# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for c.peaks atom: 2 1M-HB2 B 1.956 ambi=2 { CB:34.019 } atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } :: atom: 3 1M-HB3 B 1.976 ambi=2 { CB:34.019 } atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } ::sumAvg: 3.89 atom: 2 1M-HB2 B 1.956 ambi=2 { CB:34.019 } atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } :: atom: 3 1M-HB3 B 1.976 ambi=2 { CB:34.019 } atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } ::sumAvg: 4.645 atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 2 1M-HB2 B 1.956 ambi=2 { CB:34.019 } :: atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 3 1M-HB3 B 1.976 ambi=2 { CB:34.019 } ::sumAvg: 4.645 atom: 2 1M-HB2 B 1.956 ambi=2 { CB:34.019 } atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } :: atom: 2 1M-HB2 B 1.956 ambi=2 { CB:34.019 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } :: atom: 3 1M-HB3 B 1.976 ambi=2 { CB:34.019 } atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } :: atom: 3 1M-HB3 B 1.976 ambi=2 { CB:34.019 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } ::sumAvg: 4.19 atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 2 1M-HB2 B 1.956 ambi=2 { CB:34.019 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 2 1M-HB2 B 1.956 ambi=2 { CB:34.019 } :: atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 3 1M-HB3 B 1.976 ambi=2 { CB:34.019 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 3 1M-HB3 B 1.976 ambi=2 { CB:34.019 } ::sumAvg: 4.19 atom: 2 1M-HB2 B 1.956 ambi=2 { CB:34.019 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } :: atom: 3 1M-HB3 B 1.976 ambi=2 { CB:34.019 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } ::sumAvg: 4.46 atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } atom: 12 2K-HB2 B 1.494 ambi=2 { CB:35.916 } :: atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } atom: 13 2K-HB3 B 1.329 ambi=2 { CB:35.916 } ::sumAvg: 4.75 atom: 12 2K-HB2 B 1.494 ambi=2 { CB:35.916 } atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } :: atom: 13 2K-HB3 B 1.329 ambi=2 { CB:35.916 } atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } ::sumAvg: 4.75 atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } ::sumAvg: 4.415 atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } ::sumAvg: 4.415 atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } ::sumAvg: 4.515 atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } ::sumAvg: 4.515 atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } ::sumAvg: 4.17 atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } ::sumAvg: 4.17 atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } :: atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } ::sumAvg: 3.21 atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } :: atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } ::sumAvg: 3.21 atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } :: atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } ::sumAvg: 3.555 atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } ::sumAvg: 3.555 atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } atom: 216 20S-H N 8.121 ambi=1 { N:110.268 } ::sumAvg: 3.995 atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } ::sumAvg: 3.865 atom: 12 2K-HB2 B 1.494 ambi=2 { CB:35.916 } atom: 18 2K-HE2 E 2.909 ambi=2 { CE:42.086 } :: atom: 13 2K-HB3 B 1.329 ambi=2 { CB:35.916 } atom: 18 2K-HE2 E 2.909 ambi=2 { CE:42.086 } ::sumAvg: 3.28 atom: 12 2K-HB2 B 1.494 ambi=2 { CB:35.916 } atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } :: atom: 13 2K-HB3 B 1.329 ambi=2 { CB:35.916 } atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } ::sumAvg: 3.085 atom: 12 2K-HB2 B 1.494 ambi=2 { CB:35.916 } atom: 29 3I-HG12 G1 0.781 ambi=2 { CG1:27.255 } :: atom: 12 2K-HB2 B 1.494 ambi=2 { CB:35.916 } atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } :: atom: 13 2K-HB3 B 1.329 ambi=2 { CB:35.916 } atom: 29 3I-HG12 G1 0.781 ambi=2 { CG1:27.255 } :: atom: 13 2K-HB3 B 1.329 ambi=2 { CB:35.916 } atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } ::sumAvg: 4.575 atom: 12 2K-HB2 B 1.494 ambi=2 { CB:35.916 } atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } :: atom: 13 2K-HB3 B 1.329 ambi=2 { CB:35.916 } atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } ::sumAvg: 3.49 atom: 12 2K-HB2 B 1.494 ambi=2 { CB:35.916 } atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } :: atom: 12 2K-HB2 B 1.494 ambi=2 { CB:35.916 } atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } :: atom: 13 2K-HB3 B 1.329 ambi=2 { CB:35.916 } atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } :: atom: 13 2K-HB3 B 1.329 ambi=2 { CB:35.916 } atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } ::sumAvg: 3.615 atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } atom: 12 2K-HB2 B 1.494 ambi=2 { CB:35.916 } :: atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } atom: 12 2K-HB2 B 1.494 ambi=2 { CB:35.916 } :: atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } atom: 13 2K-HB3 B 1.329 ambi=2 { CB:35.916 } :: atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } atom: 13 2K-HB3 B 1.329 ambi=2 { CB:35.916 } ::sumAvg: 3.615 atom: 12 2K-HB2 B 1.494 ambi=2 { CB:35.916 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } :: atom: 13 2K-HB3 B 1.329 ambi=2 { CB:35.916 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } ::sumAvg: 4.965 atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } atom: 12 2K-HB2 B 1.494 ambi=2 { CB:35.916 } :: atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } atom: 13 2K-HB3 B 1.329 ambi=2 { CB:35.916 } ::sumAvg: 4.965 atom: 14 2K-HG2 G 1.384 ambi=2 { CG:24.011 } atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } :: atom: 15 2K-HG3 G 1.223 ambi=2 { CG:24.011 } atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } ::sumAvg: 3.175 atom: 14 2K-HG2 G 1.384 ambi=2 { CG:24.011 } atom: 29 3I-HG12 G1 0.781 ambi=2 { CG1:27.255 } :: atom: 14 2K-HG2 G 1.384 ambi=2 { CG:24.011 } atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } :: atom: 15 2K-HG3 G 1.223 ambi=2 { CG:24.011 } atom: 29 3I-HG12 G1 0.781 ambi=2 { CG1:27.255 } :: atom: 15 2K-HG3 G 1.223 ambi=2 { CG:24.011 } atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } ::sumAvg: 4.845 atom: 29 3I-HG12 G1 0.781 ambi=2 { CG1:27.255 } atom: 14 2K-HG2 G 1.384 ambi=2 { CG:24.011 } :: atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } atom: 14 2K-HG2 G 1.384 ambi=2 { CG:24.011 } :: atom: 29 3I-HG12 G1 0.781 ambi=2 { CG1:27.255 } atom: 15 2K-HG3 G 1.223 ambi=2 { CG:24.011 } :: atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } atom: 15 2K-HG3 G 1.223 ambi=2 { CG:24.011 } ::sumAvg: 4.845 atom: 14 2K-HG2 G 1.384 ambi=2 { CG:24.011 } atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } :: atom: 15 2K-HG3 G 1.223 ambi=2 { CG:24.011 } atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } ::sumAvg: 3.51 atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } atom: 14 2K-HG2 G 1.384 ambi=2 { CG:24.011 } :: atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } atom: 15 2K-HG3 G 1.223 ambi=2 { CG:24.011 } ::sumAvg: 3.51 atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } atom: 14 2K-HG2 G 1.384 ambi=2 { CG:24.011 } :: atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } atom: 14 2K-HG2 G 1.384 ambi=2 { CG:24.011 } :: atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } atom: 15 2K-HG3 G 1.223 ambi=2 { CG:24.011 } :: atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } atom: 15 2K-HG3 G 1.223 ambi=2 { CG:24.011 } ::sumAvg: 3.865 atom: 4 1M-HG2 G 2.151 ambi=2 { CG:31.136 } atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } :: atom: 5 1M-HG3 G 2.036 ambi=2 { CG:31.136 } atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } ::sumAvg: 3.475 atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } atom: 4 1M-HG2 G 2.151 ambi=2 { CG:31.136 } :: atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } atom: 5 1M-HG3 G 2.036 ambi=2 { CG:31.136 } ::sumAvg: 3.475 atom: 4 1M-HG2 G 2.151 ambi=2 { CG:31.136 } atom: 216 20S-H N 8.121 ambi=1 { N:110.268 } :: atom: 5 1M-HG3 G 2.036 ambi=2 { CG:31.136 } atom: 216 20S-H N 8.121 ambi=1 { N:110.268 } ::sumAvg: 4.8 atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } atom: 4 1M-HG2 G 2.151 ambi=2 { CG:31.136 } :: atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } atom: 4 1M-HG2 G 2.151 ambi=2 { CG:31.136 } :: atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } atom: 5 1M-HG3 G 2.036 ambi=2 { CG:31.136 } :: atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } atom: 5 1M-HG3 G 2.036 ambi=2 { CG:31.136 } ::sumAvg: 4.72 atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } atom: 4 1M-HG2 G 2.151 ambi=2 { CG:31.136 } ::sumAvg: 3.555 atom: 12 2K-HB2 B 1.494 ambi=2 { CB:35.916 } atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } :: atom: 13 2K-HB3 B 1.329 ambi=2 { CB:35.916 } atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } ::sumAvg: 3.12 atom: 14 2K-HG2 G 1.384 ambi=2 { CG:24.011 } atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } :: atom: 15 2K-HG3 G 1.223 ambi=2 { CG:24.011 } atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } ::sumAvg: 3.44 atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } ::sumAvg: 2.905 atom: 27 3I-HA A 3.659 ambi=1 { CA:62.565 } atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } ::sumAvg: 4.765 atom: 43 4I-HG12 G1 1.164 ambi=2 { CG1:26.368 } atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } :: atom: 44 4I-HG13 G1 1.025 ambi=2 { CG1:26.368 } atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } ::sumAvg: 4.465 atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } ::sumAvg: 2.935 atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } ::sumAvg: 3.3 atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } :: atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } ::sumAvg: 4.235 atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } ::sumAvg: 3.66 atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } :: atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } ::sumAvg: 