: 367 52I-HA A 3.652 ambi=1 { CA:64.84 } ::sumAvg: 4.805 atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } ::sumAvg: 4.81 atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } atom: 394 55S-HA A 4.507 ambi=1 { CA:58.103 } ::sumAvg: 4.67 atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } atom: 395 55S-QB B 3.919 ambi=2 { CB:63.9 } ::sumAvg: 4.915 atom: 7608 57Y-QD D 6.963 ambi=3 { CD1:133 } atom: 400 56T-H N 8.246 ambi=1 { N:113.388 } ::sumAvg: 4.795 atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } atom: 400 56T-H N 8.246 ambi=1 { N:113.388 } ::sumAvg: 4.57 atom: 7608 57Y-QD D 6.963 ambi=3 { CD1:133 } atom: 401 56T-HA A 4.091 ambi=1 { CA:62.24 } ::sumAvg: 4.765 atom: 7608 57Y-QD D 6.963 ambi=3 { CD1:133 } atom: 402 56T-HB B 4.076 ambi=1 { CB:68.925 } ::sumAvg: 3.695 atom: 7610 57Y-QE E 6.677 ambi=3 { CE1:118.1 } atom: 402 56T-HB B 4.076 ambi=1 { CB:68.925 } ::sumAvg: 4.41 atom: 7608 57Y-QD D 6.963 ambi=3 { CD1:133 } atom: 6402 56T-HG2 G2 1.018 ambi=1 { CG2:21.633 } ::sumAvg: 3.78 atom: 7610 57Y-QE E 6.677 ambi=3 { CE1:118.1 } atom: 407 57Y-H N 7.847 ambi=1 { N:120.408 } ::sumAvg: 4.665 atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } atom: 407 57Y-H N 7.847 ambi=1 { N:120.408 } ::sumAvg: 4.505 atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } atom: 408 57Y-HA A 4.385 ambi=1 { CA:57.924 } ::sumAvg: 4.99 atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } atom: 409 57Y-HB2 B 2.769 ambi=2 { CB:38.781 } :: atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } atom: 410 57Y-HB3 B 2.889 ambi=2 { CB:38.781 } ::sumAvg: 4.885 atom: 7608 57Y-QD D 6.963 ambi=3 { CD1:133 } atom: 414 58Y-H N 7.667 ambi=1 { N:122.335 } ::sumAvg: 4.305 atom: 7608 57Y-QD D 6.963 ambi=3 { CD1:133 } atom: 415 58Y-HA A 4.288 ambi=1 { CA:57.726 } ::sumAvg: 4.895 atom: 7606 58Y-QE E 6.694 ambi=3 { CE1:118.2 } atom: 417 58Y-QB B 2.6705 ambi=2 { CB:38.321 } ::sumAvg: 3.95 atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } atom: 421 59A-H N 7.258 ambi=1 { N:124.239 } ::sumAvg: 3.825 atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } atom: 422 59A-HA A 3.929 ambi=1 { CA:52.466 } ::sumAvg: 4.86 atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } atom: 423 59A-HB B 1.016 ambi=1 { CB:19.158 } ::sumAvg: 4.96 atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } atom: 429 60N-HB2 B 2.555 ambi=2 { CB:37.837 } :: atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } atom: 430 60N-HB3 B 2.732 ambi=2 { CB:37.837 } ::sumAvg: 4.9 atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } atom: 477 66C-HA A 3.901 ambi=1 { CA:64.775 } ::sumAvg: 4.135 atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } atom: 506 69F-H N 8.636 ambi=1 { N:120.807 } ::sumAvg: 4.18 atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } ::sumAvg: 2.665 atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } ::sumAvg: 4.63 atom: 9941 72W-HE3 E3 6.56 ambi=1 { CE3:119.5 } atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } ::sumAvg: 3.835 atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } :: atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } ::sumAvg: 2.29 atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } :: atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } ::sumAvg: 4.365 atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } atom: 513 70G-H N 8.181 ambi=1 { N:108.539 } ::sumAvg: 3.4 atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } ::sumAvg: 3.845 atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } atom: 536 73Y-H N 9.004 ambi=1 { N:121.394 } ::sumAvg: 4.735 atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } :: atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } ::sumAvg: 3.93 atom: 7500 69F-HZ Z 7.072 ambi=2 { CZ:129 } atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } :: atom: 7500 69F-HZ Z 7.072 ambi=2 { CZ:129 } atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } ::sumAvg: 4.37 atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } ::sumAvg: 4.575 atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } ::sumAvg: 4.975 atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } :: atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } ::sumAvg: 3.73 atom: 9932 72W-HD1 D1 7.281 ambi=1 { CD1:127.48 } atom: 529 72W-H N 7.731 ambi=1 { N:121.281 } ::sumAvg: 4.935 atom: 9941 72W-HE3 E3 6.56 ambi=1 { CE3:119.5 } atom: 529 72W-H N 7.731 ambi=1 { N:121.281 } ::sumAvg: 4.605 atom: 9941 72W-HE3 E3 6.56 ambi=1 { CE3:119.5 } atom: 530 72W-HA A 4.047 ambi=1 { CA:61.51 } ::sumAvg: 4.69 atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } ::sumAvg: 4.72 atom: 9937 72W-HH2 H2 6.247 ambi=1 { CH2:123.1 } atom: 9930 72W-HE1 E1 10.26 ambi=1 { NE1:132.19 } ::sumAvg: 4.98 atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } atom: 9930 72W-HE1 E1 10.26 ambi=1 { NE1:132.19 } ::sumAvg: 4.285 atom: 9932 72W-HD1 D1 7.281 ambi=1 { CD1:127.48 } atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } :: atom: 9932 72W-HD1 D1 7.281 ambi=1 { CD1:127.48 } atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } ::sumAvg: 4.87 atom: 9934 72W-HZ2 Z2 6.345 ambi=1 { CZ2:114.3 } atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } ::sumAvg: 3.25 atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } atom: 9934 72W-HZ2 Z2 6.345 ambi=1 { CZ2:114.3 } ::sumAvg: 3.25 atom: 9934 72W-HZ2 Z2 6.345 ambi=1 { CZ2:114.3 } atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } ::sumAvg: 4.095 atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } atom: 9934 72W-HZ2 Z2 6.345 ambi=1 { CZ2:114.3 } ::sumAvg: 4.095 atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } atom: 9937 72W-HH2 H2 6.247 ambi=1 { CH2:123.1 } ::sumAvg: 4.605 atom: 9937 72W-HH2 H2 6.247 ambi=1 { CH2:123.1 } atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } :: atom: 9937 72W-HH2 H2 6.247 ambi=1 { CH2:123.1 } atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } ::sumAvg: 4.245 atom: 9937 72W-HH2 H2 6.247 ambi=1 { CH2:123.1 } atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } ::sumAvg: 3.655 atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } atom: 9937 72W-HH2 H2 6.247 ambi=1 { CH2:123.1 } ::sumAvg: 3.655 atom: 9937 72W-HH2 H2 6.247 ambi=1 { CH2:123.1 } atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } ::sumAvg: 3.77 atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } atom: 9937 72W-HH2 H2 6.247 ambi=1 { CH2:123.1 } ::sumAvg: 3.77 atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } atom: 536 73Y-H N 9.004 ambi=1 { N:121.394 } ::sumAvg: 4.93 atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } atom: 537 73Y-HA A 2.84 ambi=1 { CA:61.352 } ::sumAvg: 3.6 atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } :: atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } ::sumAvg: 3.75 atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } ::sumAvg: 4.175 atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } ::sumAvg: 4.175 atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } :: atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } ::sumAvg: 4.12 atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } ::sumAvg: 4.915 atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } ::sumAvg: 4.915 atom: 9941 72W-HE3 E3 6.56 ambi=1 { CE3:119.5 } atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } :: atom: 9941 72W-HE3 E3 6.56 ambi=1 { CE3:119.5 } atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } ::sumAvg: 4.125 atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } atom: 537 73Y-HA A 2.84 ambi=1 { CA:61.352 } ::sumAvg: 4.61 atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } :: atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } ::sumAvg: 4.425 atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } atom: 543 74K-H N 7.718 ambi=1 { N:116.614 } ::sumAvg: 3.685 atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } atom: 544 74K-HA A 3.733 ambi=1 { CA:59.12 } ::sumAvg: 3.625 atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } atom: 545 74K-HB2 B 1.739 ambi=2 { CB:32.132 } :: atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } atom: 546 74K-HB3 B 1.849 ambi=2 { CB:32.132 } ::sumAvg: 4.585 atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } atom: 564 77K-H N 7.894 ambi=1 { N:118.8 } ::sumAvg: 4.56 atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } atom: 566 77K-HB2 B 1.276 ambi=2 { CB:31.323 } :: atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } atom: 567 77K-HB3 B 1.423 ambi=2 { CB:31.323 } ::sumAvg: 4.37 atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } atom: 566 77K-HB2 B 1.276 ambi=2 { CB:31.323 } :: atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } atom: 567 77K-HB3 B 1.423 ambi=2 { CB:31.323 } ::sumAvg: 4.215 atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } atom: 3562 77K-QG G 0.91 ambi=2 { CG:23.83 } ::sumAvg: 4.22 atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } atom: 3564 77K-HE2 E 2.76 ambi=2 { CE:41.73 } :: atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } atom: 3565 77K-HE3 E 2.874 ambi=2 { CE:41.73 } ::sumAvg: 4.425 atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } atom: 3566 77K-QD D 1.396 ambi=2 { CD:28.08 } ::sumAvg: 3.895 atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } atom: 557 76F-H N 8.145 ambi=1 { N:123.096 } ::sumAvg: 4.165 atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } atom: 558 76F-HA A 3.735 ambi=1 { CA:60.07 } ::sumAvg: 4.635 atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } :: atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } ::sumAvg: 4.36 atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } ::sumAvg: 2.19 atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } atom: 564 77K-H N 7.894 ambi=1 { N:118.8 } ::sumAvg: 3.065 atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } atom: 565 77K-HA A 3.609 ambi=1 { CA:56.14 } ::sumAvg: 3.795 atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } atom: 566 77K-HB2 B 1.276 ambi=2 { CB:31.323 } :: atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } atom: 567 77K-HB3 B 1.423 ambi=2 { CB:31.323 } ::sumAvg: 3.8 atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } atom: 3562 77K-QG G 0.91 ambi=2 { CG:23.83 } ::sumAvg: 3.59 atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } atom: 3566 77K-QD D 1.396 ambi=2 { CD:28.08 } ::sumAvg: 4.385 atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } atom: 565 77K-HA A 3.609 ambi=1 { CA:56.14 } ::sumAvg: 4.74 atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } atom: 3562 77K-QG G 0.91 ambi=2 { CG:23.83 } ::sumAvg: 4.65 # Missing interactons for c_ali.peaks atom: 1 11M-HA A 4.611 ambi=1 { CA:56.308 } atom: 8886 12L-HA A 4.13 ambi=1 { CA:61.053 } ::sumAvg: 4.755 atom: 8886 12L-HA A 4.13 ambi=1 { CA:61.053 } atom: 1 11M-HA A 4.611 ambi=1 { CA:56.308 } ::sumAvg: 4.755 atom: 1 11M-HA A 4.611 ambi=1 { CA:56.308 } atom: 6 12L-H N 7.993 ambi=1 { N:122.279 } ::sumAvg: 3.38 atom: 1 11M-HA A 4.611 ambi=1 { CA:56.308 } atom: 11 13P-HD2 D 3.538 ambi=2 { CD:50.672 } :: atom: 1 11M-HA A 4.611 ambi=1 { CA:56.308 } atom: 12 13P-HD3 D 3.891 ambi=2 { CD:50.672 } ::sumAvg: 3.94 atom: 11 13P-HD2 D 3.538 ambi=2 { CD:50.672 } atom: 1 11M-HA A 4.611 ambi=1 { CA:56.308 } :: atom: 12 13P-HD3 D 3.891 ambi=2 { CD:50.672 } atom: 1 11M-HA A 4.611 ambi=1 { CA:56.308 } ::sumAvg: 3.94 atom: 1 11M-HA A 4.611 ambi=1 { CA:56.308 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } ::sumAvg: 4.375 atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 1 11M-HA A 4.611 ambi=1 { CA:56.308 } ::sumAvg: 4.375 atom: 2 11M-QB B 3.072 ambi=2 { CB:30.305 } atom: 8886 12L-HA A 4.13 ambi=1 { CA:61.053 } ::sumAvg: 3.93 atom: 8886 12L-HA A 4.13 ambi=1 { CA:61.053 } atom: 2 11M-QB B 3.072 ambi=2 { CB:30.305 } ::sumAvg: 3.93 atom: 2 11M-QB B 3.072 ambi=2 { CB:30.305 } atom: 6 12L-H N 7.993 ambi=1 { N:122.279 } ::sumAvg: 2.96 atom: 2 11M-QB B 3.072 ambi=2 { CB:30.305 } atom: 8887 12L-QB B 1.788 ambi=2 { CB:38.62 } ::sumAvg: 4.33 atom: 8887 12L-QB B 1.788 ambi=2 { CB:38.62 } atom: 2 11M-QB B 3.072 ambi=2 { CB:30.305 } ::sumAvg: 4.33 atom: 2 11M-QB B 3.072 ambi=2 { CB:30.305 } atom: 8889 12L-HG G 1.12 ambi=1 { CG:27.31 } ::sumAvg: 4.805 atom: 8889 12L-HG G 1.12 ambi=1 { CG:27.31 } atom: 2 11M-QB B 3.072 ambi=2 { CB:30.305 } ::sumAvg: 4.805 atom: 2 11M-QB B 3.072 ambi=2 { CB:30.305 } atom: 8890 12L-HD1 D1 0.97 ambi=2 { CD1:17.65 } :: atom: 2 11M-QB B 3.072 ambi=2 { CB:30.305 } atom: 8891 12L-HD2 D2 0.737 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.04 atom: 8890 12L-HD1 D1 0.97 ambi=2 { CD1:17.65 } atom: 2 11M-QB B 3.072 ambi=2 { CB:30.305 } :: atom: 8891 12L-HD2 D2 0.737 ambi=2 {attached_atom is not_assigned} atom: 2 11M-QB B 3.072 ambi=2 { CB:30.305 } ::sumAvg: 4.04 atom: 2 11M-QB B 3.072 ambi=2 { CB:30.305 } atom: 11 13P-HD2 D 3.538 ambi=2 { CD:50.672 } :: atom: 2 11M-QB B 3.072 ambi=2 { CB:30.305 } atom: 12 13P-HD3 D 3.891 ambi=2 { CD:50.672 } ::sumAvg: 4.315 atom: 11 13P-HD2 D 3.538 ambi=2 { CD:50.672 } atom: 2 11M-QB B 3.072 ambi=2 { CB:30.305 } :: atom: 12 13P-HD3 D 3.891 ambi=2 { CD:50.672 } atom: 2 11M-QB B 3.072 ambi=2 { CB:30.305 } ::sumAvg: 4.315 atom: 2 11M-QB B 3.072 ambi=2 { CB:30.305 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } ::sumAvg: 4.89 atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 2 11M-QB B 3.072 ambi=2 { CB:30.305 } ::sumAvg: 4.89 atom: 2 11M-QB B 3.072 ambi=2 { CB:30.305 } atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } ::sumAvg: 4.965 atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } atom: 2 11M-QB B 3.072 ambi=2 { CB:30.305 } ::sumAvg: 4.965 atom: 8886 12L-HA A 4.13 ambi=1 { CA:61.053 } atom: 8899 13P-HA A 4.687 ambi=2 { CA:61.568 } ::sumAvg: 4.895 atom: 8899 13P-HA A 4.687 ambi=2 { CA:61.568 } atom: 8886 12L-HA A 4.13 ambi=1 { CA:61.053 } ::sumAvg: 4.895 atom: 8886 12L-HA A 4.13 ambi=1 { CA:61.053 } atom: 11 13P-HD2 D 3.538 ambi=2 { CD:50.672 } ::sumAvg: 3.955 atom: 11 13P-HD2 D 3.538 ambi=2 { CD:50.672 } atom: 8886 12L-HA A 4.13 ambi=1 { CA:61.053 } ::sumAvg: 3.955 atom: 8886 12L-HA A 4.13 ambi=1 { CA:61.053 } atom: 9948 17W-HZ2 Z2 7.464 ambi=1 { CZ2:114.6 } ::sumAvg: 4.745 atom: 8886 12L-HA A 4.13 ambi=1 { CA:61.053 } atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } ::sumAvg: 4.515 atom: 8886 12L-HA A 4.13 ambi=1 { CA:61.053 } atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } ::sumAvg: 3.41 atom: 3566 77K-QD D 1.396 ambi=2 { CD:28.08 } atom: 8886 12L-HA A 4.13 ambi=1 { CA:61.053 } ::sumAvg: 4.795 atom: 11 13P-HD2 D 3.538 ambi=2 { CD:50.672 } atom: 6 12L-H N 7.993 ambi=1 { N:122.279 } :: atom: 12 13P-HD3 D 3.891 ambi=2 { CD:50.672 } atom: 6 12L-H N 7.993 ambi=1 { N:122.279 } ::sumAvg: 2.195 atom: 8989 13P-QG G 2.022 ambi=2 { CG:27.78 } atom: 6 12L-H N 7.993 ambi=1 { N:122.279 } ::sumAvg: 4.11 atom: 20 14P-HG2 G 1.686 ambi=2 { CG:27.601 } atom: 9 13P-HB2 B 2.383 ambi=2 { CB:31.219 } :: atom: 21 14P-HG3 G 1.964 ambi=2 { CG:27.601 } atom: 9 13P-HB2 B 2.383 ambi=2 { CB:31.219 } ::sumAvg: 4.98 atom: 9 13P-HB2 B 2.383 ambi=2 { CB:31.219 } atom: 28 15E-H N 8.997 ambi=1 { N:116.877 } :: atom: 10 13P-HB3 B 1.914 ambi=2 { CB:31.219 } atom: 28 15E-H N 8.997 ambi=1 { N:116.877 } ::sumAvg: 4.635 atom: 31 15E-QB B 1.9775 ambi=2 { CB:29.104 } atom: 9 13P-HB2 B 2.383 ambi=2 { CB:31.219 } ::sumAvg: 4.33 atom: 8887 12L-QB B 1.788 ambi=2 { CB:38.62 } atom: 9 13P-HB2 B 2.383 ambi=2 { CB:31.219 } ::sumAvg: 4.72 atom: 9 13P-HB2 B 2.383 ambi=2 { CB:31.219 } atom: 8887 12L-QB B 1.788 ambi=2 { CB:38.62 } ::sumAvg: 4.72 atom: 8887 12L-QB B 1.788 ambi=2 { CB:38.62 } atom: 8899 13P-HA A 4.687 ambi=2 { CA:61.568 } ::sumAvg: 4.235 atom: 8899 13P-HA A 4.687 ambi=2 { CA:61.568 } atom: 8887 12L-QB B 1.788 ambi=2 { CB:38.62 } ::sumAvg: 4.235 atom: 11 13P-HD2 D 3.538 ambi=2 { CD:50.672 } atom: 8887 12L-QB B 1.788 ambi=2 { CB:38.62 } :: atom: 12 13P-HD3 D 3.891 ambi=2 { CD:50.672 } atom: 8887 12L-QB B 1.788 ambi=2 { CB:38.62 } ::sumAvg: 1.915 atom: 8889 12L-HG G 1.12 ambi=1 { CG:27.31 } atom: 11 13P-HD2 D 3.538 ambi=2 { CD:50.672 } :: atom: 8889 12L-HG G 1.12 ambi=1 { CG:27.31 } atom: 12 13P-HD3 D 3.891 ambi=2 { CD:50.672 } ::sumAvg: 3.81 atom: 11 13P-HD2 D 3.538 ambi=2 { CD:50.672 } atom: 8889 12L-HG G 1.12 ambi=1 { CG:27.31 } :: atom: 12 13P-HD3 D 3.891 ambi=2 { CD:50.672 } atom: 8889 12L-HG G 1.12 ambi=1 { CG:27.31 } ::sumAvg: 3.81 atom: 8890 12L-HD1 D1 0.97 ambi=2 { CD1:17.65 } atom: 11 13P-HD2 D 3.538 ambi=2 { CD:50.672 } :: atom: 8890 12L-HD1 D1 0.97 ambi=2 { CD1:17.65 } atom: 12 13P-HD3 D 3.891 ambi=2 { CD:50.672 } :: atom: 8891 12L-HD2 D2 0.737 ambi=2 {attached_atom is not_assigned} atom: 11 13P-HD2 D 3.538 ambi=2 { CD:50.672 } :: atom: 8891 12L-HD2 D2 0.737 ambi=2 {attached_atom is not_assigned} atom: 12 13P-HD3 D 3.891 ambi=2 { CD:50.672 } ::sumAvg: 3.375 atom: 8890 12L-HD1 D1 0.97 ambi=2 { CD1:17.65 } atom: 8989 13P-QG G 2.022 ambi=2 { CG:27.78 } :: atom: 8891 12L-HD2 D2 0.737 ambi=2 {attached_atom is not_assigned} atom: 8989 13P-QG G 2.022 ambi=2 { CG:27.78 } ::sumAvg: 4.805 atom: 8989 13P-QG G 2.022 ambi=2 { CG:27.78 } atom: 8890 12L-HD1 D1 0.97 ambi=2 { CD1:17.65 } :: atom: 8989 13P-QG G 2.022 ambi=2 { CG:27.78 } atom: 8891 12L-HD2 D2 0.737 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.805 atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } atom: 8890 12L-HD1 D1 0.97 ambi=2 { CD1:17.65 } :: atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } atom: 8891 12L-HD2 D2 0.737 ambi=2 {attached_atom is not_assigned} ::sumAvg: 4.805 atom: 8890 12L-HD1 D1 0.97 ambi=2 { CD1:17.65 } atom: 3564 77K-HE2 E 2.76 ambi=2 { CE:41.73 } :: atom: 8890 12L-HD1 D1 0.97 ambi=2 { CD1:17.65 } atom: 3565 77K-HE3 E 2.874 ambi=2 { CE:41.73 } :: atom: 8891 12L-HD2 D2 0.737 ambi=2 {attached_atom is not_assigned} atom: 3564 77K-HE2 E 2.76 ambi=2 { CE:41.73 } :: atom: 8891 12L-HD2 D2 0.737 ambi=2 {attached_atom is not_assigned} atom: 3565 77K-HE3 E 2.874 ambi=2 { CE:41.73 } ::sumAvg: 4.355 atom: 8899 13P-HA A 4.687 ambi=2 { CA:61.568 } atom: 9 13P-HB2 B 2.383 ambi=2 { CB:31.219 } :: atom: 8899 13P-HA A 4.687 ambi=2 { CA:61.568 } atom: 10 13P-HB3 B 1.914 ambi=2 { CB:31.219 } ::sumAvg: 2.325 atom: 8899 13P-HA A 4.687 ambi=2 { CA:61.568 } atom: 11 13P-HD2 D 3.538 ambi=2 { CD:50.672 } :: atom: 8899 13P-HA A 4.687 ambi=2 { CA:61.568 } atom: 12 13P-HD3 D 3.891 ambi=2 { CD:50.672 } ::sumAvg: 3.7 atom: 8899 13P-HA A 4.687 ambi=2 { CA:61.568 } atom: 8989 13P-QG G 2.022 ambi=2 { CG:27.78 } ::sumAvg: 3.18 atom: 8899 13P-HA A 4.687 ambi=2 { CA:61.568 } atom: 17 14P-HA A 4.129 ambi=1 { CA:64.68 } ::sumAvg: 4.45 atom: 17 14P-HA A 4.129 ambi=1 { CA:64.68 } atom: 8899 13P-HA A 4.687 ambi=2 { CA:61.568 } ::sumAvg: 4.45 atom: 8899 13P-HA A 4.687 ambi=2 { CA:61.568 } atom: 20 14P-HG2 G 1.686 ambi=2 { CG:27.601 } :: atom: 8899 13P-HA A 4.687 ambi=2 { CA:61.568 } atom: 21 14P-HG3 G 1.964 ambi=2 { CG:27.601 } ::sumAvg: 4.335 atom: 20 14P-HG2 G 1.686 ambi=2 { CG:27.601 } atom: 8899 13P-HA A 4.687 ambi=2 { CA:61.568 } :: atom: 21 14P-HG3 G 1.964 ambi=2 { CG:27.601 } atom: 8899 13P-HA A 4.687 ambi=2 { CA:61.568 } ::sumAvg: 4.335 atom: 8899 13P-HA A 4.687 ambi=2 { CA:61.568 } atom: 22 14P-HD2 D 3.634 ambi=2 { CD:50.652 } :: atom: 8899 13P-HA A 4.687 ambi=2 { CA:61.568 } atom: 23 14P-HD3 D 3.829 ambi=2 { CD:50.652 } ::sumAvg: 2.21 atom: 8899 13P-HA A 4.687 ambi=2 { CA:61.568 } atom: 1543 74K-HG3 G 1.487 ambi=2 { CG:24.98 } :: atom: 8899 13P-HA A 4.687 ambi=2 { CA:61.568 } atom: 1544 74K-HG2 G 1.33 ambi=2 { CG:24.98 } ::sumAvg: 4.605 atom: 1543 74K-HG3 G 1.487 ambi=2 { CG:24.98 } atom: 8899 13P-HA A 4.687 ambi=2 { CA:61.568 } :: atom: 1544 74K-HG2 G 1.33 ambi=2 { CG:24.98 } atom: 8899 13P-HA A 4.687 ambi=2 { CA:61.568 } ::sumAvg: 4.605 atom: 39 16Q-HB2 B 1.872 ambi=2 { CB:29.9 } atom: 8215 16Q-HE21 E2 6.81 ambi=2 { NE2:112.4 } :: atom: 39 16Q-HB2 B 1.872 ambi=2 { CB:29.9 } atom: 8216 16Q-HE22 E2 7.55 ambi=2 { NE2:112.4 } :: atom: 40 16Q-HB3 B 2.234 ambi=2 { CB:29.9 } atom: 8215 16Q-HE21 E2 6.81 ambi=2 { NE2:112.4 } :: atom: 40 16Q-HB3 B 2.234 ambi=2 { CB:29.9 } atom: 8216 16Q-HE22 E2 7.55 ambi=2 { NE2:112.4 } ::sumAvg: 3.73 atom: 39 16Q-HB2 B 1.872 ambi=2 { CB:29.9 } atom: 47 17W-H N 8.457 ambi=1 { N:123.943 } :: atom: 40 16Q-HB3 B 2.234 ambi=2 { CB:29.9 } atom: 47 17W-H N 8.457 ambi=1 { N:123.943 } ::sumAvg: 3.315 atom: 39 16Q-HB2 B 1.872 ambi=2 { CB:29.9 } atom: 48 17W-HA A 4.216 ambi=1 { CA:59.496 } :: atom: 40 16Q-HB3 B 2.234 ambi=2 { CB:29.9 } atom: 48 17W-HA A 4.216 ambi=1 { CA:59.496 } ::sumAvg: 4.615 atom: 48 17W-HA A 4.216 ambi=1 { CA:59.496 } atom: 39 16Q-HB2 B 1.872 ambi=2 { CB:29.9 } :: atom: 48 17W-HA A 4.216 ambi=1 { CA:59.496 } atom: 40 16Q-HB3 B 2.234 ambi=2 { CB:29.9 } ::sumAvg: 4.615 atom: 22 14P-HD2 D 3.634 ambi=2 { CD:50.652 } atom: 8989 13P-QG G 2.022 ambi=2 { CG:27.78 } :: atom: 23 14P-HD3 D 3.829 ambi=2 { CD:50.652 } atom: 8989 13P-QG G 2.022 ambi=2 { CG:27.78 } ::sumAvg: 4.475 atom: 8989 13P-QG G 2.022 ambi=2 { CG:27.78 } atom: 28 15E-H N 8.997 ambi=1 { N:116.877 } ::sumAvg: 4.755 atom: 18 14P-HB2 B 1.799 ambi=2 { CB:32.257 } atom: 9951 17W-HD1 D1 7.498 ambi=1 { CD1:127.37 } :: atom: 19 14P-HB3 B 2.218 ambi=2 { CB:32.257 } atom: 9951 17W-HD1 D1 7.498 ambi=1 { CD1:127.37 } ::sumAvg: 4.69 atom: 18 14P-HB2 B 1.799 ambi=2 { CB:32.257 } atom: 9954 17W-HE1 E1 10.08 ambi=1 { NE1:129.7 } :: atom: 19 14P-HB3 B 2.218 ambi=2 { CB:32.257 } atom: 9954 17W-HE1 E1 10.08 ambi=1 { NE1:129.7 } ::sumAvg: 3.74 atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } atom: 19 14P-HB3 B 2.218 ambi=2 { CB:32.257 } ::sumAvg: 4.19 atom: 19 14P-HB3 B 2.218 ambi=2 { CB:32.257 } atom: 545 74K-HB2 B 1.739 ambi=2 { CB:32.132 } ::sumAvg: 4.925 atom: 545 74K-HB2 B 1.739 ambi=2 { CB:32.132 } atom: 19 14P-HB3 B 2.218 ambi=2 { CB:32.257 } ::sumAvg: 4.925 atom: 1545 74K-QD D 1.672 ambi=2 { CD:29.87 } atom: 19 14P-HB3 B 2.218 ambi=2 { CB:32.257 } ::sumAvg: 4.7 atom: 20 14P-HG2 G 1.686 ambi=2 { CG:27.601 } atom: 28 15E-H N 8.997 ambi=1 { N:116.877 } :: atom: 21 14P-HG3 G 1.964 ambi=2 { CG:27.601 } atom: 28 15E-H N 8.997 ambi=1 { N:116.877 } ::sumAvg: 4.415 atom: 20 14P-HG2 G 1.686 ambi=2 { CG:27.601 } atom: 9954 17W-HE1 E1 10.08 ambi=1 { NE1:129.7 } :: atom: 21 14P-HG3 G 1.964 ambi=2 { CG:27.601 } atom: 9954 17W-HE1 E1 10.08 ambi=1 { NE1:129.7 } ::sumAvg: 4.97 atom: 20 14P-HG2 G 1.686 ambi=2 { CG:27.601 } atom: 1541 74K-QE E 2.973 ambi=2 { CE:42.39 } :: atom: 21 14P-HG3 G 1.964 ambi=2 { CG:27.601 } atom: 1541 74K-QE E 2.973 ambi=2 { CE:42.39 } ::sumAvg: 4.85 atom: 22 14P-HD2 D 3.634 ambi=2 { CD:50.652 } atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } :: atom: 23 14P-HD3 D 3.829 ambi=2 { CD:50.652 } atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } ::sumAvg: 4.965 atom: 22 14P-HD2 D 3.634 ambi=2 { CD:50.652 } atom: 1541 74K-QE E 2.973 ambi=2 { CE:42.39 } :: atom: 23 14P-HD3 D 3.829 ambi=2 { CD:50.652 } atom: 1541 74K-QE E 2.973 ambi=2 { CE:42.39 } ::sumAvg: 4.75 atom: 1541 74K-QE E 2.973 ambi=2 { CE:42.39 } atom: 22 14P-HD2 D 3.634 ambi=2 { CD:50.652 } :: atom: 1541 74K-QE E 2.973 ambi=2 { CE:42.39 } atom: 23 14P-HD3 D 3.829 ambi=2 { CD:50.652 } ::sumAvg: 4.75 atom: 22 14P-HD2 D 3.634 ambi=2 { CD:50.652 } atom: 1543 74K-HG3 G 1.487 ambi=2 { CG:24.98 } :: atom: 22 14P-HD2 D 3.634 ambi=2 { CD:50.652 } atom: 1544 74K-HG2 G 1.33 ambi=2 { CG:24.98 } :: atom: 23 14P-HD3 D 3.829 ambi=2 { CD:50.652 } atom: 1543 74K-HG3 G 1.487 ambi=2 { CG:24.98 } :: atom: 23 14P-HD3 D 3.829 ambi=2 { CD:50.652 } atom: 1544 74K-HG2 G 1.33 ambi=2 { CG:24.98 } ::sumAvg: 4.085 atom: 1543 74K-HG3 G 1.487 ambi=2 { CG:24.98 } atom: 22 14P-HD2 D 3.634 ambi=2 { CD:50.652 } :: atom: 1544 74K-HG2 G 1.33 ambi=2 { CG:24.98 } atom: 22 14P-HD2 D 3.634 ambi=2 { CD:50.652 } :: atom: 1543 74K-HG3 G 1.487 ambi=2 { CG:24.98 } atom: 23 14P-HD3 D 3.829 ambi=2 { CD:50.652 } :: atom: 1544 74K-HG2 G 1.33 ambi=2 { CG:24.98 } atom: 23 14P-HD3 D 3.829 ambi=2 { CD:50.652 } ::sumAvg: 4.085 atom: 1545 74K-QD D 1.672 ambi=2 { CD:29.87 } atom: 22 14P-HD2 D 3.634 ambi=2 { CD:50.652 } :: atom: 1545 74K-QD D 1.672 ambi=2 { CD:29.87 } atom: 23 14P-HD3 D 3.829 ambi=2 { CD:50.652 } ::sumAvg: 4.06 atom: 31 15E-QB B 1.9775 ambi=2 { CB:29.104 } atom: 38 16Q-HA A 4.417 ambi=1 { CA:55.521 } ::sumAvg: 4.62 atom: 38 16Q-HA A 4.417 ambi=1 { CA:55.521 } atom: 31 15E-QB B 1.9775 ambi=2 { CB:29.104 } ::sumAvg: 4.62 atom: 31 15E-QB B 1.9775 ambi=2 { CB:29.104 } atom: 47 17W-H N 8.457 ambi=1 { N:123.943 } ::sumAvg: 4.96 atom: 38 16Q-HA A 4.417 ambi=1 { CA:55.521 } atom: 8215 16Q-HE21 E2 6.81 ambi=2 { NE2:112.4 } :: atom: 38 16Q-HA A 4.417 ambi=1 { CA:55.521 } atom: 8216 16Q-HE22 E2 7.55 ambi=2 { NE2:112.4 } ::sumAvg: 4.275 atom: 38 16Q-HA A 4.417 ambi=1 { CA:55.521 } atom: 49 17W-HB2 B 2.919 ambi=2 { CB:29.005 } :: atom: 38 16Q-HA A 4.417 ambi=1 { CA:55.521 } atom: 50 17W-HB3 B 3.059 ambi=2 { CB:29.005 } ::sumAvg: 4.925 atom: 49 17W-HB2 B 2.919 ambi=2 { CB:29.005 } atom: 38 16Q-HA A 4.417 ambi=1 { CA:55.521 } :: atom: 50 17W-HB3 B 3.059 ambi=2 { CB:29.005 } atom: 38 16Q-HA A 4.417 ambi=1 { CA:55.521 } ::sumAvg: 4.925 atom: 38 16Q-HA A 4.417 ambi=1 { CA:55.521 } atom: 9951 17W-HD1 D1 7.498 ambi=1 { CD1:127.37 } ::sumAvg: 4.445 atom: 85 22V-HB B 2.055 ambi=1 { CB:31.34 } atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } ::sumAvg: 4.52 atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } atom: 85 22V-HB B 2.055 ambi=1 { CB:31.34 } ::sumAvg: 4.52 atom: 85 22V-HB B 2.055 ambi=1 { CB:31.34 } atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } :: atom: 85 22V-HB B 2.055 ambi=1 { CB:31.34 } atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } ::sumAvg: 4.725 atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } atom: 85 22V-HB B 2.055 ambi=1 { CB:31.34 } :: atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } atom: 85 22V-HB B 2.055 ambi=1 { CB:31.34 } ::sumAvg: 4.725 atom: 85 22V-HB B 2.055 ambi=1 { CB:31.34 } atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } :: atom: 85 22V-HB B 2.055 ambi=1 { CB:31.34 } atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } ::sumAvg: 4.86 atom: 85 22V-HB B 2.055 ambi=1 { CB:31.34 } atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } ::sumAvg: 4.03 atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } atom: 85 22V-HB B 2.055 ambi=1 { CB:31.34 } ::sumAvg: 4.03 atom: 85 22V-HB B 2.055 ambi=1 { CB:31.34 } atom: 372 52I-HD1 D1 0.513 ambi=2 { CD1:14.061 } ::sumAvg: 4.71 atom: 372 52I-HD1 D1 0.513 ambi=2 { CD1:14.061 } atom: 85 22V-HB B 2.055 ambi=1 { CB:31.34 } ::sumAvg: 4.71 atom: 85 22V-HB B 2.055 ambi=1 { CB:31.34 } atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } ::sumAvg: 4.195 atom: 85 22V-HB B 2.055 ambi=1 { CB:31.34 } atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } ::sumAvg: 4.495 atom: 95 23R-HB2 B 1.938 ambi=2 { CB:29.46 } atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } :: atom: 96 23R-HB3 B 1.621 ambi=2 { CB:29.46 } atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } :: atom: 95 23R-HB2 B 1.938 ambi=2 { CB:29.46 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } :: atom: 96 23R-HB3 B 1.621 ambi=2 { CB:29.46 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } ::sumAvg: 4.005 atom: 7795 23R-HG2 G 1.479 ambi=2 { CG:28.45 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } :: atom: 7796 23R-HG3 G 1.334 ambi=2 { CG:28.45 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } ::sumAvg: 4.72 atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } atom: 102 24N-H N 8.084 ambi=1 { N:116.048 } :: atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } atom: 102 24N-H N 8.084 ambi=1 { N:116.048 } ::sumAvg: 4.715 atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } atom: 115 26L-H N 8.691 ambi=1 { N:117.957 } :: atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } atom: 115 26L-H N 8.691 ambi=1 { N:117.957 } ::sumAvg: 4.015 atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } :: atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } :: atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } ::sumAvg: 4.05 atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } :: atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } :: atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } ::sumAvg: 4.05 atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } atom: 118 26L-HG G 1.336 ambi=1 { CG:27.13 } ::sumAvg: 3.725 atom: 118 26L-HG G 1.336 ambi=1 { CG:27.13 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } ::sumAvg: 3.725 atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } atom: 372 52I-HD1 D1 0.513 ambi=2 { CD1:14.061 } ::sumAvg: 3.325 atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } ::sumAvg: 3.4 atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } :: atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } ::sumAvg: 4.82 atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } :: atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } ::sumAvg: 4.82 atom: 468 65K-HB2 B 1.677 ambi=2 { CB:30.726 } atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } :: atom: 469 65K-HB3 B 2.081 ambi=2 { CB:30.726 } atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } :: atom: 468 65K-HB2 B 1.677 ambi=2 { CB:30.726 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } :: atom: 469 65K-HB3 B 2.081 ambi=2 { CB:30.726 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } ::sumAvg: 3.97 atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } atom: 476 66C-H N 8.177 ambi=1 { N:118.973 } :: atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } atom: 476 66C-H N 8.177 ambi=1 { N:118.973 } ::sumAvg: 4.665 atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } atom: 513 70G-H N 8.181 ambi=1 { N:108.539 } :: atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } atom: 513 70G-H N 8.181 ambi=1 { N:108.539 } ::sumAvg: 4.75 atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } :: atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } ::sumAvg: 4.595 atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } :: atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } ::sumAvg: 4.595 atom: 41 16Q-QG G 2.269 ambi=2 { CG:34.052 } atom: 47 17W-H N 8.457 ambi=1 { N:123.943 } ::sumAvg: 3.9 atom: 41 16Q-QG G 2.269 ambi=2 { CG:34.052 } atom: 48 17W-HA A 4.216 ambi=1 { CA:59.496 } ::sumAvg: 4.89 atom: 48 17W-HA A 4.216 ambi=1 { CA:59.496 } atom: 41 16Q-QG G 2.269 ambi=2 { CG:34.052 } ::sumAvg: 4.89 atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 47 17W-H N 8.457 ambi=1 { N:123.943 } ::sumAvg: 4.01 atom: 48 17W-HA A 4.216 ambi=1 { CA:59.496 } atom: 76 21T-H N 7.366 ambi=1 { N:117.272 } ::sumAvg: 4.98 atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 48 17W-HA A 4.216 ambi=1 { CA:59.496 } ::sumAvg: 2.82 atom: 48 17W-HA A 4.216 ambi=1 { CA:59.496 } atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } ::sumAvg: 4.955 atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } atom: 49 17W-HB2 B 2.919 ambi=2 { CB:29.005 } :: atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } atom: 49 17W-HB2 B 2.919 ambi=2 { CB:29.005 } :: atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } atom: 50 17W-HB3 B 3.059 ambi=2 { CB:29.005 } :: atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } atom: 50 17W-HB3 B 3.059 ambi=2 { CB:29.005 } ::sumAvg: 3.85 atom: 49 17W-HB2 B 2.919 ambi=2 { CB:29.005 } atom: 9954 17W-HE1 E1 10.08 ambi=1 { NE1:129.7 } :: atom: 50 17W-HB3 B 3.059 ambi=2 { CB:29.005 } atom: 9954 17W-HE1 E1 10.08 ambi=1 { NE1:129.7 } ::sumAvg: 4.92 atom: 49 17W-HB2 B 2.919 ambi=2 { CB:29.005 } atom: 55 18S-HA A 4.513 ambi=1 { CA:55.99 } :: atom: 50 17W-HB3 B 3.059 ambi=2 { CB:29.005 } atom: 55 18S-HA A 4.513 ambi=1 { CA:55.99 } ::sumAvg: 4.58 atom: 49 17W-HB2 B 2.919 ambi=2 { CB:29.005 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } :: atom: 50 17W-HB3 B 3.059 ambi=2 { CB:29.005 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } ::sumAvg: 3.96 atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 49 17W-HB2 B 2.919 ambi=2 { CB:29.005 } :: atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 50 17W-HB3 B 3.059 ambi=2 { CB:29.005 } ::sumAvg: 3.96 atom: 49 17W-HB2 B 2.919 ambi=2 { CB:29.005 } atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } :: atom: 50 17W-HB3 B 3.059 ambi=2 { CB:29.005 } atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } ::sumAvg: 4.59 atom: 478 66C-HB2 B 2.358 ambi=2 { CB:26.493 } atom: 49 17W-HB2 B 2.919 ambi=2 { CB:29.005 } :: atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } atom: 49 17W-HB2 B 2.919 ambi=2 { CB:29.005 } :: atom: 478 66C-HB2 B 2.358 ambi=2 { CB:26.493 } atom: 50 17W-HB3 B 3.059 ambi=2 { CB:29.005 } ::sumAvg: 4.89 atom: 49 17W-HB2 B 2.919 ambi=2 { CB:29.005 } atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } :: atom: 50 17W-HB3 B 3.059 ambi=2 { CB:29.005 } atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } ::sumAvg: 4.87 atom: 49 17W-HB2 B 2.919 ambi=2 { CB:29.005 } atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } :: atom: 50 17W-HB3 B 3.059 ambi=2 { CB:29.005 } atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } ::sumAvg: 4.235 atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } atom: 49 17W-HB2 B 2.919 ambi=2 { CB:29.005 } :: atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } atom: 50 17W-HB3 B 3.059 ambi=2 { CB:29.005 } ::sumAvg: 4.235 atom: 85 22V-HB B 2.055 ambi=1 { CB:31.34 } atom: 9942 17W-HE3 E3 7.46 ambi=1 { CE3:120 } ::sumAvg: 4.165 atom: 477 66C-HA A 3.901 ambi=1 { CA:64.775 } atom: 9942 17W-HE3 E3 7.46 ambi=1 { CE3:120 } ::sumAvg: 4.955 atom: 85 22V-HB B 2.055 ambi=1 { CB:31.34 } atom: 9944 17W-HZ3 Z3 6.847 ambi=1 { CZ3:121.06 } ::sumAvg: 4.92 atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 9944 17W-HZ3 Z3 6.847 ambi=1 { CZ3:121.06 } ::sumAvg: 3.735 atom: 3377 21T-HB B 3.748 ambi=1 { CB:68.66 } atom: 9944 17W-HZ3 Z3 6.847 ambi=1 { CZ3:121.06 } ::sumAvg: 4.915 atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } atom: 9944 17W-HZ3 Z3 6.847 ambi=1 { CZ3:121.06 } :: atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } atom: 9944 17W-HZ3 Z3 6.847 ambi=1 { CZ3:121.06 } ::sumAvg: 4.655 atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 9946 17W-HH2 H2 6.598 ambi=1 { CH2:123.7 } ::sumAvg: 4.895 atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } atom: 9946 17W-HH2 H2 6.598 ambi=1 { CH2:123.7 } ::sumAvg: 4.61 atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } atom: 9948 17W-HZ2 Z2 7.464 ambi=1 { CZ2:114.6 } :: atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } atom: 9948 17W-HZ2 Z2 7.464 ambi=1 { CZ2:114.6 } ::sumAvg: 4.645 atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 9951 17W-HD1 D1 7.498 ambi=1 { CD1:127.37 } ::sumAvg: 4.755 atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } atom: 9954 17W-HE1 E1 10.08 ambi=1 { NE1:129.7 } ::sumAvg: 4.98 atom: 77 21T-HA A 3.672 ambi=1 { CA:65.14 } atom: 54 18S-H N 8.359 ambi=1 { N:117.131 } ::sumAvg: 4.7 atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 54 18S-H N 8.359 ambi=1 { N:117.131 } ::sumAvg: 3.22 atom: 55 18S-HA A 4.513 ambi=1 { CA:55.99 } atom: 57 18S-HB3 B 3.852 ambi=2 { CB:66.818 } ::sumAvg: 2.425 atom: 57 18S-HB3 B 3.852 ambi=2 { CB:66.818 } atom: 55 18S-HA A 4.513 ambi=1 { CA:55.99 } ::sumAvg: 2.425 atom: 55 18S-HA A 4.513 ambi=1 { CA:55.99 } atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } ::sumAvg: 2.62 atom: 55 18S-HA A 4.513 ambi=1 { CA:55.99 } atom: 62 19H-HA A 3.948 ambi=1 { CA:61.37 } ::sumAvg: 4.38 atom: 62 19H-HA A 3.948 ambi=1 { CA:61.37 } atom: 55 18S-HA A 4.513 ambi=1 { CA:55.99 } ::sumAvg: 4.38 atom: 63 19H-HB2 B 2.929 ambi=2 { CB:30.306 } atom: 55 18S-HA A 4.513 ambi=1 { CA:55.99 } :: atom: 64 19H-HB3 B 2.812 ambi=2 { CB:30.306 } atom: 55 18S-HA A 4.513 ambi=1 { CA:55.99 } ::sumAvg: 4.885 atom: 55 18S-HA A 4.513 ambi=1 { CA:55.99 } atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } ::sumAvg: 4.565 atom: 55 18S-HA A 4.513 ambi=1 { CA:55.99 } atom: 76 21T-H N 7.366 ambi=1 { N:117.272 } ::sumAvg: 4.685 atom: 55 18S-HA A 4.513 ambi=1 { CA:55.99 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } ::sumAvg: 4.165 atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } atom: 55 18S-HA A 4.513 ambi=1 { CA:55.99 } ::sumAvg: 4.165 atom: 56 18S-HB2 B 4.272 ambi=2 { CB:66.818 } atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } :: atom: 57 18S-HB3 B 3.852 ambi=2 { CB:66.818 } atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } ::sumAvg: 2.58 atom: 56 18S-HB2 B 4.272 ambi=2 { CB:66.818 } atom: 63 19H-HB2 B 2.929 ambi=2 { CB:30.306 } :: atom: 56 18S-HB2 B 4.272 ambi=2 { CB:66.818 } atom: 64 19H-HB3 B 2.812 ambi=2 { CB:30.306 } :: atom: 57 18S-HB3 B 3.852 ambi=2 { CB:66.818 } atom: 63 19H-HB2 B 2.929 ambi=2 { CB:30.306 } :: atom: 57 18S-HB3 B 3.852 ambi=2 { CB:66.818 } atom: 64 19H-HB3 B 2.812 ambi=2 { CB:30.306 } ::sumAvg: 4.705 atom: 63 19H-HB2 B 2.929 ambi=2 { CB:30.306 } atom: 56 18S-HB2 B 4.272 ambi=2 { CB:66.818 } :: atom: 64 19H-HB3 B 2.812 ambi=2 { CB:30.306 } atom: 56 18S-HB2 B 4.272 ambi=2 { CB:66.818 } :: atom: 63 19H-HB2 B 2.929 ambi=2 { CB:30.306 } atom: 57 18S-HB3 B 3.852 ambi=2 { CB:66.818 } :: atom: 64 19H-HB3 B 2.812 ambi=2 { CB:30.306 } atom: 57 18S-HB3 B 3.852 ambi=2 { CB:66.818 } ::sumAvg: 4.705 atom: 56 18S-HB2 B 4.272 ambi=2 { CB:66.818 } atom: 7767 19H-HD2 D2 6.701 ambi=1 { CD2:118.2 } :: atom: 57 18S-HB3 B 3.852 ambi=2 { CB:66.818 } atom: 7767 19H-HD2 D2 6.701 ambi=1 { CD2:118.2 } ::sumAvg: 4.845 atom: 56 18S-HB2 B 4.272 ambi=2 { CB:66.818 } atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } :: atom: 57 18S-HB3 B 3.852 ambi=2 { CB:66.818 } atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } ::sumAvg: 2.975 atom: 56 18S-HB2 B 4.272 ambi=2 { CB:66.818 } atom: 71 20T-HG2 G2 1.075 ambi=2 { CG2:21.866 } :: atom: 57 18S-HB3 B 3.852 ambi=2 { CB:66.818 } atom: 71 20T-HG2 G2 1.075 ambi=2 { CG2:21.866 } ::sumAvg: 4.925 atom: 56 18S-HB2 B 4.272 ambi=2 { CB:66.818 } atom: 76 21T-H N 7.366 ambi=1 { N:117.272 } :: atom: 57 18S-HB3 B 3.852 ambi=2 { CB:66.818 } atom: 76 21T-H N 7.366 ambi=1 { N:117.272 } ::sumAvg: 3.425 atom: 56 18S-HB2 B 4.272 ambi=2 { CB:66.818 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } :: atom: 57 18S-HB3 B 3.852 ambi=2 { CB:66.818 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } ::sumAvg: 4.615 atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 56 18S-HB2 B 4.272 ambi=2 { CB:66.818 } :: atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 57 18S-HB3 B 3.852 ambi=2 { CB:66.818 } ::sumAvg: 4.615 atom: 56 18S-HB2 B 4.272 ambi=2 { CB:66.818 } atom: 3377 21T-HB B 3.748 ambi=1 { CB:68.66 } ::sumAvg: 4.78 atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } :: atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } ::sumAvg: 4.95 atom: 62 19H-HA A 3.948 ambi=1 { CA:61.37 } atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } ::sumAvg: 2.81 atom: 63 19H-HB2 B 2.929 ambi=2 { CB:30.306 } atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } :: atom: 64 19H-HB3 B 2.812 ambi=2 { CB:30.306 } atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } ::sumAvg: 2.47 atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } atom: 61 19H-H N 8.835 ambi=1 { N:120.098 } ::sumAvg: 3.82 atom: 62 19H-HA A 3.948 ambi=1 { CA:61.37 } atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } ::sumAvg: 3.51 atom: 62 19H-HA A 3.948 ambi=1 { CA:61.37 } atom: 76 21T-H N 7.366 ambi=1 { N:117.272 } ::sumAvg: 4.465 atom: 62 19H-HA A 3.948 ambi=1 { CA:61.37 } atom: 93 23R-H N 8.357 ambi=1 { N:120.207 } ::sumAvg: 4.91 atom: 62 19H-HA A 3.948 ambi=1 { CA:61.37 } atom: 439 61V-HB B 1.936 ambi=1 { CB:32.702 } ::sumAvg: 4.215 atom: 439 61V-HB B 1.936 ambi=1 { CB:32.702 } atom: 62 19H-HA A 3.948 ambi=1 { CA:61.37 } ::sumAvg: 4.215 atom: 63 19H-HB2 B 2.929 ambi=2 { CB:30.306 } atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } :: atom: 63 19H-HB2 B 2.929 ambi=2 { CB:30.306 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } :: atom: 64 19H-HB3 B 2.812 ambi=2 { CB:30.306 } atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } :: atom: 64 19H-HB3 B 2.812 ambi=2 { CB:30.306 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } ::sumAvg: 4.915 atom: 63 19H-HB2 B 2.929 ambi=2 { CB:30.306 } atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } :: atom: 64 19H-HB3 B 2.812 ambi=2 { CB:30.306 } atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } ::sumAvg: 3.32 atom: 63 19H-HB2 B 2.929 ambi=2 { CB:30.306 } atom: 70 20T-HA A 3.75 ambi=1 { CA:66.06 } :: atom: 64 19H-HB3 B 2.812 ambi=2 { CB:30.306 } atom: 70 20T-HA A 3.75 ambi=1 { CA:66.06 } ::sumAvg: 4.585 atom: 70 20T-HA A 3.75 ambi=1 { CA:66.06 } atom: 63 19H-HB2 B 2.929 ambi=2 { CB:30.306 } :: atom: 70 20T-HA A 3.75 ambi=1 { CA:66.06 } atom: 64 19H-HB3 B 2.812 ambi=2 { CB:30.306 } ::sumAvg: 4.585 atom: 63 19H-HB2 B 2.929 ambi=2 { CB:30.306 } atom: 71 20T-HG2 G2 1.075 ambi=2 { CG2:21.866 } :: atom: 64 19H-HB3 B 2.812 ambi=2 { CB:30.306 } atom: 71 20T-HG2 G2 1.075 ambi=2 { CG2:21.866 } ::sumAvg: 4.68 atom: 71 20T-HG2 G2 1.075 ambi=2 { CG2:21.866 } atom: 63 19H-HB2 B 2.929 ambi=2 { CB:30.306 } :: atom: 71 20T-HG2 G2 1.075 ambi=2 { CG2:21.866 } atom: 64 19H-HB3 B 2.812 ambi=2 { CB:30.306 } ::sumAvg: 4.68 atom: 63 19H-HB2 B 2.929 ambi=2 { CB:30.306 } atom: 437 61V-H N 7.9 ambi=1 { N:122.088 } :: atom: 64 19H-HB3 B 2.812 ambi=2 { CB:30.306 } atom: 437 61V-H N 7.9 ambi=1 { N:122.088 } ::sumAvg: 4.585 atom: 63 19H-HB2 B 2.929 ambi=2 { CB:30.306 } atom: 439 61V-HB B 1.936 ambi=1 { CB:32.702 } :: atom: 64 19H-HB3 B 2.812 ambi=2 { CB:30.306 } atom: 439 61V-HB B 1.936 ambi=1 { CB:32.702 } ::sumAvg: 4.465 atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } :: atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } ::sumAvg: 4.835 atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 68 20T-H N 7.715 ambi=1 { N:114.052 } ::sumAvg: 4.935 atom: 69 20T-HB B 3.89 ambi=1 { CB:68.5 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } ::sumAvg: 4.595 atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 69 20T-HB B 3.89 ambi=1 { CB:68.5 } ::sumAvg: 4.595 atom: 69 20T-HB B 3.89 ambi=1 { CB:68.5 } atom: 95 23R-HB2 B 1.938 ambi=2 { CB:29.46 } :: atom: 69 20T-HB B 3.89 ambi=1 { CB:68.5 } atom: 96 23R-HB3 B 1.621 ambi=2 { CB:29.46 } ::sumAvg: 4.67 atom: 95 23R-HB2 B 1.938 ambi=2 { CB:29.46 } atom: 69 20T-HB B 3.89 ambi=1 { CB:68.5 } :: atom: 96 23R-HB3 B 1.621 ambi=2 { CB:29.46 } atom: 69 20T-HB B 3.89 ambi=1 { CB:68.5 } ::sumAvg: 4.67 atom: 70 20T-HA A 3.75 ambi=1 { CA:66.06 } atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } :: atom: 70 20T-HA A 3.75 ambi=1 { CA:66.06 } atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } ::sumAvg: 4.85 atom: 70 20T-HA A 3.75 ambi=1 { CA:66.06 } atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } ::sumAvg: 4.44 atom: 70 20T-HA A 3.75 ambi=1 { CA:66.06 } atom: 7793 23R-QD D 3.267 ambi=2 { CD:43.404 } ::sumAvg: 3.81 atom: 7793 23R-QD D 3.267 ambi=2 { CD:43.404 } atom: 70 20T-HA A 3.75 ambi=1 { CA:66.06 } ::sumAvg: 3.81 atom: 70 20T-HA A 3.75 ambi=1 { CA:66.06 } atom: 7795 23R-HG2 G 1.479 ambi=2 { CG:28.45 } :: atom: 70 20T-HA A 3.75 ambi=1 { CA:66.06 } atom: 7796 23R-HG3 G 1.334 ambi=2 { CG:28.45 } ::sumAvg: 4.68 atom: 7795 23R-HG2 G 1.479 ambi=2 { CG:28.45 } atom: 70 20T-HA A 3.75 ambi=1 { CA:66.06 } :: atom: 7796 23R-HG3 G 1.334 ambi=2 { CG:28.45 } atom: 70 20T-HA A 3.75 ambi=1 { CA:66.06 } ::sumAvg: 4.68 atom: 71 20T-HG2 G2 1.075 ambi=2 { CG2:21.866 } atom: 77 21T-HA A 3.672 ambi=1 { CA:65.14 } ::sumAvg: 4.37 atom: 71 20T-HG2 G2 1.075 ambi=2 { CG2:21.866 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } ::sumAvg: 4.79 atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 71 20T-HG2 G2 1.075 ambi=2 { CG2:21.866 } ::sumAvg: 4.79 atom: 71 20T-HG2 G2 1.075 ambi=2 { CG2:21.866 } atom: 93 23R-H N 8.357 ambi=1 { N:120.207 } ::sumAvg: 4.69 atom: 71 20T-HG2 G2 1.075 ambi=2 { CG2:21.866 } atom: 95 23R-HB2 B 1.938 ambi=2 { CB:29.46 } :: atom: 71 20T-HG2 G2 1.075 ambi=2 { CG2:21.866 } atom: 96 23R-HB3 B 1.621 ambi=2 { CB:29.46 } ::sumAvg: 3.795 atom: 95 23R-HB2 B 1.938 ambi=2 { CB:29.46 } atom: 71 20T-HG2 G2 1.075 ambi=2 { CG2:21.866 } :: atom: 96 23R-HB3 B 1.621 ambi=2 { CB:29.46 } atom: 71 20T-HG2 G2 1.075 ambi=2 { CG2:21.866 } ::sumAvg: 3.795 atom: 71 20T-HG2 G2 1.075 ambi=2 { CG2:21.866 } atom: 7793 23R-QD D 3.267 ambi=2 { CD:43.404 } ::sumAvg: 4.185 atom: 71 20T-HG2 G2 1.075 ambi=2 { CG2:21.866 } atom: 102 24N-H N 8.084 ambi=1 { N:116.048 } ::sumAvg: 4.73 atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } atom: 76 21T-H N 7.366 ambi=1 { N:117.272 } :: atom: 87 22V-HG2 G2 0.126 ambi=2 { CG2:20.885 } atom: 76 21T-H N 7.366 ambi=1 { N:117.272 } ::sumAvg: 4.165 atom: 77 21T-HA A 3.672 ambi=1 { CA:65.14 } atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } ::sumAvg: 3.555 atom: 77 21T-HA A 3.672 ambi=1 { CA:65.14 } atom: 93 23R-H N 8.357 ambi=1 { N:120.207 } ::sumAvg: 4.315 atom: 77 21T-HA A 3.672 ambi=1 { CA:65.14 } atom: 102 24N-H N 8.084 ambi=1 { N:116.048 } ::sumAvg: 3.75 atom: 77 21T-HA A 3.672 ambi=1 { CA:65.14 } atom: 109 25A-H N 7.842 ambi=1 { N:123.506 } ::sumAvg: 4.82 atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } ::sumAvg: 4.08 atom: 86 22V-HG1 G1 1.195 ambi=2 { CG1:23.98 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } ::sumAvg: 4.08 atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } ::sumAvg: 3.535 atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 84 22V-HA A 3.499 ambi=1 { CA:66.994 } ::sumAvg: 4.415 atom: 84 22V-HA A 3.499 ambi=1 { CA:66.994 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } ::sumAvg: 4.415 atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 102 24N-H N 8.084 ambi=1 { N:116.048 } ::sumAvg: 4.825 atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 104 24N-HB2 B 2.79 ambi=2 { CB:37.474 } :: atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 105 24N-HB3 B 2.687 ambi=2 { CB:37.474 } ::sumAvg: 3.995 atom: 104 24N-HB2 B 2.79 ambi=2 { CB:37.474 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } :: atom: 105 24N-HB3 B 2.687 ambi=2 { CB:37.474 } atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } ::sumAvg: 3.995 atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 5203 24N-HD21 D2 6.913 ambi=2 { ND2:112.3 } :: atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 5204 24N-HD22 D2 7.578 ambi=2 { ND2:112.3 } ::sumAvg: 4.53 atom: 78 21T-HG2 G2 0.205 ambi=2 { CG2:22.584 } atom: 109 25A-H N 7.842 ambi=1 { N:123.506 } ::sumAvg: 4.765 atom: 95 23R-HB2 B 1.938 ambi=2 { CB:29.46 } atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } :: atom: 96 23R-HB3 B 1.621 ambi=2 { CB:29.46 } atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } ::sumAvg: 4.87 atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } atom: 83 22V-H N 8.245 ambi=1 { N:121.128 } ::sumAvg: 4.67 atom: 84 22V-HA A 3.499 ambi=1 { CA:66.994 } atom: 93 23R-H N 8.357 ambi=1 { N:120.207 } ::sumAvg: 3.53 atom: 84 22V-HA A 3.499 ambi=1 { CA:66.994 } atom: 102 24N-H N 8.084 ambi=1 { N:116.048 } ::sumAvg: 4.445 atom: 84 22V-HA A 3.499 ambi=1 { CA:66.994 } atom: 115 26L-H N 8.691 ambi=1 { N:117.957 } ::sumAvg: 3.945 atom: 84 22V-HA A 3.499 ambi=1 { CA:66.994 } atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } :: atom: 84 22V-HA A 3.499 ambi=1 { CA:66.994 } atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } ::sumAvg: 4.78 atom: 84 22V-HA A 3.499 ambi=1 { CA:66.994 } atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } ::sumAvg: 3.83 atom: 7795 23R-HG2 G 1.479 ambi=2 { CG:28.45 } atom: 93 23R-H N 8.357 ambi=1 { N:120.207 } :: atom: 7796 23R-HG3 G 1.334 ambi=2 { CG:28.45 } atom: 93 23R-H N 8.357 ambi=1 { N:120.207 } ::sumAvg: 3.485 atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } atom: 93 23R-H N 8.357 ambi=1 { N:120.207 } ::sumAvg: 4.695 atom: 94 23R-HA A 3.453 ambi=1 { CA:61.016 } atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } ::sumAvg: 4.78 atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } atom: 94 23R-HA A 3.453 ambi=1 { CA:61.016 } ::sumAvg: 4.78 atom: 94 23R-HA A 3.453 ambi=1 { CA:61.016 } atom: 109 25A-H N 7.842 ambi=1 { N:123.506 } ::sumAvg: 4.49 atom: 94 23R-HA A 3.453 ambi=1 { CA:61.016 } atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } ::sumAvg: 4.98 atom: 118 26L-HG G 1.336 ambi=1 { CG:27.13 } atom: 94 23R-HA A 3.453 ambi=1 { CA:61.016 } ::sumAvg: 4.205 atom: 368 52I-HB B 1.606 ambi=1 { CB:37.902 } atom: 94 23R-HA A 3.453 ambi=1 { CA:61.016 } ::sumAvg: 4.335 atom: 94 23R-HA A 3.453 ambi=1 { CA:61.016 } atom: 372 52I-HD1 D1 0.513 ambi=2 { CD1:14.061 } ::sumAvg: 4.33 atom: 372 52I-HD1 D1 0.513 ambi=2 { CD1:14.061 } atom: 94 23R-HA A 3.453 ambi=1 { CA:61.016 } ::sumAvg: 4.33 atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } atom: 94 23R-HA A 3.453 ambi=1 { CA:61.016 } :: atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } atom: 94 23R-HA A 3.453 ambi=1 { CA:61.016 } ::sumAvg: 4.815 atom: 95 23R-HB2 B 1.938 ambi=2 { CB:29.46 } atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } :: atom: 96 23R-HB3 B 1.621 ambi=2 { CB:29.46 } atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } ::sumAvg: 4.29 atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } atom: 95 23R-HB2 B 1.938 ambi=2 { CB:29.46 } :: atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } atom: 96 23R-HB3 B 1.621 ambi=2 { CB:29.46 } ::sumAvg: 4.29 atom: 95 23R-HB2 B 1.938 ambi=2 { CB:29.46 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } :: atom: 96 23R-HB3 B 1.621 ambi=2 { CB:29.46 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } ::sumAvg: 4.39 atom: 7793 23R-QD D 3.267 ambi=2 { CD:43.404 } atom: 102 24N-H N 8.084 ambi=1 { N:116.048 } ::sumAvg: 4.4 atom: 7793 23R-QD D 3.267 ambi=2 { CD:43.404 } atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } ::sumAvg: 4.735 atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } atom: 7793 23R-QD D 3.267 ambi=2 { CD:43.404 } ::sumAvg: 4.735 atom: 7793 23R-QD D 3.267 ambi=2 { CD:43.404 } atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } ::sumAvg: 4.955 atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } atom: 7793 23R-QD D 3.267 ambi=2 { CD:43.404 } ::sumAvg: 4.955 atom: 7793 23R-QD D 3.267 ambi=2 { CD:43.404 } atom: 395 55S-QB B 3.919 ambi=2 { CB:63.9 } ::sumAvg: 4.175 atom: 395 55S-QB B 3.919 ambi=2 { CB:63.9 } atom: 7793 23R-QD D 3.267 ambi=2 { CD:43.404 } ::sumAvg: 4.175 atom: 7793 23R-QD D 3.267 ambi=2 { CD:43.404 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } ::sumAvg: 4.815 atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } atom: 7793 23R-QD D 3.267 ambi=2 { CD:43.404 } ::sumAvg: 4.815 atom: 7795 23R-HG2 G 1.479 ambi=2 { CG:28.45 } atom: 102 24N-H N 8.084 ambi=1 { N:116.048 } :: atom: 7796 23R-HG3 G 1.334 ambi=2 { CG:28.45 } atom: 102 24N-H N 8.084 ambi=1 { N:116.048 } ::sumAvg: 4.095 atom: 7795 23R-HG2 G 1.479 ambi=2 { CG:28.45 } atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } :: atom: 7796 23R-HG3 G 1.334 ambi=2 { CG:28.45 } atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } ::sumAvg: 4.925 atom: 7795 23R-HG2 G 1.479 ambi=2 { CG:28.45 } atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } :: atom: 7795 23R-HG2 G 1.479 ambi=2 { CG:28.45 } atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } :: atom: 7796 23R-HG3 G 1.334 ambi=2 { CG:28.45 } atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } :: atom: 7796 23R-HG3 G 1.334 ambi=2 { CG:28.45 } atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } ::sumAvg: 4.595 atom: 367 52I-HA A 3.652 ambi=1 { CA:64.84 } atom: 7795 23R-HG2 G 1.479 ambi=2 { CG:28.45 } :: atom: 367 52I-HA A 3.652 ambi=1 { CA:64.84 } atom: 7796 23R-HG3 G 1.334 ambi=2 { CG:28.45 } ::sumAvg: 4.405 atom: 7795 23R-HG2 G 1.479 ambi=2 { CG:28.45 } atom: 369 52I-HG12 G1 0.737 ambi=2 { CG1:29.069 } :: atom: 7796 23R-HG3 G 1.334 ambi=2 { CG:28.45 } atom: 369 52I-HG12 G1 0.737 ambi=2 { CG1:29.069 } ::sumAvg: 4.9 atom: 369 52I-HG12 G1 0.737 ambi=2 { CG1:29.069 } atom: 7795 23R-HG2 G 1.479 ambi=2 { CG:28.45 } :: atom: 369 52I-HG12 G1 0.737 ambi=2 { CG1:29.069 } atom: 7796 23R-HG3 G 1.334 ambi=2 { CG:28.45 } ::sumAvg: 4.9 atom: 7795 23R-HG2 G 1.479 ambi=2 { CG:28.45 } atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } :: atom: 7795 23R-HG2 G 1.479 ambi=2 { CG:28.45 } atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } :: atom: 7796 23R-HG3 G 1.334 ambi=2 { CG:28.45 } atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } :: atom: 7796 23R-HG3 G 1.334 ambi=2 { CG:28.45 } atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } ::sumAvg: 4.32 atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } atom: 102 24N-H N 8.084 ambi=1 { N:116.048 } ::sumAvg: 4.895 atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } atom: 5203 24N-HD21 D2 6.913 ambi=2 { ND2:112.3 } :: atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } atom: 5204 24N-HD22 D2 7.578 ambi=2 { ND2:112.3 } ::sumAvg: 4.4 atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } atom: 115 26L-H N 8.691 ambi=1 { N:117.957 } ::sumAvg: 4.645 atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } atom: 126 27K-H N 8.164 ambi=1 { N:116.679 } ::sumAvg: 3.76 atom: 2128 27K-HG2 G 1.436 ambi=2 { CG:25.76 } atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } :: atom: 2129 27K-HG3 G 1.718 ambi=2 { CG:25.76 } atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } ::sumAvg: 3.92 atom: 103 24N-HA A 4.322 ambi=1 { CA:55.773 } atom: 136 28D-H N 7.421 ambi=1 { N:118.199 } ::sumAvg: 4.52 atom: 104 24N-HB2 B 2.79 ambi=2 { CB:37.474 } atom: 110 25A-HA A 4.242 ambi=1 { CA:55.312 } :: atom: 105 24N-HB3 B 2.687 ambi=2 { CB:37.474 } atom: 110 25A-HA A 4.242 ambi=1 { CA:55.312 } ::sumAvg: 4.305 atom: 110 25A-HA A 4.242 ambi=1 { CA:55.312 } atom: 104 24N-HB2 B 2.79 ambi=2 { CB:37.474 } :: atom: 110 25A-HA A 4.242 ambi=1 { CA:55.312 } atom: 105 24N-HB3 B 2.687 ambi=2 { CB:37.474 } ::sumAvg: 4.305 atom: 104 24N-HB2 B 2.79 ambi=2 { CB:37.474 } atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } :: atom: 105 24N-HB3 B 2.687 ambi=2 { CB:37.474 } atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } ::sumAvg: 4.23 atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } atom: 104 24N-HB2 B 2.79 ambi=2 { CB:37.474 } :: atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } atom: 105 24N-HB3 B 2.687 ambi=2 { CB:37.474 } ::sumAvg: 4.23 atom: 104 24N-HB2 B 2.79 ambi=2 { CB:37.474 } atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } :: atom: 105 24N-HB3 B 2.687 ambi=2 { CB:37.474 } atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } ::sumAvg: 4.71 atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } atom: 104 24N-HB2 B 2.79 ambi=2 { CB:37.474 } :: atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } atom: 105 24N-HB3 B 2.687 ambi=2 { CB:37.474 } ::sumAvg: 4.71 atom: 104 24N-HB2 B 2.79 ambi=2 { CB:37.474 } atom: 2126 27K-QD D 1.677 ambi=2 { CD:29.398 } :: atom: 105 24N-HB3 B 2.687 ambi=2 { CB:37.474 } atom: 2126 27K-QD D 1.677 ambi=2 { CD:29.398 } ::sumAvg: 4.095 atom: 2126 27K-QD D 1.677 ambi=2 { CD:29.398 } atom: 104 24N-HB2 B 2.79 ambi=2 { CB:37.474 } :: atom: 2126 27K-QD D 1.677 ambi=2 { CD:29.398 } atom: 105 24N-HB3 B 2.687 ambi=2 { CB:37.474 } ::sumAvg: 4.095 atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } atom: 109 25A-H N 7.842 ambi=1 { N:123.506 } :: atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } atom: 109 25A-H N 7.842 ambi=1 { N:123.506 } ::sumAvg: 4.77 atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } atom: 109 25A-H N 7.842 ambi=1 { N:123.506 } ::sumAvg: 4.855 atom: 110 25A-HA A 4.242 ambi=1 { CA:55.312 } atom: 126 27K-H N 8.164 ambi=1 { N:116.679 } ::sumAvg: 4.38 atom: 110 25A-HA A 4.242 ambi=1 { CA:55.312 } atom: 136 28D-H N 7.421 ambi=1 { N:118.199 } ::sumAvg: 3.78 atom: 110 25A-HA A 4.242 ambi=1 { CA:55.312 } atom: 138 28D-HB2 B 2.895 ambi=2 { CB:41.33 } :: atom: 110 25A-HA A 4.242 ambi=1 { CA:55.312 } atom: 139 28D-HB3 B 2.954 ambi=2 { CB:41.33 } ::sumAvg: 3.435 atom: 110 25A-HA A 4.242 ambi=1 { CA:55.312 } atom: 143 29L-H N 8.542 ambi=1 { N:121.732 } ::sumAvg: 4.38 atom: 110 25A-HA A 4.242 ambi=1 { CA:55.312 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 4.195 atom: 110 25A-HA A 4.242 ambi=1 { CA:55.312 } atom: 1147 29L-HG G 2.317 ambi=1 { CG:27.33 } ::sumAvg: 4.12 atom: 110 25A-HA A 4.242 ambi=1 { CA:55.312 } atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } ::sumAvg: 4.905 atom: 116 26L-HA A 4.044 ambi=1 { CA:58.307 } atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } ::sumAvg: 3.79 atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } ::sumAvg: 3.97 atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } ::sumAvg: 3.97 atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } :: atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } ::sumAvg: 4.175 atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } atom: 138 28D-HB2 B 2.895 ambi=2 { CB:41.33 } :: atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } atom: 139 28D-HB3 B 2.954 ambi=2 { CB:41.33 } ::sumAvg: 4.685 atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } atom: 143 29L-H N 8.542 ambi=1 { N:121.732 } ::sumAvg: 4.64 atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } ::sumAvg: 4.63 atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } ::sumAvg: 4.63 atom: 1147 29L-HG G 2.317 ambi=1 { CG:27.33 } atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } ::sumAvg: 3.73 atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } ::sumAvg: 3.96 atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } ::sumAvg: 4.89 atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } :: atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } ::sumAvg: 4.575 atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } :: atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } ::sumAvg: 4.575 atom: 111 25A-HB B 1.416 ambi=1 { CB:18.5 } atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } ::sumAvg: 3.635 atom: 118 26L-HG G 1.336 ambi=1 { CG:27.13 } atom: 115 26L-H N 8.691 ambi=1 { N:117.957 } ::sumAvg: 3.425 atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } atom: 115 26L-H N 8.691 ambi=1 { N:117.957 } ::sumAvg: 4.45 atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } atom: 115 26L-H N 8.691 ambi=1 { N:117.957 } :: atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } atom: 115 26L-H N 8.691 ambi=1 { N:117.957 } ::sumAvg: 4.81 atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } atom: 115 26L-H N 8.691 ambi=1 { N:117.957 } ::sumAvg: 3.92 atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } atom: 115 26L-H N 8.691 ambi=1 { N:117.957 } ::sumAvg: 4.89 atom: 116 26L-HA A 4.044 ambi=1 { CA:58.307 } atom: 136 28D-H N 7.421 ambi=1 { N:118.199 } ::sumAvg: 4.32 atom: 116 26L-HA A 4.044 ambi=1 { CA:58.307 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 2.51 atom: 116 26L-HA A 4.044 ambi=1 { CA:58.307 } atom: 1147 29L-HG G 2.317 ambi=1 { CG:27.33 } ::sumAvg: 3.55 atom: 155 30L-HB2 B 1.797 ambi=2 { CB:41.053 } atom: 116 26L-HA A 4.044 ambi=1 { CA:58.307 } :: atom: 156 30L-HB3 B 1.658 ambi=2 { CB:41.053 } atom: 116 26L-HA A 4.044 ambi=1 { CA:58.307 } ::sumAvg: 4.43 atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } atom: 116 26L-HA A 4.044 ambi=1 { CA:58.307 } :: atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } atom: 116 26L-HA A 4.044 ambi=1 { CA:58.307 } ::sumAvg: 4.975 atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } atom: 116 26L-HA A 4.044 ambi=1 { CA:58.307 } ::sumAvg: 4.565 atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } atom: 118 26L-HG G 1.336 ambi=1 { CG:27.13 } ::sumAvg: 2.48 atom: 118 26L-HG G 1.336 ambi=1 { CG:27.13 } atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } ::sumAvg: 2.48 atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } atom: 127 27K-HA A 3.869 ambi=1 { CA:60.275 } :: atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } atom: 127 27K-HA A 3.869 ambi=1 { CA:60.275 } ::sumAvg: 4.72 atom: 127 27K-HA A 3.869 ambi=1 { CA:60.275 } atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } :: atom: 127 27K-HA A 3.869 ambi=1 { CA:60.275 } atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } ::sumAvg: 4.72 atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } ::sumAvg: 4.805 atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } ::sumAvg: 4.805 atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } :: atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } ::sumAvg: 4.265 atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 4.105 atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } ::sumAvg: 4.105 atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } :: atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } ::sumAvg: 4.555 atom: 155 30L-HB2 B 1.797 ambi=2 { CB:41.053 } atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } :: atom: 156 30L-HB3 B 1.658 ambi=2 { CB:41.053 } atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } ::sumAvg: 4.005 atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } :: atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } ::sumAvg: 4.35 atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } :: atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } ::sumAvg: 3.585 atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } :: atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } ::sumAvg: 3.585 atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } :: atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } ::sumAvg: 4.565 atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } :: atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } ::sumAvg: 4.565 atom: 343 49I-HG12 G1 0.586 ambi=2 { CG1:29.577 } atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } :: atom: 344 49I-HG13 G1 1.629 ambi=2 { CG1:29.577 } atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } :: atom: 343 49I-HG12 G1 0.586 ambi=2 { CG1:29.577 } atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } ::sumAvg: 4.685 atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } ::sumAvg: 3.59 atom: 368 52I-HB B 1.606 ambi=1 { CB:37.902 } atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } ::sumAvg: 4.62 atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } :: atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } ::sumAvg: 3.415 atom: 372 52I-HD1 D1 0.513 ambi=2 { CD1:14.061 } atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } :: atom: 372 52I-HD1 D1 0.513 ambi=2 { CD1:14.061 } atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } ::sumAvg: 4.49 atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } atom: 7500 69F-HZ Z 7.072 ambi=2 { CZ:129 } :: atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } atom: 7500 69F-HZ Z 7.072 ambi=2 { CZ:129 } ::sumAvg: 4.065 atom: 117 26L-HB2 B 1.059 ambi=2 { CB:42.28 } atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } :: atom: 1118 26L-HB3 B 1.926 ambi=2 { CB:42.28 } atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } ::sumAvg: 4.55 atom: 118 26L-HG G 1.336 ambi=1 { CG:27.13 } atom: 126 27K-H N 8.164 ambi=1 { N:116.679 } ::sumAvg: 3.975 atom: 118 26L-HG G 1.336 ambi=1 { CG:27.13 } atom: 127 27K-HA A 3.869 ambi=1 { CA:60.275 } ::sumAvg: 4.985 atom: 127 27K-HA A 3.869 ambi=1 { CA:60.275 } atom: 118 26L-HG G 1.336 ambi=1 { CG:27.13 } ::sumAvg: 4.985 atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } atom: 118 26L-HG G 1.336 ambi=1 { CG:27.13 } ::sumAvg: 4.675 atom: 118 26L-HG G 1.336 ambi=1 { CG:27.13 } atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } :: atom: 118 26L-HG G 1.336 ambi=1 { CG:27.13 } atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } ::sumAvg: 4.705 atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } atom: 118 26L-HG G 1.336 ambi=1 { CG:27.13 } :: atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } atom: 118 26L-HG G 1.336 ambi=1 { CG:27.13 } ::sumAvg: 4.705 atom: 118 26L-HG G 1.336 ambi=1 { CG:27.13 } atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } ::sumAvg: 4.905 atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } atom: 118 26L-HG G 1.336 ambi=1 { CG:27.13 } ::sumAvg: 4.905 atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } atom: 118 26L-HG G 1.336 ambi=1 { CG:27.13 } ::sumAvg: 4.215 atom: 118 26L-HG G 1.336 ambi=1 { CG:27.13 } atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } ::sumAvg: 4.615 atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } atom: 126 27K-H N 8.164 ambi=1 { N:116.679 } :: atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } atom: 126 27K-H N 8.164 ambi=1 { N:116.679 } ::sumAvg: 3.355 atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } atom: 127 27K-HA A 3.869 ambi=1 { CA:60.275 } :: atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } atom: 127 27K-HA A 3.869 ambi=1 { CA:60.275 } ::sumAvg: 4.65 atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } :: atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } ::sumAvg: 4.525 atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } :: atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } ::sumAvg: 4.525 atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } atom: 143 29L-H N 8.542 ambi=1 { N:121.732 } :: atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } atom: 143 29L-H N 8.542 ambi=1 { N:121.732 } ::sumAvg: 4.68 atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 3.23 atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } ::sumAvg: 3.23 atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } :: atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } ::sumAvg: 4.175 atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } atom: 238 38L-HB2 B 1.685 ambi=2 { CB:41.756 } :: atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } atom: 239 38L-HB3 B 1.508 ambi=2 { CB:41.756 } :: atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } atom: 238 38L-HB2 B 1.685 ambi=2 { CB:41.756 } :: atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } atom: 239 38L-HB3 B 1.508 ambi=2 { CB:41.756 } ::sumAvg: 4.265 atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } atom: 1271 42C-QB B 1.563 ambi=2 { CB:27.562 } :: atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } atom: 1271 42C-QB B 1.563 ambi=2 { CB:27.562 } ::sumAvg: 3.965 atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } atom: 292 44L-HB2 B 1.249 ambi=2 { CB:43.638 } :: atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } atom: 293 44L-HB3 B 1.449 ambi=2 { CB:43.638 } :: atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } atom: 292 44L-HB2 B 1.249 ambi=2 { CB:43.638 } :: atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } atom: 293 44L-HB3 B 1.449 ambi=2 { CB:43.638 } ::sumAvg: 4.49 atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } :: atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } :: atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } :: atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } ::sumAvg: 4.46 atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } atom: 342 49I-HB B 1.779 ambi=1 { CB:38.457 } :: atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } atom: 342 49I-HB B 1.779 ambi=1 { CB:38.457 } ::sumAvg: 4.555 atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } atom: 366 52I-H N 7.987 ambi=1 { N:120.449 } :: atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } atom: 366 52I-H N 7.987 ambi=1 { N:120.449 } ::sumAvg: 4.58 atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } atom: 370 52I-HG13 G1 1.685 ambi=2 { CG1:29.069 } :: atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } atom: 370 52I-HG13 G1 1.685 ambi=2 { CG1:29.069 } ::sumAvg: 4.43 atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } :: atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } :: atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } :: atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } ::sumAvg: 4.93 atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } :: atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } :: atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } :: atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } ::sumAvg: 4.93 atom: 119 26L-HD1 D1 0.791 ambi=2 { CD1:24.667 } atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } :: atom: 1119 26L-HD2 D2 0.551 ambi=2 { CD2:26.93 } atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } ::sumAvg: 3.565 atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } atom: 126 27K-H N 8.164 ambi=1 { N:116.679 } ::sumAvg: 4.605 atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } atom: 126 27K-H N 8.164 ambi=1 { N:116.679 } :: atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } atom: 126 27K-H N 8.164 ambi=1 { N:116.679 } ::sumAvg: 4.41 atom: 127 27K-HA A 3.869 ambi=1 { CA:60.275 } atom: 2126 27K-QD D 1.677 ambi=2 { CD:29.398 } ::sumAvg: 4.105 atom: 127 27K-HA A 3.869 ambi=1 { CA:60.275 } atom: 137 28D-HA A 4.483 ambi=1 { CA:57.708 } ::sumAvg: 4.7 atom: 137 28D-HA A 4.483 ambi=1 { CA:57.708 } atom: 127 27K-HA A 3.869 ambi=1 { CA:60.275 } ::sumAvg: 4.7 atom: 127 27K-HA A 3.869 ambi=1 { CA:60.275 } atom: 143 29L-H N 8.542 ambi=1 { N:121.732 } ::sumAvg: 4.505 atom: 127 27K-HA A 3.869 ambi=1 { CA:60.275 } atom: 165 31K-H N 7.356 ambi=1 { N:118.384 } ::sumAvg: 4.345 atom: 127 27K-HA A 3.869 ambi=1 { CA:60.275 } atom: 167 31K-QB B 1.887 ambi=2 { CB:32.407 } ::sumAvg: 4.57 atom: 167 31K-QB B 1.887 ambi=2 { CB:32.407 } atom: 127 27K-HA A 3.869 ambi=1 { CA:60.275 } ::sumAvg: 4.57 atom: 127 27K-HA A 3.869 ambi=1 { CA:60.275 } atom: 171 31K-QD D 1.758 ambi=2 { CD:29.28 } ::sumAvg: 4.975 atom: 171 31K-QD D 1.758 ambi=2 { CD:29.28 } atom: 127 27K-HA A 3.869 ambi=1 { CA:60.275 } ::sumAvg: 4.975 atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } atom: 137 28D-HA A 4.483 ambi=1 { CA:57.708 } ::sumAvg: 4.3 atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } atom: 143 29L-H N 8.542 ambi=1 { N:121.732 } ::sumAvg: 4.825 atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } atom: 380 53V-HA A 3.654 ambi=1 { CA:66.061 } ::sumAvg: 4.74 atom: 380 53V-HA A 3.654 ambi=1 { CA:66.061 } atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } ::sumAvg: 4.74 atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } :: atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } atom: 128 27K-QB B 1.861 ambi=2 { CB:31.716 } ::sumAvg: 3.85 atom: 2126 27K-QD D 1.677 ambi=2 { CD:29.398 } atom: 136 28D-H N 7.421 ambi=1 { N:118.199 } ::sumAvg: 4.575 atom: 2126 27K-QD D 1.677 ambi=2 { CD:29.398 } atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } :: atom: 2126 27K-QD D 1.677 ambi=2 { CD:29.398 } atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } ::sumAvg: 4.185 atom: 2128 27K-HG2 G 1.436 ambi=2 { CG:25.76 } atom: 136 28D-H N 7.421 ambi=1 { N:118.199 } :: atom: 2129 27K-HG3 G 1.718 ambi=2 { CG:25.76 } atom: 136 28D-H N 7.421 ambi=1 { N:118.199 } ::sumAvg: 3.61 atom: 2128 27K-HG2 G 1.436 ambi=2 { CG:25.76 } atom: 173 31K-QE E 3.025 ambi=2 { CE:42.211 } :: atom: 2129 27K-HG3 G 1.718 ambi=2 { CG:25.76 } atom: 173 31K-QE E 3.025 ambi=2 { CE:42.211 } ::sumAvg: 4.395 atom: 2128 27K-HG2 G 1.436 ambi=2 { CG:25.76 } atom: 380 53V-HA A 3.654 ambi=1 { CA:66.061 } :: atom: 2129 27K-HG3 G 1.718 ambi=2 { CG:25.76 } atom: 380 53V-HA A 3.654 ambi=1 { CA:66.061 } ::sumAvg: 4.665 atom: 2128 27K-HG2 G 1.436 ambi=2 { CG:25.76 } atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } :: atom: 2128 27K-HG2 G 1.436 ambi=2 { CG:25.76 } atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } :: atom: 2129 27K-HG3 G 1.718 ambi=2 { CG:25.76 } atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } :: atom: 2129 27K-HG3 G 1.718 ambi=2 { CG:25.76 } atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } ::sumAvg: 3.47 atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } atom: 136 28D-H N 7.421 ambi=1 { N:118.199 } :: atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } atom: 136 28D-H N 7.421 ambi=1 { N:118.199 } ::sumAvg: 4.43 atom: 1147 29L-HG G 2.317 ambi=1 { CG:27.33 } atom: 136 28D-H N 7.421 ambi=1 { N:118.199 } ::sumAvg: 4.405 atom: 137 28D-HA A 4.483 ambi=1 { CA:57.708 } atom: 143 29L-H N 8.542 ambi=1 { N:121.732 } ::sumAvg: 3.52 atom: 137 28D-HA A 4.483 ambi=1 { CA:57.708 } atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } ::sumAvg: 4.78 atom: 137 28D-HA A 4.483 ambi=1 { CA:57.708 } atom: 165 31K-H N 7.356 ambi=1 { N:118.384 } ::sumAvg: 3.92 atom: 167 31K-QB B 1.887 ambi=2 { CB:32.407 } atom: 137 28D-HA A 4.483 ambi=1 { CA:57.708 } ::sumAvg: 2.935 atom: 137 28D-HA A 4.483 ambi=1 { CA:57.708 } atom: 173 31K-QE E 3.025 ambi=2 { CE:42.211 } ::sumAvg: 4.12 atom: 138 28D-HB2 B 2.895 ambi=2 { CB:41.33 } atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } :: atom: 138 28D-HB2 B 2.895 ambi=2 { CB:41.33 } atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } :: atom: 139 28D-HB3 B 2.954 ambi=2 { CB:41.33 } atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } :: atom: 139 28D-HB3 B 2.954 ambi=2 { CB:41.33 } atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } ::sumAvg: 4.91 atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } atom: 138 28D-HB2 B 2.895 ambi=2 { CB:41.33 } :: atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } atom: 138 28D-HB2 B 2.895 ambi=2 { CB:41.33 } :: atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } atom: 139 28D-HB3 B 2.954 ambi=2 { CB:41.33 } :: atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } atom: 139 28D-HB3 B 2.954 ambi=2 { CB:41.33 } ::sumAvg: 4.91 atom: 138 28D-HB2 B 2.895 ambi=2 { CB:41.33 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } :: atom: 139 28D-HB3 B 2.954 ambi=2 { CB:41.33 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 4.085 atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } atom: 138 28D-HB2 B 2.895 ambi=2 { CB:41.33 } :: atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } atom: 139 28D-HB3 B 2.954 ambi=2 { CB:41.33 } ::sumAvg: 4.085 atom: 138 28D-HB2 B 2.895 ambi=2 { CB:41.33 } atom: 1147 29L-HG G 2.317 ambi=1 { CG:27.33 } :: atom: 139 28D-HB3 B 2.954 ambi=2 { CB:41.33 } atom: 1147 29L-HG G 2.317 ambi=1 { CG:27.33 } ::sumAvg: 3.555 atom: 1147 29L-HG G 2.317 ambi=1 { CG:27.33 } atom: 138 28D-HB2 B 2.895 ambi=2 { CB:41.33 } :: atom: 1147 29L-HG G 2.317 ambi=1 { CG:27.33 } atom: 139 28D-HB3 B 2.954 ambi=2 { CB:41.33 } ::sumAvg: 3.555 atom: 138 28D-HB2 B 2.895 ambi=2 { CB:41.33 } atom: 167 31K-QB B 1.887 ambi=2 { CB:32.407 } :: atom: 139 28D-HB3 B 2.954 ambi=2 { CB:41.33 } atom: 167 31K-QB B 1.887 ambi=2 { CB:32.407 } ::sumAvg: 4.56 atom: 138 28D-HB2 B 2.895 ambi=2 { CB:41.33 } atom: 171 31K-QD D 1.758 ambi=2 { CD:29.28 } :: atom: 139 28D-HB3 B 2.954 ambi=2 { CB:41.33 } atom: 171 31K-QD D 1.758 ambi=2 { CD:29.28 } ::sumAvg: 4.51 atom: 171 31K-QD D 1.758 ambi=2 { CD:29.28 } atom: 138 28D-HB2 B 2.895 ambi=2 { CB:41.33 } :: atom: 171 31K-QD D 1.758 ambi=2 { CD:29.28 } atom: 139 28D-HB3 B 2.954 ambi=2 { CB:41.33 } ::sumAvg: 4.51 atom: 155 30L-HB2 B 1.797 ambi=2 { CB:41.053 } atom: 143 29L-H N 8.542 ambi=1 { N:121.732 } :: atom: 156 30L-HB3 B 1.658 ambi=2 { CB:41.053 } atom: 143 29L-H N 8.542 ambi=1 { N:121.732 } ::sumAvg: 4.69 atom: 167 31K-QB B 1.887 ambi=2 { CB:32.407 } atom: 143 29L-H N 8.542 ambi=1 { N:121.732 } ::sumAvg: 4.905 atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } atom: 143 29L-H N 8.542 ambi=1 { N:121.732 } :: atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } atom: 143 29L-H N 8.542 ambi=1 { N:121.732 } ::sumAvg: 4.79 atom: 144 29L-HA A 4.285 ambi=1 { CA:58.11 } atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } ::sumAvg: 4.72 atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 144 29L-HA A 4.285 ambi=1 { CA:58.11 } ::sumAvg: 4.72 atom: 144 29L-HA A 4.285 ambi=1 { CA:58.11 } atom: 165 31K-H N 7.356 ambi=1 { N:118.384 } ::sumAvg: 4.255 atom: 144 29L-HA A 4.285 ambi=1 { CA:58.11 } atom: 167 31K-QB B 1.887 ambi=2 { CB:32.407 } ::sumAvg: 4.785 atom: 144 29L-HA A 4.285 ambi=1 { CA:58.11 } atom: 182 32D-H N 7.531 ambi=1 { N:115.412 } ::sumAvg: 4.375 atom: 144 29L-HA A 4.285 ambi=1 { CA:58.11 } atom: 184 32D-HB2 B 2.823 ambi=2 { CB:43.536 } :: atom: 144 29L-HA A 4.285 ambi=1 { CA:58.11 } atom: 185 32D-HB3 B 2.673 ambi=2 { CB:43.536 } ::sumAvg: 4.885 atom: 184 32D-HB2 B 2.823 ambi=2 { CB:43.536 } atom: 144 29L-HA A 4.285 ambi=1 { CA:58.11 } :: atom: 185 32D-HB3 B 2.673 ambi=2 { CB:43.536 } atom: 144 29L-HA A 4.285 ambi=1 { CA:58.11 } ::sumAvg: 4.885 atom: 144 29L-HA A 4.285 ambi=1 { CA:58.11 } atom: 189 33M-H N 7.912 ambi=1 { N:118.971 } ::sumAvg: 4.74 atom: 144 29L-HA A 4.285 ambi=1 { CA:58.11 } atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } :: atom: 144 29L-HA A 4.285 ambi=1 { CA:58.11 } atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } ::sumAvg: 4.725 atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } atom: 144 29L-HA A 4.285 ambi=1 { CA:58.11 } :: atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } atom: 144 29L-HA A 4.285 ambi=1 { CA:58.11 } ::sumAvg: 4.725 atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } atom: 1147 29L-HG G 2.317 ambi=1 { CG:27.33 } ::sumAvg: 2.475 atom: 1147 29L-HG G 2.317 ambi=1 { CG:27.33 } atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } ::sumAvg: 2.475 atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } :: atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } ::sumAvg: 4.315 atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } :: atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } ::sumAvg: 4.315 atom: 156 30L-HB3 B 1.658 ambi=2 { CB:41.053 } atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } ::sumAvg: 4.26 atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } atom: 165 31K-H N 7.356 ambi=1 { N:118.384 } :: atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } atom: 165 31K-H N 7.356 ambi=1 { N:118.384 } ::sumAvg: 4.75 atom: 192 33M-HB3 B 2.108 ambi=2 { CB:36.099 } atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } ::sumAvg: 4.63 atom: 8198 33M-HE E 2.116 ambi=1 { CE:16.71 } atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } ::sumAvg: 4.275 atom: 238 38L-HB2 B 1.685 ambi=2 { CB:41.756 } atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } :: atom: 239 38L-HB3 B 1.508 ambi=2 { CB:41.756 } atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } ::sumAvg: 4.66 atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } atom: 7500 69F-HZ Z 7.072 ambi=2 { CZ:129 } :: atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } atom: 7500 69F-HZ Z 7.072 ambi=2 { CZ:129 } ::sumAvg: 4.6 atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } :: atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } ::sumAvg: 4.83 atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } atom: 9937 72W-HH2 H2 6.247 ambi=1 { CH2:123.1 } :: atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } atom: 