4.165 atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 12 2K-HB2 B 1.494 ambi=2 { CB:35.916 } :: atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 13 2K-HB3 B 1.329 ambi=2 { CB:35.916 } ::sumAvg: 2.49 atom: 12 2K-HB2 B 1.494 ambi=2 { CB:35.916 } atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } :: atom: 13 2K-HB3 B 1.329 ambi=2 { CB:35.916 } atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } ::sumAvg: 2.49 atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 14 2K-HG2 G 1.384 ambi=2 { CG:24.011 } :: atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 15 2K-HG3 G 1.223 ambi=2 { CG:24.011 } ::sumAvg: 2.985 atom: 14 2K-HG2 G 1.384 ambi=2 { CG:24.011 } atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } :: atom: 15 2K-HG3 G 1.223 ambi=2 { CG:24.011 } atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } ::sumAvg: 2.985 atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 27 3I-HA A 3.659 ambi=1 { CA:62.565 } ::sumAvg: 4.495 atom: 27 3I-HA A 3.659 ambi=1 { CA:62.565 } atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } ::sumAvg: 4.495 atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 28 3I-HB B 1.486 ambi=1 { CB:38.792 } ::sumAvg: 4.805 atom: 28 3I-HB B 1.486 ambi=1 { CB:38.792 } atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } ::sumAvg: 4.805 atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 16 2K-HD2 D 1.604 ambi=2 { CD:29.373 } :: atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 17 2K-HD3 D 1.651 ambi=2 { CD:29.373 } ::sumAvg: 3.5 atom: 16 2K-HD2 D 1.604 ambi=2 { CD:29.373 } atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } :: atom: 17 2K-HD3 D 1.651 ambi=2 { CD:29.373 } atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } ::sumAvg: 3.5 atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } ::sumAvg: 2.565 atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 29 3I-HG12 G1 0.781 ambi=2 { CG1:27.255 } :: atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } ::sumAvg: 3.59 atom: 29 3I-HG12 G1 0.781 ambi=2 { CG1:27.255 } atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } :: atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } ::sumAvg: 3.59 atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 32 3I-HD1 D1 0.775 ambi=1 { CD1:14.332 } ::sumAvg: 4.69 atom: 32 3I-HD1 D1 0.775 ambi=1 { CD1:14.332 } atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } ::sumAvg: 4.69 atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } ::sumAvg: 4.44 atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } ::sumAvg: 4.44 atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } :: atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } ::sumAvg: 4.04 atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } ::sumAvg: 4.04 atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } :: atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } ::sumAvg: 2.72 atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } :: atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } ::sumAvg: 2.72 atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } ::sumAvg: 3.435 atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } ::sumAvg: 3.435 atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } ::sumAvg: 4.885 atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } atom: 11 2K-HA A 4.62 ambi=1 { CA:54.206 } ::sumAvg: 4.885 atom: 27 3I-HA A 3.659 ambi=1 { CA:62.565 } atom: 41 4I-HA A 4.135 ambi=1 { CA:60.586 } ::sumAvg: 4.42 atom: 41 4I-HA A 4.135 ambi=1 { CA:60.586 } atom: 27 3I-HA A 3.659 ambi=1 { CA:62.565 } ::sumAvg: 4.42 atom: 42 4I-HB B 1.613 ambi=1 { CB:37.466 } atom: 27 3I-HA A 3.659 ambi=1 { CA:62.565 } ::sumAvg: 4.675 atom: 27 3I-HA A 3.659 ambi=1 { CA:62.565 } atom: 43 4I-HG12 G1 1.164 ambi=2 { CG1:26.368 } :: atom: 27 3I-HA A 3.659 ambi=1 { CA:62.565 } atom: 44 4I-HG13 G1 1.025 ambi=2 { CG1:26.368 } ::sumAvg: 4.405 atom: 43 4I-HG12 G1 1.164 ambi=2 { CG1:26.368 } atom: 27 3I-HA A 3.659 ambi=1 { CA:62.565 } :: atom: 44 4I-HG13 G1 1.025 ambi=2 { CG1:26.368 } atom: 27 3I-HA A 3.659 ambi=1 { CA:62.565 } ::sumAvg: 4.405 atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } atom: 27 3I-HA A 3.659 ambi=1 { CA:62.565 } ::sumAvg: 3.41 atom: 27 3I-HA A 3.659 ambi=1 { CA:62.565 } atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } ::sumAvg: 4.835 atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 27 3I-HA A 3.659 ambi=1 { CA:62.565 } ::sumAvg: 4.835 atom: 27 3I-HA A 3.659 ambi=1 { CA:62.565 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 2.785 atom: 27 3I-HA A 3.659 ambi=1 { CA:62.565 } atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } ::sumAvg: 4.395 atom: 27 3I-HA A 3.659 ambi=1 { CA:62.565 } atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } ::sumAvg: 4.05 atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 27 3I-HA A 3.659 ambi=1 { CA:62.565 } ::sumAvg: 4.05 atom: 28 3I-HB B 1.486 ambi=1 { CB:38.792 } atom: 41 4I-HA A 4.135 ambi=1 { CA:60.586 } ::sumAvg: 4.9 atom: 41 4I-HA A 4.135 ambi=1 { CA:60.586 } atom: 28 3I-HB B 1.486 ambi=1 { CB:38.792 } ::sumAvg: 4.9 atom: 28 3I-HB B 1.486 ambi=1 { CB:38.792 } atom: 40 4I-H N 9.159 ambi=1 { N:127.239 } ::sumAvg: 4.315 atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } atom: 28 3I-HB B 1.486 ambi=1 { CB:38.792 } ::sumAvg: 4.55 atom: 28 3I-HB B 1.486 ambi=1 { CB:38.792 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 4.585 atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } atom: 28 3I-HB B 1.486 ambi=1 { CB:38.792 } ::sumAvg: 4.585 atom: 28 3I-HB B 1.486 ambi=1 { CB:38.792 } atom: 852 79E-HG2 G 2.446 ambi=2 { CG:36.953 } :: atom: 28 3I-HB B 1.486 ambi=1 { CB:38.792 } atom: 853 79E-HG3 G 2.04 ambi=2 { CG:36.953 } ::sumAvg: 4.955 atom: 852 79E-HG2 G 2.446 ambi=2 { CG:36.953 } atom: 28 3I-HB B 1.486 ambi=1 { CB:38.792 } :: atom: 853 79E-HG3 G 2.04 ambi=2 { CG:36.953 } atom: 28 3I-HB B 1.486 ambi=1 { CB:38.792 } ::sumAvg: 4.955 atom: 28 3I-HB B 1.486 ambi=1 { CB:38.792 } atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } :: atom: 28 3I-HB B 1.486 ambi=1 { CB:38.792 } atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } ::sumAvg: 4.695 atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } atom: 28 3I-HB B 1.486 ambi=1 { CB:38.792 } :: atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } atom: 28 3I-HB B 1.486 ambi=1 { CB:38.792 } ::sumAvg: 4.695 atom: 28 3I-HB B 1.486 ambi=1 { CB:38.792 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } ::sumAvg: 4.71 atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } atom: 28 3I-HB B 1.486 ambi=1 { CB:38.792 } ::sumAvg: 4.71 atom: 16 2K-HD2 D 1.604 ambi=2 { CD:29.373 } atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } :: atom: 17 2K-HD3 D 1.651 ambi=2 { CD:29.373 } atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } ::sumAvg: 4.64 atom: 16 2K-HD2 D 1.604 ambi=2 { CD:29.373 } atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } :: atom: 17 2K-HD3 D 1.651 ambi=2 { CD:29.373 } atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } ::sumAvg: 4.925 atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } atom: 16 2K-HD2 D 1.604 ambi=2 { CD:29.373 } :: atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } atom: 16 2K-HD2 D 1.604 ambi=2 { CD:29.373 } :: atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } atom: 17 2K-HD3 D 1.651 ambi=2 { CD:29.373 } :: atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } atom: 17 2K-HD3 D 1.651 ambi=2 { CD:29.373 } ::sumAvg: 4.405 atom: 16 2K-HD2 D 1.604 ambi=2 { CD:29.373 } atom: 891 83E-QG G 2.35 ambi=2 { CG:36.147 } :: atom: 17 2K-HD3 D 1.651 ambi=2 { CD:29.373 } atom: 891 83E-QG G 2.35 ambi=2 { CG:36.147 } ::sumAvg: 4.03 atom: 891 83E-QG G 2.35 ambi=2 { CG:36.147 } atom: 16 2K-HD2 D 1.604 ambi=2 { CD:29.373 } :: atom: 891 83E-QG G 2.35 ambi=2 { CG:36.147 } atom: 17 2K-HD3 D 1.651 ambi=2 { CD:29.373 } ::sumAvg: 4.03 atom: 18 2K-HE2 E 2.909 ambi=2 { CE:42.086 } atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } ::sumAvg: 4.25 atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } ::sumAvg: 3.74 atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } ::sumAvg: 4.615 atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } ::sumAvg: 3.88 atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } :: atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } ::sumAvg: 3.915 atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } ::sumAvg: 4.305 atom: 41 4I-HA A 4.135 ambi=1 { CA:60.586 } atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } ::sumAvg: 4.63 atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } atom: 41 4I-HA A 4.135 ambi=1 { CA:60.586 } ::sumAvg: 4.63 atom: 43 4I-HG12 G1 1.164 ambi=2 { CG1:26.368 } atom: 41 4I-HA A 4.135 ambi=1 { CA:60.586 } :: atom: 44 4I-HG13 G1 1.025 ambi=2 { CG1:26.368 } atom: 41 4I-HA A 4.135 ambi=1 { CA:60.586 } ::sumAvg: 2.81 atom: 42 4I-HB B 1.613 ambi=1 { CB:37.466 } atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } ::sumAvg: 4.565 atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } atom: 42 4I-HB B 1.613 ambi=1 { CB:37.466 } ::sumAvg: 4.565 atom: 42 4I-HB B 1.613 ambi=1 { CB:37.466 } atom: 56 5S-QB B 3.784 ambi=2 { CB:65.178 } ::sumAvg: 3.97 atom: 42 4I-HB B 1.613 ambi=1 { CB:37.466 } atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } ::sumAvg: 4.79 atom: 42 4I-HB B 1.613 ambi=1 { CB:37.466 } atom: 202 19L-H N 9.64 ambi=1 { N:128.781 } ::sumAvg: 4.985 atom: 42 4I-HB B 1.613 ambi=1 { CB:37.466 } atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } ::sumAvg: 4.46 atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 42 4I-HB B 1.613 ambi=1 { CB:37.466 } ::sumAvg: 4.46 atom: 217 20S-HA A 4.033 ambi=1 { CA:59.557 } atom: 42 4I-HB B 1.613 ambi=1 { CB:37.466 } ::sumAvg: 4.65 atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } atom: 31 3I-HG2 G2 0.595 ambi=1 { CG2:17.2 } ::sumAvg: 2.295 atom: 29 3I-HG12 G1 0.781 ambi=2 { CG1:27.255 } atom: 40 4I-H N 9.159 ambi=1 { N:127.239 } :: atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } atom: 40 4I-H N 9.159 ambi=1 { N:127.239 } ::sumAvg: 4.515 atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } atom: 68 6I-HD1 D1 0.829 ambi=1 { CD1:13.73 } ::sumAvg: 4.73 atom: 68 6I-HD1 D1 0.829 ambi=1 { CD1:13.73 } atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } ::sumAvg: 4.73 atom: 29 3I-HG12 G1 0.781 ambi=2 { CG1:27.255 } atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } :: atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } ::sumAvg: 4.855 atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 29 3I-HG12 G1 0.781 ambi=2 { CG1:27.255 } :: atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } ::sumAvg: 4.855 atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 2.295 atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } ::sumAvg: 3.495 atom: 29 3I-HG12 G1 0.781 ambi=2 { CG1:27.255 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } :: atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } ::sumAvg: 4.25 atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 29 3I-HG12 G1 0.781 ambi=2 { CG1:27.255 } :: atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } ::sumAvg: 4.25 atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } :: atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } ::sumAvg: 4.31 atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } :: atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } ::sumAvg: 4.31 atom: 29 3I-HG12 G1 0.781 ambi=2 { CG1:27.255 } atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } :: atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } ::sumAvg: 4.79 atom: 29 3I-HG12 G1 0.781 ambi=2 { CG1:27.255 } atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } :: atom: 29 3I-HG12 G1 0.781 ambi=2 { CG1:27.255 } atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } :: atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } :: atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } ::sumAvg: 3.375 atom: 29 3I-HG12 G1 0.781 ambi=2 { CG1:27.255 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } :: atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } ::sumAvg: 2.965 atom: 29 3I-HG12 G1 0.781 ambi=2 { CG1:27.255 } atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } :: atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } ::sumAvg: 3.685 atom: 29 3I-HG12 G1 0.781 ambi=2 { CG1:27.255 } atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } :: atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } ::sumAvg: 4.91 atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } atom: 29 3I-HG12 G1 0.781 ambi=2 { CG1:27.255 } :: atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } atom: 30 3I-HG13 G1 0.06 ambi=2 { CG1:27.255 } ::sumAvg: 4.91 atom: 31 3I-HG2 G2 0.595 ambi=1 { CG2:17.2 } atom: 42 4I-HB B 1.613 ambi=1 { CB:37.466 } ::sumAvg: 4.82 atom: 31 3I-HG2 G2 0.595 ambi=1 { CG2:17.2 } atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } ::sumAvg: 4.32 atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } atom: 31 3I-HG2 G2 0.595 ambi=1 { CG2:17.2 } ::sumAvg: 4.32 atom: 31 3I-HG2 G2 0.595 ambi=1 { CG2:17.2 } atom: 56 5S-QB B 3.784 ambi=2 { CB:65.178 } ::sumAvg: 4.845 atom: 56 5S-QB B 3.784 ambi=2 { CB:65.178 } atom: 31 3I-HG2 G2 0.595 ambi=1 { CG2:17.2 } ::sumAvg: 4.845 atom: 31 3I-HG2 G2 0.595 ambi=1 { CG2:17.2 } atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } ::sumAvg: 4.21 atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } atom: 31 3I-HG2 G2 0.595 ambi=1 { CG2:17.2 } ::sumAvg: 4.21 atom: 31 3I-HG2 G2 0.595 ambi=1 { CG2:17.2 } atom: 65 6I-HG12 G1 1.557 ambi=2 { CG1:28.113 } ::sumAvg: 3.24 atom: 65 6I-HG12 G1 1.557 ambi=2 { CG1:28.113 } atom: 31 3I-HG2 G2 0.595 ambi=1 { CG2:17.2 } ::sumAvg: 3.24 atom: 31 3I-HG2 G2 0.595 ambi=1 { CG2:17.2 } atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } ::sumAvg: 3.71 atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 31 3I-HG2 G2 0.595 ambi=1 { CG2:17.2 } ::sumAvg: 3.71 atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } atom: 31 3I-HG2 G2 0.595 ambi=1 { CG2:17.2 } ::sumAvg: 3.47 atom: 31 3I-HG2 G2 0.595 ambi=1 { CG2:17.2 } atom: 195 18T-HB B 4.056 ambi=1 { CB:68.945 } ::sumAvg: 4.67 atom: 195 18T-HB B 4.056 ambi=1 { CB:68.945 } atom: 31 3I-HG2 G2 0.595 ambi=1 { CG2:17.2 } ::sumAvg: 4.67 atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } atom: 31 3I-HG2 G2 0.595 ambi=1 { CG2:17.2 } :: atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } atom: 31 3I-HG2 G2 0.595 ambi=1 { CG2:17.2 } ::sumAvg: 4.55 atom: 65 6I-HG12 G1 1.557 ambi=2 { CG1:28.113 } atom: 32 3I-HD1 D1 0.775 ambi=1 { CD1:14.332 } ::sumAvg: 4.895 atom: 32 3I-HD1 D1 0.775 ambi=1 { CD1:14.332 } atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } ::sumAvg: 4.44 atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } atom: 32 3I-HD1 D1 0.775 ambi=1 { CD1:14.332 } ::sumAvg: 4.44 atom: 32 3I-HD1 D1 0.775 ambi=1 { CD1:14.332 } atom: 848 79E-H N 8.853 ambi=1 { N:117.081 } ::sumAvg: 4.32 atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } atom: 32 3I-HD1 D1 0.775 ambi=1 { CD1:14.332 } :: atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } atom: 32 3I-HD1 D1 0.775 ambi=1 { CD1:14.332 } ::sumAvg: 4.075 atom: 32 3I-HD1 D1 0.775 ambi=1 { CD1:14.332 } atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } ::sumAvg: 4.84 atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } atom: 32 3I-HD1 D1 0.775 ambi=1 { CD1:14.332 } ::sumAvg: 4.84 atom: 32 3I-HD1 D1 0.775 ambi=1 { CD1:14.332 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } ::sumAvg: 2.39 atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } atom: 32 3I-HD1 D1 0.775 ambi=1 { CD1:14.332 } ::sumAvg: 4.535 atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } atom: 40 4I-H N 9.159 ambi=1 { N:127.239 } ::sumAvg: 4.755 atom: 56 5S-QB B 3.784 ambi=2 { CB:65.178 } atom: 40 4I-H N 9.159 ambi=1 { N:127.239 } ::sumAvg: 4.68 atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 40 4I-H N 9.159 ambi=1 { N:127.239 } ::sumAvg: 4.89 atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } atom: 40 4I-H N 9.159 ambi=1 { N:127.239 } ::sumAvg: 3.79 atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } atom: 40 4I-H N 9.159 ambi=1 { N:127.239 } ::sumAvg: 4.99 atom: 196 18T-HG2 G2 1.303 ambi=1 { CG2:21.426 } atom: 40 4I-H N 9.159 ambi=1 { N:127.239 } ::sumAvg: 3.98 atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 40 4I-H N 9.159 ambi=1 { N:127.239 } ::sumAvg: 3.84 atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } atom: 64 6I-HB B 1.604 ambi=1 { CB:40.612 } ::sumAvg: 4.79 atom: 64 6I-HB B 1.604 ambi=1 { CB:40.612 } atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } ::sumAvg: 4.79 atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } atom: 65 6I-HG12 G1 1.557 ambi=2 { CG1:28.113 } :: atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } atom: 66 6I-HG13 G1 0.89 ambi=2 { CG1:28.113 } ::sumAvg: 4.18 atom: 65 6I-HG12 G1 1.557 ambi=2 { CG1:28.113 } atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } :: atom: 66 6I-HG13 G1 0.89 ambi=2 { CG1:28.113 } atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } ::sumAvg: 4.18 atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } atom: 68 6I-HD1 D1 0.829 ambi=1 { CD1:13.73 } ::sumAvg: 4.01 atom: 68 6I-HD1 D1 0.829 ambi=1 { CD1:13.73 } atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } ::sumAvg: 4.01 atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } ::sumAvg: 4.875 atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } atom: 195 18T-HB B 4.056 ambi=1 { CB:68.945 } ::sumAvg: 4.355 atom: 195 18T-HB B 4.056 ambi=1 { CB:68.945 } atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } ::sumAvg: 4.355 atom: 56 5S-QB B 3.784 ambi=2 { CB:65.178 } atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } ::sumAvg: 4.615 atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } atom: 56 5S-QB B 3.784 ambi=2 { CB:65.178 } ::sumAvg: 4.615 atom: 56 5S-QB B 3.784 ambi=2 { CB:65.178 } atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } ::sumAvg: 3.945 atom: 196 18T-HG2 G2 1.303 ambi=1 { CG2:21.426 } atom: 56 5S-QB B 3.784 ambi=2 { CB:65.178 } ::sumAvg: 3.665 atom: 43 4I-HG12 G1 1.164 ambi=2 { CG1:26.368 } atom: 54 5S-H N 7.482 ambi=1 { N:112.465 } :: atom: 44 4I-HG13 G1 1.025 ambi=2 { CG1:26.368 } atom: 54 5S-H N 7.482 ambi=1 { N:112.465 } ::sumAvg: 4.235 atom: 195 18T-HB B 4.056 ambi=1 { CB:68.945 } atom: 43 4I-HG12 G1 1.164 ambi=2 { CG1:26.368 } :: atom: 195 18T-HB B 4.056 ambi=1 { CB:68.945 } atom: 44 4I-HG13 G1 1.025 ambi=2 { CG1:26.368 } ::sumAvg: 4.375 atom: 43 4I-HG12 G1 1.164 ambi=2 { CG1:26.368 } atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } :: atom: 44 4I-HG13 G1 1.025 ambi=2 { CG1:26.368 } atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } ::sumAvg: 3.515 atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 43 4I-HG12 G1 1.164 ambi=2 { CG1:26.368 } :: atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 44 4I-HG13 G1 1.025 ambi=2 { CG1:26.368 } ::sumAvg: 3.515 atom: 43 4I-HG12 G1 1.164 ambi=2 { CG1:26.368 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } :: atom: 44 4I-HG13 G1 1.025 ambi=2 { CG1:26.368 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } ::sumAvg: 4.855 atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 43 4I-HG12 G1 1.164 ambi=2 { CG1:26.368 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 44 4I-HG13 G1 1.025 ambi=2 { CG1:26.368 } ::sumAvg: 4.855 atom: 43 4I-HG12 G1 1.164 ambi=2 { CG1:26.368 } atom: 216 20S-H N 8.121 ambi=1 { N:110.268 } :: atom: 44 4I-HG13 G1 1.025 ambi=2 { CG1:26.368 } atom: 216 20S-H N 8.121 ambi=1 { N:110.268 } ::sumAvg: 3.575 atom: 43 4I-HG12 G1 1.164 ambi=2 { CG1:26.368 } atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } :: atom: 43 4I-HG12 G1 1.164 ambi=2 { CG1:26.368 } atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } :: atom: 44 4I-HG13 G1 1.025 ambi=2 { CG1:26.368 } atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } :: atom: 44 4I-HG13 G1 1.025 ambi=2 { CG1:26.368 } atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } ::sumAvg: 3.78 atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } atom: 43 4I-HG12 G1 1.164 ambi=2 { CG1:26.368 } :: atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } atom: 43 4I-HG12 G1 1.164 ambi=2 { CG1:26.368 } :: atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } atom: 44 4I-HG13 G1 1.025 ambi=2 { CG1:26.368 } :: atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } atom: 44 4I-HG13 G1 1.025 ambi=2 { CG1:26.368 } ::sumAvg: 3.78 atom: 45 4I-HG2 G2 0.802 ambi=1 { CG2:16.57 } atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } ::sumAvg: 4.405 atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } atom: 45 4I-HG2 G2 0.802 ambi=1 { CG2:16.57 } ::sumAvg: 4.405 atom: 56 5S-QB B 3.784 ambi=2 { CB:65.178 } atom: 45 4I-HG2 G2 0.802 ambi=1 { CG2:16.57 } ::sumAvg: 3.68 atom: 45 4I-HG2 G2 0.802 ambi=1 { CG2:16.57 } atom: 195 18T-HB B 4.056 ambi=1 { CB:68.945 } ::sumAvg: 3.885 atom: 45 4I-HG2 G2 0.802 ambi=1 { CG2:16.57 } atom: 217 20S-HA A 4.033 ambi=1 { CA:59.557 } ::sumAvg: 3.86 atom: 217 20S-HA A 4.033 ambi=1 { CA:59.557 } atom: 45 4I-HG2 G2 0.802 ambi=1 { CG2:16.57 } ::sumAvg: 3.86 atom: 45 4I-HG2 G2 0.802 ambi=1 { CG2:16.57 } atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } :: atom: 45 4I-HG2 G2 0.802 ambi=1 { CG2:16.57 } atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } ::sumAvg: 4.915 atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } atom: 45 4I-HG2 G2 0.802 ambi=1 { CG2:16.57 } :: atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } atom: 45 4I-HG2 G2 0.802 ambi=1 { CG2:16.57 } ::sumAvg: 4.915 atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } atom: 54 5S-H N 7.482 ambi=1 { N:112.465 } ::sumAvg: 3.99 atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } atom: 195 18T-HB B 4.056 ambi=1 { CB:68.945 } ::sumAvg: 4.7 atom: 195 18T-HB B 4.056 ambi=1 { CB:68.945 } atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } ::sumAvg: 4.7 atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } ::sumAvg: 3.15 atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } ::sumAvg: 3.15 atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } :: atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } ::sumAvg: 4.78 atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } atom: 217 20S-HA A 4.033 ambi=1 { CA:59.557 } ::sumAvg: 3.7 atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } :: atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } ::sumAvg: 3.7 atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } atom: 54 5S-H N 7.482 ambi=1 { N:112.465 } ::sumAvg: 2.855 atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } atom: 54 5S-H N 7.482 ambi=1 { N:112.465 } ::sumAvg: 4.865 atom: 65 6I-HG12 G1 1.557 ambi=2 { CG1:28.113 } atom: 54 5S-H N 7.482 ambi=1 { N:112.465 } :: atom: 66 6I-HG13 G1 0.89 ambi=2 { CG1:28.113 } atom: 54 5S-H N 7.482 ambi=1 { N:112.465 } ::sumAvg: 4.555 atom: 68 6I-HD1 D1 0.829 ambi=1 { CD1:13.73 } atom: 54 5S-H N 7.482 ambi=1 { N:112.465 } ::sumAvg: 4.835 atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 54 5S-H N 7.482 ambi=1 { N:112.465 } ::sumAvg: 4.73 atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } atom: 54 5S-H N 7.482 ambi=1 { N:112.465 } ::sumAvg: 4.42 atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } atom: 54 5S-H N 7.482 ambi=1 { N:112.465 } ::sumAvg: 4.795 atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } atom: 64 6I-HB B 1.604 ambi=1 { CB:40.612 } ::sumAvg: 3 atom: 64 6I-HB B 1.604 ambi=1 { CB:40.612 } atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } ::sumAvg: 3 atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } atom: 78 7S-HB2 B 3.622 ambi=2 { CB:66.053 } :: atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } atom: 79 7S-HB3 B 3.744 ambi=2 { CB:66.053 } ::sumAvg: 4.35 atom: 78 7S-HB2 B 3.622 ambi=2 { CB:66.053 } atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } :: atom: 79 7S-HB3 B 3.744 ambi=2 { CB:66.053 } atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } ::sumAvg: 4.35 atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } atom: 65 6I-HG12 G1 1.557 ambi=2 { CG1:28.113 } :: atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } atom: 66 6I-HG13 G1 0.89 ambi=2 { CG1:28.113 } ::sumAvg: 2.9 atom: 65 6I-HG12 G1 1.557 ambi=2 { CG1:28.113 } atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } :: atom: 66 6I-HG13 G1 0.89 ambi=2 { CG1:28.113 } atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } ::sumAvg: 2.9 atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } atom: 67 6I-HG2 G2 0.702 ambi=1 { CG2:17.923 } ::sumAvg: 2.305 atom: 67 6I-HG2 G2 0.702 ambi=1 { CG2:17.923 } atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } ::sumAvg: 2.305 atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } atom: 68 6I-HD1 D1 0.829 ambi=1 { CD1:13.73 } ::sumAvg: 2.995 atom: 68 6I-HD1 D1 0.829 ambi=1 { CD1:13.73 } atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } ::sumAvg: 2.995 atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } atom: 76 7S-H N 9.201 ambi=1 { N:121.348 } ::sumAvg: 2.77 atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } atom: 153 15M-HB2 B 1.282 ambi=2 { CB:34.692 } :: atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } atom: 154 15M-HB3 B 0.912 ambi=2 { CB:34.692 } ::sumAvg: 4.515 atom: 153 15M-HB2 B 1.282 ambi=2 { CB:34.692 } atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } :: atom: 154 15M-HB3 B 0.912 ambi=2 { CB:34.692 } atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } ::sumAvg: 4.515 atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } atom: 162 16K-H N 8.74 ambi=1 { N:125.158 } ::sumAvg: 4.745 atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } atom: 182 17I-HG12 G1 0.993 ambi=2 { CG1:27.425 } :: atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } ::sumAvg: 4.575 atom: 182 17I-HG12 G1 0.993 ambi=2 { CG1:27.425 } atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } :: atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } ::sumAvg: 4.575 atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 4.515 atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } ::sumAvg: 4.515 atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } ::sumAvg: 3.945 atom: 66 6I-HG13 G1 0.89 ambi=2 { CG1:28.113 } atom: 64 6I-HB B 1.604 ambi=1 { CB:40.612 } ::sumAvg: 2.485 atom: 64 6I-HB B 1.604 ambi=1 { CB:40.612 } atom: 76 7S-H N 9.201 ambi=1 { N:121.348 } ::sumAvg: 3.19 atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } atom: 62 6I-H N 8.402 ambi=1 { N:122.071 } ::sumAvg: 2.925 atom: 65 6I-HG12 G1 1.557 ambi=2 { CG1:28.113 } atom: 62 6I-H N 8.402 ambi=1 { N:122.071 } :: atom: 66 6I-HG13 G1 0.89 ambi=2 { CG1:28.113 } atom: 62 6I-H N 8.402 ambi=1 { N:122.071 } ::sumAvg: 2.79 atom: 77 7S-HA A 4.814 ambi=1 { CA:56.896 } atom: 78 7S-HB2 B 3.622 ambi=2 { CB:66.053 } :: atom: 77 7S-HA A 4.814 ambi=1 { CA:56.896 } atom: 79 7S-HB3 B 3.744 ambi=2 { CB:66.053 } ::sumAvg: 2.43 atom: 78 7S-HB2 B 3.622 ambi=2 { CB:66.053 } atom: 77 7S-HA A 4.814 ambi=1 { CA:56.896 } :: atom: 79 7S-HB3 B 3.744 ambi=2 { CB:66.053 } atom: 77 7S-HA A 4.814 ambi=1 { CA:56.896 } ::sumAvg: 2.43 atom: 77 7S-HA A 4.814 ambi=1 { CA:56.896 } atom: 86 8E-HB2 B 2.113 ambi=2 { CB:30.736 } :: atom: 77 7S-HA A 4.814 ambi=1 { CA:56.896 } atom: 87 8E-HB3 B 1.938 ambi=2 { CB:30.736 } ::sumAvg: 4.755 atom: 86 8E-HB2 B 2.113 ambi=2 { CB:30.736 } atom: 77 7S-HA A 4.814 ambi=1 { CA:56.896 } :: atom: 87 8E-HB3 B 1.938 ambi=2 { CB:30.736 } atom: 77 7S-HA A 4.814 ambi=1 { CA:56.896 } ::sumAvg: 4.755 atom: 77 7S-HA A 4.814 ambi=1 { CA:56.896 } atom: 84 8E-H N 8.542 ambi=1 { N:123.371 } ::sumAvg: 2.545 atom: 77 7S-HA A 4.814 ambi=1 { CA:56.896 } atom: 88 8E-QG G 2.241 ambi=2 { CG:36.787 } ::sumAvg: 4.425 atom: 88 8E-QG G 2.241 ambi=2 { CG:36.787 } atom: 77 7S-HA A 4.814 ambi=1 { CA:56.896 } ::sumAvg: 4.425 atom: 77 7S-HA A 4.814 ambi=1 { CA:56.896 } atom: 95 9T-H N 8.663 ambi=1 { N:112.855 } ::sumAvg: 4.905 atom: 77 7S-HA A 4.814 ambi=1 { CA:56.896 } atom: 162 16K-H N 8.74 ambi=1 { N:125.158 } ::sumAvg: 4.06 atom: 77 7S-HA A 4.814 ambi=1 { CA:56.896 } atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } :: atom: 77 7S-HA A 4.814 ambi=1 { CA:56.896 } atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } ::sumAvg: 4.675 atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } atom: 77 7S-HA A 4.814 ambi=1 { CA:56.896 } :: atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } atom: 77 7S-HA A 4.814 ambi=1 { CA:56.896 } ::sumAvg: 4.675 atom: 78 7S-HB2 B 3.622 ambi=2 { CB:66.053 } atom: 85 8E-HA A 4.669 ambi=1 { CA:56.702 } :: atom: 79 7S-HB3 B 3.744 ambi=2 { CB:66.053 } atom: 85 8E-HA A 4.669 ambi=1 { CA:56.702 } ::sumAvg: 4.9 atom: 85 8E-HA A 4.669 ambi=1 { CA:56.702 } atom: 78 7S-HB2 B 3.622 ambi=2 { CB:66.053 } :: atom: 85 8E-HA A 4.669 ambi=1 { CA:56.702 } atom: 79 7S-HB3 B 3.744 ambi=2 { CB:66.053 } ::sumAvg: 4.9 atom: 88 8E-QG G 2.241 ambi=2 { CG:36.787 } atom: 78 7S-HB2 B 3.622 ambi=2 { CB:66.053 } :: atom: 88 8E-QG G 2.241 ambi=2 { CG:36.787 } atom: 79 7S-HB3 B 3.744 ambi=2 { CB:66.053 } ::sumAvg: 4.62 atom: 78 7S-HB2 B 3.622 ambi=2 { CB:66.053 } atom: 95 9T-H N 8.663 ambi=1 { N:112.855 } :: atom: 79 7S-HB3 B 3.744 ambi=2 { CB:66.053 } atom: 95 9T-H N 8.663 ambi=1 { N:112.855 } ::sumAvg: 4.635 atom: 78 7S-HB2 B 3.622 ambi=2 { CB:66.053 } atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } :: atom: 79 7S-HB3 B 3.744 ambi=2 { CB:66.053 } atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } ::sumAvg: 4.745 atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } atom: 78 7S-HB2 B 3.622 ambi=2 { CB:66.053 } :: atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } atom: 79 7S-HB3 B 3.744 ambi=2 { CB:66.053 } ::sumAvg: 4.745 atom: 153 15M-HB2 B 1.282 ambi=2 { CB:34.692 } atom: 78 7S-HB2 B 3.622 ambi=2 { CB:66.053 } :: atom: 154 15M-HB3 B 0.912 ambi=2 { CB:34.692 } atom: 78 7S-HB2 B 3.622 ambi=2 { CB:66.053 } :: atom: 153 15M-HB2 B 1.282 ambi=2 { CB:34.692 } atom: 79 7S-HB3 B 3.744 ambi=2 { CB:66.053 } :: atom: 154 15M-HB3 B 0.912 ambi=2 { CB:34.692 } atom: 79 7S-HB3 B 3.744 ambi=2 { CB:66.053 } ::sumAvg: 