9937 72W-HH2 H2 6.247 ambi=1 { CH2:123.1 } ::sumAvg: 4.065 atom: 145 29L-HB2 B 1.657 ambi=2 { CB:43.179 } atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } :: atom: 146 29L-HB3 B 2.178 ambi=2 { CB:43.179 } atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } ::sumAvg: 4.545 atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } ::sumAvg: 4.035 atom: 191 33M-HB2 B 1.961 ambi=2 { CB:36.099 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } :: atom: 192 33M-HB3 B 2.108 ambi=2 { CB:36.099 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 4.81 atom: 238 38L-HB2 B 1.685 ambi=2 { CB:41.756 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 4.74 atom: 4236 38L-HG G 1.6 ambi=1 { CG:27.76 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 4.97 atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } ::sumAvg: 4.98 atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 4.98 atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } atom: 7500 69F-HZ Z 7.072 ambi=2 { CZ:129 } ::sumAvg: 2.125 atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } ::sumAvg: 2.665 atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } atom: 9934 72W-HZ2 Z2 6.345 ambi=1 { CZ2:114.3 } ::sumAvg: 4.305 atom: 537 73Y-HA A 2.84 ambi=1 { CA:61.352 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 4.065 atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } :: atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } ::sumAvg: 3.69 atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } ::sumAvg: 2.435 atom: 147 29L-QD D 1.171 ambi=2 { QCD:24.065 } atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } ::sumAvg: 3.105 atom: 1147 29L-HG G 2.317 ambi=1 { CG:27.33 } atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } ::sumAvg: 4.465 atom: 1147 29L-HG G 2.317 ambi=1 { CG:27.33 } atom: 7500 69F-HZ Z 7.072 ambi=2 { CZ:129 } ::sumAvg: 4.355 atom: 1147 29L-HG G 2.317 ambi=1 { CG:27.33 } atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } ::sumAvg: 4.665 atom: 1147 29L-HG G 2.317 ambi=1 { CG:27.33 } atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } ::sumAvg: 4.27 atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } ::sumAvg: 2.88 atom: 166 31K-HA A 4.16 ambi=1 { CA:58.914 } atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } ::sumAvg: 4.97 atom: 167 31K-QB B 1.887 ambi=2 { CB:32.407 } atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } ::sumAvg: 4.4 atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } :: atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } ::sumAvg: 3.625 atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } ::sumAvg: 4.94 atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } :: atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } atom: 153 30L-H N 8.375 ambi=1 { N:116.988 } ::sumAvg: 4.96 atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 155 30L-HB2 B 1.797 ambi=2 { CB:41.053 } :: atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 156 30L-HB3 B 1.658 ambi=2 { CB:41.053 } ::sumAvg: 2.565 atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 157 30L-HG G 1.799 ambi=1 { CG:27.24 } ::sumAvg: 2.955 atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } :: atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } ::sumAvg: 1.905 atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 165 31K-H N 7.356 ambi=1 { N:118.384 } ::sumAvg: 3.27 atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 166 31K-HA A 4.16 ambi=1 { CA:58.914 } ::sumAvg: 4.855 atom: 166 31K-HA A 4.16 ambi=1 { CA:58.914 } atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } ::sumAvg: 4.855 atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 182 32D-H N 7.531 ambi=1 { N:115.412 } ::sumAvg: 4.08 atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 189 33M-H N 7.912 ambi=1 { N:118.971 } ::sumAvg: 3.265 atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 191 33M-HB2 B 1.961 ambi=2 { CB:36.099 } :: atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 192 33M-HB3 B 2.108 ambi=2 { CB:36.099 } ::sumAvg: 3.645 atom: 191 33M-HB2 B 1.961 ambi=2 { CB:36.099 } atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } :: atom: 192 33M-HB3 B 2.108 ambi=2 { CB:36.099 } atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } ::sumAvg: 3.645 atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 193 33M-HG2 G 2.511 ambi=2 { CG:30.747 } :: atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 194 33M-HG3 G 2.609 ambi=2 { CG:30.747 } ::sumAvg: 4.615 atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 8198 33M-HE E 2.116 ambi=1 { CE:16.71 } ::sumAvg: 4.855 atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 210 35Q-HA A 3.796 ambi=1 { CA:60.248 } ::sumAvg: 4.895 atom: 210 35Q-HA A 3.796 ambi=1 { CA:60.248 } atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } ::sumAvg: 4.895 atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 238 38L-HB2 B 1.685 ambi=2 { CB:41.756 } :: atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 239 38L-HB3 B 1.508 ambi=2 { CB:41.756 } ::sumAvg: 4.67 atom: 238 38L-HB2 B 1.685 ambi=2 { CB:41.756 } atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } :: atom: 239 38L-HB3 B 1.508 ambi=2 { CB:41.756 } atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } ::sumAvg: 4.67 atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } :: atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } ::sumAvg: 3.235 atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } :: atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } ::sumAvg: 3.235 atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } ::sumAvg: 4.925 atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } atom: 154 30L-HA A 4.751 ambi=1 { CA:56.132 } ::sumAvg: 4.925 atom: 155 30L-HB2 B 1.797 ambi=2 { CB:41.053 } atom: 165 31K-H N 7.356 ambi=1 { N:118.384 } :: atom: 156 30L-HB3 B 1.658 ambi=2 { CB:41.053 } atom: 165 31K-H N 7.356 ambi=1 { N:118.384 } ::sumAvg: 3.395 atom: 155 30L-HB2 B 1.797 ambi=2 { CB:41.053 } atom: 166 31K-HA A 4.16 ambi=1 { CA:58.914 } :: atom: 156 30L-HB3 B 1.658 ambi=2 { CB:41.053 } atom: 166 31K-HA A 4.16 ambi=1 { CA:58.914 } ::sumAvg: 4.435 atom: 155 30L-HB2 B 1.797 ambi=2 { CB:41.053 } atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } :: atom: 155 30L-HB2 B 1.797 ambi=2 { CB:41.053 } atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } :: atom: 156 30L-HB3 B 1.658 ambi=2 { CB:41.053 } atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } :: atom: 156 30L-HB3 B 1.658 ambi=2 { CB:41.053 } atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } ::sumAvg: 3.27 atom: 157 30L-HG G 1.799 ambi=1 { CG:27.24 } atom: 165 31K-H N 7.356 ambi=1 { N:118.384 } ::sumAvg: 4.68 atom: 210 35Q-HA A 3.796 ambi=1 { CA:60.248 } atom: 157 30L-HG G 1.799 ambi=1 { CG:27.24 } ::sumAvg: 4.945 atom: 157 30L-HG G 1.799 ambi=1 { CG:27.24 } atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } ::sumAvg: 4.61 atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } atom: 157 30L-HG G 1.799 ambi=1 { CG:27.24 } ::sumAvg: 4.61 atom: 157 30L-HG G 1.799 ambi=1 { CG:27.24 } atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } :: atom: 157 30L-HG G 1.799 ambi=1 { CG:27.24 } atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } ::sumAvg: 3.78 atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } atom: 157 30L-HG G 1.799 ambi=1 { CG:27.24 } :: atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } atom: 157 30L-HG G 1.799 ambi=1 { CG:27.24 } ::sumAvg: 3.78 atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } atom: 165 31K-H N 7.356 ambi=1 { N:118.384 } :: atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } atom: 165 31K-H N 7.356 ambi=1 { N:118.384 } ::sumAvg: 4.535 atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } atom: 189 33M-H N 7.912 ambi=1 { N:118.971 } :: atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } atom: 189 33M-H N 7.912 ambi=1 { N:118.971 } ::sumAvg: 4.2 atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } atom: 193 33M-HG2 G 2.511 ambi=2 { CG:30.747 } :: atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } atom: 194 33M-HG3 G 2.609 ambi=2 { CG:30.747 } :: atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } atom: 193 33M-HG2 G 2.511 ambi=2 { CG:30.747 } :: atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } atom: 194 33M-HG3 G 2.609 ambi=2 { CG:30.747 } ::sumAvg: 4.645 atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } atom: 8198 33M-HE E 2.116 ambi=1 { CE:16.71 } :: atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } atom: 8198 33M-HE E 2.116 ambi=1 { CE:16.71 } ::sumAvg: 4.465 atom: 8198 33M-HE E 2.116 ambi=1 { CE:16.71 } atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } :: atom: 8198 33M-HE E 2.116 ambi=1 { CE:16.71 } atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } ::sumAvg: 4.465 atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } atom: 199 34N-H N 8.208 ambi=1 { N:116.256 } :: atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } atom: 199 34N-H N 8.208 ambi=1 { N:116.256 } ::sumAvg: 4.85 atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } atom: 201 34N-HB2 B 3.132 ambi=2 { CB:39.349 } :: atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } atom: 202 34N-HB3 B 2.862 ambi=2 { CB:39.349 } :: atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } atom: 201 34N-HB2 B 3.132 ambi=2 { CB:39.349 } :: atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } atom: 202 34N-HB3 B 2.862 ambi=2 { CB:39.349 } ::sumAvg: 4.77 atom: 201 34N-HB2 B 3.132 ambi=2 { CB:39.349 } atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } :: atom: 202 34N-HB3 B 2.862 ambi=2 { CB:39.349 } atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } :: atom: 201 34N-HB2 B 3.132 ambi=2 { CB:39.349 } atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } :: atom: 202 34N-HB3 B 2.862 ambi=2 { CB:39.349 } atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } ::sumAvg: 4.77 atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } atom: 209 35Q-H N 8.858 ambi=1 { N:119.983 } :: atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } atom: 209 35Q-H N 8.858 ambi=1 { N:119.983 } ::sumAvg: 3.015 atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } atom: 215 35Q-HE21 E2 6.74 ambi=2 { NE2:109.7 } :: atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } atom: 216 35Q-HE22 E2 7.228 ambi=2 { NE2:109.7 } :: atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } atom: 215 35Q-HE21 E2 6.74 ambi=2 { NE2:109.7 } :: atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } atom: 216 35Q-HE22 E2 7.228 ambi=2 { NE2:109.7 } ::sumAvg: 3.995 atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } atom: 236 38L-H N 8.106 ambi=1 { N:122.957 } :: atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } atom: 236 38L-H N 8.106 ambi=1 { N:122.957 } ::sumAvg: 4.19 atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } atom: 4236 38L-HG G 1.6 ambi=1 { CG:27.76 } :: atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } atom: 4236 38L-HG G 1.6 ambi=1 { CG:27.76 } ::sumAvg: 4.79 atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } atom: 354 50S-HA A 3.979 ambi=1 { CA:61.749 } :: atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } atom: 354 50S-HA A 3.979 ambi=1 { CA:61.749 } ::sumAvg: 3.795 atom: 354 50S-HA A 3.979 ambi=1 { CA:61.749 } atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } :: atom: 354 50S-HA A 3.979 ambi=1 { CA:61.749 } atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } ::sumAvg: 3.795 atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } atom: 379 53V-H N 8.303 ambi=1 { N:115.656 } :: atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } atom: 379 53V-H N 8.303 ambi=1 { N:115.656 } ::sumAvg: 4.725 atom: 381 53V-HB B 2.054 ambi=1 { CB:31.767 } atom: 158 30L-HD2 D2 0.774 ambi=2 { CD2:26.18 } :: atom: 381 53V-HB B 2.054 ambi=1 { CB:31.767 } atom: 7158 30L-HD1 D1 0.812 ambi=2 { CD1:23.113 } ::sumAvg: 3.295 atom: 166 31K-HA A 4.16 ambi=1 { CA:58.914 } atom: 173 31K-QE E 3.025 ambi=2 { CE:42.211 } ::sumAvg: 4.6 atom: 173 31K-QE E 3.025 ambi=2 { CE:42.211 } atom: 166 31K-HA A 4.16 ambi=1 { CA:58.914 } ::sumAvg: 4.6 atom: 166 31K-HA A 4.16 ambi=1 { CA:58.914 } atom: 183 32D-HA A 4.898 ambi=1 { CA:54.685 } ::sumAvg: 4.615 atom: 183 32D-HA A 4.898 ambi=1 { CA:54.685 } atom: 166 31K-HA A 4.16 ambi=1 { CA:58.914 } ::sumAvg: 4.615 atom: 166 31K-HA A 4.16 ambi=1 { CA:58.914 } atom: 189 33M-H N 7.912 ambi=1 { N:118.971 } ::sumAvg: 4.64 atom: 167 31K-QB B 1.887 ambi=2 { CB:32.407 } atom: 173 31K-QE E 3.025 ambi=2 { CE:42.211 } ::sumAvg: 3.545 atom: 167 31K-QB B 1.887 ambi=2 { CB:32.407 } atom: 183 32D-HA A 4.898 ambi=1 { CA:54.685 } ::sumAvg: 4.23 atom: 183 32D-HA A 4.898 ambi=1 { CA:54.685 } atom: 167 31K-QB B 1.887 ambi=2 { CB:32.407 } ::sumAvg: 4.23 atom: 167 31K-QB B 1.887 ambi=2 { CB:32.407 } atom: 184 32D-HB2 B 2.823 ambi=2 { CB:43.536 } :: atom: 167 31K-QB B 1.887 ambi=2 { CB:32.407 } atom: 185 32D-HB3 B 2.673 ambi=2 { CB:43.536 } ::sumAvg: 4.205 atom: 184 32D-HB2 B 2.823 ambi=2 { CB:43.536 } atom: 167 31K-QB B 1.887 ambi=2 { CB:32.407 } :: atom: 185 32D-HB3 B 2.673 ambi=2 { CB:43.536 } atom: 167 31K-QB B 1.887 ambi=2 { CB:32.407 } ::sumAvg: 4.205 atom: 169 31K-HG2 G 1.497 ambi=2 { CG:24.89 } atom: 182 32D-H N 7.531 ambi=1 { N:115.412 } :: atom: 170 31K-HG3 G 1.745 ambi=2 { CG:24.89 } atom: 182 32D-H N 7.531 ambi=1 { N:115.412 } ::sumAvg: 4.03 atom: 171 31K-QD D 1.758 ambi=2 { CD:29.28 } atom: 182 32D-H N 7.531 ambi=1 { N:115.412 } ::sumAvg: 4.625 atom: 191 33M-HB2 B 1.961 ambi=2 { CB:36.099 } atom: 182 32D-H N 7.531 ambi=1 { N:115.412 } :: atom: 192 33M-HB3 B 2.108 ambi=2 { CB:36.099 } atom: 182 32D-H N 7.531 ambi=1 { N:115.412 } ::sumAvg: 4.555 atom: 184 32D-HB2 B 2.823 ambi=2 { CB:43.536 } atom: 190 33M-HA A 4.668 ambi=1 { CA:54.747 } :: atom: 185 32D-HB3 B 2.673 ambi=2 { CB:43.536 } atom: 190 33M-HA A 4.668 ambi=1 { CA:54.747 } ::sumAvg: 4.695 atom: 8198 33M-HE E 2.116 ambi=1 { CE:16.71 } atom: 189 33M-H N 7.912 ambi=1 { N:118.971 } ::sumAvg: 4.435 atom: 190 33M-HA A 4.668 ambi=1 { CA:54.747 } atom: 193 33M-HG2 G 2.511 ambi=2 { CG:30.747 } :: atom: 190 33M-HA A 4.668 ambi=1 { CA:54.747 } atom: 194 33M-HG3 G 2.609 ambi=2 { CG:30.747 } ::sumAvg: 3.12 atom: 190 33M-HA A 4.668 ambi=1 { CA:54.747 } atom: 201 34N-HB2 B 3.132 ambi=2 { CB:39.349 } :: atom: 190 33M-HA A 4.668 ambi=1 { CA:54.747 } atom: 202 34N-HB3 B 2.862 ambi=2 { CB:39.349 } ::sumAvg: 4.675 atom: 201 34N-HB2 B 3.132 ambi=2 { CB:39.349 } atom: 190 33M-HA A 4.668 ambi=1 { CA:54.747 } :: atom: 202 34N-HB3 B 2.862 ambi=2 { CB:39.349 } atom: 190 33M-HA A 4.668 ambi=1 { CA:54.747 } ::sumAvg: 4.675 atom: 190 33M-HA A 4.668 ambi=1 { CA:54.747 } atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } ::sumAvg: 4.31 atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } atom: 190 33M-HA A 4.668 ambi=1 { CA:54.747 } ::sumAvg: 4.31 atom: 191 33M-HB2 B 1.961 ambi=2 { CB:36.099 } atom: 200 34N-HA A 4.837 ambi=1 { CA:52.054 } :: atom: 192 33M-HB3 B 2.108 ambi=2 { CB:36.099 } atom: 200 34N-HA A 4.837 ambi=1 { CA:52.054 } ::sumAvg: 4.905 atom: 191 33M-HB2 B 1.961 ambi=2 { CB:36.099 } atom: 236 38L-H N 8.106 ambi=1 { N:122.957 } :: atom: 192 33M-HB3 B 2.108 ambi=2 { CB:36.099 } atom: 236 38L-H N 8.106 ambi=1 { N:122.957 } ::sumAvg: 4.2 atom: 191 33M-HB2 B 1.961 ambi=2 { CB:36.099 } atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } :: atom: 192 33M-HB3 B 2.108 ambi=2 { CB:36.099 } atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } ::sumAvg: 4.96 atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } atom: 191 33M-HB2 B 1.961 ambi=2 { CB:36.099 } :: atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } atom: 192 33M-HB3 B 2.108 ambi=2 { CB:36.099 } ::sumAvg: 4.96 atom: 193 33M-HG2 G 2.511 ambi=2 { CG:30.747 } atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } :: atom: 194 33M-HG3 G 2.609 ambi=2 { CG:30.747 } atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } ::sumAvg: 3.875 atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } atom: 193 33M-HG2 G 2.511 ambi=2 { CG:30.747 } :: atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } atom: 194 33M-HG3 G 2.609 ambi=2 { CG:30.747 } ::sumAvg: 3.875 atom: 193 33M-HG2 G 2.511 ambi=2 { CG:30.747 } atom: 236 38L-H N 8.106 ambi=1 { N:122.957 } :: atom: 194 33M-HG3 G 2.609 ambi=2 { CG:30.747 } atom: 236 38L-H N 8.106 ambi=1 { N:122.957 } ::sumAvg: 4.375 atom: 193 33M-HG2 G 2.511 ambi=2 { CG:30.747 } atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } :: atom: 194 33M-HG3 G 2.609 ambi=2 { CG:30.747 } atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } ::sumAvg: 4.735 atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } atom: 193 33M-HG2 G 2.511 ambi=2 { CG:30.747 } :: atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } atom: 194 33M-HG3 G 2.609 ambi=2 { CG:30.747 } ::sumAvg: 4.735 atom: 193 33M-HG2 G 2.511 ambi=2 { CG:30.747 } atom: 4236 38L-HG G 1.6 ambi=1 { CG:27.76 } :: atom: 194 33M-HG3 G 2.609 ambi=2 { CG:30.747 } atom: 4236 38L-HG G 1.6 ambi=1 { CG:27.76 } ::sumAvg: 4.845 atom: 4236 38L-HG G 1.6 ambi=1 { CG:27.76 } atom: 193 33M-HG2 G 2.511 ambi=2 { CG:30.747 } :: atom: 4236 38L-HG G 1.6 ambi=1 { CG:27.76 } atom: 194 33M-HG3 G 2.609 ambi=2 { CG:30.747 } ::sumAvg: 4.845 atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } atom: 193 33M-HG2 G 2.511 ambi=2 { CG:30.747 } :: atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } atom: 193 33M-HG2 G 2.511 ambi=2 { CG:30.747 } :: atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } atom: 194 33M-HG3 G 2.609 ambi=2 { CG:30.747 } :: atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } atom: 194 33M-HG3 G 2.609 ambi=2 { CG:30.747 } ::sumAvg: 3.855 atom: 8198 33M-HE E 2.116 ambi=1 { CE:16.71 } atom: 199 34N-H N 8.208 ambi=1 { N:116.256 } ::sumAvg: 4.59 atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } atom: 8198 33M-HE E 2.116 ambi=1 { CE:16.71 } ::sumAvg: 3.545 atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } atom: 8198 33M-HE E 2.116 ambi=1 { CE:16.71 } ::sumAvg: 3.32 atom: 8198 33M-HE E 2.116 ambi=1 { CE:16.71 } atom: 238 38L-HB2 B 1.685 ambi=2 { CB:41.756 } :: atom: 8198 33M-HE E 2.116 ambi=1 { CE:16.71 } atom: 239 38L-HB3 B 1.508 ambi=2 { CB:41.756 } ::sumAvg: 4.08 atom: 8198 33M-HE E 2.116 ambi=1 { CE:16.71 } atom: 4236 38L-HG G 1.6 ambi=1 { CG:27.76 } ::sumAvg: 4.59 atom: 8198 33M-HE E 2.116 ambi=1 { CE:16.71 } atom: 9934 72W-HZ2 Z2 6.345 ambi=1 { CZ2:114.3 } ::sumAvg: 4.19 atom: 8198 33M-HE E 2.116 ambi=1 { CE:16.71 } atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } ::sumAvg: 4.995 atom: 200 34N-HA A 4.837 ambi=1 { CA:52.054 } atom: 203 34N-HD21 D2 7.681 ambi=2 { ND2:113.6 } :: atom: 200 34N-HA A 4.837 ambi=1 { CA:52.054 } atom: 204 34N-HD22 D2 6.977 ambi=2 { ND2:113.6 } ::sumAvg: 3.92 atom: 200 34N-HA A 4.837 ambi=1 { CA:52.054 } atom: 210 35Q-HA A 3.796 ambi=1 { CA:60.248 } ::sumAvg: 4.31 atom: 210 35Q-HA A 3.796 ambi=1 { CA:60.248 } atom: 200 34N-HA A 4.837 ambi=1 { CA:52.054 } ::sumAvg: 4.31 atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } atom: 200 34N-HA A 4.837 ambi=1 { CA:52.054 } ::sumAvg: 4.44 atom: 200 34N-HA A 4.837 ambi=1 { CA:52.054 } atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } ::sumAvg: 4.77 atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } atom: 200 34N-HA A 4.837 ambi=1 { CA:52.054 } ::sumAvg: 4.77 atom: 200 34N-HA A 4.837 ambi=1 { CA:52.054 } atom: 222 36S-H N 8.413 ambi=1 { N:114.335 } ::sumAvg: 4.505 atom: 200 34N-HA A 4.837 ambi=1 { CA:52.054 } atom: 229 37S-H N 8.133 ambi=1 { N:118.759 } ::sumAvg: 4.8 atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } atom: 200 34N-HA A 4.837 ambi=1 { CA:52.054 } ::sumAvg: 4.445 atom: 201 34N-HB2 B 3.132 ambi=2 { CB:39.349 } atom: 210 35Q-HA A 3.796 ambi=1 { CA:60.248 } :: atom: 202 34N-HB3 B 2.862 ambi=2 { CB:39.349 } atom: 210 35Q-HA A 3.796 ambi=1 { CA:60.248 } ::sumAvg: 4.835 atom: 210 35Q-HA A 3.796 ambi=1 { CA:60.248 } atom: 201 34N-HB2 B 3.132 ambi=2 { CB:39.349 } :: atom: 210 35Q-HA A 3.796 ambi=1 { CA:60.248 } atom: 202 34N-HB3 B 2.862 ambi=2 { CB:39.349 } ::sumAvg: 4.835 atom: 201 34N-HB2 B 3.132 ambi=2 { CB:39.349 } atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } :: atom: 202 34N-HB3 B 2.862 ambi=2 { CB:39.349 } atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } ::sumAvg: 4.62 atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } atom: 201 34N-HB2 B 3.132 ambi=2 { CB:39.349 } :: atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } atom: 202 34N-HB3 B 2.862 ambi=2 { CB:39.349 } ::sumAvg: 4.62 atom: 201 34N-HB2 B 3.132 ambi=2 { CB:39.349 } atom: 224 36S-QB B 3.858 ambi=2 { CB:62.462 } :: atom: 202 34N-HB3 B 2.862 ambi=2 { CB:39.349 } atom: 224 36S-QB B 3.858 ambi=2 { CB:62.462 } ::sumAvg: 4.32 atom: 224 36S-QB B 3.858 ambi=2 { CB:62.462 } atom: 201 34N-HB2 B 3.132 ambi=2 { CB:39.349 } :: atom: 224 36S-QB B 3.858 ambi=2 { CB:62.462 } atom: 202 34N-HB3 B 2.862 ambi=2 { CB:39.349 } ::sumAvg: 4.32 atom: 201 34N-HB2 B 3.132 ambi=2 { CB:39.349 } atom: 229 37S-H N 8.133 ambi=1 { N:118.759 } :: atom: 202 34N-HB3 B 2.862 ambi=2 { CB:39.349 } atom: 229 37S-H N 8.133 ambi=1 { N:118.759 } ::sumAvg: 3.39 atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } atom: 201 34N-HB2 B 3.132 ambi=2 { CB:39.349 } :: atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } atom: 202 34N-HB3 B 2.862 ambi=2 { CB:39.349 } ::sumAvg: 3.375 atom: 201 34N-HB2 B 3.132 ambi=2 { CB:39.349 } atom: 236 38L-H N 8.106 ambi=1 { N:122.957 } :: atom: 202 34N-HB3 B 2.862 ambi=2 { CB:39.349 } atom: 236 38L-H N 8.106 ambi=1 { N:122.957 } ::sumAvg: 4.76 atom: 224 36S-QB B 3.858 ambi=2 { CB:62.462 } atom: 203 34N-HD21 D2 7.681 ambi=2 { ND2:113.6 } :: atom: 224 36S-QB B 3.858 ambi=2 { CB:62.462 } atom: 204 34N-HD22 D2 6.977 ambi=2 { ND2:113.6 } ::sumAvg: 4.495 atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } atom: 203 34N-HD21 D2 7.681 ambi=2 { ND2:113.6 } :: atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } atom: 204 34N-HD22 D2 6.977 ambi=2 { ND2:113.6 } ::sumAvg: 4.375 atom: 224 36S-QB B 3.858 ambi=2 { CB:62.462 } atom: 209 35Q-H N 8.858 ambi=1 { N:119.983 } ::sumAvg: 4.91 atom: 210 35Q-HA A 3.796 ambi=1 { CA:60.248 } atom: 215 35Q-HE21 E2 6.74 ambi=2 { NE2:109.7 } :: atom: 210 35Q-HA A 3.796 ambi=1 { CA:60.248 } atom: 216 35Q-HE22 E2 7.228 ambi=2 { NE2:109.7 } ::sumAvg: 4.975 atom: 210 35Q-HA A 3.796 ambi=1 { CA:60.248 } atom: 4236 38L-HG G 1.6 ambi=1 { CG:27.76 } ::sumAvg: 4.82 atom: 210 35Q-HA A 3.796 ambi=1 { CA:60.248 } atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } ::sumAvg: 4.375 atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } atom: 210 35Q-HA A 3.796 ambi=1 { CA:60.248 } ::sumAvg: 4.375 atom: 210 35Q-HA A 3.796 ambi=1 { CA:60.248 } atom: 342 49I-HB B 1.779 ambi=1 { CB:38.457 } ::sumAvg: 4.745 atom: 342 49I-HB B 1.779 ambi=1 { CB:38.457 } atom: 210 35Q-HA A 3.796 ambi=1 { CA:60.248 } ::sumAvg: 4.745 atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } atom: 210 35Q-HA A 3.796 ambi=1 { CA:60.248 } ::sumAvg: 3.39 atom: 346 49I-HD1 D1 0.537 ambi=2 { CD1:13.6 } atom: 210 35Q-HA A 3.796 ambi=1 { CA:60.248 } ::sumAvg: 3.845 atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } atom: 223 36S-HA A 4.06 ambi=1 { CA:61.114 } ::sumAvg: 4.015 atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } atom: 224 36S-QB B 3.858 ambi=2 { CB:62.462 } ::sumAvg: 4.205 atom: 224 36S-QB B 3.858 ambi=2 { CB:62.462 } atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } ::sumAvg: 4.205 atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } atom: 229 37S-H N 8.133 ambi=1 { N:118.759 } ::sumAvg: 4.795 atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } atom: 239 38L-HB3 B 1.508 ambi=2 { CB:41.756 } ::sumAvg: 4.81 atom: 239 38L-HB3 B 1.508 ambi=2 { CB:41.756 } atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } ::sumAvg: 4.81 atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } :: atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } ::sumAvg: 4.73 atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } :: atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } ::sumAvg: 4.73 atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } ::sumAvg: 4.345 atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } ::sumAvg: 4.345 atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } atom: 309 46Q-HA A 3.681 ambi=1 { CA:60.583 } ::sumAvg: 4.42 atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } atom: 354 50S-HA A 3.979 ambi=1 { CA:61.749 } ::sumAvg: 4.965 atom: 354 50S-HA A 3.979 ambi=1 { CA:61.749 } atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } ::sumAvg: 4.965 atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } atom: 355 50S-QB B 3.875 ambi=2 { CB:63.06 } ::sumAvg: 4.48 atom: 355 50S-QB B 3.875 ambi=2 { CB:63.06 } atom: 211 35Q-QB B 2.054 ambi=2 { CB:28.854 } ::sumAvg: 4.48 atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } atom: 222 36S-H N 8.413 ambi=1 { N:114.335 } ::sumAvg: 3.22 atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } atom: 223 36S-HA A 4.06 ambi=1 { CA:61.114 } ::sumAvg: 4.575 atom: 223 36S-HA A 4.06 ambi=1 { CA:61.114 } atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } ::sumAvg: 4.575 atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } atom: 224 36S-QB B 3.858 ambi=2 { CB:62.462 } ::sumAvg: 4.54 atom: 224 36S-QB B 3.858 ambi=2 { CB:62.462 } atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } ::sumAvg: 4.54 atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } atom: 238 38L-HB2 B 1.685 ambi=2 { CB:41.756 } :: atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } atom: 239 38L-HB3 B 1.508 ambi=2 { CB:41.756 } ::sumAvg: 4.82 atom: 238 38L-HB2 B 1.685 ambi=2 { CB:41.756 } atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } :: atom: 239 38L-HB3 B 1.508 ambi=2 { CB:41.756 } atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } ::sumAvg: 4.82 atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } :: atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } ::sumAvg: 4.205 atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } :: atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } ::sumAvg: 4.205 atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } ::sumAvg: 4.595 atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } ::sumAvg: 4.595 atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } atom: 309 46Q-HA A 3.681 ambi=1 { CA:60.583 } ::sumAvg: 4.55 atom: 309 46Q-HA A 3.681 ambi=1 { CA:60.583 } atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } ::sumAvg: 4.55 atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } atom: 342 49I-HB B 1.779 ambi=1 { CB:38.457 } ::sumAvg: 4.425 atom: 342 49I-HB B 1.779 ambi=1 { CB:38.457 } atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } ::sumAvg: 4.425 atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } atom: 346 49I-HD1 D1 0.537 ambi=2 { CD1:13.6 } ::sumAvg: 4.585 atom: 346 49I-HD1 D1 0.537 ambi=2 { CD1:13.6 } atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } ::sumAvg: 4.585 atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } atom: 353 50S-H N 8.097 ambi=1 { N:112.353 } ::sumAvg: 4.53 atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } atom: 354 50S-HA A 3.979 ambi=1 { CA:61.749 } ::sumAvg: 4.285 atom: 354 50S-HA A 3.979 ambi=1 { CA:61.749 } atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } ::sumAvg: 4.285 atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } atom: 355 50S-QB B 3.875 ambi=2 { CB:63.06 } ::sumAvg: 4.5 atom: 355 50S-QB B 3.875 ambi=2 { CB:63.06 } atom: 213 35Q-QG G 2.409 ambi=2 { CG:34.589 } ::sumAvg: 4.5 atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } atom: 215 35Q-HE21 E2 6.74 ambi=2 { NE2:109.7 } :: atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } atom: 216 35Q-HE22 E2 7.228 ambi=2 { NE2:109.7 } ::sumAvg: 4.22 atom: 354 50S-HA A 3.979 ambi=1 { CA:61.749 } atom: 215 35Q-HE21 E2 6.74 ambi=2 { NE2:109.7 } :: atom: 354 50S-HA A 3.979 ambi=1 { CA:61.749 } atom: 216 35Q-HE22 E2 7.228 ambi=2 { NE2:109.7 } ::sumAvg: 3.95 atom: 355 50S-QB B 3.875 ambi=2 { CB:63.06 } atom: 215 35Q-HE21 E2 6.74 ambi=2 { NE2:109.7 } :: atom: 355 50S-QB B 3.875 ambi=2 { CB:63.06 } atom: 216 35Q-HE22 E2 7.228 ambi=2 { NE2:109.7 } ::sumAvg: 4 atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } atom: 222 36S-H N 8.413 ambi=1 { N:114.335 } ::sumAvg: 4.51 atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } atom: 222 36S-H N 8.413 ambi=1 { N:114.335 } ::sumAvg: 4.65 atom: 310 46Q-QB B 1.995 ambi=2 { CB:28.134 } atom: 223 36S-HA A 4.06 ambi=1 { CA:61.114 } ::sumAvg: 3.76 atom: 224 36S-QB B 3.858 ambi=2 { CB:62.462 } atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } ::sumAvg: 4.095 atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } atom: 224 36S-QB B 3.858 ambi=2 { CB:62.462 } ::sumAvg: 4.095 atom: 224 36S-QB B 3.858 ambi=2 { CB:62.462 } atom: 312 46Q-QG G 2.272 ambi=2 { CG:34.395 } ::sumAvg: 4.59 atom: 224 36S-QB B 3.858 ambi=2 { CB:62.462 } atom: 314 46Q-HE21 E2 6.795 ambi=2 { NE2:111.9 } :: atom: 224 36S-QB B 3.858 ambi=2 { CB:62.462 } atom: 315 46Q-HE22 E2 7.559 ambi=2 { NE2:111.9 } ::sumAvg: 4.105 atom: 230 37S-HA A 4.248 ambi=1 { CA:61.538 } atom: 255 40K-QG G 1.556 ambi=2 { CG:25.049 } ::sumAvg: 4.3 atom: 255 40K-QG G 1.556 ambi=2 { CG:25.049 } atom: 230 37S-HA A 4.248 ambi=1 { CA:61.538 } ::sumAvg: 4.3 atom: 230 37S-HA A 4.248 ambi=1 { CA:61.538 } atom: 256 40K-QE E 2.961 ambi=2 { CE:42.117 } ::sumAvg: 4.855 atom: 256 40K-QE E 2.961 ambi=2 { CE:42.117 } atom: 230 37S-HA A 4.248 ambi=1 { CA:61.538 } ::sumAvg: 4.855 atom: 230 37S-HA A 4.248 ambi=1 { CA:61.538 } atom: 265 41E-H N 7.385 ambi=1 { N:115.291 } ::sumAvg: 4.855 atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } atom: 238 38L-HB2 B 1.685 ambi=2 { CB:41.756 } :: atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } atom: 239 38L-HB3 B 1.508 ambi=2 { CB:41.756 } ::sumAvg: 4.48 atom: 238 38L-HB2 B 1.685 ambi=2 { CB:41.756 } atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } :: atom: 239 38L-HB3 B 1.508 ambi=2 { CB:41.756 } atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } ::sumAvg: 4.48 atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } :: atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } ::sumAvg: 4.82 atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } :: atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } ::sumAvg: 4.82 atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } atom: 251 40K-H N 7.317 ambi=1 { N:115.241 } ::sumAvg: 4.885 atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } atom: 253 40K-QB B 1.915 ambi=2 { CB:32.6 } ::sumAvg: 4.39 atom: 253 40K-QB B 1.915 ambi=2 { CB:32.6 } atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } ::sumAvg: 4.39 atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } atom: 269 41E-HG2 G 2.385 ambi=2 { CG:35.748 } :: atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } atom: 270 41E-HG3 G 2.312 ambi=2 { CG:35.748 } ::sumAvg: 4.795 atom: 269 41E-HG2 G 2.385 ambi=2 { CG:35.748 } atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } :: atom: 270 41E-HG3 G 2.312 ambi=2 { CG:35.748 } atom: 231 37S-QB B 3.955 ambi=2 { CB:62.971 } ::sumAvg: 4.795 atom: 4236 38L-HG G 1.6 ambi=1 { CG:27.76 } atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } ::sumAvg: 3.07 atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } atom: 251 40K-H N 7.317 ambi=1 { N:115.241 } ::sumAvg: 4.145 atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } atom: 253 40K-QB B 1.915 ambi=2 { CB:32.6 } ::sumAvg: 4.85 atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } atom: 265 41E-H N 7.385 ambi=1 { N:115.291 } ::sumAvg: 3.455 atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } atom: 267 41E-HB2 B 1.819 ambi=2 { CB:31.868 } :: atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } atom: 268 41E-HB3 B 2.205 ambi=2 { CB:31.868 } ::sumAvg: 3.165 atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } atom: 275 42C-H N 7.629 ambi=1 { N:117.545 } ::sumAvg: 3.875 atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } atom: 1271 42C-QB B 1.563 ambi=2 { CB:27.562 } ::sumAvg: 4.195 atom: 1271 42C-QB B 1.563 ambi=2 { CB:27.562 } atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } ::sumAvg: 4.195 atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } atom: 346 49I-HD1 D1 0.537 ambi=2 { CD1:13.6 } ::sumAvg: 4.435 atom: 346 49I-HD1 D1 0.537 ambi=2 { CD1:13.6 } atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } ::sumAvg: 4.435 atom: 237 38L-HA A 4.074 ambi=1 { CA:57.41 } atom: 9934 72W-HZ2 Z2 6.345 ambi=1 { CZ2:114.3 } ::sumAvg: 4.475 atom: 238 38L-HB2 B 1.685 ambi=2 { CB:41.756 } atom: 244 39A-HA A 4.012 ambi=1 { CA:54.431 } :: atom: 239 38L-HB3 B 1.508 ambi=2 { CB:41.756 } atom: 244 39A-HA A 4.012 ambi=1 { CA:54.431 } ::sumAvg: 4.355 atom: 244 39A-HA A 4.012 ambi=1 { CA:54.431 } atom: 238 38L-HB2 B 1.685 ambi=2 { CB:41.756 } :: atom: 244 39A-HA A 4.012 ambi=1 { CA:54.431 } atom: 239 38L-HB3 B 1.508 ambi=2 { CB:41.756 } ::sumAvg: 4.355 atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } atom: 238 38L-HB2 B 1.685 ambi=2 { CB:41.756 } :: atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } atom: 239 38L-HB3 B 1.508 ambi=2 { CB:41.756 } ::sumAvg: 3.545 atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } atom: 265 41E-H N 7.385 ambi=1 { N:115.291 } :: atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } atom: 265 41E-H N 7.385 ambi=1 { N:115.291 } ::sumAvg: 4.53 atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } atom: 269 41E-HG2 G 2.385 ambi=2 { CG:35.748 } :: atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } atom: 270 41E-HG3 G 2.312 ambi=2 { CG:35.748 } :: atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } atom: 269 41E-HG2 G 2.385 ambi=2 { CG:35.748 } :: atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } atom: 270 41E-HG3 G 2.312 ambi=2 { CG:35.748 } ::sumAvg: 4.6 atom: 269 41E-HG2 G 2.385 ambi=2 { CG:35.748 } atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } :: atom: 270 41E-HG3 G 2.312 ambi=2 { CG:35.748 } atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } :: atom: 269 41E-HG2 G 2.385 ambi=2 { CG:35.748 } atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } :: atom: 270 41E-HG3 G 2.312 ambi=2 { CG:35.748 } atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } ::sumAvg: 4.6 atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } atom: 275 42C-H N 7.629 ambi=1 { N:117.545 } :: atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } atom: 275 42C-H N 7.629 ambi=1 { N:117.545 } ::sumAvg: 4.095 atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } atom: 1270 42C-HA A 2.919 ambi=1 { CA:55.861 } :: atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } atom: 1270 42C-HA A 2.919 ambi=1 { CA:55.861 } ::sumAvg: 4.985 atom: 1270 42C-HA A 2.919 ambi=1 { CA:55.861 } atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } :: atom: 1270 42C-HA A 2.919 ambi=1 { CA:55.861 } atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } ::sumAvg: 4.985 atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } atom: 342 49I-HB B 1.779 ambi=1 { CB:38.457 } :: atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } atom: 342 49I-HB B 1.779 ambi=1 { CB:38.457 } ::sumAvg: 4.42 atom: 344 49I-HG13 G1 1.629 ambi=2 { CG1:29.577 } atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } :: atom: 344 49I-HG13 G1 1.629 ambi=2 { CG1:29.577 } atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } ::sumAvg: 3.48 atom: 4237 38L-HD1 D1 0.899 ambi=2 { CD1:26.63 } atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } :: atom: 4238 38L-HD2 D2 0.961 ambi=2 { CD2:24.77 } atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } ::sumAvg: 4.545 atom: 253 40K-QB B 1.915 ambi=2 { CB:32.6 } atom: 243 39A-H N 8.088 ambi=1 { N:121.176 } ::sumAvg: 4.575 atom: 310 46Q-QB B 1.995 ambi=2 { CB:28.134 } atom: 243 39A-H N 8.088 ambi=1 { N:121.176 } ::sumAvg: 4.695 atom: 244 39A-HA A 4.012 ambi=1 { CA:54.431 } atom: 251 40K-H N 7.317 ambi=1 { N:115.241 } ::sumAvg: 3.51 atom: 244 39A-HA A 4.012 ambi=1 { CA:54.431 } atom: 265 41E-H N 7.385 ambi=1 { N:115.291 } ::sumAvg: 4.42 atom: 1271 42C-QB B 1.563 ambi=2 { CB:27.562 } atom: 244 39A-HA A 4.012 ambi=1 { CA:54.431 } ::sumAvg: 3.39 atom: 244 39A-HA A 4.012 ambi=1 { CA:54.431 } atom: 290 44L-H N 7.438 ambi=1 { N:118.932 } ::sumAvg: 4.48 atom: 244 39A-HA A 4.012 ambi=1 { CA:54.431 } atom: 292 44L-HB2 B 1.249 ambi=2 { CB:43.638 } :: atom: 244 39A-HA A 4.012 ambi=1 { CA:54.431 } atom: 293 44L-HB3 B 1.449 ambi=2 { CB:43.638 } ::sumAvg: 4.455 atom: 292 44L-HB2 B 1.249 ambi=2 { CB:43.638 } atom: 244 39A-HA A 4.012 ambi=1 { CA:54.431 } :: atom: 293 44L-HB3 B 1.449 ambi=2 { CB:43.638 } atom: 244 39A-HA A 4.012 ambi=1 { CA:54.431 } ::sumAvg: 4.455 atom: 244 39A-HA A 4.012 ambi=1 { CA:54.431 } atom: 302 45S-HA A 4.437 ambi=1 { CA:56.716 } ::sumAvg: 4.475 atom: 244 39A-HA A 4.012 ambi=1 { CA:54.431 } atom: 308 46Q-H N 9.116 ambi=1 { N:120.751 } ::sumAvg: 4.425 atom: 244 39A-HA A 4.012 ambi=1 { CA:54.431 } atom: 310 46Q-QB B 1.995 ambi=2 { CB:28.134 } ::sumAvg: 4.805 atom: 310 46Q-QB B 1.995 ambi=2 { CB:28.134 } atom: 244 39A-HA A 4.012 ambi=1 { CA:54.431 } ::sumAvg: 4.805 atom: 343 49I-HG12 G1 0.586 ambi=2 { CG1:29.577 } atom: 244 39A-HA A 4.012 ambi=1 { CA:54.431 } :: atom: 344 49I-HG13 G1 1.629 ambi=2 { CG1:29.577 } atom: 244 39A-HA A 4.012 ambi=1 { CA:54.431 } ::sumAvg: 3.96 atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } atom: 253 40K-QB B 1.915 ambi=2 { CB:32.6 } ::sumAvg: 4.15 atom: 253 40K-QB B 1.915 ambi=2 { CB:32.6 } atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } ::sumAvg: 4.15 atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } atom: 265 41E-H N 7.385 ambi=1 { N:115.291 } ::sumAvg: 4.62 atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } atom: 314 46Q-HE21 E2 6.795 ambi=2 { NE2:111.9 } :: atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } atom: 315 46Q-HE22 E2 7.559 ambi=2 { NE2:111.9 } ::sumAvg: 4.94 atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } atom: 321 47S-H N 8.397 ambi=1 { N:112.912 } ::sumAvg: 4.85 atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } atom: 340 49I-H N 8.305 ambi=1 { N:119.136 } ::sumAvg: 4.99 atom: 343 49I-HG12 G1 0.586 ambi=2 { CG1:29.577 } atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } ::sumAvg: 3.805 atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } ::sumAvg: 4.255 atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } atom: 245 39A-HB B 1.388 ambi=1 { CB:18.467 } ::sumAvg: 4.255 atom: 267 41E-HB2 B 1.819 ambi=2 { CB:31.868 } atom: 251 40K-H N 7.317 ambi=1 { N:115.241 } :: atom: 268 41E-HB3 B 2.205 ambi=2 { CB:31.868 } atom: 251 40K-H N 7.317 ambi=1 { N:115.241 } ::sumAvg: 4.71 atom: 269 41E-HG2 G 2.385 ambi=2 { CG:35.748 } atom: 251 40K-H N 7.317 ambi=1 { N:115.241 } :: atom: 270 41E-HG3 G 2.312 ambi=2 { CG:35.748 } atom: 251 40K-H N 7.317 ambi=1 { N:115.241 } ::sumAvg: 4.565 atom: 252 40K-HA A 4.068 ambi=1 { CA:58.293 } atom: 256 40K-QE E 2.961 ambi=2 { CE:42.117 } ::sumAvg: 4.605 atom: 252 40K-HA A 4.068 ambi=1 { CA:58.293 } atom: 265 41E-H N 7.385 ambi=1 { N:115.291 } ::sumAvg: 3.52 atom: 266 41E-HA A 4.295 ambi=1 { CA:56.856 } atom: 253 40K-QB B 1.915 ambi=2 { CB:32.6 } ::sumAvg: 4.07 atom: 253 40K-QB B 1.915 ambi=2 { CB:32.6 } atom: 269 41E-HG2 G 2.385 ambi=2 { CG:35.748 } ::sumAvg: 3.29 atom: 269 41E-HG2 G 2.385 ambi=2 { CG:35.748 } atom: 253 40K-QB B 1.915 ambi=2 { CB:32.6 } ::sumAvg: 3.29 atom: 253 40K-QB B 1.915 ambi=2 { CB:32.6 } atom: 275 42C-H N 7.629 ambi=1 { N:117.545 } ::sumAvg: 4.745 atom: 255 40K-QG G 1.556 ambi=2 { CG:25.049 } atom: 265 41E-H N 7.385 ambi=1 { N:115.291 } ::sumAvg: 3.9 atom: 255 40K-QG G 1.556 ambi=2 { CG:25.049 } atom: 266 41E-HA A 4.295 ambi=1 { CA:56.856 } ::sumAvg: 4.615 atom: 266 41E-HA A 4.295 ambi=1 { CA:56.856 } atom: 255 40K-QG G 1.556 ambi=2 { CG:25.049 } ::sumAvg: 4.615 atom: 255 40K-QG G 1.556 ambi=2 { CG:25.049 } atom: 269 41E-HG2 G 2.385 ambi=2 { CG:35.748 } :: atom: 255 40K-QG G 1.556 ambi=2 { CG:25.049 } atom: 270 41E-HG3 G 2.312 ambi=2 { CG:35.748 } ::sumAvg: 4.455 atom: 269 41E-HG2 G 2.385 ambi=2 { CG:35.748 } atom: 255 40K-QG G 1.556 ambi=2 { CG:25.049 } :: atom: 270 41E-HG3 G 2.312 ambi=2 { CG:35.748 } atom: 255 40K-QG G 1.556 ambi=2 { CG:25.049 } ::sumAvg: 4.455 atom: 1271 42C-QB B 1.563 ambi=2 { CB:27.562 } atom: 265 41E-H N 7.385 ambi=1 { N:115.291 } ::sumAvg: 4.195 atom: 266 41E-HA A 4.295 ambi=1 { CA:56.856 } atom: 1270 42C-HA A 2.919 ambi=1 { CA:55.861 } ::sumAvg: 4.67 atom: 1270 42C-HA A 2.919 ambi=1 { CA:55.861 } atom: 266 41E-HA A 4.295 ambi=1 { CA:56.856 } ::sumAvg: 4.67 atom: 266 41E-HA A 4.295 ambi=1 { CA:56.856 } atom: 9930 72W-HE1 E1 10.26 ambi=1 { NE1:132.19 } ::sumAvg: 3.975 atom: 267 41E-HB2 B 1.819 ambi=2 { CB:31.868 } atom: 9932 72W-HD1 D1 7.281 ambi=1 { CD1:127.48 } :: atom: 268 41E-HB3 B 2.205 ambi=2 { CB:31.868 } atom: 9932 72W-HD1 D1 7.281 ambi=1 { CD1:127.48 } ::sumAvg: 4.46 atom: 267 41E-HB2 B 1.819 ambi=2 { CB:31.868 } atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } :: atom: 268 41E-HB3 B 2.205 ambi=2 { CB:31.868 } atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } ::sumAvg: 4.7 atom: 267 41E-HB2 B 1.819 ambi=2 { CB:31.868 } atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } :: atom: 268 41E-HB3 B 2.205 ambi=2 { CB:31.868 } atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } ::sumAvg: 4.875 atom: 269 41E-HG2 G 2.385 ambi=2 { CG:35.748 } atom: 275 42C-H N 7.629 ambi=1 { N:117.545 } :: atom: 270 41E-HG3 G 2.312 ambi=2 { CG:35.748 } atom: 275 42C-H N 7.629 ambi=1 { N:117.545 } ::sumAvg: 4.535 atom: 269 41E-HG2 G 2.385 ambi=2 { CG:35.748 } atom: 9930 72W-HE1 E1 10.26 ambi=1 { NE1:132.19 } :: atom: 270 41E-HG3 G 2.312 ambi=2 { CG:35.748 } atom: 9930 72W-HE1 E1 10.26 ambi=1 { NE1:132.19 } ::sumAvg: 4.665 atom: 269 41E-HG2 G 2.385 ambi=2 { CG:35.748 } atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } :: atom: 270 41E-HG3 G 2.312 ambi=2 { CG:35.748 } atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } ::sumAvg: 4.84 atom: 346 49I-HD1 D1 0.537 ambi=2 { CD1:13.6 } atom: 275 42C-H N 7.629 ambi=1 { N:117.545 } ::sumAvg: 4.83 atom: 1270 42C-HA A 2.919 ambi=1 { CA:55.861 } atom: 279 43P-HA A 4.382 ambi=1 { CA:64.024 } ::sumAvg: 4.46 atom: 1270 42C-HA A 2.919 ambi=1 { CA:55.861 } atom: 290 44L-H N 7.438 ambi=1 { N:118.932 } ::sumAvg: 4.195 atom: 1270 42C-HA A 2.919 ambi=1 { CA:55.861 } atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } ::sumAvg: 4.895 atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } atom: 1270 42C-HA A 2.919 ambi=1 { CA:55.861 } ::sumAvg: 4.895 atom: 1270 42C-HA A 2.919 ambi=1 { CA:55.861 } atom: 9930 72W-HE1 E1 10.26 ambi=1 { NE1:132.19 } ::sumAvg: 4.105 atom: 346 49I-HD1 D1 0.537 ambi=2 { CD1:13.6 } atom: 1271 42C-QB B 1.563 ambi=2 { CB:27.562 } ::sumAvg: 3.685 atom: 1271 42C-QB B 1.563 ambi=2 { CB:27.562 } atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } ::sumAvg: 4.45 atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } atom: 1271 42C-QB B 1.563 ambi=2 { CB:27.562 } ::sumAvg: 4.45 atom: 1271 42C-QB B 1.563 ambi=2 { CB:27.562 } atom: 9934 72W-HZ2 Z2 6.345 ambi=1 { CZ2:114.3 } ::sumAvg: 4.69 atom: 1271 42C-QB B 1.563 ambi=2 { CB:27.562 } atom: 9937 72W-HH2 H2 6.247 ambi=1 { CH2:123.1 } ::sumAvg: 4.59 atom: 284 43P-HD2 D 2.958 ambi=2 { CD:50.254 } atom: 279 43P-HA A 4.382 ambi=1 { CA:64.024 } :: atom: 285 43P-HD3 D 2.714 ambi=2 { CD:50.254 } atom: 279 43P-HA A 4.382 ambi=1 { CA:64.024 } ::sumAvg: 3.665 atom: 279 43P-HA A 4.382 ambi=1 { CA:64.024 } atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } :: atom: 279 43P-HA A 4.382 ambi=1 { CA:64.024 } atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } ::sumAvg: 4.8 atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } atom: 279 43P-HA A 4.382 ambi=1 { CA:64.024 } :: atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } atom: 279 43P-HA A 4.382 ambi=1 { CA:64.024 } ::sumAvg: 4.8 atom: 280 43P-HB2 B 1.733 ambi=2 { CB:31.697 } atom: 291 44L-HA A 4.65 ambi=1 { CA:53.055 } :: atom: 281 43P-HB3 B 2.227 ambi=2 { CB:31.697 } atom: 291 44L-HA A 4.65 ambi=1 { CA:53.055 } ::sumAvg: 4.35 atom: 280 43P-HB2 B 1.733 ambi=2 { CB:31.697 } atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } :: atom: 280 43P-HB2 B 1.733 ambi=2 { CB:31.697 } atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } :: atom: 281 43P-HB3 B 2.227 ambi=2 { CB:31.697 } atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } :: atom: 281 43P-HB3 B 2.227 ambi=2 { CB:31.697 } atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } ::sumAvg: 3.29 atom: 280 43P-HB2 B 1.733 ambi=2 { CB:31.697 } atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } :: atom: 281 43P-HB3 B 2.227 ambi=2 { CB:31.697 } atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } ::sumAvg: 4.82 atom: 282 43P-HG2 G 1.824 ambi=2 { CG:27.434 } atom: 497 68E-HA A 3.864 ambi=1 { CA:59.624 } :: atom: 283 43P-HG3 G 1.548 ambi=2 { CG:27.434 } atom: 497 68E-HA A 3.864 ambi=1 { CA:59.624 } ::sumAvg: 4.72 atom: 282 43P-HG2 G 1.824 ambi=2 { CG:27.434 } atom: 506 69F-H N 8.636 ambi=1 { N:120.807 } :: atom: 283 43P-HG3 G 1.548 ambi=2 { CG:27.434 } atom: 506 69F-H N 8.636 ambi=1 { N:120.807 } ::sumAvg: 4.25 atom: 282 43P-HG2 G 1.824 ambi=2 { CG:27.434 } atom: 529 72W-H N 7.731 ambi=1 { N:121.281 } :: atom: 283 43P-HG3 G 1.548 ambi=2 { CG:27.434 } atom: 529 72W-H N 7.731 ambi=1 { N:121.281 } ::sumAvg: 4.875 atom: 284 43P-HD2 D 2.958 ambi=2 { CD:50.254 } atom: 292 44L-HB2 B 1.249 ambi=2 { CB:43.638 } :: atom: 284 43P-HD2 D 2.958 ambi=2 { CD:50.254 } atom: 293 44L-HB3 B 1.449 ambi=2 { CB:43.638 } :: atom: 285 43P-HD3 D 2.714 ambi=2 { CD:50.254 } atom: 292 44L-HB2 B 1.249 ambi=2 { CB:43.638 } :: atom: 285 43P-HD3 D 2.714 ambi=2 { CD:50.254 } atom: 293 44L-HB3 B 1.449 ambi=2 { CB:43.638 } ::sumAvg: 4.89 atom: 292 44L-HB2 B 1.249 ambi=2 { CB:43.638 } atom: 284 43P-HD2 D 2.958 ambi=2 { CD:50.254 } :: atom: 293 44L-HB3 B 1.449 ambi=2 { CB:43.638 } atom: 284 43P-HD2 D 2.958 ambi=2 { CD:50.254 } :: atom: 292 44L-HB2 B 1.249 ambi=2 { CB:43.638 } atom: 285 43P-HD3 D 2.714 ambi=2 { CD:50.254 } :: atom: 293 44L-HB3 B 1.449 ambi=2 { CB:43.638 } atom: 285 43P-HD3 D 2.714 ambi=2 { CD:50.254 } ::sumAvg: 4.89 atom: 284 43P-HD2 D 2.958 ambi=2 { CD:50.254 } atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } :: atom: 284 43P-HD2 D 2.958 ambi=2 { CD:50.254 } atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } :: atom: 285 43P-HD3 D 2.714 ambi=2 { CD:50.254 } atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } :: atom: 285 43P-HD3 D 2.714 ambi=2 { CD:50.254 } atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } ::sumAvg: 4.055 atom: 284 43P-HD2 D 2.958 ambi=2 { CD:50.254 } atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } :: atom: 285 43P-HD3 D 2.714 ambi=2 { CD:50.254 } atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } ::sumAvg: 4.735 atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } atom: 284 43P-HD2 D 2.958 ambi=2 { CD:50.254 } :: atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } atom: 285 43P-HD3 D 2.714 ambi=2 { CD:50.254 } ::sumAvg: 4.735 atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } atom: 284 43P-HD2 D 2.958 ambi=2 { CD:50.254 } :: atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } atom: 285 43P-HD3 D 2.714 ambi=2 { CD:50.254 } ::sumAvg: 3.455 atom: 285 43P-HD3 D 2.714 ambi=2 { CD:50.254 } atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } ::sumAvg: 4.55 atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } atom: 285 43P-HD3 D 2.714 ambi=2 { CD:50.254 } ::sumAvg: 4.55 atom: 284 43P-HD2 D 2.958 ambi=2 { CD:50.254 } atom: 529 72W-H N 7.731 ambi=1 { N:121.281 } :: atom: 285 43P-HD3 D 2.714 ambi=2 { CD:50.254 } atom: 529 72W-H N 7.731 ambi=1 { N:121.281 } ::sumAvg: 4.775 atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } atom: 285 43P-HD3 D 2.714 ambi=2 { CD:50.254 } ::sumAvg: 2.965 atom: 284 43P-HD2 D 2.958 ambi=2 { CD:50.254 } atom: 9932 72W-HD1 D1 7.281 ambi=1 { CD1:127.48 } :: atom: 285 43P-HD3 D 2.714 ambi=2 { CD:50.254 } atom: 9932 72W-HD1 D1 7.281 ambi=1 { CD1:127.48 } ::sumAvg: 4.075 atom: 346 49I-HD1 D1 0.537 ambi=2 { CD1:13.6 } atom: 290 44L-H N 7.438 ambi=1 { N:118.932 } ::sumAvg: 4.905 atom: 294 44L-HG G 1.536 ambi=1 { CG:27.05 } atom: 291 44L-HA A 4.65 ambi=1 { CA:53.055 } ::sumAvg: 2.745 atom: 291 44L-HA A 4.65 ambi=1 { CA:53.055 } atom: 304 45S-HB3 B 3.974 ambi=2 { CB:65.46 } ::sumAvg: 4.535 atom: 304 45S-HB3 B 3.974 ambi=2 { CB:65.46 } atom: 291 44L-HA A 4.65 ambi=1 { CA:53.055 } ::sumAvg: 4.535 atom: 291 44L-HA A 4.65 ambi=1 { CA:53.055 } atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } :: atom: 291 44L-HA A 4.65 ambi=1 { CA:53.055 } atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } ::sumAvg: 4.485 atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } atom: 291 44L-HA A 4.65 ambi=1 { CA:53.055 } :: atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } atom: 291 44L-HA A 4.65 ambi=1 { CA:53.055 } ::sumAvg: 4.485 atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } atom: 291 44L-HA A 4.65 ambi=1 { CA:53.055 } ::sumAvg: 4.685 atom: 291 44L-HA A 4.65 ambi=1 { CA:53.055 } atom: 1464 65K-HG2 G 1.5 ambi=2 { CG:24.655 } :: atom: 291 44L-HA A 4.65 ambi=1 { CA:53.055 } atom: 1465 65K-HG3 G 1.445 ambi=2 { CG:24.655 } ::sumAvg: 4.835 atom: 1464 65K-HG2 G 1.5 ambi=2 { CG:24.655 } atom: 291 44L-HA A 4.65 ambi=1 { CA:53.055 } :: atom: 1465 65K-HG3 G 1.445 ambi=2 { CG:24.655 } atom: 291 44L-HA A 4.65 ambi=1 { CA:53.055 } ::sumAvg: 4.835 atom: 291 44L-HA A 4.65 ambi=1 { CA:53.055 } atom: 1466 65K-HD2 D 1.12 ambi=2 { CD:27.38 } :: atom: 291 44L-HA A 4.65 ambi=1 { CA:53.055 } atom: 1467 65K-HD3 D 1.425 ambi=2 { CD:27.38 } ::sumAvg: 4.57 atom: 1466 65K-HD2 D 1.12 ambi=2 { CD:27.38 } atom: 291 44L-HA A 4.65 ambi=1 { CA:53.055 } :: atom: 1467 65K-HD3 D 1.425 ambi=2 { CD:27.38 } atom: 291 44L-HA A 4.65 ambi=1 { CA:53.055 } ::sumAvg: 4.57 atom: 291 44L-HA A 4.65 ambi=1 { CA:53.055 } atom: 1468 65K-QE E 2.935 ambi=2 { CE:42.119 } ::sumAvg: 4.235 atom: 1468 65K-QE E 2.935 ambi=2 { CE:42.119 } atom: 291 44L-HA A 4.65 ambi=1 { CA:53.055 } ::sumAvg: 4.235 atom: 292 44L-HB2 B 1.249 ambi=2 { CB:43.638 } atom: 302 45S-HA A 4.437 ambi=1 { CA:56.716 } :: atom: 293 44L-HB3 B 1.449 ambi=2 { CB:43.638 } atom: 302 45S-HA A 4.437 ambi=1 { CA:56.716 } ::sumAvg: 4.93 atom: 302 45S-HA A 4.437 ambi=1 { CA:56.716 } atom: 292 44L-HB2 B 1.249 ambi=2 { CB:43.638 } :: atom: 302 45S-HA A 4.437 ambi=1 { CA:56.716 } atom: 293 44L-HB3 B 1.449 ambi=2 { CB:43.638 } ::sumAvg: 4.93 atom: 292 44L-HB2 B 1.249 ambi=2 { CB:43.638 } atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } :: atom: 292 44L-HB2 B 1.249 ambi=2 { CB:43.638 } atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } :: atom: 293 44L-HB3 B 1.449 ambi=2 { CB:43.638 } atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } :: atom: 293 44L-HB3 B 1.449 ambi=2 { CB:43.638 } atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } ::sumAvg: 3.165 atom: 292 44L-HB2 B 1.249 ambi=2 { CB:43.638 } atom: 340 49I-H N 8.305 ambi=1 { N:119.136 } :: atom: 293 44L-HB3 B 1.449 ambi=2 { CB:43.638 } atom: 340 49I-H N 8.305 ambi=1 { N:119.136 } ::sumAvg: 4.185 atom: 292 44L-HB2 B 1.249 ambi=2 { CB:43.638 } atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } :: atom: 293 44L-HB3 B 1.449 ambi=2 { CB:43.638 } atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } ::sumAvg: 4.445 atom: 294 44L-HG G 1.536 ambi=1 { CG:27.05 } atom: 301 45S-H N 7.842 ambi=1 { N:116.305 } ::sumAvg: 4.19 atom: 294 44L-HG G 1.536 ambi=1 { CG:27.05 } atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } ::sumAvg: 4.54 atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } atom: 294 44L-HG G 1.536 ambi=1 { CG:27.05 } ::sumAvg: 4.54 atom: 469 65K-HB3 B 2.081 ambi=2 { CB:30.726 } atom: 294 44L-HG G 1.536 ambi=1 { CG:27.05 } ::sumAvg: 3.835 atom: 294 44L-HG G 1.536 ambi=1 { CG:27.05 } atom: 1466 65K-HD2 D 1.12 ambi=2 { CD:27.38 } ::sumAvg: 4.145 atom: 1466 65K-HD2 D 1.12 ambi=2 { CD:27.38 } atom: 294 44L-HG G 1.536 ambi=1 { CG:27.05 } ::sumAvg: 4.145 atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } atom: 301 45S-H N 7.842 ambi=1 { N:116.305 } :: atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } atom: 301 45S-H N 7.842 ambi=1 { N:116.305 } ::sumAvg: 3.93 atom: 344 49I-HG13 G1 1.629 ambi=2 { CG1:29.577 } atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } :: atom: 344 49I-HG13 G1 1.629 ambi=2 { CG1:29.577 } atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } ::sumAvg: 3.845 atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } ::sumAvg: 3.555 atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } ::sumAvg: 3.555 atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } atom: 462 64A-HB B 1.404 ambi=1 { CB:17.949 } :: atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } atom: 462 64A-HB B 1.404 ambi=1 { CB:17.949 } ::sumAvg: 4.58 atom: 462 64A-HB B 1.404 ambi=1 { CB:17.949 } atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } :: atom: 462 64A-HB B 1.404 ambi=1 { CB:17.949 } atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } ::sumAvg: 4.58 atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } atom: 466 65K-H N 7.92 ambi=1 { N:120.121 } :: atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } atom: 466 65K-H N 7.92 ambi=1 { N:120.121 } ::sumAvg: 4.485 atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } :: atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } ::sumAvg: 3.32 atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } :: atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } ::sumAvg: 3.32 atom: 1464 65K-HG2 G 1.5 ambi=2 { CG:24.655 } atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } :: atom: 1465 65K-HG3 G 1.445 ambi=2 { CG:24.655 } atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } :: atom: 1464 65K-HG2 G 1.5 ambi=2 { CG:24.655 } atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } :: atom: 1465 65K-HG3 G 1.445 ambi=2 { CG:24.655 } atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } ::sumAvg: 3.18 atom: 1467 65K-HD3 D 1.425 ambi=2 { CD:27.38 } atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } :: atom: 1466 65K-HD2 D 1.12 ambi=2 { CD:27.38 } atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } :: atom: 1467 65K-HD3 D 1.425 ambi=2 { CD:27.38 } atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } ::sumAvg: 3.255 atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } :: atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } ::sumAvg: 4.07 atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } atom: 506 69F-H N 8.636 ambi=1 { N:120.807 } :: atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } atom: 506 69F-H N 8.636 ambi=1 { N:120.807 } ::sumAvg: 4.03 atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } :: atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } ::sumAvg: 3.915 atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } atom: 295 44L-HD2 D2 0.725 ambi=2 { CD2:23.33 } :: atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } atom: 7295 44L-HD1 D1 0.414 ambi=2 { CD1:26.9 } ::sumAvg: 3.915 atom: 1468 65K-QE E 2.935 ambi=2 { CE:42.119 } atom: 301 45S-H N 7.842 ambi=1 { N:116.305 } ::sumAvg: 4.33 atom: 302 45S-HA A 4.437 ambi=1 { CA:56.716 } atom: 309 46Q-HA A 3.681 ambi=1 { CA:60.583 } ::sumAvg: 4.405 atom: 309 46Q-HA A 3.681 ambi=1 { CA:60.583 } atom: 302 45S-HA A 4.437 ambi=1 { CA:56.716 } ::sumAvg: 4.405 atom: 302 45S-HA A 4.437 ambi=1 { CA:56.716 } atom: 321 47S-H N 8.397 ambi=1 { N:112.912 } ::sumAvg: 4.195 atom: 302 45S-HA A 4.437 ambi=1 { CA:56.716 } atom: 328 48M-H N 7.622 ambi=1 { N:123.332 } ::sumAvg: 4.435 atom: 302 45S-HA A 4.437 ambi=1 { CA:56.716 } atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } :: atom: 302 45S-HA A 4.437 ambi=1 { CA:56.716 } atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } ::sumAvg: 4.63 atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } atom: 302 45S-HA A 4.437 ambi=1 { CA:56.716 } :: atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } atom: 302 45S-HA A 4.437 ambi=1 { CA:56.716 } ::sumAvg: 4.63 atom: 302 45S-HA A 4.437 ambi=1 { CA:56.716 } atom: 346 49I-HD1 D1 0.537 ambi=2 { CD1:13.6 } ::sumAvg: 4.905 atom: 346 49I-HD1 D1 0.537 ambi=2 { CD1:13.6 } atom: 302 45S-HA A 4.437 ambi=1 { CA:56.716 } ::sumAvg: 4.905 atom: 303 45S-HB2 B 4.305 ambi=2 { CB:65.46 } atom: 308 46Q-H N 9.116 ambi=1 { N:120.751 } :: atom: 304 45S-HB3 B 3.974 ambi=2 { CB:65.46 } atom: 308 46Q-H N 9.116 ambi=1 { N:120.751 } ::sumAvg: 3.23 atom: 303 45S-HB2 B 4.305 ambi=2 { CB:65.46 } atom: 310 46Q-QB B 1.995 ambi=2 { CB:28.134 } :: atom: 304 45S-HB3 B 3.974 ambi=2 { CB:65.46 } atom: 310 46Q-QB B 1.995 ambi=2 { CB:28.134 } ::sumAvg: 4.725 atom: 310 46Q-QB B 1.995 ambi=2 { CB:28.134 } atom: 303 45S-HB2 B 4.305 ambi=2 { CB:65.46 } :: atom: 310 46Q-QB B 1.995 ambi=2 { CB:28.134 } atom: 304 45S-HB3 B 3.974 ambi=2 { CB:65.46 } ::sumAvg: 4.725 atom: 303 45S-HB2 B 4.305 ambi=2 { CB:65.46 } atom: 321 47S-H N 8.397 ambi=1 { N:112.912 } :: atom: 304 45S-HB3 B 3.974 ambi=2 { CB:65.46 } atom: 321 47S-H N 8.397 ambi=1 { N:112.912 } ::sumAvg: 3.715 atom: 303 45S-HB2 B 4.305 ambi=2 { CB:65.46 } atom: 323 47S-QB B 3.783 ambi=2 { CB:62.426 } ::sumAvg: 4.225 atom: 323 47S-QB B 3.783 ambi=2 { CB:62.426 } atom: 303 45S-HB2 B 4.305 ambi=2 { CB:65.46 } ::sumAvg: 4.225 atom: 303 45S-HB2 B 4.305 ambi=2 { CB:65.46 } atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } :: atom: 303 45S-HB2 B 4.305 ambi=2 { CB:65.46 } atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } :: atom: 304 45S-HB3 B 3.974 ambi=2 { CB:65.46 } atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } :: atom: 304 45S-HB3 B 3.974 ambi=2 { CB:65.46 } atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } ::sumAvg: 3.55 atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } atom: 303 45S-HB2 B 4.305 ambi=2 { CB:65.46 } :: atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } atom: 303 45S-HB2 B 4.305 ambi=2 { CB:65.46 } :: atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } atom: 304 45S-HB3 B 3.974 ambi=2 { CB:65.46 } :: atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } atom: 304 45S-HB3 B 3.974 ambi=2 { CB:65.46 } ::sumAvg: 3.55 atom: 303 45S-HB2 B 4.305 ambi=2 { CB:65.46 } atom: 332 48M-HE E 2.175 ambi=2 { CE:17.75 } :: atom: 304 45S-HB3 B 3.974 ambi=2 { CB:65.46 } atom: 332 48M-HE E 2.175 ambi=2 { CE:17.75 } ::sumAvg: 4.31 atom: 303 45S-HB2 B 4.305 ambi=2 { CB:65.46 } atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } :: atom: 304 45S-HB3 B 3.974 ambi=2 { CB:65.46 } atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } ::sumAvg: 3.84 atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } atom: 303 45S-HB2 B 4.305 ambi=2 { CB:65.46 } :: atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } atom: 304 45S-HB3 B 3.974 ambi=2 { CB:65.46 } ::sumAvg: 3.84 atom: 303 45S-HB2 B 4.305 ambi=2 { CB:65.46 } atom: 340 49I-H N 8.305 ambi=1 { N:119.136 } :: atom: 304 45S-HB3 B 3.974 ambi=2 { CB:65.46 } atom: 340 49I-H N 8.305 ambi=1 { N:119.136 } ::sumAvg: 4.945 atom: 323 47S-QB B 3.783 ambi=2 { CB:62.426 } atom: 308 46Q-H N 9.116 ambi=1 { N:120.751 } ::sumAvg: 4.895 atom: 346 49I-HD1 D1 0.537 ambi=2 { CD1:13.6 } atom: 308 46Q-H N 9.116 ambi=1 { N:120.751 } ::sumAvg: 4.975 atom: 309 46Q-HA A 3.681 ambi=1 { CA:60.583 } atom: 321 47S-H N 8.397 ambi=1 { N:112.912 } ::sumAvg: 3.53 atom: 322 47S-HA A 4.091 ambi=1 { CA:61.097 } atom: 309 46Q-HA A 3.681 ambi=1 { CA:60.583 } ::sumAvg: 4.775 atom: 309 46Q-HA A 3.681 ambi=1 { CA:60.583 } atom: 328 48M-H N 7.622 ambi=1 { N:123.332 } ::sumAvg: 4.295 atom: 310 46Q-QB B 1.995 ambi=2 { CB:28.134 } atom: 322 47S-HA A 4.091 ambi=1 { CA:61.097 } ::sumAvg: 4.205 atom: 310 46Q-QB B 1.995 ambi=2 { CB:28.134 } atom: 323 47S-QB B 3.783 ambi=2 { CB:62.426 } ::sumAvg: 4.2 atom: 323 47S-QB B 3.783 ambi=2 { CB:62.426 } atom: 310 46Q-QB B 1.995 ambi=2 { CB:28.134 } ::sumAvg: 4.2 atom: 310 46Q-QB B 1.995 ambi=2 { CB:28.134 } atom: 328 48M-H N 7.622 ambi=1 { N:123.332 } ::sumAvg: 4.72 atom: 323 47S-QB B 3.783 ambi=2 { CB:62.426 } atom: 312 46Q-QG G 2.272 ambi=2 { CG:34.395 } ::sumAvg: 4.875 atom: 312 46Q-QG G 2.272 ambi=2 { CG:34.395 } atom: 340 49I-H N 8.305 ambi=1 { N:119.136 } ::sumAvg: 4.84 atom: 312 46Q-QG G 2.272 ambi=2 { CG:34.395 } atom: 342 49I-HB B 1.779 ambi=1 { CB:38.457 } ::sumAvg: 3.83 atom: 342 49I-HB B 1.779 ambi=1 { CB:38.457 } atom: 312 46Q-QG G 2.272 ambi=2 { CG:34.395 } ::sumAvg: 3.83 atom: 312 46Q-QG G 2.272 ambi=2 { CG:34.395 } atom: 355 50S-QB B 3.875 ambi=2 { CB:63.06 } ::sumAvg: 3.865 atom: 355 50S-QB B 3.875 ambi=2 { CB:63.06 } atom: 312 46Q-QG G 2.272 ambi=2 { CG:34.395 } ::sumAvg: 3.865 atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } atom: 321 47S-H N 8.397 ambi=1 { N:112.912 } :: atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } atom: 321 47S-H N 8.397 ambi=1 { N:112.912 } ::sumAvg: 4.725 atom: 323 47S-QB B 3.783 ambi=2 { CB:62.426 } atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } :: atom: 323 47S-QB B 3.783 ambi=2 { CB:62.426 } atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } ::sumAvg: 4.87 atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } atom: 323 47S-QB B 3.783 ambi=2 { CB:62.426 } :: atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } atom: 323 47S-QB B 3.783 ambi=2 { CB:62.426 } ::sumAvg: 4.87 atom: 323 47S-QB B 3.783 ambi=2 { CB:62.426 } atom: 332 48M-HE E 2.175 ambi=2 { CE:17.75 } ::sumAvg: 4.93 atom: 332 48M-HE E 2.175 ambi=2 { CE:17.75 } atom: 323 47S-QB B 3.783 ambi=2 { CB:62.426 } ::sumAvg: 4.93 atom: 323 47S-QB B 3.783 ambi=2 { CB:62.426 } atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } ::sumAvg: 4.815 atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } atom: 323 47S-QB B 3.783 ambi=2 { CB:62.426 } ::sumAvg: 4.815 atom: 332 48M-HE E 2.175 ambi=2 { CE:17.75 } atom: 328 48M-H N 7.622 ambi=1 { N:123.332 } ::sumAvg: 4.045 atom: 342 49I-HB B 1.779 ambi=1 { CB:38.457 } atom: 328 48M-H N 7.622 ambi=1 { N:123.332 } ::sumAvg: 4.755 atom: 343 49I-HG12 G1 0.586 ambi=2 { CG1:29.577 } atom: 328 48M-H N 7.622 ambi=1 { N:123.332 } :: atom: 344 49I-HG13 G1 1.629 ambi=2 { CG1:29.577 } atom: 328 48M-H N 7.622 ambi=1 { N:123.332 } ::sumAvg: 4.48 atom: 329 48M-HA A 4.024 ambi=1 { CA:59.074 } atom: 340 49I-H N 8.305 ambi=1 { N:119.136 } ::sumAvg: 3.545 atom: 329 48M-HA A 4.024 ambi=1 { CA:59.074 } atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } ::sumAvg: 4.84 atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } atom: 329 48M-HA A 4.024 ambi=1 { CA:59.074 } ::sumAvg: 4.84 atom: 329 48M-HA A 4.024 ambi=1 { CA:59.074 } atom: 353 50S-H N 8.097 ambi=1 { N:112.353 } ::sumAvg: 4.6 atom: 329 48M-HA A 4.024 ambi=1 { CA:59.074 } atom: 366 52I-H N 7.987 ambi=1 { N:120.449 } ::sumAvg: 3.855 atom: 329 48M-HA A 4.024 ambi=1 { CA:59.074 } atom: 372 52I-HD1 D1 0.513 ambi=2 { CD1:14.061 } ::sumAvg: 4.45 atom: 372 52I-HD1 D1 0.513 ambi=2 { CD1:14.061 } atom: 329 48M-HA A 4.024 ambi=1 { CA:59.074 } ::sumAvg: 4.45 atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } :: atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } ::sumAvg: 4.26 atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } :: atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } ::sumAvg: 4.26 atom: 342 49I-HB B 1.779 ambi=1 { CB:38.457 } atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } :: atom: 342 49I-HB B 1.779 ambi=1 { CB:38.457 } atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } ::sumAvg: 4.81 atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } atom: 343 49I-HG12 G1 0.586 ambi=2 { CG1:29.577 } :: atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } atom: 344 49I-HG13 G1 1.629 ambi=2 { CG1:29.577 } :: atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } atom: 343 49I-HG12 G1 0.586 ambi=2 { CG1:29.577 } :: atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } atom: 344 49I-HG13 G1 1.629 ambi=2 { CG1:29.577 } ::sumAvg: 3.34 atom: 343 49I-HG12 G1 0.586 ambi=2 { CG1:29.577 } atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } :: atom: 344 49I-HG13 G1 1.629 ambi=2 { CG1:29.577 } atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } :: atom: 343 49I-HG12 G1 0.586 ambi=2 { CG1:29.577 } atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } :: atom: 344 49I-HG13 G1 1.629 ambi=2 { CG1:29.577 } atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } ::sumAvg: 3.34 atom: 369 52I-HG12 G1 0.737 ambi=2 { CG1:29.069 } atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } :: atom: 370 52I-HG13 G1 1.685 ambi=2 { CG1:29.069 } atom: 330 48M-HB2 B 2.494 ambi=2 { CB:33.177 } :: atom: 369 52I-HG12 G1 0.737 ambi=2 { CG1:29.069 } atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } :: atom: 370 52I-HG13 G1 1.685 ambi=2 { CG1:29.069 } atom: 331 48M-HB3 B 2.553 ambi=2 { CB:33.177 } ::sumAvg: 4.295 atom: 332 48M-HE E 2.175 ambi=2 { CE:17.75 } atom: 340 49I-H N 8.305 ambi=1 { N:119.136 } ::sumAvg: 4.885 atom: 369 52I-HG12 G1 0.737 ambi=2 { CG1:29.069 } atom: 332 48M-HE E 2.175 ambi=2 { CE:17.75 } :: atom: 370 52I-HG13 G1 1.685 ambi=2 { CG1:29.069 } atom: 332 48M-HE E 2.175 ambi=2 { CE:17.75 } ::sumAvg: 4.775 atom: 372 52I-HD1 D1 0.513 ambi=2 { CD1:14.061 } atom: 332 48M-HE E 2.175 ambi=2 { CE:17.75 } ::sumAvg: 3.77 atom: 1468 65K-QE E 2.935 ambi=2 { CE:42.119 } atom: 332 48M-HE E 2.175 ambi=2 { CE:17.75 } ::sumAvg: 3.89 atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } ::sumAvg: 4.665 atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } ::sumAvg: 4.665 atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } atom: 343 49I-HG12 G1 0.586 ambi=2 { CG1:29.577 } :: atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } atom: 344 49I-HG13 G1 1.629 ambi=2 { CG1:29.577 } ::sumAvg: 4.58 atom: 343 49I-HG12 G1 0.586 ambi=2 { CG1:29.577 } atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } :: atom: 344 49I-HG13 G1 1.629 ambi=2 { CG1:29.577 } atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } ::sumAvg: 4.58 atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } atom: 361 51S-HB2 B 3.595 ambi=2 { CB:63.012 } :: atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } atom: 362 51S-HB3 B 3.804 ambi=2 { CB:63.012 } ::sumAvg: 4.69 atom: 361 51S-HB2 B 3.595 ambi=2 { CB:63.012 } atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } :: atom: 362 51S-HB3 B 3.804 ambi=2 { CB:63.012 } atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } ::sumAvg: 4.69 atom: 369 52I-HG12 G1 0.737 ambi=2 { CG1:29.069 } atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } :: atom: 370 52I-HG13 G1 1.685 ambi=2 { CG1:29.069 } atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } ::sumAvg: 4.555 atom: 372 52I-HD1 D1 0.513 ambi=2 { CD1:14.061 } atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } ::sumAvg: 4.09 atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } atom: 1466 65K-HD2 D 1.12 ambi=2 { CD:27.38 } :: atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } atom: 1467 65K-HD3 D 1.425 ambi=2 { CD:27.38 } ::sumAvg: 4.705 atom: 1466 65K-HD2 D 1.12 ambi=2 { CD:27.38 } atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } :: atom: 1467 65K-HD3 D 1.425 ambi=2 { CD:27.38 } atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } ::sumAvg: 4.705 atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } atom: 1468 65K-QE E 2.935 ambi=2 { CE:42.119 } ::sumAvg: 4.43 atom: 1468 65K-QE E 2.935 ambi=2 { CE:42.119 } atom: 6332 48M-QG G 2.174 ambi=2 { CG:33.133 } ::sumAvg: 4.43 atom: 355 50S-QB B 3.875 ambi=2 { CB:63.06 } atom: 340 49I-H N 8.305 ambi=1 { N:119.136 } ::sumAvg: 4.635 atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } atom: 354 50S-HA A 3.979 ambi=1 { CA:61.749 } ::sumAvg: 4.8 atom: 354 50S-HA A 3.979 ambi=1 { CA:61.749 } atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } ::sumAvg: 4.8 atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } atom: 359 51S-H N 7.901 ambi=1 { N:115.934 } ::sumAvg: 4.74 atom: 369 52I-HG12 G1 0.737 ambi=2 { CG1:29.069 } atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } :: atom: 370 52I-HG13 G1 1.685 ambi=2 { CG1:29.069 } atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } ::sumAvg: 3.735 atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } ::sumAvg: 4.24 atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } ::sumAvg: 4.24 atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } atom: 381 53V-HB B 2.054 ambi=1 { CB:31.767 } ::sumAvg: 4.725 atom: 381 53V-HB B 2.054 ambi=1 { CB:31.767 } atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } ::sumAvg: 4.725 atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } :: atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } ::sumAvg: 3.775 atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } :: atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } atom: 341 49I-HA A 3.194 ambi=1 { CA:66.429 } ::sumAvg: 3.775 atom: 354 50S-HA A 3.979 ambi=1 { CA:61.749 } atom: 342 49I-HB B 1.779 ambi=1 { CB:38.457 } ::sumAvg: 4.475 atom: 342 49I-HB B 1.779 ambi=1 { CB:38.457 } atom: 355 50S-QB B 3.875 ambi=2 { CB:63.06 } ::sumAvg: 4.28 atom: 355 50S-QB B 3.875 ambi=2 { CB:63.06 } atom: 342 49I-HB B 1.779 ambi=1 { CB:38.457 } ::sumAvg: 4.28 atom: 344 49I-HG13 G1 1.629 ambi=2 { CG1:29.577 } atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } ::sumAvg: 2.325 atom: 344 49I-HG13 G1 1.629 ambi=2 { CG1:29.577 } atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } :: atom: 344 49I-HG13 G1 1.629 ambi=2 { CG1:29.577 } atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } ::sumAvg: 4.87 atom: 354 50S-HA A 3.979 ambi=1 { CA:61.749 } atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } ::sumAvg: 3.235 atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } atom: 355 50S-QB B 3.875 ambi=2 { CB:63.06 } ::sumAvg: 4.06 atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } atom: 366 52I-H N 7.987 ambi=1 { N:120.449 } ::sumAvg: 4.93 atom: 381 53V-HB B 2.054 ambi=1 { CB:31.767 } atom: 345 49I-HG2 G2 0.767 ambi=2 { CG2:17.056 } ::sumAvg: 3.695 atom: 346 49I-HD1 D1 0.537 ambi=2 { CD1:13.6 } atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } ::sumAvg: 4.925 atom: 361 51S-HB2 B 3.595 ambi=2 { CB:63.012 } atom: 353 50S-H N 8.097 ambi=1 { N:112.353 } :: atom: 362 51S-HB3 B 3.804 ambi=2 { CB:63.012 } atom: 353 50S-H N 8.097 ambi=1 { N:112.353 } ::sumAvg: 4.915 atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } atom: 353 50S-H N 8.097 ambi=1 { N:112.353 } :: atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } atom: 353 50S-H N 8.097 ambi=1 { N:112.353 } ::sumAvg: 4.985 atom: 354 50S-HA A 3.979 ambi=1 { CA:61.749 } atom: 381 53V-HB B 2.054 ambi=1 { CB:31.767 } ::sumAvg: 3.515 atom: 354 50S-HA A 3.979 ambi=1 { CA:61.749 } atom: 388 54N-QB B 2.824 ambi=2 { CB:39.212 } ::sumAvg: 4.07 atom: 355 50S-QB B 3.875 ambi=2 { CB:63.06 } atom: 388 54N-QB B 2.824 ambi=2 { CB:39.212 } ::sumAvg: 4.605 atom: 388 54N-QB B 2.824 ambi=2 { CB:39.212 } atom: 355 50S-QB B 3.875 ambi=2 { CB:63.06 } ::sumAvg: 4.605 atom: 355 50S-QB B 3.875 ambi=2 { CB:63.06 } atom: 6203 54N-HD21 D2 7.487 ambi=2 { ND2:113.8 } :: atom: 355 50S-QB B 3.875 ambi=2 { CB:63.06 } atom: 6204 54N-HD22 D2 6.961 ambi=2 { ND2:113.8 } ::sumAvg: 4.08 atom: 369 52I-HG12 G1 0.737 ambi=2 { CG1:29.069 } atom: 359 51S-H N 7.901 ambi=1 { N:115.934 } :: atom: 370 52I-HG13 G1 1.685 ambi=2 { CG1:29.069 } atom: 359 51S-H N 7.901 ambi=1 { N:115.934 } ::sumAvg: 4.3 atom: 360 51S-HA A 4.114 ambi=1 { CA:62.475 } atom: 361 51S-HB2 B 3.595 ambi=2 { CB:63.012 } ::sumAvg: 2.455 atom: 360 51S-HA A 4.114 ambi=1 { CA:62.475 } atom: 366 52I-H N 7.987 ambi=1 { N:120.449 } ::sumAvg: 3.545 atom: 360 51S-HA A 4.114 ambi=1 { CA:62.475 } atom: 367 52I-HA A 3.652 ambi=1 { CA:64.84 } ::sumAvg: 4.755 atom: 367 52I-HA A 3.652 ambi=1 { CA:64.84 } atom: 360 51S-HA A 4.114 ambi=1 { CA:62.475 } ::sumAvg: 4.755 atom: 360 51S-HA A 4.114 ambi=1 { CA:62.475 } atom: 386 54N-H N 7.984 ambi=1 { N:116.134 } ::sumAvg: 4.235 atom: 360 51S-HA A 4.114 ambi=1 { CA:62.475 } atom: 388 54N-QB B 2.824 ambi=2 { CB:39.212 } ::sumAvg: 3.585 atom: 360 51S-HA A 4.114 ambi=1 { CA:62.475 } atom: 6203 54N-HD21 D2 7.487 ambi=2 { ND2:113.8 } :: atom: 360 51S-HA A 4.114 ambi=1 { CA:62.475 } atom: 6204 54N-HD22 D2 6.961 ambi=2 { ND2:113.8 } ::sumAvg: 4.68 atom: 360 51S-HA A 4.114 ambi=1 { CA:62.475 } atom: 393 55S-H N 7.52 ambi=1 { N:114 } ::sumAvg: 3.985 atom: 361 51S-HB2 B 3.595 ambi=2 { CB:63.012 } atom: 366 52I-H N 7.987 ambi=1 { N:120.449 } :: atom: 362 51S-HB3 B 3.804 ambi=2 { CB:63.012 } atom: 366 52I-H N 7.987 ambi=1 { N:120.449 } ::sumAvg: 3.21 atom: 361 51S-HB2 B 3.595 ambi=2 { CB:63.012 } atom: 369 52I-HG12 G1 0.737 ambi=2 { CG1:29.069 } :: atom: 361 51S-HB2 B 3.595 ambi=2 { CB:63.012 } atom: 370 52I-HG13 G1 1.685 ambi=2 { CG1:29.069 } :: atom: 362 51S-HB3 B 3.804 ambi=2 { CB:63.012 } atom: 369 52I-HG12 G1 0.737 ambi=2 { CG1:29.069 } :: atom: 362 51S-HB3 B 3.804 ambi=2 { CB:63.012 } atom: 370 52I-HG13 G1 1.685 ambi=2 { CG1:29.069 } ::sumAvg: 3.855 atom: 361 51S-HB2 B 3.595 ambi=2 { CB:63.012 } atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } :: atom: 362 51S-HB3 B 3.804 ambi=2 { CB:63.012 } atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } ::sumAvg: 4.78 atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } atom: 361 51S-HB2 B 3.595 ambi=2 { CB:63.012 } :: atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } atom: 362 51S-HB3 B 3.804 ambi=2 { CB:63.012 } ::sumAvg: 4.78 atom: 361 51S-HB2 B 3.595 ambi=2 { CB:63.012 } atom: 372 52I-HD1 D1 0.513 ambi=2 { CD1:14.061 } :: atom: 362 51S-HB3 B 3.804 ambi=2 { CB:63.012 } atom: 372 52I-HD1 D1 0.513 ambi=2 { CD1:14.061 } ::sumAvg: 4.925 atom: 372 52I-HD1 D1 0.513 ambi=2 { CD1:14.061 } atom: 361 51S-HB2 B 3.595 ambi=2 { CB:63.012 } :: atom: 372 52I-HD1 D1 0.513 ambi=2 { CD1:14.061 } atom: 362 51S-HB3 B 3.804 ambi=2 { CB:63.012 } ::sumAvg: 4.925 atom: 367 52I-HA A 3.652 ambi=1 { CA:64.84 } atom: 379 53V-H N 8.303 ambi=1 { N:115.656 } ::sumAvg: 3.535 atom: 367 52I-HA A 3.652 ambi=1 { CA:64.84 } atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } :: atom: 367 52I-HA A 3.652 ambi=1 { CA:64.84 } atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } ::sumAvg: 4.93 atom: 367 52I-HA A 3.652 ambi=1 { CA:64.84 } atom: 394 55S-HA A 4.507 ambi=1 { CA:58.103 } ::sumAvg: 4.67 atom: 394 55S-HA A 4.507 ambi=1 { CA:58.103 } atom: 367 52I-HA A 3.652 ambi=1 { CA:64.84 } ::sumAvg: 4.67 atom: 367 52I-HA A 3.652 ambi=1 { CA:64.84 } atom: 417 58Y-QB B 2.6705 ambi=2 { CB:38.321 } ::sumAvg: 3.94 atom: 367 52I-HA A 3.652 ambi=1 { CA:64.84 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } ::sumAvg: 4.665 atom: 380 53V-HA A 3.654 ambi=1 { CA:66.061 } atom: 368 52I-HB B 1.606 ambi=1 { CB:37.902 } ::sumAvg: 4.47 atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } atom: 368 52I-HB B 1.606 ambi=1 { CB:37.902 } :: atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } atom: 368 52I-HB B 1.606 ambi=1 { CB:37.902 } ::sumAvg: 3.815 atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } atom: 368 52I-HB B 1.606 ambi=1 { CB:37.902 } ::sumAvg: 4.8 atom: 370 52I-HG13 G1 1.685 ambi=2 { CG1:29.069 } atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } ::sumAvg: 2.325 atom: 369 52I-HG12 G1 0.737 ambi=2 { CG1:29.069 } atom: 379 53V-H N 8.303 ambi=1 { N:115.656 } :: atom: 370 52I-HG13 G1 1.685 ambi=2 { CG1:29.069 } atom: 379 53V-H N 8.303 ambi=1 { N:115.656 } ::sumAvg: 3.49 atom: 370 52I-HG13 G1 1.685 ambi=2 { CG1:29.069 } atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } :: atom: 370 52I-HG13 G1 1.685 ambi=2 { CG1:29.069 } atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } ::sumAvg: 4.195 atom: 370 52I-HG13 G1 1.685 ambi=2 { CG1:29.069 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } ::sumAvg: 4.045 atom: 380 53V-HA A 3.654 ambi=1 { CA:66.061 } atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } ::sumAvg: 4.225 atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } atom: 393 55S-H N 7.52 ambi=1 { N:114 } ::sumAvg: 4.875 atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } atom: 395 55S-QB B 3.919 ambi=2 { CB:63.9 } ::sumAvg: 4.76 atom: 395 55S-QB B 3.919 ambi=2 { CB:63.9 } atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } ::sumAvg: 4.76 atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } atom: 417 58Y-QB B 2.6705 ambi=2 { CB:38.321 } ::sumAvg: 4.535 atom: 417 58Y-QB B 2.6705 ambi=2 { CB:38.321 } atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } ::sumAvg: 4.535 atom: 371 52I-HG2 G2 0.647 ambi=2 { CG2:17.717 } atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } ::sumAvg: 4.81 atom: 388 54N-QB B 2.824 ambi=2 { CB:39.212 } atom: 379 53V-H N 8.303 ambi=1 { N:115.656 } ::sumAvg: 4.855 atom: 380 53V-HA A 3.654 ambi=1 { CA:66.061 } atom: 386 54N-H N 7.984 ambi=1 { N:116.134 } ::sumAvg: 3.52 atom: 380 53V-HA A 3.654 ambi=1 { CA:66.061 } atom: 387 54N-HA A 4.76 ambi=1 { CA:54.273 } ::sumAvg: 4.73 atom: 387 54N-HA A 4.76 ambi=1 { CA:54.273 } atom: 380 53V-HA A 3.654 ambi=1 { CA:66.061 } ::sumAvg: 4.73 atom: 380 53V-HA A 3.654 ambi=1 { CA:66.061 } atom: 393 55S-H N 7.52 ambi=1 { N:114 } ::sumAvg: 4.265 atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } atom: 387 54N-HA A 4.76 ambi=1 { CA:54.273 } :: atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } atom: 387 54N-HA A 4.76 ambi=1 { CA:54.273 } ::sumAvg: 3.225 atom: 387 54N-HA A 4.76 ambi=1 { CA:54.273 } atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } :: atom: 387 54N-HA A 4.76 ambi=1 { CA:54.273 } atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } ::sumAvg: 3.225 atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } atom: 388 54N-QB B 2.824 ambi=2 { CB:39.212 } :: atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } atom: 388 54N-QB B 2.824 ambi=2 { CB:39.212 } ::sumAvg: 4.185 atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } atom: 6203 54N-HD21 D2 7.487 ambi=2 { ND2:113.8 } :: atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } atom: 6204 54N-HD22 D2 6.961 ambi=2 { ND2:113.8 } :: atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } atom: 6203 54N-HD21 D2 7.487 ambi=2 { ND2:113.8 } :: atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } atom: 6204 54N-HD22 D2 6.961 ambi=2 { ND2:113.8 } ::sumAvg: 4.695 atom: 1381 53V-HG1 G1 0.902 ambi=2 { CG1:21.96 } atom: 393 55S-H N 7.52 ambi=1 { N:114 } :: atom: 1382 53V-HG2 G2 0.8375 ambi=2 { CG2:21.73 } atom: 393 55S-H N 7.52 ambi=1 { N:114 } ::sumAvg: 4.66 atom: 387 54N-HA A 4.76 ambi=1 { CA:54.273 } atom: 386 54N-H N 7.984 ambi=1 { N:116.134 } ::sumAvg: 