4.54 atom: 78 7S-HB2 B 3.622 ambi=2 { CB:66.053 } atom: 162 16K-H N 8.74 ambi=1 { N:125.158 } :: atom: 79 7S-HB3 B 3.744 ambi=2 { CB:66.053 } atom: 162 16K-H N 8.74 ambi=1 { N:125.158 } ::sumAvg: 3.285 atom: 168 16K-QD D 1.087 ambi=2 { CD:29.625 } atom: 78 7S-HB2 B 3.622 ambi=2 { CB:66.053 } :: atom: 168 16K-QD D 1.087 ambi=2 { CD:29.625 } atom: 79 7S-HB3 B 3.744 ambi=2 { CB:66.053 } ::sumAvg: 4.055 atom: 78 7S-HB2 B 3.622 ambi=2 { CB:66.053 } atom: 170 16K-HE2 E 2.033 ambi=2 { CE:41.036 } :: atom: 78 7S-HB2 B 3.622 ambi=2 { CB:66.053 } atom: 171 16K-HE3 E 1.431 ambi=2 { CE:41.036 } :: atom: 79 7S-HB3 B 3.744 ambi=2 { CB:66.053 } atom: 170 16K-HE2 E 2.033 ambi=2 { CE:41.036 } :: atom: 79 7S-HB3 B 3.744 ambi=2 { CB:66.053 } atom: 171 16K-HE3 E 1.431 ambi=2 { CE:41.036 } ::sumAvg: 4.985 atom: 170 16K-HE2 E 2.033 ambi=2 { CE:41.036 } atom: 78 7S-HB2 B 3.622 ambi=2 { CB:66.053 } :: atom: 171 16K-HE3 E 1.431 ambi=2 { CE:41.036 } atom: 78 7S-HB2 B 3.622 ambi=2 { CB:66.053 } :: atom: 170 16K-HE2 E 2.033 ambi=2 { CE:41.036 } atom: 79 7S-HB3 B 3.744 ambi=2 { CB:66.053 } :: atom: 171 16K-HE3 E 1.431 ambi=2 { CE:41.036 } atom: 79 7S-HB3 B 3.744 ambi=2 { CB:66.053 } ::sumAvg: 4.985 atom: 65 6I-HG12 G1 1.557 ambi=2 { CG1:28.113 } atom: 67 6I-HG2 G2 0.702 ambi=1 { CG2:17.923 } ::sumAvg: 2.37 atom: 65 6I-HG12 G1 1.557 ambi=2 { CG1:28.113 } atom: 76 7S-H N 9.201 ambi=1 { N:121.348 } :: atom: 66 6I-HG13 G1 0.89 ambi=2 { CG1:28.113 } atom: 76 7S-H N 9.201 ambi=1 { N:121.348 } ::sumAvg: 4.195 atom: 65 6I-HG12 G1 1.557 ambi=2 { CG1:28.113 } atom: 154 15M-HB3 B 0.912 ambi=2 { CB:34.692 } ::sumAvg: 4.905 atom: 154 15M-HB3 B 0.912 ambi=2 { CB:34.692 } atom: 65 6I-HG12 G1 1.557 ambi=2 { CG1:28.113 } ::sumAvg: 4.905 atom: 65 6I-HG12 G1 1.557 ambi=2 { CG1:28.113 } atom: 1561 15M-HE E 1.149 ambi=1 { CE:15.886 } ::sumAvg: 4.535 atom: 1561 15M-HE E 1.149 ambi=1 { CE:15.886 } atom: 65 6I-HG12 G1 1.557 ambi=2 { CG1:28.113 } ::sumAvg: 4.535 atom: 65 6I-HG12 G1 1.557 ambi=2 { CG1:28.113 } atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } :: atom: 66 6I-HG13 G1 0.89 ambi=2 { CG1:28.113 } atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } ::sumAvg: 4.055 atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 65 6I-HG12 G1 1.557 ambi=2 { CG1:28.113 } :: atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 66 6I-HG13 G1 0.89 ambi=2 { CG1:28.113 } ::sumAvg: 4.055 atom: 65 6I-HG12 G1 1.557 ambi=2 { CG1:28.113 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 4.935 atom: 65 6I-HG12 G1 1.557 ambi=2 { CG1:28.113 } atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } :: atom: 66 6I-HG13 G1 0.89 ambi=2 { CG1:28.113 } atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } ::sumAvg: 4.365 atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } atom: 65 6I-HG12 G1 1.557 ambi=2 { CG1:28.113 } :: atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } atom: 65 6I-HG12 G1 1.557 ambi=2 { CG1:28.113 } ::sumAvg: 4.58 atom: 67 6I-HG2 G2 0.702 ambi=1 { CG2:17.923 } atom: 77 7S-HA A 4.814 ambi=1 { CA:56.896 } ::sumAvg: 3.89 atom: 77 7S-HA A 4.814 ambi=1 { CA:56.896 } atom: 67 6I-HG2 G2 0.702 ambi=1 { CG2:17.923 } ::sumAvg: 3.89 atom: 67 6I-HG2 G2 0.702 ambi=1 { CG2:17.923 } atom: 84 8E-H N 8.542 ambi=1 { N:123.371 } ::sumAvg: 4.595 atom: 67 6I-HG2 G2 0.702 ambi=1 { CG2:17.923 } atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } ::sumAvg: 4.265 atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } atom: 67 6I-HG2 G2 0.702 ambi=1 { CG2:17.923 } ::sumAvg: 4.265 atom: 67 6I-HG2 G2 0.702 ambi=1 { CG2:17.923 } atom: 162 16K-H N 8.74 ambi=1 { N:125.158 } ::sumAvg: 3.755 atom: 67 6I-HG2 G2 0.702 ambi=1 { CG2:17.923 } atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } ::sumAvg: 4.09 atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 67 6I-HG2 G2 0.702 ambi=1 { CG2:17.923 } ::sumAvg: 4.09 atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } atom: 67 6I-HG2 G2 0.702 ambi=1 { CG2:17.923 } ::sumAvg: 4.05 atom: 68 6I-HD1 D1 0.829 ambi=1 { CD1:13.73 } atom: 76 7S-H N 9.201 ambi=1 { N:121.348 } ::sumAvg: 3.96 atom: 68 6I-HD1 D1 0.829 ambi=1 { CD1:13.73 } atom: 153 15M-HB2 B 1.282 ambi=2 { CB:34.692 } ::sumAvg: 4.85 atom: 153 15M-HB2 B 1.282 ambi=2 { CB:34.692 } atom: 68 6I-HD1 D1 0.829 ambi=1 { CD1:13.73 } ::sumAvg: 4.85 atom: 68 6I-HD1 D1 0.829 ambi=1 { CD1:13.73 } atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } ::sumAvg: 4.395 atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 68 6I-HD1 D1 0.829 ambi=1 { CD1:13.73 } ::sumAvg: 4.395 atom: 77 7S-HA A 4.814 ambi=1 { CA:56.896 } atom: 76 7S-H N 9.201 ambi=1 { N:121.348 } ::sumAvg: 2.605 atom: 153 15M-HB2 B 1.282 ambi=2 { CB:34.692 } atom: 76 7S-H N 9.201 ambi=1 { N:121.348 } :: atom: 154 15M-HB3 B 0.912 ambi=2 { CB:34.692 } atom: 76 7S-H N 9.201 ambi=1 { N:121.348 } ::sumAvg: 3.675 atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } atom: 76 7S-H N 9.201 ambi=1 { N:121.348 } :: atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } atom: 76 7S-H N 9.201 ambi=1 { N:121.348 } ::sumAvg: 4.53 atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 76 7S-H N 9.201 ambi=1 { N:121.348 } ::sumAvg: 4.77 atom: 85 8E-HA A 4.669 ambi=1 { CA:56.702 } atom: 86 8E-HB2 B 2.113 ambi=2 { CB:30.736 } :: atom: 85 8E-HA A 4.669 ambi=1 { CA:56.702 } atom: 87 8E-HB3 B 1.938 ambi=2 { CB:30.736 } ::sumAvg: 2.535 atom: 86 8E-HB2 B 2.113 ambi=2 { CB:30.736 } atom: 85 8E-HA A 4.669 ambi=1 { CA:56.702 } :: atom: 87 8E-HB3 B 1.938 ambi=2 { CB:30.736 } atom: 85 8E-HA A 4.669 ambi=1 { CA:56.702 } ::sumAvg: 2.535 atom: 85 8E-HA A 4.669 ambi=1 { CA:56.702 } atom: 88 8E-QG G 2.241 ambi=2 { CG:36.787 } ::sumAvg: 2.855 atom: 88 8E-QG G 2.241 ambi=2 { CG:36.787 } atom: 85 8E-HA A 4.669 ambi=1 { CA:56.702 } ::sumAvg: 2.855 atom: 85 8E-HA A 4.669 ambi=1 { CA:56.702 } atom: 98 9T-HG2 G2 1.108 ambi=1 { CG2:21.13 } ::sumAvg: 4.505 atom: 98 9T-HG2 G2 1.108 ambi=1 { CG2:21.13 } atom: 85 8E-HA A 4.669 ambi=1 { CA:56.702 } ::sumAvg: 4.505 atom: 85 8E-HA A 4.669 ambi=1 { CA:56.702 } atom: 95 9T-H N 8.663 ambi=1 { N:112.855 } ::sumAvg: 2.695 atom: 85 8E-HA A 4.669 ambi=1 { CA:56.702 } atom: 108 10P-HD2 D 3.839 ambi=2 { CD:51.341 } :: atom: 85 8E-HA A 4.669 ambi=1 { CA:56.702 } atom: 109 10P-HD3 D 3.643 ambi=2 { CD:51.341 } ::sumAvg: 4.77 atom: 108 10P-HD2 D 3.839 ambi=2 { CD:51.341 } atom: 85 8E-HA A 4.669 ambi=1 { CA:56.702 } :: atom: 109 10P-HD3 D 3.643 ambi=2 { CD:51.341 } atom: 85 8E-HA A 4.669 ambi=1 { CA:56.702 } ::sumAvg: 4.77 atom: 86 8E-HB2 B 2.113 ambi=2 { CB:30.736 } atom: 98 9T-HG2 G2 1.108 ambi=1 { CG2:21.13 } :: atom: 87 8E-HB3 B 1.938 ambi=2 { CB:30.736 } atom: 98 9T-HG2 G2 1.108 ambi=1 { CG2:21.13 } ::sumAvg: 4.09 atom: 86 8E-HB2 B 2.113 ambi=2 { CB:30.736 } atom: 95 9T-H N 8.663 ambi=1 { N:112.855 } :: atom: 87 8E-HB3 B 1.938 ambi=2 { CB:30.736 } atom: 95 9T-H N 8.663 ambi=1 { N:112.855 } ::sumAvg: 2.69 atom: 86 8E-HB2 B 2.113 ambi=2 { CB:30.736 } atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } :: atom: 87 8E-HB3 B 1.938 ambi=2 { CB:30.736 } atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } ::sumAvg: 4.305 atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } atom: 86 8E-HB2 B 2.113 ambi=2 { CB:30.736 } :: atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } atom: 87 8E-HB3 B 1.938 ambi=2 { CB:30.736 } ::sumAvg: 4.305 atom: 86 8E-HB2 B 2.113 ambi=2 { CB:30.736 } atom: 108 10P-HD2 D 3.839 ambi=2 { CD:51.341 } :: atom: 86 8E-HB2 B 2.113 ambi=2 { CB:30.736 } atom: 109 10P-HD3 D 3.643 ambi=2 { CD:51.341 } :: atom: 87 8E-HB3 B 1.938 ambi=2 { CB:30.736 } atom: 108 10P-HD2 D 3.839 ambi=2 { CD:51.341 } :: atom: 87 8E-HB3 B 1.938 ambi=2 { CB:30.736 } atom: 109 10P-HD3 D 3.643 ambi=2 { CD:51.341 } ::sumAvg: 4.11 atom: 85 8E-HA A 4.669 ambi=1 { CA:56.702 } atom: 84 8E-H N 8.542 ambi=1 { N:123.371 } ::sumAvg: 2.825 atom: 86 8E-HB2 B 2.113 ambi=2 { CB:30.736 } atom: 84 8E-H N 8.542 ambi=1 { N:123.371 } :: atom: 87 8E-HB3 B 1.938 ambi=2 { CB:30.736 } atom: 84 8E-H N 8.542 ambi=1 { N:123.371 } ::sumAvg: 2.82 atom: 88 8E-QG G 2.241 ambi=2 { CG:36.787 } atom: 84 8E-H N 8.542 ambi=1 { N:123.371 } ::sumAvg: 3 atom: 98 9T-HG2 G2 1.108 ambi=1 { CG2:21.13 } atom: 84 8E-H N 8.542 ambi=1 { N:123.371 } ::sumAvg: 3.875 atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } atom: 84 8E-H N 8.542 ambi=1 { N:123.371 } ::sumAvg: 4.975 atom: 108 10P-HD2 D 3.839 ambi=2 { CD:51.341 } atom: 84 8E-H N 8.542 ambi=1 { N:123.371 } :: atom: 109 10P-HD3 D 3.643 ambi=2 { CD:51.341 } atom: 84 8E-H N 8.542 ambi=1 { N:123.371 } ::sumAvg: 4.92 atom: 88 8E-QG G 2.241 ambi=2 { CG:36.787 } atom: 95 9T-H N 8.663 ambi=1 { N:112.855 } ::sumAvg: 4.09 atom: 103 10P-HA A 4.376 ambi=1 { CA:64.454 } atom: 98 9T-HG2 G2 1.108 ambi=1 { CG2:21.13 } ::sumAvg: 4.565 atom: 98 9T-HG2 G2 1.108 ambi=1 { CG2:21.13 } atom: 115 11N-H N 7.621 ambi=1 { N:114.72 } ::sumAvg: 3.385 atom: 98 9T-HG2 G2 1.108 ambi=1 { CG2:21.13 } atom: 117 11N-HB2 B 2.86 ambi=2 { CB:39.809 } :: atom: 98 9T-HG2 G2 1.108 ambi=1 { CG2:21.13 } atom: 118 11N-HB3 B 2.663 ambi=2 { CB:39.809 } ::sumAvg: 4.87 atom: 117 11N-HB2 B 2.86 ambi=2 { CB:39.809 } atom: 98 9T-HG2 G2 1.108 ambi=1 { CG2:21.13 } :: atom: 118 11N-HB3 B 2.663 ambi=2 { CB:39.809 } atom: 98 9T-HG2 G2 1.108 ambi=1 { CG2:21.13 } ::sumAvg: 4.87 atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } atom: 95 9T-H N 8.663 ambi=1 { N:112.855 } ::sumAvg: 2.94 atom: 97 9T-HB B 4.516 ambi=1 { CB:69.478 } atom: 95 9T-H N 8.663 ambi=1 { N:112.855 } ::sumAvg: 3.205 atom: 103 10P-HA A 4.376 ambi=1 { CA:64.454 } atom: 95 9T-H N 8.663 ambi=1 { N:112.855 } ::sumAvg: 4.685 atom: 108 10P-HD2 D 3.839 ambi=2 { CD:51.341 } atom: 95 9T-H N 8.663 ambi=1 { N:112.855 } :: atom: 109 10P-HD3 D 3.643 ambi=2 { CD:51.341 } atom: 95 9T-H N 8.663 ambi=1 { N:112.855 } ::sumAvg: 3.265 atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } atom: 98 9T-HG2 G2 1.108 ambi=1 { CG2:21.13 } ::sumAvg: 2.62 atom: 98 9T-HG2 G2 1.108 ambi=1 { CG2:21.13 } atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } ::sumAvg: 2.62 atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } atom: 97 9T-HB B 4.516 ambi=1 { CB:69.478 } ::sumAvg: 2.635 atom: 97 9T-HB B 4.516 ambi=1 { CB:69.478 } atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } ::sumAvg: 2.635 atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } atom: 106 10P-HG2 G 2.072 ambi=2 { CG:27.971 } :: atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } atom: 107 10P-HG3 G 1.915 ambi=2 { CG:27.971 } ::sumAvg: 4.935 atom: 106 10P-HG2 G 2.072 ambi=2 { CG:27.971 } atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } :: atom: 107 10P-HG3 G 1.915 ambi=2 { CG:27.971 } atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } ::sumAvg: 4.935 atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } atom: 103 10P-HA A 4.376 ambi=1 { CA:64.454 } ::sumAvg: 4.575 atom: 103 10P-HA A 4.376 ambi=1 { CA:64.454 } atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } ::sumAvg: 4.575 atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } atom: 108 10P-HD2 D 3.839 ambi=2 { CD:51.341 } :: atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } atom: 109 10P-HD3 D 3.643 ambi=2 { CD:51.341 } ::sumAvg: 2.915 atom: 108 10P-HD2 D 3.839 ambi=2 { CD:51.341 } atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } :: atom: 109 10P-HD3 D 3.643 ambi=2 { CD:51.341 } atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } ::sumAvg: 2.915 atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } atom: 115 11N-H N 7.621 ambi=1 { N:114.72 } ::sumAvg: 3.71 atom: 97 9T-HB B 4.516 ambi=1 { CB:69.478 } atom: 98 9T-HG2 G2 1.108 ambi=1 { CG2:21.13 } ::sumAvg: 2.125 atom: 97 9T-HB B 4.516 ambi=1 { CB:69.478 } atom: 108 10P-HD2 D 3.839 ambi=2 { CD:51.341 } :: atom: 97 9T-HB B 4.516 ambi=1 { CB:69.478 } atom: 109 10P-HD3 D 3.643 ambi=2 { CD:51.341 } ::sumAvg: 3.38 atom: 108 10P-HD2 D 3.839 ambi=2 { CD:51.341 } atom: 97 9T-HB B 4.516 ambi=1 { CB:69.478 } :: atom: 109 10P-HD3 D 3.643 ambi=2 { CD:51.341 } atom: 97 9T-HB B 4.516 ambi=1 { CB:69.478 } ::sumAvg: 3.38 atom: 97 9T-HB B 4.516 ambi=1 { CB:69.478 } atom: 115 11N-H N 7.621 ambi=1 { N:114.72 } ::sumAvg: 3.56 atom: 106 10P-HG2 G 2.072 ambi=2 { CG:27.971 } atom: 115 11N-H N 7.621 ambi=1 { N:114.72 } :: atom: 107 10P-HG3 G 1.915 ambi=2 { CG:27.971 } atom: 115 11N-H N 7.621 ambi=1 { N:114.72 } ::sumAvg: 3.925 atom: 103 10P-HA A 4.376 ambi=1 { CA:64.454 } atom: 106 10P-HG2 G 2.072 ambi=2 { CG:27.971 } :: atom: 103 10P-HA A 4.376 ambi=1 { CA:64.454 } atom: 107 10P-HG3 G 1.915 ambi=2 { CG:27.971 } ::sumAvg: 3.585 atom: 106 10P-HG2 G 2.072 ambi=2 { CG:27.971 } atom: 103 10P-HA A 4.376 ambi=1 { CA:64.454 } :: atom: 107 10P-HG3 G 1.915 ambi=2 { CG:27.971 } atom: 103 10P-HA A 4.376 ambi=1 { CA:64.454 } ::sumAvg: 3.585 atom: 103 10P-HA A 4.376 ambi=1 { CA:64.454 } atom: 105 10P-HB3 B 1.842 ambi=2 { CB:32.008 } :: atom: 103 10P-HA A 4.376 ambi=1 { CA:64.454 } atom: 104 10P-HB2 B 2.465 ambi=2 { CB:32.008 } ::sumAvg: 2.25 atom: 103 10P-HA A 4.376 ambi=1 { CA:64.454 } atom: 108 10P-HD2 D 3.839 ambi=2 { CD:51.341 } :: atom: 103 10P-HA A 4.376 ambi=1 { CA:64.454 } atom: 109 10P-HD3 D 3.643 ambi=2 { CD:51.341 } ::sumAvg: 3.585 atom: 108 10P-HD2 D 3.839 ambi=2 { CD:51.341 } atom: 103 10P-HA A 4.376 ambi=1 { CA:64.454 } :: atom: 109 10P-HD3 D 3.643 ambi=2 { CD:51.341 } atom: 103 10P-HA A 4.376 ambi=1 { CA:64.454 } ::sumAvg: 3.585 atom: 103 10P-HA A 4.376 ambi=1 { CA:64.454 } atom: 115 11N-H N 7.621 ambi=1 { N:114.72 } ::sumAvg: 3.27 atom: 103 10P-HA A 4.376 ambi=1 { CA:64.454 } atom: 116 11N-HA A 4.933 ambi=1 { CA:51.559 } ::sumAvg: 4.55 atom: 116 11N-HA A 4.933 ambi=1 { CA:51.559 } atom: 103 10P-HA A 4.376 ambi=1 { CA:64.454 } ::sumAvg: 4.55 atom: 105 10P-HB3 B 1.842 ambi=2 { CB:32.008 } atom: 115 11N-H N 7.621 ambi=1 { N:114.72 } :: atom: 104 10P-HB2 B 2.465 ambi=2 { CB:32.008 } atom: 115 11N-H N 7.621 ambi=1 { N:114.72 } ::sumAvg: 3.46 atom: 105 10P-HB3 B 1.842 ambi=2 { CB:32.008 } atom: 116 11N-HA A 4.933 ambi=1 { CA:51.559 } :: atom: 104 10P-HB2 B 2.465 ambi=2 { CB:32.008 } atom: 116 11N-HA A 4.933 ambi=1 { CA:51.559 } ::sumAvg: 4.35 atom: 116 11N-HA A 4.933 ambi=1 { CA:51.559 } atom: 105 10P-HB3 B 1.842 ambi=2 { CB:32.008 } :: atom: 116 11N-HA A 4.933 ambi=1 { CA:51.559 } atom: 104 10P-HB2 B 2.465 ambi=2 { CB:32.008 } ::sumAvg: 4.35 atom: 105 10P-HB3 B 1.842 ambi=2 { CB:32.008 } atom: 117 11N-HB2 B 2.86 ambi=2 { CB:39.809 } :: atom: 105 10P-HB3 B 1.842 ambi=2 { CB:32.008 } atom: 118 11N-HB3 B 2.663 ambi=2 { CB:39.809 } ::sumAvg: 4.305 atom: 117 11N-HB2 B 2.86 ambi=2 { CB:39.809 } atom: 105 10P-HB3 B 1.842 ambi=2 { CB:32.008 } :: atom: 118 11N-HB3 B 2.663 ambi=2 { CB:39.809 } atom: 105 10P-HB3 B 1.842 ambi=2 { CB:32.008 } ::sumAvg: 4.305 atom: 116 11N-HA A 4.933 ambi=1 { CA:51.559 } atom: 115 11N-H N 7.621 ambi=1 { N:114.72 } ::sumAvg: 2.93 atom: 125 12H-HA A 4.702 ambi=1 { CA:58.463 } atom: 115 11N-H N 7.621 ambi=1 { N:114.72 } ::sumAvg: 4.795 atom: 116 11N-HA A 4.933 ambi=1 { CA:51.559 } atom: 117 11N-HB2 B 2.86 ambi=2 { CB:39.809 } :: atom: 116 11N-HA A 4.933 ambi=1 { CA:51.559 } atom: 118 11N-HB3 B 2.663 ambi=2 { CB:39.809 } ::sumAvg: 2.47 atom: 117 11N-HB2 B 2.86 ambi=2 { CB:39.809 } atom: 116 11N-HA A 4.933 ambi=1 { CA:51.559 } :: atom: 118 11N-HB3 B 2.663 ambi=2 { CB:39.809 } atom: 116 11N-HA A 4.933 ambi=1 { CA:51.559 } ::sumAvg: 2.47 atom: 116 11N-HA A 4.933 ambi=1 { CA:51.559 } atom: 119 11N-HD21 D2 7.634 ambi=1 { ND2:113.599 } :: atom: 116 11N-HA A 4.933 ambi=1 { CA:51.559 } atom: 120 11N-HD22 D2 6.983 ambi=1 { ND2:113.599 } ::sumAvg: 3.395 atom: 116 11N-HA A 4.933 ambi=1 { CA:51.559 } atom: 126 12H-HB2 B 3.491 ambi=2 { CB:28.533 } :: atom: 116 11N-HA A 4.933 ambi=1 { CA:51.559 } atom: 127 12H-HB3 B 3.409 ambi=2 { CB:28.533 } ::sumAvg: 4.5 atom: 126 12H-HB2 B 3.491 ambi=2 { CB:28.533 } atom: 116 11N-HA A 4.933 ambi=1 { CA:51.559 } :: atom: 127 12H-HB3 B 3.409 ambi=2 { CB:28.533 } atom: 116 11N-HA A 4.933 ambi=1 { CA:51.559 } ::sumAvg: 4.5 atom: 117 11N-HB2 B 2.86 ambi=2 { CB:39.809 } atom: 125 12H-HA A 4.702 ambi=1 { CA:58.463 } :: atom: 118 11N-HB3 B 2.663 ambi=2 { CB:39.809 } atom: 125 12H-HA A 4.702 ambi=1 { CA:58.463 } ::sumAvg: 4.545 atom: 125 12H-HA A 4.702 ambi=1 { CA:58.463 } atom: 117 11N-HB2 B 2.86 ambi=2 { CB:39.809 } :: atom: 125 12H-HA A 4.702 ambi=1 { CA:58.463 } atom: 118 11N-HB3 B 2.663 ambi=2 { CB:39.809 } ::sumAvg: 4.545 atom: 125 12H-HA A 4.702 ambi=1 { CA:58.463 } atom: 126 12H-HB2 B 3.491 ambi=2 { CB:28.533 } :: atom: 125 12H-HA A 4.702 ambi=1 { CA:58.463 } atom: 127 12H-HB3 B 3.409 ambi=2 { CB:28.533 } ::sumAvg: 2.51 atom: 126 12H-HB2 B 3.491 ambi=2 { CB:28.533 } atom: 125 12H-HA A 4.702 ambi=1 { CA:58.463 } :: atom: 127 12H-HB3 B 3.409 ambi=2 { CB:28.533 } atom: 125 12H-HA A 4.702 ambi=1 { CA:58.463 } ::sumAvg: 2.51 atom: 125 12H-HA A 4.702 ambi=1 { CA:58.463 } atom: 1271 12H-HD2 D2 7.311 ambi=1 { CD2:120.513 } ::sumAvg: 3.5 atom: 1271 12H-HD2 D2 7.311 ambi=1 { CD2:120.513 } atom: 125 12H-HA A 4.702 ambi=1 { CA:58.463 } ::sumAvg: 3.5 atom: 125 12H-HA A 4.702 ambi=1 { CA:58.463 } atom: 131 13N-H N 8.511 ambi=1 { N:115.359 } ::sumAvg: 2.88 atom: 125 12H-HA A 4.702 ambi=1 { CA:58.463 } atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } ::sumAvg: 4.165 atom: 125 12H-HA A 4.702 ambi=1 { CA:58.463 } atom: 757 71W-HE1 E1 9.956 ambi=1 { NE1:127.607 } ::sumAvg: 3.915 atom: 126 12H-HB2 B 3.491 ambi=2 { CB:28.533 } atom: 1271 12H-HD2 D2 7.311 ambi=1 { CD2:120.513 } :: atom: 127 12H-HB3 B 3.409 ambi=2 { CB:28.533 } atom: 1271 12H-HD2 D2 7.311 ambi=1 { CD2:120.513 } ::sumAvg: 3.215 atom: 126 12H-HB2 B 3.491 ambi=2 { CB:28.533 } atom: 131 13N-H N 8.511 ambi=1 { N:115.359 } :: atom: 127 12H-HB3 B 3.409 ambi=2 { CB:28.533 } atom: 131 13N-H N 8.511 ambi=1 { N:115.359 } ::sumAvg: 3.005 atom: 126 12H-HB2 B 3.491 ambi=2 { CB:28.533 } atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } :: atom: 127 12H-HB3 B 3.409 ambi=2 { CB:28.533 } atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } ::sumAvg: 4.91 atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } atom: 126 12H-HB2 B 3.491 ambi=2 { CB:28.533 } :: atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } atom: 127 12H-HB3 B 3.409 ambi=2 { CB:28.533 } ::sumAvg: 4.91 atom: 126 12H-HB2 B 3.491 ambi=2 { CB:28.533 } atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } :: atom: 127 12H-HB3 B 3.409 ambi=2 { CB:28.533 } atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } ::sumAvg: 4.34 atom: 1271 12H-HD2 D2 7.311 ambi=1 { CD2:120.513 } atom: 131 13N-H N 8.511 ambi=1 { N:115.359 } ::sumAvg: 3.835 atom: 1271 12H-HD2 D2 7.311 ambi=1 { CD2:120.513 } atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } ::sumAvg: 4.595 atom: 1271 12H-HD2 D2 7.311 ambi=1 { CD2:120.513 } atom: 757 71W-HE1 E1 9.956 ambi=1 { NE1:127.607 } ::sumAvg: 3.625 atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } atom: 131 13N-H N 8.511 ambi=1 { N:115.359 } ::sumAvg: 2.6 atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } atom: 131 13N-H N 8.511 ambi=1 { N:115.359 } ::sumAvg: 4.735 atom: 145 14T-HG2 G2 1.213 ambi=1 { CG2:22.584 } atom: 131 13N-H N 8.511 ambi=1 { N:115.359 } ::sumAvg: 4.385 atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } atom: 131 13N-H N 8.511 ambi=1 { N:115.359 } ::sumAvg: 4.255 atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } atom: 133 13N-HB2 B 2.723 ambi=2 { CB:38.854 } :: atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } atom: 134 13N-HB3 B 3.33 ambi=2 { CB:38.854 } ::sumAvg: 2.41 atom: 133 13N-HB2 B 2.723 ambi=2 { CB:38.854 } atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } :: atom: 134 13N-HB3 B 3.33 ambi=2 { CB:38.854 } atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } ::sumAvg: 2.41 atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } atom: 135 13N-HD21 D2 7.375 ambi=1 { ND2:113.227 } :: atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } atom: 136 13N-HD22 D2 7.222 ambi=1 { ND2:113.227 } ::sumAvg: 2.685 atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } ::sumAvg: 3.49 atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } ::sumAvg: 4.54 atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } ::sumAvg: 