2.88 atom: 394 55S-HA A 4.507 ambi=1 { CA:58.103 } atom: 386 54N-H N 7.984 ambi=1 { N:116.134 } ::sumAvg: 4.915 atom: 395 55S-QB B 3.919 ambi=2 { CB:63.9 } atom: 386 54N-H N 7.984 ambi=1 { N:116.134 } ::sumAvg: 4.695 atom: 387 54N-HA A 4.76 ambi=1 { CA:54.273 } atom: 388 54N-QB B 2.824 ambi=2 { CB:39.212 } ::sumAvg: 2.16 atom: 387 54N-HA A 4.76 ambi=1 { CA:54.273 } atom: 6203 54N-HD21 D2 7.487 ambi=2 { ND2:113.8 } :: atom: 387 54N-HA A 4.76 ambi=1 { CA:54.273 } atom: 6204 54N-HD22 D2 6.961 ambi=2 { ND2:113.8 } ::sumAvg: 4.34 atom: 387 54N-HA A 4.76 ambi=1 { CA:54.273 } atom: 393 55S-H N 7.52 ambi=1 { N:114 } ::sumAvg: 3.295 atom: 387 54N-HA A 4.76 ambi=1 { CA:54.273 } atom: 395 55S-QB B 3.919 ambi=2 { CB:63.9 } ::sumAvg: 4.52 atom: 388 54N-QB B 2.824 ambi=2 { CB:39.212 } atom: 394 55S-HA A 4.507 ambi=1 { CA:58.103 } ::sumAvg: 4.35 atom: 394 55S-HA A 4.507 ambi=1 { CA:58.103 } atom: 388 54N-QB B 2.824 ambi=2 { CB:39.212 } ::sumAvg: 4.35 atom: 394 55S-HA A 4.507 ambi=1 { CA:58.103 } atom: 401 56T-HA A 4.091 ambi=1 { CA:62.24 } ::sumAvg: 4.82 atom: 401 56T-HA A 4.091 ambi=1 { CA:62.24 } atom: 394 55S-HA A 4.507 ambi=1 { CA:58.103 } ::sumAvg: 4.82 atom: 394 55S-HA A 4.507 ambi=1 { CA:58.103 } atom: 6402 56T-HG2 G2 1.018 ambi=1 { CG2:21.633 } ::sumAvg: 4.875 atom: 6402 56T-HG2 G2 1.018 ambi=1 { CG2:21.633 } atom: 394 55S-HA A 4.507 ambi=1 { CA:58.103 } ::sumAvg: 4.875 atom: 394 55S-HA A 4.507 ambi=1 { CA:58.103 } atom: 407 57Y-H N 7.847 ambi=1 { N:120.408 } ::sumAvg: 4.38 atom: 394 55S-HA A 4.507 ambi=1 { CA:58.103 } atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } ::sumAvg: 4.67 atom: 395 55S-QB B 3.919 ambi=2 { CB:63.9 } atom: 400 56T-H N 8.246 ambi=1 { N:113.388 } ::sumAvg: 2.97 atom: 395 55S-QB B 3.919 ambi=2 { CB:63.9 } atom: 414 58Y-H N 7.667 ambi=1 { N:122.335 } ::sumAvg: 4.87 atom: 395 55S-QB B 3.919 ambi=2 { CB:63.9 } atom: 417 58Y-QB B 2.6705 ambi=2 { CB:38.321 } ::sumAvg: 4.18 atom: 401 56T-HA A 4.091 ambi=1 { CA:62.24 } atom: 7608 57Y-QD D 6.963 ambi=3 { CD1:133 } ::sumAvg: 4.765 atom: 401 56T-HA A 4.091 ambi=1 { CA:62.24 } atom: 414 58Y-H N 7.667 ambi=1 { N:122.335 } ::sumAvg: 4.985 atom: 402 56T-HB B 4.076 ambi=1 { CB:68.925 } atom: 7608 57Y-QD D 6.963 ambi=3 { CD1:133 } ::sumAvg: 3.695 atom: 402 56T-HB B 4.076 ambi=1 { CB:68.925 } atom: 7610 57Y-QE E 6.677 ambi=3 { CE1:118.1 } ::sumAvg: 4.41 atom: 6402 56T-HG2 G2 1.018 ambi=1 { CG2:21.633 } atom: 408 57Y-HA A 4.385 ambi=1 { CA:57.924 } ::sumAvg: 4.45 atom: 408 57Y-HA A 4.385 ambi=1 { CA:57.924 } atom: 6402 56T-HG2 G2 1.018 ambi=1 { CG2:21.633 } ::sumAvg: 4.45 atom: 409 57Y-HB2 B 2.769 ambi=2 { CB:38.781 } atom: 6402 56T-HG2 G2 1.018 ambi=1 { CG2:21.633 } :: atom: 410 57Y-HB3 B 2.889 ambi=2 { CB:38.781 } atom: 6402 56T-HG2 G2 1.018 ambi=1 { CG2:21.633 } ::sumAvg: 4.87 atom: 415 58Y-HA A 4.288 ambi=1 { CA:57.726 } atom: 407 57Y-H N 7.847 ambi=1 { N:120.408 } ::sumAvg: 4.665 atom: 417 58Y-QB B 2.6705 ambi=2 { CB:38.321 } atom: 407 57Y-H N 7.847 ambi=1 { N:120.408 } ::sumAvg: 4.71 atom: 408 57Y-HA A 4.385 ambi=1 { CA:57.924 } atom: 417 58Y-QB B 2.6705 ambi=2 { CB:38.321 } ::sumAvg: 4.76 atom: 417 58Y-QB B 2.6705 ambi=2 { CB:38.321 } atom: 408 57Y-HA A 4.385 ambi=1 { CA:57.924 } ::sumAvg: 4.76 atom: 408 57Y-HA A 4.385 ambi=1 { CA:57.924 } atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } ::sumAvg: 4.99 atom: 409 57Y-HB2 B 2.769 ambi=2 { CB:38.781 } atom: 7610 57Y-QE E 6.677 ambi=3 { CE1:118.1 } :: atom: 410 57Y-HB3 B 2.889 ambi=2 { CB:38.781 } atom: 7610 57Y-QE E 6.677 ambi=3 { CE1:118.1 } ::sumAvg: 4.425 atom: 409 57Y-HB2 B 2.769 ambi=2 { CB:38.781 } atom: 415 58Y-HA A 4.288 ambi=1 { CA:57.726 } :: atom: 410 57Y-HB3 B 2.889 ambi=2 { CB:38.781 } atom: 415 58Y-HA A 4.288 ambi=1 { CA:57.726 } ::sumAvg: 4.76 atom: 415 58Y-HA A 4.288 ambi=1 { CA:57.726 } atom: 423 59A-HB B 1.016 ambi=1 { CB:19.158 } ::sumAvg: 4.13 atom: 423 59A-HB B 1.016 ambi=1 { CB:19.158 } atom: 415 58Y-HA A 4.288 ambi=1 { CA:57.726 } ::sumAvg: 4.13 atom: 415 58Y-HA A 4.288 ambi=1 { CA:57.726 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } ::sumAvg: 4.875 atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } atom: 415 58Y-HA A 4.288 ambi=1 { CA:57.726 } ::sumAvg: 4.875 atom: 417 58Y-QB B 2.6705 ambi=2 { CB:38.321 } atom: 7606 58Y-QE E 6.694 ambi=3 { CE1:118.2 } ::sumAvg: 3.95 atom: 422 59A-HA A 3.929 ambi=1 { CA:52.466 } atom: 417 58Y-QB B 2.6705 ambi=2 { CB:38.321 } ::sumAvg: 4.42 atom: 417 58Y-QB B 2.6705 ambi=2 { CB:38.321 } atom: 423 59A-HB B 1.016 ambi=1 { CB:19.158 } ::sumAvg: 4.525 atom: 423 59A-HB B 1.016 ambi=1 { CB:19.158 } atom: 417 58Y-QB B 2.6705 ambi=2 { CB:38.321 } ::sumAvg: 4.525 atom: 417 58Y-QB B 2.6705 ambi=2 { CB:38.321 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } ::sumAvg: 4.74 atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } atom: 417 58Y-QB B 2.6705 ambi=2 { CB:38.321 } ::sumAvg: 4.74 atom: 422 59A-HA A 3.929 ambi=1 { CA:52.466 } atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } ::sumAvg: 4.86 atom: 423 59A-HB B 1.016 ambi=1 { CB:19.158 } atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } ::sumAvg: 4.96 atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } atom: 7604 58Y-QD D 6.805 ambi=3 { CD1:132.7 } ::sumAvg: 4.095 atom: 422 59A-HA A 3.929 ambi=1 { CA:52.466 } atom: 428 60N-HA A 4.542 ambi=1 { CA:52.958 } ::sumAvg: 4.795 atom: 428 60N-HA A 4.542 ambi=1 { CA:52.958 } atom: 422 59A-HA A 3.929 ambi=1 { CA:52.466 } ::sumAvg: 4.795 atom: 423 59A-HB B 1.016 ambi=1 { CB:19.158 } atom: 428 60N-HA A 4.542 ambi=1 { CA:52.958 } ::sumAvg: 4.085 atom: 428 60N-HA A 4.542 ambi=1 { CA:52.958 } atom: 423 59A-HB B 1.016 ambi=1 { CB:19.158 } ::sumAvg: 4.085 atom: 423 59A-HB B 1.016 ambi=1 { CB:19.158 } atom: 429 60N-HB2 B 2.555 ambi=2 { CB:37.837 } :: atom: 423 59A-HB B 1.016 ambi=1 { CB:19.158 } atom: 430 60N-HB3 B 2.732 ambi=2 { CB:37.837 } ::sumAvg: 4.525 atom: 429 60N-HB2 B 2.555 ambi=2 { CB:37.837 } atom: 423 59A-HB B 1.016 ambi=1 { CB:19.158 } :: atom: 430 60N-HB3 B 2.732 ambi=2 { CB:37.837 } atom: 423 59A-HB B 1.016 ambi=1 { CB:19.158 } ::sumAvg: 4.525 atom: 423 59A-HB B 1.016 ambi=1 { CB:19.158 } atom: 437 61V-H N 7.9 ambi=1 { N:122.088 } ::sumAvg: 4.805 atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } atom: 427 60N-H N 7.622 ambi=1 { N:116.033 } ::sumAvg: 4.32 atom: 428 60N-HA A 4.542 ambi=1 { CA:52.958 } atom: 431 60N-HD21 D2 7.423 ambi=2 { ND2:111.8 } :: atom: 428 60N-HA A 4.542 ambi=1 { CA:52.958 } atom: 432 60N-HD22 D2 6.811 ambi=2 { ND2:111.8 } ::sumAvg: 4.345 atom: 428 60N-HA A 4.542 ambi=1 { CA:52.958 } atom: 438 61V-HA A 4.135 ambi=1 { CA:61.668 } ::sumAvg: 4.61 atom: 438 61V-HA A 4.135 ambi=1 { CA:61.668 } atom: 428 60N-HA A 4.542 ambi=1 { CA:52.958 } ::sumAvg: 4.61 atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } atom: 428 60N-HA A 4.542 ambi=1 { CA:52.958 } ::sumAvg: 3.97 atom: 429 60N-HB2 B 2.555 ambi=2 { CB:37.837 } atom: 438 61V-HA A 4.135 ambi=1 { CA:61.668 } :: atom: 430 60N-HB3 B 2.732 ambi=2 { CB:37.837 } atom: 438 61V-HA A 4.135 ambi=1 { CA:61.668 } ::sumAvg: 4.445 atom: 438 61V-HA A 4.135 ambi=1 { CA:61.668 } atom: 429 60N-HB2 B 2.555 ambi=2 { CB:37.837 } :: atom: 438 61V-HA A 4.135 ambi=1 { CA:61.668 } atom: 430 60N-HB3 B 2.732 ambi=2 { CB:37.837 } ::sumAvg: 4.445 atom: 429 60N-HB2 B 2.555 ambi=2 { CB:37.837 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } :: atom: 430 60N-HB3 B 2.732 ambi=2 { CB:37.837 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } ::sumAvg: 4.335 atom: 439 61V-HB B 1.936 ambi=1 { CB:32.702 } atom: 447 62S-H N 8.64 ambi=1 { N:124.689 } ::sumAvg: 3.38 atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } atom: 448 62S-HA A 4.388 ambi=1 { CA:58.187 } ::sumAvg: 3.97 atom: 448 62S-HA A 4.388 ambi=1 { CA:58.187 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } ::sumAvg: 3.97 atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } atom: 449 62S-HB2 B 4.057 ambi=2 { CB:64.87 } :: atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } atom: 450 62S-HB3 B 4.377 ambi=2 { CB:64.87 } ::sumAvg: 4.15 atom: 449 62S-HB2 B 4.057 ambi=2 { CB:64.87 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } :: atom: 450 62S-HB3 B 4.377 ambi=2 { CB:64.87 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } ::sumAvg: 4.15 atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } atom: 454 63A-H N 9.045 ambi=1 { N:125.907 } ::sumAvg: 4.675 atom: 455 63A-HA A 4.167 ambi=1 { CA:55.96 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } ::sumAvg: 4.23 atom: 456 63A-HB B 1.513 ambi=1 { CB:17.695 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } ::sumAvg: 4.91 atom: 1464 65K-HG2 G 1.5 ambi=2 { CG:24.655 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } :: atom: 1465 65K-HG3 G 1.445 ambi=2 { CG:24.655 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } ::sumAvg: 4.105 atom: 1467 65K-HD3 D 1.425 ambi=2 { CD:27.38 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } ::sumAvg: 4.55 atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } atom: 478 66C-HB2 B 2.358 ambi=2 { CB:26.493 } :: atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } ::sumAvg: 3.68 atom: 478 66C-HB2 B 2.358 ambi=2 { CB:26.493 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } :: atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } atom: 440 61V-QG G 0.885 ambi=2 { QCG:21.43 } ::sumAvg: 3.68 atom: 1464 65K-HG2 G 1.5 ambi=2 { CG:24.655 } atom: 447 62S-H N 8.64 ambi=1 { N:124.689 } :: atom: 1465 65K-HG3 G 1.445 ambi=2 { CG:24.655 } atom: 447 62S-H N 8.64 ambi=1 { N:124.689 } ::sumAvg: 4.585 atom: 1466 65K-HD2 D 1.12 ambi=2 { CD:27.38 } atom: 447 62S-H N 8.64 ambi=1 { N:124.689 } :: atom: 1467 65K-HD3 D 1.425 ambi=2 { CD:27.38 } atom: 447 62S-H N 8.64 ambi=1 { N:124.689 } ::sumAvg: 4.445 atom: 1468 65K-QE E 2.935 ambi=2 { CE:42.119 } atom: 447 62S-H N 8.64 ambi=1 { N:124.689 } ::sumAvg: 4.565 atom: 448 62S-HA A 4.388 ambi=1 { CA:58.187 } atom: 460 64A-H N 8.447 ambi=1 { N:119.531 } ::sumAvg: 3.955 atom: 448 62S-HA A 4.388 ambi=1 { CA:58.187 } atom: 462 64A-HB B 1.404 ambi=1 { CB:17.949 } ::sumAvg: 4.89 atom: 462 64A-HB B 1.404 ambi=1 { CB:17.949 } atom: 448 62S-HA A 4.388 ambi=1 { CA:58.187 } ::sumAvg: 4.89 atom: 448 62S-HA A 4.388 ambi=1 { CA:58.187 } atom: 466 65K-H N 7.92 ambi=1 { N:120.121 } ::sumAvg: 4.685 atom: 449 62S-HB2 B 4.057 ambi=2 { CB:64.87 } atom: 456 63A-HB B 1.513 ambi=1 { CB:17.695 } :: atom: 450 62S-HB3 B 4.377 ambi=2 { CB:64.87 } atom: 456 63A-HB B 1.513 ambi=1 { CB:17.695 } ::sumAvg: 4.695 atom: 449 62S-HB2 B 4.057 ambi=2 { CB:64.87 } atom: 468 65K-HB2 B 1.677 ambi=2 { CB:30.726 } :: atom: 449 62S-HB2 B 4.057 ambi=2 { CB:64.87 } atom: 469 65K-HB3 B 2.081 ambi=2 { CB:30.726 } :: atom: 450 62S-HB3 B 4.377 ambi=2 { CB:64.87 } atom: 468 65K-HB2 B 1.677 ambi=2 { CB:30.726 } :: atom: 450 62S-HB3 B 4.377 ambi=2 { CB:64.87 } atom: 469 65K-HB3 B 2.081 ambi=2 { CB:30.726 } ::sumAvg: 3.89 atom: 468 65K-HB2 B 1.677 ambi=2 { CB:30.726 } atom: 449 62S-HB2 B 4.057 ambi=2 { CB:64.87 } :: atom: 469 65K-HB3 B 2.081 ambi=2 { CB:30.726 } atom: 449 62S-HB2 B 4.057 ambi=2 { CB:64.87 } :: atom: 468 65K-HB2 B 1.677 ambi=2 { CB:30.726 } atom: 450 62S-HB3 B 4.377 ambi=2 { CB:64.87 } :: atom: 469 65K-HB3 B 2.081 ambi=2 { CB:30.726 } atom: 450 62S-HB3 B 4.377 ambi=2 { CB:64.87 } ::sumAvg: 3.89 atom: 1466 65K-HD2 D 1.12 ambi=2 { CD:27.38 } atom: 449 62S-HB2 B 4.057 ambi=2 { CB:64.87 } :: atom: 1467 65K-HD3 D 1.425 ambi=2 { CD:27.38 } atom: 449 62S-HB2 B 4.057 ambi=2 { CB:64.87 } :: atom: 1466 65K-HD2 D 1.12 ambi=2 { CD:27.38 } atom: 450 62S-HB3 B 4.377 ambi=2 { CB:64.87 } :: atom: 1467 65K-HD3 D 1.425 ambi=2 { CD:27.38 } atom: 450 62S-HB3 B 4.377 ambi=2 { CB:64.87 } ::sumAvg: 4.315 atom: 449 62S-HB2 B 4.057 ambi=2 { CB:64.87 } atom: 1468 65K-QE E 2.935 ambi=2 { CE:42.119 } :: atom: 450 62S-HB3 B 4.377 ambi=2 { CB:64.87 } atom: 1468 65K-QE E 2.935 ambi=2 { CE:42.119 } ::sumAvg: 4.31 atom: 1468 65K-QE E 2.935 ambi=2 { CE:42.119 } atom: 449 62S-HB2 B 4.057 ambi=2 { CB:64.87 } :: atom: 1468 65K-QE E 2.935 ambi=2 { CE:42.119 } atom: 450 62S-HB3 B 4.377 ambi=2 { CB:64.87 } ::sumAvg: 4.31 atom: 462 64A-HB B 1.404 ambi=1 { CB:17.949 } atom: 454 63A-H N 9.045 ambi=1 { N:125.907 } ::sumAvg: 4.365 atom: 455 63A-HA A 4.167 ambi=1 { CA:55.96 } atom: 466 65K-H N 7.92 ambi=1 { N:120.121 } ::sumAvg: 4.33 atom: 455 63A-HA A 4.167 ambi=1 { CA:55.96 } atom: 483 67Q-H N 8.062 ambi=1 { N:118.729 } ::sumAvg: 3.495 atom: 455 63A-HA A 4.167 ambi=1 { CA:55.96 } atom: 485 67Q-HB2 B 2.046 ambi=2 { CB:27.602 } :: atom: 455 63A-HA A 4.167 ambi=1 { CA:55.96 } atom: 486 67Q-HB3 B 2.181 ambi=2 { CB:27.602 } ::sumAvg: 4.62 atom: 485 67Q-HB2 B 2.046 ambi=2 { CB:27.602 } atom: 455 63A-HA A 4.167 ambi=1 { CA:55.96 } :: atom: 486 67Q-HB3 B 2.181 ambi=2 { CB:27.602 } atom: 455 63A-HA A 4.167 ambi=1 { CA:55.96 } ::sumAvg: 4.62 atom: 455 63A-HA A 4.167 ambi=1 { CA:55.96 } atom: 487 67Q-QG G 2.595 ambi=2 { CG:33.601 } ::sumAvg: 4.83 atom: 487 67Q-QG G 2.595 ambi=2 { CG:33.601 } atom: 455 63A-HA A 4.167 ambi=1 { CA:55.96 } ::sumAvg: 4.83 atom: 456 63A-HB B 1.513 ambi=1 { CB:17.695 } atom: 461 64A-HA A 4.074 ambi=1 { CA:55.466 } ::sumAvg: 3.89 atom: 461 64A-HA A 4.074 ambi=1 { CA:55.466 } atom: 456 63A-HB B 1.513 ambi=1 { CB:17.695 } ::sumAvg: 3.89 atom: 456 63A-HB B 1.513 ambi=1 { CB:17.695 } atom: 466 65K-H N 7.92 ambi=1 { N:120.121 } ::sumAvg: 4.665 atom: 456 63A-HB B 1.513 ambi=1 { CB:17.695 } atom: 476 66C-H N 8.177 ambi=1 { N:118.973 } ::sumAvg: 4.585 atom: 456 63A-HB B 1.513 ambi=1 { CB:17.695 } atom: 478 66C-HB2 B 2.358 ambi=2 { CB:26.493 } :: atom: 456 63A-HB B 1.513 ambi=1 { CB:17.695 } atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } ::sumAvg: 3.835 atom: 478 66C-HB2 B 2.358 ambi=2 { CB:26.493 } atom: 456 63A-HB B 1.513 ambi=1 { CB:17.695 } :: atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } atom: 456 63A-HB B 1.513 ambi=1 { CB:17.695 } ::sumAvg: 3.835 atom: 456 63A-HB B 1.513 ambi=1 { CB:17.695 } atom: 483 67Q-H N 8.062 ambi=1 { N:118.729 } ::sumAvg: 4.19 atom: 456 63A-HB B 1.513 ambi=1 { CB:17.695 } atom: 485 67Q-HB2 B 2.046 ambi=2 { CB:27.602 } :: atom: 456 63A-HB B 1.513 ambi=1 { CB:17.695 } atom: 486 67Q-HB3 B 2.181 ambi=2 { CB:27.602 } ::sumAvg: 4.03 atom: 485 67Q-HB2 B 2.046 ambi=2 { CB:27.602 } atom: 456 63A-HB B 1.513 ambi=1 { CB:17.695 } :: atom: 486 67Q-HB3 B 2.181 ambi=2 { CB:27.602 } atom: 456 63A-HB B 1.513 ambi=1 { CB:17.695 } ::sumAvg: 4.03 atom: 456 63A-HB B 1.513 ambi=1 { CB:17.695 } atom: 487 67Q-QG G 2.595 ambi=2 { CG:33.601 } ::sumAvg: 4.52 atom: 487 67Q-QG G 2.595 ambi=2 { CG:33.601 } atom: 456 63A-HB B 1.513 ambi=1 { CB:17.695 } ::sumAvg: 4.52 atom: 468 65K-HB2 B 1.677 ambi=2 { CB:30.726 } atom: 460 64A-H N 8.447 ambi=1 { N:119.531 } :: atom: 469 65K-HB3 B 2.081 ambi=2 { CB:30.726 } atom: 460 64A-H N 8.447 ambi=1 { N:119.531 } ::sumAvg: 4.785 atom: 478 66C-HB2 B 2.358 ambi=2 { CB:26.493 } atom: 460 64A-H N 8.447 ambi=1 { N:119.531 } :: atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } atom: 460 64A-H N 8.447 ambi=1 { N:119.531 } ::sumAvg: 4.985 atom: 461 64A-HA A 4.074 ambi=1 { CA:55.466 } atom: 466 65K-H N 7.92 ambi=1 { N:120.121 } ::sumAvg: 3.54 atom: 461 64A-HA A 4.074 ambi=1 { CA:55.466 } atom: 476 66C-H N 8.177 ambi=1 { N:118.973 } ::sumAvg: 4.47 atom: 461 64A-HA A 4.074 ambi=1 { CA:55.466 } atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } ::sumAvg: 3.77 atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } atom: 461 64A-HA A 4.074 ambi=1 { CA:55.466 } ::sumAvg: 3.77 atom: 500 68E-QG G 2.112 ambi=2 { CG:36.033 } atom: 461 64A-HA A 4.074 ambi=1 { CA:55.466 } ::sumAvg: 4.505 atom: 462 64A-HB B 1.404 ambi=1 { CB:17.949 } atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } ::sumAvg: 3.875 atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } atom: 462 64A-HB B 1.404 ambi=1 { CB:17.949 } ::sumAvg: 3.875 atom: 462 64A-HB B 1.404 ambi=1 { CB:17.949 } atom: 469 65K-HB3 B 2.081 ambi=2 { CB:30.726 } ::sumAvg: 4.46 atom: 462 64A-HB B 1.404 ambi=1 { CB:17.949 } atom: 1468 65K-QE E 2.935 ambi=2 { CE:42.119 } ::sumAvg: 4.125 atom: 1468 65K-QE E 2.935 ambi=2 { CE:42.119 } atom: 462 64A-HB B 1.404 ambi=1 { CB:17.949 } ::sumAvg: 4.125 atom: 462 64A-HB B 1.404 ambi=1 { CB:17.949 } atom: 476 66C-H N 8.177 ambi=1 { N:118.973 } ::sumAvg: 4.565 atom: 462 64A-HB B 1.404 ambi=1 { CB:17.949 } atom: 483 67Q-H N 8.062 ambi=1 { N:118.729 } ::sumAvg: 4.94 atom: 462 64A-HB B 1.404 ambi=1 { CB:17.949 } atom: 496 68E-H N 8.234 ambi=1 { N:121.128 } ::sumAvg: 4.735 atom: 462 64A-HB B 1.404 ambi=1 { CB:17.949 } atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } ::sumAvg: 4.155 atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } atom: 462 64A-HB B 1.404 ambi=1 { CB:17.949 } ::sumAvg: 4.155 atom: 462 64A-HB B 1.404 ambi=1 { CB:17.949 } atom: 500 68E-QG G 2.112 ambi=2 { CG:36.033 } ::sumAvg: 4.365 atom: 500 68E-QG G 2.112 ambi=2 { CG:36.033 } atom: 462 64A-HB B 1.404 ambi=1 { CB:17.949 } ::sumAvg: 4.365 atom: 1466 65K-HD2 D 1.12 ambi=2 { CD:27.38 } atom: 466 65K-H N 7.92 ambi=1 { N:120.121 } :: atom: 1467 65K-HD3 D 1.425 ambi=2 { CD:27.38 } atom: 466 65K-H N 7.92 ambi=1 { N:120.121 } ::sumAvg: 3.035 atom: 1468 65K-QE E 2.935 ambi=2 { CE:42.119 } atom: 466 65K-H N 7.92 ambi=1 { N:120.121 } ::sumAvg: 4.375 atom: 478 66C-HB2 B 2.358 ambi=2 { CB:26.493 } atom: 466 65K-H N 7.92 ambi=1 { N:120.121 } :: atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } atom: 466 65K-H N 7.92 ambi=1 { N:120.121 } ::sumAvg: 4.415 atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } atom: 1464 65K-HG2 G 1.5 ambi=2 { CG:24.655 } :: atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } atom: 1465 65K-HG3 G 1.445 ambi=2 { CG:24.655 } ::sumAvg: 2.8 atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } atom: 1466 65K-HD2 D 1.12 ambi=2 { CD:27.38 } :: atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } atom: 1467 65K-HD3 D 1.425 ambi=2 { CD:27.38 } ::sumAvg: 3.075 atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } atom: 476 66C-H N 8.177 ambi=1 { N:118.973 } ::sumAvg: 3.54 atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } atom: 483 67Q-H N 8.062 ambi=1 { N:118.729 } ::sumAvg: 4.75 atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } atom: 506 69F-H N 8.636 ambi=1 { N:120.807 } ::sumAvg: 3.445 atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } :: atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } ::sumAvg: 4.31 atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } :: atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } atom: 467 65K-HA A 4.151 ambi=1 { CA:57.729 } ::sumAvg: 4.31 atom: 1466 65K-HD2 D 1.12 ambi=2 { CD:27.38 } atom: 468 65K-HB2 B 1.677 ambi=2 { CB:30.726 } :: atom: 1466 65K-HD2 D 1.12 ambi=2 { CD:27.38 } atom: 469 65K-HB3 B 2.081 ambi=2 { CB:30.726 } :: atom: 1467 65K-HD3 D 1.425 ambi=2 { CD:27.38 } atom: 469 65K-HB3 B 2.081 ambi=2 { CB:30.726 } ::sumAvg: 2.48 atom: 468 65K-HB2 B 1.677 ambi=2 { CB:30.726 } atom: 477 66C-HA A 3.901 ambi=1 { CA:64.775 } :: atom: 469 65K-HB3 B 2.081 ambi=2 { CB:30.726 } atom: 477 66C-HA A 3.901 ambi=1 { CA:64.775 } ::sumAvg: 4.375 atom: 477 66C-HA A 3.901 ambi=1 { CA:64.775 } atom: 468 65K-HB2 B 1.677 ambi=2 { CB:30.726 } :: atom: 477 66C-HA A 3.901 ambi=1 { CA:64.775 } atom: 469 65K-HB3 B 2.081 ambi=2 { CB:30.726 } ::sumAvg: 4.375 atom: 468 65K-HB2 B 1.677 ambi=2 { CB:30.726 } atom: 478 66C-HB2 B 2.358 ambi=2 { CB:26.493 } :: atom: 468 65K-HB2 B 1.677 ambi=2 { CB:30.726 } atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } :: atom: 469 65K-HB3 B 2.081 ambi=2 { CB:30.726 } atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } ::sumAvg: 4.495 atom: 478 66C-HB2 B 2.358 ambi=2 { CB:26.493 } atom: 468 65K-HB2 B 1.677 ambi=2 { CB:30.726 } :: atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } atom: 468 65K-HB2 B 1.677 ambi=2 { CB:30.726 } :: atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } atom: 469 65K-HB3 B 2.081 ambi=2 { CB:30.726 } ::sumAvg: 4.495 atom: 468 65K-HB2 B 1.677 ambi=2 { CB:30.726 } atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } :: atom: 468 65K-HB2 B 1.677 ambi=2 { CB:30.726 } atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } :: atom: 469 65K-HB3 B 2.081 ambi=2 { CB:30.726 } atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } :: atom: 469 65K-HB3 B 2.081 ambi=2 { CB:30.726 } atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } ::sumAvg: 4.23 atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } atom: 468 65K-HB2 B 1.677 ambi=2 { CB:30.726 } :: atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } atom: 468 65K-HB2 B 1.677 ambi=2 { CB:30.726 } :: atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } atom: 469 65K-HB3 B 2.081 ambi=2 { CB:30.726 } :: atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } atom: 469 65K-HB3 B 2.081 ambi=2 { CB:30.726 } ::sumAvg: 4.23 atom: 1464 65K-HG2 G 1.5 ambi=2 { CG:24.655 } atom: 476 66C-H N 8.177 ambi=1 { N:118.973 } :: atom: 1465 65K-HG3 G 1.445 ambi=2 { CG:24.655 } atom: 476 66C-H N 8.177 ambi=1 { N:118.973 } ::sumAvg: 4.735 atom: 1466 65K-HD2 D 1.12 ambi=2 { CD:27.38 } atom: 1468 65K-QE E 2.935 ambi=2 { CE:42.119 } :: atom: 1467 65K-HD3 D 1.425 ambi=2 { CD:27.38 } atom: 1468 65K-QE E 2.935 ambi=2 { CE:42.119 } ::sumAvg: 2.315 atom: 1466 65K-HD2 D 1.12 ambi=2 { CD:27.38 } atom: 476 66C-H N 8.177 ambi=1 { N:118.973 } :: atom: 1467 65K-HD3 D 1.425 ambi=2 { CD:27.38 } atom: 476 66C-H N 8.177 ambi=1 { N:118.973 } ::sumAvg: 4.685 atom: 485 67Q-HB2 B 2.046 ambi=2 { CB:27.602 } atom: 476 66C-H N 8.177 ambi=1 { N:118.973 } :: atom: 486 67Q-HB3 B 2.181 ambi=2 { CB:27.602 } atom: 476 66C-H N 8.177 ambi=1 { N:118.973 } ::sumAvg: 4.74 atom: 477 66C-HA A 3.901 ambi=1 { CA:64.775 } atom: 483 67Q-H N 8.062 ambi=1 { N:118.729 } ::sumAvg: 3.54 atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } atom: 477 66C-HA A 3.901 ambi=1 { CA:64.775 } :: atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } atom: 477 66C-HA A 3.901 ambi=1 { CA:64.775 } ::sumAvg: 3.27 atom: 477 66C-HA A 3.901 ambi=1 { CA:64.775 } atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } ::sumAvg: 4.135 atom: 477 66C-HA A 3.901 ambi=1 { CA:64.775 } atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } ::sumAvg: 4.275 atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } atom: 477 66C-HA A 3.901 ambi=1 { CA:64.775 } ::sumAvg: 4.275 atom: 478 66C-HB2 B 2.358 ambi=2 { CB:26.493 } atom: 484 67Q-HA A 4.034 ambi=1 { CA:58.643 } :: atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } atom: 484 67Q-HA A 4.034 ambi=1 { CA:58.643 } ::sumAvg: 4.395 atom: 484 67Q-HA A 4.034 ambi=1 { CA:58.643 } atom: 478 66C-HB2 B 2.358 ambi=2 { CB:26.493 } :: atom: 484 67Q-HA A 4.034 ambi=1 { CA:58.643 } atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } ::sumAvg: 4.395 atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } atom: 485 67Q-HB2 B 2.046 ambi=2 { CB:27.602 } :: atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } atom: 486 67Q-HB3 B 2.181 ambi=2 { CB:27.602 } ::sumAvg: 4.49 atom: 485 67Q-HB2 B 2.046 ambi=2 { CB:27.602 } atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } :: atom: 486 67Q-HB3 B 2.181 ambi=2 { CB:27.602 } atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } ::sumAvg: 4.49 atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } atom: 487 67Q-QG G 2.595 ambi=2 { CG:33.601 } ::sumAvg: 4.39 atom: 487 67Q-QG G 2.595 ambi=2 { CG:33.601 } atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } ::sumAvg: 4.39 atom: 478 66C-HB2 B 2.358 ambi=2 { CB:26.493 } atom: 496 68E-H N 8.234 ambi=1 { N:121.128 } :: atom: 479 66C-HB3 B 3.377 ambi=2 { CB:26.493 } atom: 496 68E-H N 8.234 ambi=1 { N:121.128 } ::sumAvg: 4.94 atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } atom: 483 67Q-H N 8.062 ambi=1 { N:118.729 } ::sumAvg: 4.52 atom: 484 67Q-HA A 4.034 ambi=1 { CA:58.643 } atom: 506 69F-H N 8.636 ambi=1 { N:120.807 } ::sumAvg: 4.87 atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } atom: 484 67Q-HA A 4.034 ambi=1 { CA:58.643 } ::sumAvg: 3.885 atom: 484 67Q-HA A 4.034 ambi=1 { CA:58.643 } atom: 518 71R-H N 7.804 ambi=1 { N:120.908 } ::sumAvg: 4.08 atom: 485 67Q-HB2 B 2.046 ambi=2 { CB:27.602 } atom: 489 67Q-HE21 E2 7.053 ambi=2 { NE2:111.6 } :: atom: 485 67Q-HB2 B 2.046 ambi=2 { CB:27.602 } atom: 490 67Q-HE22 E2 7.486 ambi=2 { NE2:111.6 } :: atom: 486 67Q-HB3 B 2.181 ambi=2 { CB:27.602 } atom: 489 67Q-HE21 E2 7.053 ambi=2 { NE2:111.6 } :: atom: 486 67Q-HB3 B 2.181 ambi=2 { CB:27.602 } atom: 490 67Q-HE22 E2 7.486 ambi=2 { NE2:111.6 } ::sumAvg: 3.87 atom: 497 68E-HA A 3.864 ambi=1 { CA:59.624 } atom: 485 67Q-HB2 B 2.046 ambi=2 { CB:27.602 } :: atom: 497 68E-HA A 3.864 ambi=1 { CA:59.624 } atom: 486 67Q-HB3 B 2.181 ambi=2 { CB:27.602 } ::sumAvg: 4.28 atom: 487 67Q-QG G 2.595 ambi=2 { CG:33.601 } atom: 496 68E-H N 8.234 ambi=1 { N:121.128 } ::sumAvg: 3.805 atom: 487 67Q-QG G 2.595 ambi=2 { CG:33.601 } atom: 497 68E-HA A 3.864 ambi=1 { CA:59.624 } ::sumAvg: 4.6 atom: 497 68E-HA A 3.864 ambi=1 { CA:59.624 } atom: 487 67Q-QG G 2.595 ambi=2 { CG:33.601 } ::sumAvg: 4.6 atom: 497 68E-HA A 3.864 ambi=1 { CA:59.624 } atom: 522 71R-HD2 D 3.267 ambi=2 { CD:43.534 } :: atom: 497 68E-HA A 3.864 ambi=1 { CA:59.624 } atom: 523 71R-HD3 D 3.154 ambi=2 { CD:43.534 } ::sumAvg: 3.295 atom: 497 68E-HA A 3.864 ambi=1 { CA:59.624 } atom: 529 72W-H N 7.731 ambi=1 { N:121.281 } ::sumAvg: 4.18 atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } ::sumAvg: 4.045 atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } ::sumAvg: 4.045 atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } :: atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } ::sumAvg: 4.15 atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } :: atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } ::sumAvg: 4.15 atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } atom: 513 70G-H N 8.181 ambi=1 { N:108.539 } ::sumAvg: 4.65 atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } atom: 518 71R-H N 7.804 ambi=1 { N:120.908 } ::sumAvg: 4.855 atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } atom: 522 71R-HD2 D 3.267 ambi=2 { CD:43.534 } :: atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } atom: 523 71R-HD3 D 3.154 ambi=2 { CD:43.534 } ::sumAvg: 4.89 atom: 522 71R-HD2 D 3.267 ambi=2 { CD:43.534 } atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } :: atom: 523 71R-HD3 D 3.154 ambi=2 { CD:43.534 } atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } ::sumAvg: 4.89 atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } atom: 529 72W-H N 7.731 ambi=1 { N:121.281 } ::sumAvg: 4.865 atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } ::sumAvg: 4.725 atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } atom: 498 68E-QB B 2.118 ambi=2 { CB:29.994 } ::sumAvg: 4.725 atom: 500 68E-QG G 2.112 ambi=2 { CG:36.033 } atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } ::sumAvg: 4.855 atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } atom: 500 68E-QG G 2.112 ambi=2 { CG:36.033 } ::sumAvg: 4.855 atom: 500 68E-QG G 2.112 ambi=2 { CG:36.033 } atom: 522 71R-HD2 D 3.267 ambi=2 { CD:43.534 } :: atom: 500 68E-QG G 2.112 ambi=2 { CG:36.033 } atom: 523 71R-HD3 D 3.154 ambi=2 { CD:43.534 } ::sumAvg: 4.42 atom: 522 71R-HD2 D 3.267 ambi=2 { CD:43.534 } atom: 500 68E-QG G 2.112 ambi=2 { CG:36.033 } :: atom: 523 71R-HD3 D 3.154 ambi=2 { CD:43.534 } atom: 500 68E-QG G 2.112 ambi=2 { CG:36.033 } ::sumAvg: 4.42 atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } atom: 506 69F-H N 8.636 ambi=1 { N:120.807 } ::sumAvg: 4.54 atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } atom: 506 69F-H N 8.636 ambi=1 { N:120.807 } ::sumAvg: 4.88 atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } ::sumAvg: 4.63 atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } atom: 513 70G-H N 8.181 ambi=1 { N:108.539 } ::sumAvg: 3.55 atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } ::sumAvg: 4.495 atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } atom: 518 71R-H N 7.804 ambi=1 { N:120.908 } ::sumAvg: 4.41 atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } atom: 529 72W-H N 7.731 ambi=1 { N:121.281 } ::sumAvg: 3.505 atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } atom: 536 73Y-H N 9.004 ambi=1 { N:121.394 } ::sumAvg: 3.955 atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } :: atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } ::sumAvg: 4.795 atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } :: atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } atom: 507 69F-HA A 3.803 ambi=1 { CA:62.859 } ::sumAvg: 4.795 atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } :: atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } ::sumAvg: 4.365 atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } :: atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } ::sumAvg: 4 atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } :: atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } atom: 7509 69F-HB3 B 3.284 ambi=2 { CB:38.44 } ::sumAvg: 4 atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } ::sumAvg: 4.78 atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } atom: 508 69F-HB2 B 2.785 ambi=2 { CB:38.44 } ::sumAvg: 4.78 atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } ::sumAvg: 3.845 atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } :: atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } atom: 509 69F-QD D 6.795 ambi=3 { CD1:131.2 } ::sumAvg: 3.93 atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } ::sumAvg: 4.575 atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } atom: 7506 69F-QE E 7.088 ambi=3 { CE1:131.4 } ::sumAvg: 4.975 atom: 520 71R-HB2 B 1.807 ambi=2 { CB:30.301 } atom: 513 70G-H N 8.181 ambi=1 { N:108.539 } :: atom: 521 71R-HB3 B 1.842 ambi=2 { CB:30.301 } atom: 513 70G-H N 8.181 ambi=1 { N:108.539 } ::sumAvg: 4.86 atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } atom: 513 70G-H N 8.181 ambi=1 { N:108.539 } ::sumAvg: 4.86 atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } atom: 519 71R-HA A 3.84 ambi=1 { CA:60.134 } ::sumAvg: 4.085 atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } atom: 529 72W-H N 7.731 ambi=1 { N:121.281 } ::sumAvg: 4.14 atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } ::sumAvg: 4.675 atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } ::sumAvg: 4.04 atom: 514 70G-QA A 1.798 ambi=2 { CA:45.189 } atom: 543 74K-H N 7.718 ambi=1 { N:116.614 } ::sumAvg: 3.7 atom: 522 71R-HD2 D 3.267 ambi=2 { CD:43.534 } atom: 518 71R-H N 7.804 ambi=1 { N:120.908 } :: atom: 523 71R-HD3 D 3.154 ambi=2 { CD:43.534 } atom: 518 71R-H N 7.804 ambi=1 { N:120.908 } ::sumAvg: 4.5 atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } atom: 518 71R-H N 7.804 ambi=1 { N:120.908 } ::sumAvg: 4.45 atom: 519 71R-HA A 3.84 ambi=1 { CA:60.134 } atom: 522 71R-HD2 D 3.267 ambi=2 { CD:43.534 } :: atom: 519 71R-HA A 3.84 ambi=1 { CA:60.134 } atom: 523 71R-HD3 D 3.154 ambi=2 { CD:43.534 } ::sumAvg: 4.285 atom: 519 71R-HA A 3.84 ambi=1 { CA:60.134 } atom: 529 72W-H N 7.731 ambi=1 { N:121.281 } ::sumAvg: 3.55 atom: 519 71R-HA A 3.84 ambi=1 { CA:60.134 } atom: 536 73Y-H N 9.004 ambi=1 { N:121.394 } ::sumAvg: 4.545 atom: 519 71R-HA A 3.84 ambi=1 { CA:60.134 } atom: 543 74K-H N 7.718 ambi=1 { N:116.614 } ::sumAvg: 3.675 atom: 519 71R-HA A 3.84 ambi=1 { CA:60.134 } atom: 1541 74K-QE E 2.973 ambi=2 { CE:42.39 } ::sumAvg: 4.26 atom: 1541 74K-QE E 2.973 ambi=2 { CE:42.39 } atom: 519 71R-HA A 3.84 ambi=1 { CA:60.134 } ::sumAvg: 4.26 atom: 1543 74K-HG3 G 1.487 ambi=2 { CG:24.98 } atom: 519 71R-HA A 3.84 ambi=1 { CA:60.134 } :: atom: 1544 74K-HG2 G 1.33 ambi=2 { CG:24.98 } atom: 519 71R-HA A 3.84 ambi=1 { CA:60.134 } ::sumAvg: 4.355 atom: 519 71R-HA A 3.84 ambi=1 { CA:60.134 } atom: 1545 74K-QD D 1.672 ambi=2 { CD:29.87 } ::sumAvg: 3.685 atom: 1545 74K-QD D 1.672 ambi=2 { CD:29.87 } atom: 519 71R-HA A 3.84 ambi=1 { CA:60.134 } ::sumAvg: 3.685 atom: 519 71R-HA A 3.84 ambi=1 { CA:60.134 } atom: 550 75H-H N 6.996 ambi=1 { N:116.154 } ::sumAvg: 4.615 atom: 520 71R-HB2 B 1.807 ambi=2 { CB:30.301 } atom: 529 72W-H N 7.731 ambi=1 { N:121.281 } :: atom: 521 71R-HB3 B 1.842 ambi=2 { CB:30.301 } atom: 529 72W-H N 7.731 ambi=1 { N:121.281 } ::sumAvg: 2.615 atom: 520 71R-HB2 B 1.807 ambi=2 { CB:30.301 } atom: 530 72W-HA A 4.047 ambi=1 { CA:61.51 } :: atom: 521 71R-HB3 B 1.842 ambi=2 { CB:30.301 } atom: 530 72W-HA A 4.047 ambi=1 { CA:61.51 } ::sumAvg: 4.42 atom: 2520 71R-HG2 G 1.783 ambi=2 { CG:28.14 } atom: 529 72W-H N 7.731 ambi=1 { N:121.281 } :: atom: 2521 71R-HG3 G 1.525 ambi=2 { CG:28.14 } atom: 529 72W-H N 7.731 ambi=1 { N:121.281 } ::sumAvg: 4.08 atom: 530 72W-HA A 4.047 ambi=1 { CA:61.51 } atom: 9941 72W-HE3 E3 6.56 ambi=1 { CE3:119.5 } ::sumAvg: 4.69 atom: 530 72W-HA A 4.047 ambi=1 { CA:61.51 } atom: 537 73Y-HA A 2.84 ambi=1 { CA:61.352 } ::sumAvg: 4.8 atom: 537 73Y-HA A 2.84 ambi=1 { CA:61.352 } atom: 530 72W-HA A 4.047 ambi=1 { CA:61.51 } ::sumAvg: 4.8 atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } atom: 530 72W-HA A 4.047 ambi=1 { CA:61.51 } :: atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } atom: 530 72W-HA A 4.047 ambi=1 { CA:61.51 } ::sumAvg: 4.865 atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } atom: 9930 72W-HE1 E1 10.26 ambi=1 { NE1:132.19 } ::sumAvg: 4.45 atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } :: atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } ::sumAvg: 4.065 atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } :: atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } ::sumAvg: 4.065 atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } :: atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } atom: 531 72W-QB B 3.193 ambi=2 { CB:27.716 } ::sumAvg: 4.88 atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } atom: 9930 72W-HE1 E1 10.26 ambi=1 { NE1:132.19 } :: atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } atom: 9930 72W-HE1 E1 10.26 ambi=1 { NE1:132.19 } ::sumAvg: 4.15 atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } atom: 9932 72W-HD1 D1 7.281 ambi=1 { CD1:127.48 } :: atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } atom: 9932 72W-HD1 D1 7.281 ambi=1 { CD1:127.48 } ::sumAvg: 4.87 atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } atom: 9934 72W-HZ2 Z2 6.345 ambi=1 { CZ2:114.3 } :: atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } atom: 9934 72W-HZ2 Z2 6.345 ambi=1 { CZ2:114.3 } ::sumAvg: 4.005 atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } atom: 9937 72W-HH2 H2 6.247 ambi=1 { CH2:123.1 } :: atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } atom: 9937 72W-HH2 H2 6.247 ambi=1 { CH2:123.1 } ::sumAvg: 4.245 atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } :: atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } atom: 9939 72W-HZ3 Z3 6.551 ambi=1 { CZ3:120.9 } ::sumAvg: 4.12 atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } atom: 9941 72W-HE3 E3 6.56 ambi=1 { CE3:119.5 } :: atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } atom: 9941 72W-HE3 E3 6.56 ambi=1 { CE3:119.5 } ::sumAvg: 4.125 atom: 545 74K-HB2 B 1.739 ambi=2 { CB:32.132 } atom: 536 73Y-H N 9.004 ambi=1 { N:121.394 } :: atom: 546 74K-HB3 B 1.849 ambi=2 { CB:32.132 } atom: 536 73Y-H N 9.004 ambi=1 { N:121.394 } ::sumAvg: 4.895 atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } atom: 536 73Y-H N 9.004 ambi=1 { N:121.394 } :: atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } atom: 536 73Y-H N 9.004 ambi=1 { N:121.394 } ::sumAvg: 4.655 atom: 537 73Y-HA A 2.84 ambi=1 { CA:61.352 } atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } ::sumAvg: 4.61 atom: 537 73Y-HA A 2.84 ambi=1 { CA:61.352 } atom: 544 74K-HA A 3.733 ambi=1 { CA:59.12 } ::sumAvg: 4.86 atom: 544 74K-HA A 3.733 ambi=1 { CA:59.12 } atom: 537 73Y-HA A 2.84 ambi=1 { CA:61.352 } ::sumAvg: 4.86 atom: 537 73Y-HA A 2.84 ambi=1 { CA:61.352 } atom: 564 77K-H N 7.894 ambi=1 { N:118.8 } ::sumAvg: 3.545 atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } :: atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } ::sumAvg: 4.425 atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } atom: 544 74K-HA A 3.733 ambi=1 { CA:59.12 } :: atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } atom: 544 74K-HA A 3.733 ambi=1 { CA:59.12 } ::sumAvg: 4.225 atom: 544 74K-HA A 3.733 ambi=1 { CA:59.12 } atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } :: atom: 544 74K-HA A 3.733 ambi=1 { CA:59.12 } atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } ::sumAvg: 4.225 atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } atom: 1543 74K-HG3 G 1.487 ambi=2 { CG:24.98 } :: atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } atom: 1544 74K-HG2 G 1.33 ambi=2 { CG:24.98 } :: atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } atom: 1543 74K-HG3 G 1.487 ambi=2 { CG:24.98 } :: atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } atom: 1544 74K-HG2 G 1.33 ambi=2 { CG:24.98 } ::sumAvg: 4.94 atom: 1543 74K-HG3 G 1.487 ambi=2 { CG:24.98 } atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } :: atom: 1544 74K-HG2 G 1.33 ambi=2 { CG:24.98 } atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } :: atom: 1543 74K-HG3 G 1.487 ambi=2 { CG:24.98 } atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } :: atom: 1544 74K-HG2 G 1.33 ambi=2 { CG:24.98 } atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } ::sumAvg: 4.94 atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } :: atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } atom: 538 73Y-HB2 B 2.524 ambi=2 { CB:38.782 } :: atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } :: atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } atom: 539 73Y-HB3 B 2.347 ambi=2 { CB:38.782 } ::sumAvg: 4.62 atom: 566 77K-HB2 B 1.276 ambi=2 { CB:31.323 } atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } :: atom: 567 77K-HB3 B 1.423 ambi=2 { CB:31.323 } atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } ::sumAvg: 4.37 atom: 3566 77K-QD D 1.396 ambi=2 { CD:28.08 } atom: 7600 73Y-QD D 7.045 ambi=3 { CD1:132.8 } ::sumAvg: 4.375 atom: 566 77K-HB2 B 1.276 ambi=2 { CB:31.323 } atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } :: atom: 567 77K-HB3 B 1.423 ambi=2 { CB:31.323 } atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } ::sumAvg: 4.215 atom: 3566 77K-QD D 1.396 ambi=2 { CD:28.08 } atom: 7602 73Y-QE E 6.97 ambi=3 { CE1:119.4 } ::sumAvg: 3.895 atom: 1545 74K-QD D 1.672 ambi=2 { CD:29.87 } atom: 543 74K-H N 7.718 ambi=1 { N:116.614 } ::sumAvg: 4.19 atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } atom: 543 74K-H N 7.718 ambi=1 { N:116.614 } :: atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } atom: 543 74K-H N 7.718 ambi=1 { N:116.614 } ::sumAvg: 4.945 atom: 544 74K-HA A 3.733 ambi=1 { CA:59.12 } atom: 1541 74K-QE E 2.973 ambi=2 { CE:42.39 } ::sumAvg: 4.685 atom: 1541 74K-QE E 2.973 ambi=2 { CE:42.39 } atom: 544 74K-HA A 3.733 ambi=1 { CA:59.12 } ::sumAvg: 4.685 atom: 544 74K-HA A 3.733 ambi=1 { CA:59.12 } atom: 551 75H-HA A 4.226 ambi=1 { CA:58.42 } ::sumAvg: 4.69 atom: 551 75H-HA A 4.226 ambi=1 { CA:58.42 } atom: 544 74K-HA A 3.733 ambi=1 { CA:59.12 } ::sumAvg: 4.69 atom: 544 74K-HA A 3.733 ambi=1 { CA:59.12 } atom: 557 76F-H N 8.145 ambi=1 { N:123.096 } ::sumAvg: 4.515 atom: 544 74K-HA A 3.733 ambi=1 { CA:59.12 } atom: 564 77K-H N 7.894 ambi=1 { N:118.8 } ::sumAvg: 4.045 atom: 566 77K-HB2 B 1.276 ambi=2 { CB:31.323 } atom: 544 74K-HA A 3.733 ambi=1 { CA:59.12 } :: atom: 567 77K-HB3 B 1.423 ambi=2 { CB:31.323 } atom: 544 74K-HA A 3.733 ambi=1 { CA:59.12 } ::sumAvg: 3.97 atom: 544 74K-HA A 3.733 ambi=1 { CA:59.12 } atom: 3562 77K-QG G 0.91 ambi=2 { CG:23.83 } ::sumAvg: 4.375 atom: 3562 77K-QG G 0.91 ambi=2 { CG:23.83 } atom: 544 74K-HA A 3.733 ambi=1 { CA:59.12 } ::sumAvg: 4.375 atom: 544 74K-HA A 3.733 ambi=1 { CA:59.12 } atom: 574 78K-H N 7.362 ambi=1 { N:119.919 } ::sumAvg: 4.52 atom: 1541 74K-QE E 2.973 ambi=2 { CE:42.39 } atom: 545 74K-HB2 B 1.739 ambi=2 { CB:32.132 } :: atom: 1541 74K-QE E 2.973 ambi=2 { CE:42.39 } atom: 546 74K-HB3 B 1.849 ambi=2 { CB:32.132 } ::sumAvg: 2.99 atom: 1543 74K-HG3 G 1.487 ambi=2 { CG:24.98 } atom: 551 75H-HA A 4.226 ambi=1 { CA:58.42 } :: atom: 1544 74K-HG2 G 1.33 ambi=2 { CG:24.98 } atom: 551 75H-HA A 4.226 ambi=1 { CA:58.42 } ::sumAvg: 4.965 atom: 1545 74K-QD D 1.672 ambi=2 { CD:29.87 } atom: 550 75H-H N 6.996 ambi=1 { N:116.154 } ::sumAvg: 4.43 atom: 1545 74K-QD D 1.672 ambi=2 { CD:29.87 } atom: 551 75H-HA A 4.226 ambi=1 { CA:58.42 } ::sumAvg: 4.685 atom: 551 75H-HA A 4.226 ambi=1 { CA:58.42 } atom: 558 76F-HA A 3.735 ambi=1 { CA:60.07 } ::sumAvg: 4.83 atom: 558 76F-HA A 3.735 ambi=1 { CA:60.07 } atom: 551 75H-HA A 4.226 ambi=1 { CA:58.42 } ::sumAvg: 4.83 atom: 551 75H-HA A 4.226 ambi=1 { CA:58.42 } atom: 564 77K-H N 7.894 ambi=1 { N:118.8 } ::sumAvg: 4.555 atom: 578 78K-HG2 G 1.32 ambi=2 { CG:24.705 } atom: 551 75H-HA A 4.226 ambi=1 { CA:58.42 } :: atom: 579 78K-HG3 G 1.267 ambi=2 { CG:24.705 } atom: 551 75H-HA A 4.226 ambi=1 { CA:58.42 } ::sumAvg: 3.61 atom: 551 75H-HA A 4.226 ambi=1 { CA:58.42 } atom: 580 78K-QD D 1.5585 ambi=2 { CD:29.108 } ::sumAvg: 4.39 atom: 580 78K-QD D 1.5585 ambi=2 { CD:29.108 } atom: 551 75H-HA A 4.226 ambi=1 { CA:58.42 } ::sumAvg: 4.39 atom: 551 75H-HA A 4.226 ambi=1 { CA:58.42 } atom: 2580 78K-QE E 2.872 ambi=2 { CE:42.045 } ::sumAvg: 4.45 atom: 2580 78K-QE E 2.872 ambi=2 { CE:42.045 } atom: 551 75H-HA A 4.226 ambi=1 { CA:58.42 } ::sumAvg: 4.45 atom: 552 75H-HB2 B 3.003 ambi=2 { CB:29.731 } atom: 558 76F-HA A 3.735 ambi=1 { CA:60.07 } :: atom: 553 75H-HB3 B 3.082 ambi=2 { CB:29.731 } atom: 558 76F-HA A 3.735 ambi=1 { CA:60.07 } ::sumAvg: 4.575 atom: 558 76F-HA A 3.735 ambi=1 { CA:60.07 } atom: 552 75H-HB2 B 3.003 ambi=2 { CB:29.731 } :: atom: 558 76F-HA A 3.735 ambi=1 { CA:60.07 } atom: 553 75H-HB3 B 3.082 ambi=2 { CB:29.731 } ::sumAvg: 4.575 atom: 552 75H-HB2 B 3.003 ambi=2 { CB:29.731 } atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } :: atom: 552 75H-HB2 B 3.003 ambi=2 { CB:29.731 } atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } :: atom: 553 75H-HB3 B 3.082 ambi=2 { CB:29.731 } atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } :: atom: 553 75H-HB3 B 3.082 ambi=2 { CB:29.731 } atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } ::sumAvg: 4.84 atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } atom: 552 75H-HB2 B 3.003 ambi=2 { CB:29.731 } :: atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } atom: 552 75H-HB2 B 3.003 ambi=2 { CB:29.731 } :: atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } atom: 553 75H-HB3 B 3.082 ambi=2 { CB:29.731 } :: atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } atom: 553 75H-HB3 B 3.082 ambi=2 { CB:29.731 } ::sumAvg: 4.84 atom: 566 77K-HB2 B 1.276 ambi=2 { CB:31.323 } atom: 557 76F-H N 8.145 ambi=1 { N:123.096 } :: atom: 567 77K-HB3 B 1.423 ambi=2 { CB:31.323 } atom: 557 76F-H N 8.145 ambi=1 { N:123.096 } ::sumAvg: 4.975 atom: 558 76F-HA A 3.735 ambi=1 { CA:60.07 } atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } ::sumAvg: 4.635 atom: 558 76F-HA A 3.735 ambi=1 { CA:60.07 } atom: 574 78K-H N 7.362 ambi=1 { N:119.919 } ::sumAvg: 4.59 atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } :: atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } ::sumAvg: 4.36 atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } atom: 565 77K-HA A 3.609 ambi=1 { CA:56.14 } :: atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } atom: 565 77K-HA A 3.609 ambi=1 { CA:56.14 } ::sumAvg: 4.545 atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } atom: 566 77K-HB2 B 1.276 ambi=2 { CB:31.323 } ::sumAvg: 4.435 atom: 566 77K-HB2 B 1.276 ambi=2 { CB:31.323 } atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } ::sumAvg: 4.435 atom: 3562 77K-QG G 0.91 ambi=2 { CG:23.83 } atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } :: atom: 3562 77K-QG G 0.91 ambi=2 { CG:23.83 } atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } ::sumAvg: 4.54 atom: 559 76F-HB2 B 1.812 ambi=2 { CB:38.97 } atom: 574 78K-H N 7.362 ambi=1 { N:119.919 } :: atom: 560 76F-HB3 B 1.673 ambi=2 { CB:38.97 } atom: 574 78K-H N 7.362 ambi=1 { N:119.919 } ::sumAvg: 4.83 atom: 566 77K-HB2 B 1.276 ambi=2 { CB:31.323 } atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } :: atom: 567 77K-HB3 B 1.423 ambi=2 { CB:31.323 } atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } ::sumAvg: 3.8 atom: 3566 77K-QD D 1.396 ambi=2 { CD:28.08 } atom: 7500 76F-QD D 6.75 ambi=3 { CD1:131.8 } ::sumAvg: 4.385 atom: 565 77K-HA A 3.609 ambi=1 { CA:56.14 } atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } ::sumAvg: 4.74 atom: 3562 77K-QG G 0.91 ambi=2 { CG:23.83 } atom: 7501 76F-QE E 7.25 ambi=3 { CE1:131.3 } ::sumAvg: 4.65 atom: 576 78K-QB B 1.699 ambi=2 { CB:32.172 } atom: 564 77K-H N 7.894 ambi=1 { N:118.8 } ::sumAvg: 4.72 atom: 565 77K-HA A 3.609 ambi=1 { CA:56.14 } atom: 576 78K-QB B 1.699 ambi=2 { CB:32.172 } ::sumAvg: 4.78 atom: 576 78K-QB B 1.699 ambi=2 { CB:32.172 } atom: 565 77K-HA A 3.609 ambi=1 { CA:56.14 } ::sumAvg: 4.78 atom: 566 77K-HB2 B 1.276 ambi=2 { CB:31.323 } atom: 575 78K-HA A 3.991 ambi=1 { CA:57.769 } :: atom: 567 77K-HB3 B 1.423 ambi=2 { CB:31.323 } atom: 575 78K-HA A 3.991 ambi=1 { CA:57.769 } ::sumAvg: 4.79 atom: 566 77K-HB2 B 1.276 ambi=2 { CB:31.323 } atom: 576 78K-QB B 1.699 ambi=2 { CB:32.172 } ::sumAvg: 4.985 atom: 566 77K-HB2 B 1.276 ambi=2 { CB:31.323 } atom: 588 79T-H N 7.678 ambi=1 { N:113.086 } :: atom: 567 77K-HB3 B 1.423 ambi=2 { CB:31.323 } atom: 588 79T-H N 7.678 ambi=1 { N:113.086 } ::sumAvg: 4.43 atom: 3562 77K-QG G 0.91 ambi=2 { CG:23.83 } atom: 574 78K-H N 7.362 ambi=1 { N:119.919 } ::sumAvg: 3.58 atom: 3562 77K-QG G 0.91 ambi=2 { CG:23.83 } atom: 576 78K-QB B 1.699 ambi=2 { CB:32.172 } ::sumAvg: 4.815 atom: 576 78K-QB B 1.699 ambi=2 { CB:32.172 } atom: 3562 77K-QG G 0.91 ambi=2 { CG:23.83 } ::sumAvg: 4.815 atom: 3566 77K-QD D 1.396 ambi=2 { CD:28.08 } atom: 574 78K-H N 7.362 ambi=1 { N:119.919 } ::sumAvg: 4.93 atom: 580 78K-QD D 1.5585 ambi=2 { CD:29.108 } atom: 574 78K-H N 7.362 ambi=1 { N:119.919 } ::sumAvg: 4.465 atom: 591 79T-HG2 G2 1.014 ambi=2 { CG2:21.581 } atom: 574 78K-H N 7.362 ambi=1 { N:119.919 } ::sumAvg: 4.855 atom: 575 78K-HA A 3.991 ambi=1 { CA:57.769 } atom: 2580 78K-QE E 2.872 ambi=2 { CE:42.045 } ::sumAvg: 4.625 atom: 2580 78K-QE E 2.872 ambi=2 { CE:42.045 } atom: 575 78K-HA A 3.991 ambi=1 { CA:57.769 } ::sumAvg: 4.625 atom: 575 78K-HA A 3.991 ambi=1 { CA:57.769 } atom: 591 79T-HG2 G2 1.014 ambi=2 { CG2:21.581 } ::sumAvg: 4.935 atom: 591 79T-HG2 G2 1.014 ambi=2 { CG2:21.581 } atom: 575 78K-HA A 3.991 ambi=1 { CA:57.769 } ::sumAvg: 4.935 atom: 589 79T-HA A 4.049 ambi=1 { CA:63.019 } atom: 576 78K-QB B 1.699 ambi=2 { CB:32.172 } ::sumAvg: 4.205 atom: 576 78K-QB B 1.699 ambi=2 { CB:32.172 } atom: 591 79T-HG2 G2 1.014 ambi=2 { CG2:21.581 } ::sumAvg: 4.245 atom: 591 79T-HG2 G2 1.014 ambi=2 { CG2:21.581 } atom: 576 78K-QB B 1.699 ambi=2 { CB:32.172 } ::sumAvg: 4.245 atom: 576 78K-QB B 1.699 ambi=2 { CB:32.172 } atom: 596 80K-H N 7.88 ambi=1 { N:122.246 } ::sumAvg: 4.56 atom: 578 78K-HG2 G 1.32 ambi=2 { CG:24.705 } atom: 596 80K-H N 7.88 ambi=1 { N:122.246 } :: atom: 579 78K-HG3 G 1.267 ambi=2 { CG:24.705 } atom: 596 80K-H N 7.88 ambi=1 { N:122.246 } ::sumAvg: 4.815 atom: 580 78K-QD D 1.5585 ambi=2 { CD:29.108 } atom: 588 79T-H N 7.678 ambi=1 { N:113.086 } ::sumAvg: 4.785 atom: 589 79T-HA A 4.049 ambi=1 { CA:63.019 } atom: 600 80K-QG G 1.175 ambi=2 { CG:24.137 } ::sumAvg: 4.875 atom: 590 79T-HB B 4.049 ambi=1 { CB:69.576 } atom: 600 80K-QG G 1.175 ambi=2 { CG:24.137 } ::sumAvg: 4.95 atom: 597 80K-HA A 4.062 ambi=1 { CA:56.885 } atom: 591 79T-HG2 G2 1.014 ambi=2 { CG2:21.581 } ::sumAvg: 4.67 atom: 591 79T-HG2 G2 1.014 ambi=2 { CG2:21.581 } atom: 598 80K-HB2 B 1.618 ambi=2 { CB:32.419 } :: atom: 591 79T-HG2 G2 1.014 ambi=2 { CG2:21.581 } atom: 599 80K-HB3 B 1.501 ambi=2 { CB:32.419 } ::sumAvg: 4.205 atom: 598 80K-HB2 B 1.618 ambi=2 { CB:32.419 } atom: 591 79T-HG2 G2 1.014 ambi=2 { CG2:21.581 } :: atom: 599 80K-HB3 B 1.501 ambi=2 { CB:32.419 } atom: 591 79T-HG2 G2 1.014 ambi=2 { CG2:21.581 } ::sumAvg: 4.205 atom: 591 79T-HG2 G2 1.014 ambi=2 { CG2:21.581 } atom: 611 81D-H N 8.019 ambi=1 { N:119.761 } ::sumAvg: 4.56 atom: 602 80K-QD D 1.459 ambi=2 { CD:28.722 } atom: 596 80K-H N 7.88 ambi=1 { N:122.246 } ::sumAvg: 4.02 atom: 597 80K-HA A 4.062 ambi=1 { CA:56.885 } atom: 604 80K-QE E 2.8075 ambi=2 { CE:42.023 } ::sumAvg: 4.705 atom: 604 80K-QE E 2.8075 ambi=2 { CE:42.023 } atom: 597 80K-HA A 4.062 ambi=1 { CA:56.885 } ::sumAvg: 4.705 atom: 597 80K-HA A 4.062 ambi=1 { CA:56.885 } atom: 612 81D-HA A 4.483 ambi=1 { CA:54.916 } ::sumAvg: 4.565 atom: 598 80K-HB2 B 1.618 ambi=2 { CB:32.419 } atom: 604 80K-QE E 2.8075 ambi=2 { CE:42.023 } :: atom: 599 80K-HB3 B 1.501 ambi=2 { CB:32.419 } atom: 604 80K-QE E 2.8075 ambi=2 { CE:42.023 } ::sumAvg: 3.94 atom: 600 80K-QG G 1.175 ambi=2 { CG:24.137 } atom: 611 81D-H N 8.019 ambi=1 { N:119.761 } ::sumAvg: 3.645 atom: 600 80K-QG G 1.175 ambi=2 { CG:24.137 } atom: 613 81D-HB2 B 2.535 ambi=2 { CB:40.86 } :: atom: 600 80K-QG G 1.175 ambi=2 { CG:24.137 } atom: 614 81D-HB3 B 2.645 ambi=2 { CB:40.86 } ::sumAvg: 4.855 atom: 613 81D-HB2 B 2.535 ambi=2 { CB:40.86 } atom: 600 80K-QG G 1.175 ambi=2 { CG:24.137 } :: atom: 614 81D-HB3 B 2.645 ambi=2 { CB:40.86 } atom: 600 80K-QG G 1.175 ambi=2 { CG:24.137 } ::sumAvg: 4.855 atom: 602 80K-QD D 1.459 ambi=2 { CD:28.722 } atom: 611 81D-H N 8.019 ambi=1 { N:119.761 } ::sumAvg: 4.335 atom: 613 81D-HB2 B 2.535 ambi=2 { CB:40.86 } atom: 5619 82M-HA A 4.38 ambi=1 { CA:55.75 } :: atom: 614 81D-HB3 B 2.645 ambi=2 { CB:40.86 } atom: 5619 82M-HA A 4.38 ambi=1 { CA:55.75 } ::sumAvg: 4.52 atom: 5619 82M-HA A 4.38 ambi=1 { CA:55.75 } atom: 613 81D-HB2 B 2.535 ambi=2 { CB:40.86 } :: atom: 5619 82M-HA A 4.38 ambi=1 { CA:55.75 } atom: 614 81D-HB3 B 2.645 ambi=2 { CB:40.86 } ::sumAvg: 4.52 atom: 5621 82M-HE E 2.015 ambi=1 { CE:16.69 } atom: 618 82M-H N 7.893 ambi=1 { N:119.386 } ::sumAvg: 4.285 atom: 5615 82M-HG3 G 2.456 ambi=2 { CG:31.98 } atom: 5621 82M-HE E 2.015 ambi=1 { CE:16.69 } :: atom: 5616 82M-HG2 G 2.53 ambi=2 { CG:31.98 } atom: 5621 82M-HE E 2.015 ambi=1 { CE:16.69 } ::sumAvg: 2.44 atom: 5615 82M-HG3 G 2.456 ambi=2 { CG:31.98 } atom: 4618 83M-H N 7.788 ambi=1 { N:126 } :: atom: 5616 82M-HG2 G 2.53 ambi=2 { CG:31.98 } atom: 4618 83M-H N 7.788 ambi=1 { N:126 } ::sumAvg: 4.105 atom: 5617 82M-HB3 B 1.919 ambi=2 { CB:32.865 } atom: 5615 82M-HG3 G 2.456 ambi=2 { CG:31.98 } :: atom: 5617 82M-HB3 B 1.919 ambi=2 { CB:32.865 } atom: 5616 82M-HG2 G 2.53 ambi=2 { CG:31.98 } :: atom: 5618 82M-HB2 B 2.075 ambi=2 { CB:32.865 } atom: 5616 82M-HG2 G 2.53 ambi=2 { CG:31.98 } ::sumAvg: 2.42 atom: 5617 82M-HB3 B 1.919 ambi=2 { CB:32.865 } atom: 4618 83M-H N 7.788 ambi=1 { N:126 } :: atom: 5618 82M-HB2 B 2.075 ambi=2 { CB:32.865 } atom: 4618 83M-H N 7.788 ambi=1 { N:126 } ::sumAvg: 3.255 atom: 5617 82M-HB3 B 1.919 ambi=2 { CB:32.865 } atom: 4623 83M-HA A 4.19 ambi=1 { CA:57.46 } :: atom: 5618 82M-HB2 B 2.075 ambi=2 { CB:32.865 } atom: 4623 83M-HA A 4.19 ambi=1 { CA:57.46 } ::sumAvg: 4.82 atom: 5619 82M-HA A 4.38 ambi=1 { CA:55.75 } atom: 5621 82M-HE E 2.015 ambi=1 { CE:16.69 } ::sumAvg: 4.19 atom: 5621 82M-HE E 2.015 ambi=1 { CE:16.69 } atom: 5619 82M-HA A 4.38 ambi=1 { CA:55.75 } ::sumAvg: 4.19 atom: 5621 82M-HE E 2.015 ambi=1 { CE:16.69 } atom: 4618 83M-H N 7.788 ambi=1 { N:126 } ::sumAvg: 4.845 atom: 4622 83M-HE E 2.01 ambi=1 { CE:16.8 } atom: 4618 83M-H N 7.788 ambi=1 { N:126 } ::sumAvg: 4.305 atom: 5613 83M-HG3 G 2.432 ambi=2 { CG:32.24 } atom: 4618 83M-H N 7.788 ambi=1 { N:126 } :: atom: 5614 83M-HG2 G 2.501 ambi=2 { CG:32.24 } atom: 4618 83M-H N 7.788 ambi=1 { N:126 } ::sumAvg: 3.61 atom: 4624 83M-HB2 B 2.028 ambi=2 { CB:33.5 } atom: 5613 83M-HG3 G 2.432 ambi=2 { CG:32.24 } :: atom: 4624 83M-HB2 B 2.028 ambi=2 { CB:33.5 } atom: 5614 83M-HG2 G 2.501 ambi=2 { CG:32.24 } :: atom: 4625 83M-HB3 B 1.892 ambi=2 { CB:33.5 } atom: 5613 83M-HG3 G 2.432 ambi=2 { CG:32.24 } :: atom: 4625 83M-HB3 B 1.892 ambi=2 { CB:33.5 } atom: 5614 83M-HG2 G 2.501 ambi=2 { CG:32.24 } ::sumAvg: 2.425 atom: 5613 83M-HG3 G 2.432 ambi=2 { CG:32.24 } atom: 4622 83M-HE E 2.01 ambi=1 { CE:16.8 } :: atom: 5614 83M-HG2 G 2.501 ambi=2 { CG:32.24 } atom: 4622 83M-HE E 2.01 ambi=1 { CE:16.8 } ::sumAvg: 2.44