4.54 atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } atom: 144 14T-HB B 3.824 ambi=1 { CB:71.595 } ::sumAvg: 4.965 atom: 144 14T-HB B 3.824 ambi=1 { CB:71.595 } atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } ::sumAvg: 4.965 atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } atom: 687 65K-H N 9.071 ambi=1 { N:120.964 } ::sumAvg: 3.865 atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } atom: 691 65K-HG2 G 0.968 ambi=2 { CG:22.321 } :: atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } atom: 692 65K-HG3 G 0.746 ambi=2 { CG:22.321 } ::sumAvg: 3.06 atom: 691 65K-HG2 G 0.968 ambi=2 { CG:22.321 } atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } :: atom: 692 65K-HG3 G 0.746 ambi=2 { CG:22.321 } atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } ::sumAvg: 3.06 atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } :: atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } ::sumAvg: 4.545 atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } :: atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } ::sumAvg: 4.545 atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } ::sumAvg: 3.865 atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } ::sumAvg: 3.865 atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } atom: 757 71W-HE1 E1 9.956 ambi=1 { NE1:127.607 } ::sumAvg: 3.89 atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } atom: 7571 71W-HZ2 Z2 7.494 ambi=1 { CZ2:115.95 } ::sumAvg: 4.745 atom: 7571 71W-HZ2 Z2 7.494 ambi=1 { CZ2:115.95 } atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } ::sumAvg: 4.745 atom: 133 13N-HB2 B 2.723 ambi=2 { CB:38.854 } atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } :: atom: 134 13N-HB3 B 3.33 ambi=2 { CB:38.854 } atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } ::sumAvg: 2.74 atom: 133 13N-HB2 B 2.723 ambi=2 { CB:38.854 } atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } :: atom: 134 13N-HB3 B 3.33 ambi=2 { CB:38.854 } atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } ::sumAvg: 4.74 atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } atom: 133 13N-HB2 B 2.723 ambi=2 { CB:38.854 } :: atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } atom: 134 13N-HB3 B 3.33 ambi=2 { CB:38.854 } ::sumAvg: 4.74 atom: 133 13N-HB2 B 2.723 ambi=2 { CB:38.854 } atom: 144 14T-HB B 3.824 ambi=1 { CB:71.595 } :: atom: 134 13N-HB3 B 3.33 ambi=2 { CB:38.854 } atom: 144 14T-HB B 3.824 ambi=1 { CB:71.595 } ::sumAvg: 3.815 atom: 144 14T-HB B 3.824 ambi=1 { CB:71.595 } atom: 133 13N-HB2 B 2.723 ambi=2 { CB:38.854 } :: atom: 144 14T-HB B 3.824 ambi=1 { CB:71.595 } atom: 134 13N-HB3 B 3.33 ambi=2 { CB:38.854 } ::sumAvg: 3.815 atom: 133 13N-HB2 B 2.723 ambi=2 { CB:38.854 } atom: 145 14T-HG2 G2 1.213 ambi=1 { CG2:22.584 } :: atom: 134 13N-HB3 B 3.33 ambi=2 { CB:38.854 } atom: 145 14T-HG2 G2 1.213 ambi=1 { CG2:22.584 } ::sumAvg: 3.195 atom: 145 14T-HG2 G2 1.213 ambi=1 { CG2:22.584 } atom: 133 13N-HB2 B 2.723 ambi=2 { CB:38.854 } :: atom: 145 14T-HG2 G2 1.213 ambi=1 { CG2:22.584 } atom: 134 13N-HB3 B 3.33 ambi=2 { CB:38.854 } ::sumAvg: 3.195 atom: 133 13N-HB2 B 2.723 ambi=2 { CB:38.854 } atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } :: atom: 134 13N-HB3 B 3.33 ambi=2 { CB:38.854 } atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } ::sumAvg: 4.93 atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } atom: 133 13N-HB2 B 2.723 ambi=2 { CB:38.854 } :: atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } atom: 134 13N-HB3 B 3.33 ambi=2 { CB:38.854 } ::sumAvg: 4.93 atom: 134 13N-HB3 B 3.33 ambi=2 { CB:38.854 } atom: 681 64D-HB2 B 2.429 ambi=2 { CB:41.773 } :: atom: 134 13N-HB3 B 3.33 ambi=2 { CB:38.854 } atom: 682 64D-HB3 B 2.828 ambi=2 { CB:41.773 } ::sumAvg: 4.65 atom: 681 64D-HB2 B 2.429 ambi=2 { CB:41.773 } atom: 134 13N-HB3 B 3.33 ambi=2 { CB:38.854 } :: atom: 682 64D-HB3 B 2.828 ambi=2 { CB:41.773 } atom: 134 13N-HB3 B 3.33 ambi=2 { CB:38.854 } ::sumAvg: 4.65 atom: 133 13N-HB2 B 2.723 ambi=2 { CB:38.854 } atom: 691 65K-HG2 G 0.968 ambi=2 { CG:22.321 } :: atom: 133 13N-HB2 B 2.723 ambi=2 { CB:38.854 } atom: 692 65K-HG3 G 0.746 ambi=2 { CG:22.321 } :: atom: 134 13N-HB3 B 3.33 ambi=2 { CB:38.854 } atom: 691 65K-HG2 G 0.968 ambi=2 { CG:22.321 } :: atom: 134 13N-HB3 B 3.33 ambi=2 { CB:38.854 } atom: 692 65K-HG3 G 0.746 ambi=2 { CG:22.321 } ::sumAvg: 4.395 atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } atom: 135 13N-HD21 D2 7.375 ambi=1 { ND2:113.227 } ::sumAvg: 4.98 atom: 145 14T-HG2 G2 1.213 ambi=1 { CG2:22.584 } atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } ::sumAvg: 2.32 atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } ::sumAvg: 4.65 atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } ::sumAvg: 4.51 atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } ::sumAvg: 4.42 atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } ::sumAvg: 4.42 atom: 153 15M-HB2 B 1.282 ambi=2 { CB:34.692 } atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } :: atom: 154 15M-HB3 B 0.912 ambi=2 { CB:34.692 } atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } ::sumAvg: 4.58 atom: 155 15M-HG2 G 1.282 ambi=2 { CG:31.698 } atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } :: atom: 156 15M-HG3 G 1.252 ambi=2 { CG:31.698 } atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } ::sumAvg: 4.125 atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } ::sumAvg: 4.275 atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } ::sumAvg: 4.625 atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } ::sumAvg: 4.625 atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } ::sumAvg: 4.61 atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } atom: 681 64D-HB2 B 2.429 ambi=2 { CB:41.773 } :: atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } atom: 682 64D-HB3 B 2.828 ambi=2 { CB:41.773 } ::sumAvg: 4.125 atom: 681 64D-HB2 B 2.429 ambi=2 { CB:41.773 } atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } :: atom: 682 64D-HB3 B 2.828 ambi=2 { CB:41.773 } atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } ::sumAvg: 4.125 atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } atom: 687 65K-H N 9.071 ambi=1 { N:120.964 } ::sumAvg: 3.315 atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } atom: 691 65K-HG2 G 0.968 ambi=2 { CG:22.321 } :: atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } atom: 692 65K-HG3 G 0.746 ambi=2 { CG:22.321 } ::sumAvg: 3.915 atom: 691 65K-HG2 G 0.968 ambi=2 { CG:22.321 } atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } :: atom: 692 65K-HG3 G 0.746 ambi=2 { CG:22.321 } atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } ::sumAvg: 3.915 atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } atom: 757 71W-HE1 E1 9.956 ambi=1 { NE1:127.607 } ::sumAvg: 4.76 atom: 144 14T-HB B 3.824 ambi=1 { CB:71.595 } atom: 151 15M-H N 8.994 ambi=1 { N:127.785 } ::sumAvg: 4.15 atom: 144 14T-HB B 3.824 ambi=1 { CB:71.595 } atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } ::sumAvg: 4.49 atom: 144 14T-HB B 3.824 ambi=1 { CB:71.595 } atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } ::sumAvg: 2.425 atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } atom: 144 14T-HB B 3.824 ambi=1 { CB:71.595 } ::sumAvg: 2.425 atom: 144 14T-HB B 3.824 ambi=1 { CB:71.595 } atom: 687 65K-H N 9.071 ambi=1 { N:120.964 } ::sumAvg: 3.98 atom: 145 14T-HG2 G2 1.213 ambi=1 { CG2:22.584 } atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } ::sumAvg: 3.955 atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } atom: 145 14T-HG2 G2 1.213 ambi=1 { CG2:22.584 } ::sumAvg: 3.955 atom: 145 14T-HG2 G2 1.213 ambi=1 { CG2:22.584 } atom: 681 64D-HB2 B 2.429 ambi=2 { CB:41.773 } :: atom: 145 14T-HG2 G2 1.213 ambi=1 { CG2:22.584 } atom: 682 64D-HB3 B 2.828 ambi=2 { CB:41.773 } ::sumAvg: 3.84 atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } atom: 151 15M-H N 8.994 ambi=1 { N:127.785 } ::sumAvg: 2.95 atom: 155 15M-HG2 G 1.282 ambi=2 { CG:31.698 } atom: 151 15M-H N 8.994 ambi=1 { N:127.785 } :: atom: 156 15M-HG3 G 1.252 ambi=2 { CG:31.698 } atom: 151 15M-H N 8.994 ambi=1 { N:127.785 } ::sumAvg: 2.695 atom: 1561 15M-HE E 1.149 ambi=1 { CE:15.886 } atom: 151 15M-H N 8.994 ambi=1 { N:127.785 } ::sumAvg: 4.125 atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } atom: 151 15M-H N 8.994 ambi=1 { N:127.785 } ::sumAvg: 4.535 atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } atom: 151 15M-H N 8.994 ambi=1 { N:127.785 } ::sumAvg: 3.965 atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } atom: 153 15M-HB2 B 1.282 ambi=2 { CB:34.692 } :: atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } atom: 154 15M-HB3 B 0.912 ambi=2 { CB:34.692 } ::sumAvg: 2.505 atom: 153 15M-HB2 B 1.282 ambi=2 { CB:34.692 } atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } :: atom: 154 15M-HB3 B 0.912 ambi=2 { CB:34.692 } atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } ::sumAvg: 2.505 atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } atom: 155 15M-HG2 G 1.282 ambi=2 { CG:31.698 } :: atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } atom: 156 15M-HG3 G 1.252 ambi=2 { CG:31.698 } ::sumAvg: 2.965 atom: 155 15M-HG2 G 1.282 ambi=2 { CG:31.698 } atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } :: atom: 156 15M-HG3 G 1.252 ambi=2 { CG:31.698 } atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } ::sumAvg: 2.965 atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } atom: 1561 15M-HE E 1.149 ambi=1 { CE:15.886 } ::sumAvg: 4.69 atom: 1561 15M-HE E 1.149 ambi=1 { CE:15.886 } atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } ::sumAvg: 4.69 atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } atom: 162 16K-H N 8.74 ambi=1 { N:125.158 } ::sumAvg: 2.295 atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } :: atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } ::sumAvg: 4.365 atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } :: atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } ::sumAvg: 4.365 atom: 153 15M-HB2 B 1.282 ambi=2 { CB:34.692 } atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } :: atom: 154 15M-HB3 B 0.912 ambi=2 { CB:34.692 } atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } ::sumAvg: 4.625 atom: 154 15M-HB3 B 0.912 ambi=2 { CB:34.692 } atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } ::sumAvg: 4.56 atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } atom: 154 15M-HB3 B 0.912 ambi=2 { CB:34.692 } ::sumAvg: 4.56 atom: 153 15M-HB2 B 1.282 ambi=2 { CB:34.692 } atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } :: atom: 154 15M-HB3 B 0.912 ambi=2 { CB:34.692 } atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } ::sumAvg: 4.745 atom: 153 15M-HB2 B 1.282 ambi=2 { CB:34.692 } atom: 7571 71W-HZ2 Z2 7.494 ambi=1 { CZ2:115.95 } :: atom: 154 15M-HB3 B 0.912 ambi=2 { CB:34.692 } atom: 7571 71W-HZ2 Z2 7.494 ambi=1 { CZ2:115.95 } ::sumAvg: 4.015 atom: 153 15M-HB2 B 1.282 ambi=2 { CB:34.692 } atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } :: atom: 154 15M-HB3 B 0.912 ambi=2 { CB:34.692 } atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } ::sumAvg: 4.3 atom: 155 15M-HG2 G 1.282 ambi=2 { CG:31.698 } atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } :: atom: 156 15M-HG3 G 1.252 ambi=2 { CG:31.698 } atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } ::sumAvg: 4.805 atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } atom: 155 15M-HG2 G 1.282 ambi=2 { CG:31.698 } :: atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } atom: 156 15M-HG3 G 1.252 ambi=2 { CG:31.698 } ::sumAvg: 4.345 atom: 155 15M-HG2 G 1.282 ambi=2 { CG:31.698 } atom: 757 71W-HE1 E1 9.956 ambi=1 { NE1:127.607 } :: atom: 156 15M-HG3 G 1.252 ambi=2 { CG:31.698 } atom: 757 71W-HE1 E1 9.956 ambi=1 { NE1:127.607 } ::sumAvg: 4.165 atom: 155 15M-HG2 G 1.282 ambi=2 { CG:31.698 } atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } :: atom: 156 15M-HG3 G 1.252 ambi=2 { CG:31.698 } atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } ::sumAvg: 3.745 atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } atom: 155 15M-HG2 G 1.282 ambi=2 { CG:31.698 } :: atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } atom: 156 15M-HG3 G 1.252 ambi=2 { CG:31.698 } ::sumAvg: 3.745 atom: 155 15M-HG2 G 1.282 ambi=2 { CG:31.698 } atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } :: atom: 156 15M-HG3 G 1.252 ambi=2 { CG:31.698 } atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } ::sumAvg: 4.82 atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } atom: 155 15M-HG2 G 1.282 ambi=2 { CG:31.698 } :: atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } atom: 156 15M-HG3 G 1.252 ambi=2 { CG:31.698 } ::sumAvg: 4.82 atom: 1561 15M-HE E 1.149 ambi=1 { CE:15.886 } atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } ::sumAvg: 4.6 atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } atom: 1561 15M-HE E 1.149 ambi=1 { CE:15.886 } ::sumAvg: 4.6 atom: 1561 15M-HE E 1.149 ambi=1 { CE:15.886 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } ::sumAvg: 4.585 atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 1561 15M-HE E 1.149 ambi=1 { CE:15.886 } ::sumAvg: 4.585 atom: 754 71W-HB2 B 3.356 ambi=2 { CB:30.141 } atom: 1561 15M-HE E 1.149 ambi=1 { CE:15.886 } :: atom: 755 71W-HB3 B 3.273 ambi=2 { CB:30.141 } atom: 1561 15M-HE E 1.149 ambi=1 { CE:15.886 } ::sumAvg: 3.53 atom: 1561 15M-HE E 1.149 ambi=1 { CE:15.886 } atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } ::sumAvg: 3.635 atom: 1561 15M-HE E 1.149 ambi=1 { CE:15.886 } atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } ::sumAvg: 3.295 atom: 1561 15M-HE E 1.149 ambi=1 { CE:15.886 } atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } ::sumAvg: 4.96 atom: 799 75L-HG G 2.041 ambi=1 { CG:27.248 } atom: 1561 15M-HE E 1.149 ambi=1 { CE:15.886 } ::sumAvg: 3.6 atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } atom: 162 16K-H N 8.74 ambi=1 { N:125.158 } ::sumAvg: 2.935 atom: 166 16K-HG2 G 1.058 ambi=2 { CG:25.371 } atom: 162 16K-H N 8.74 ambi=1 { N:125.158 } :: atom: 167 16K-HG3 G 0.877 ambi=2 { CG:25.371 } atom: 162 16K-H N 8.74 ambi=1 { N:125.158 } ::sumAvg: 3.295 atom: 168 16K-QD D 1.087 ambi=2 { CD:29.625 } atom: 162 16K-H N 8.74 ambi=1 { N:125.158 } ::sumAvg: 4.14 atom: 182 17I-HG12 G1 0.993 ambi=2 { CG1:27.425 } atom: 162 16K-H N 8.74 ambi=1 { N:125.158 } :: atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } atom: 162 16K-H N 8.74 ambi=1 { N:125.158 } ::sumAvg: 4.88 atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } atom: 162 16K-H N 8.74 ambi=1 { N:125.158 } ::sumAvg: 4.785 atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } :: atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } ::sumAvg: 2.505 atom: 166 16K-HG2 G 1.058 ambi=2 { CG:25.371 } atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } :: atom: 167 16K-HG3 G 0.877 ambi=2 { CG:25.371 } atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } ::sumAvg: 2.99 atom: 168 16K-QD D 1.087 ambi=2 { CD:29.625 } atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } ::sumAvg: 3.97 atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } atom: 181 17I-HB B 2.089 ambi=1 { CB:39.202 } ::sumAvg: 4.515 atom: 181 17I-HB B 2.089 ambi=1 { CB:39.202 } atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } ::sumAvg: 4.515 atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } atom: 182 17I-HG12 G1 0.993 ambi=2 { CG1:27.425 } :: atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } ::sumAvg: 3.725 atom: 182 17I-HG12 G1 0.993 ambi=2 { CG1:27.425 } atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } :: atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } ::sumAvg: 3.725 atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } ::sumAvg: 4.905 atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } ::sumAvg: 4.905 atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } :: atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } ::sumAvg: 4.39 atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } :: atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } ::sumAvg: 4.39 atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } atom: 640 60F-QD D 7.217 ambi=3 { CD1:133.198 } ::sumAvg: 3.62 atom: 640 60F-QD D 7.217 ambi=3 { CD1:133.198 } atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } ::sumAvg: 3.62 atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } ::sumAvg: 4.945 atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } ::sumAvg: 4.945 atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } ::sumAvg: 4.18 atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } ::sumAvg: 4.715 atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } ::sumAvg: 2.52 atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } ::sumAvg: 2.52 atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } ::sumAvg: 3.97 atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } ::sumAvg: 3.97 atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } ::sumAvg: 3.785 atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } :: atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } ::sumAvg: 4.695 atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } :: atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } atom: 163 16K-HA A 5.017 ambi=1 { CA:55.84 } ::sumAvg: 4.695 atom: 168 16K-QD D 1.087 ambi=2 { CD:29.625 } atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } ::sumAvg: 2.225 atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } atom: 170 16K-HE2 E 2.033 ambi=2 { CE:41.036 } ::sumAvg: 3.365 atom: 170 16K-HE2 E 2.033 ambi=2 { CE:41.036 } atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } ::sumAvg: 3.365 atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } :: atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } ::sumAvg: 3.365 atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } :: atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } ::sumAvg: 4.62 atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } :: atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } ::sumAvg: 4.62 atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } :: atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } :: atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } :: atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } ::sumAvg: 4.125 atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } atom: 640 60F-QD D 7.217 ambi=3 { CD1:133.198 } :: atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } atom: 640 60F-QD D 7.217 ambi=3 { CD1:133.198 } ::sumAvg: 3.585 atom: 640 60F-QD D 7.217 ambi=3 { CD1:133.198 } atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } :: atom: 640 60F-QD D 7.217 ambi=3 { CD1:133.198 } atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } ::sumAvg: 3.585 atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } :: atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } ::sumAvg: 4.585 atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } :: atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } ::sumAvg: 4.585 atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } :: atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } ::sumAvg: 4.46 atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } :: atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } ::sumAvg: 4.46 atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } :: atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } ::sumAvg: 4.655 atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } :: atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } ::sumAvg: 4.655 atom: 166 16K-HG2 G 1.058 ambi=2 { CG:25.371 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } :: atom: 167 16K-HG3 G 0.877 ambi=2 { CG:25.371 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } ::sumAvg: 3.145 atom: 166 16K-HG2 G 1.058 ambi=2 { CG:25.371 } atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } :: atom: 167 16K-HG3 G 0.877 ambi=2 { CG:25.371 } atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } ::sumAvg: 4.49 atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } atom: 166 16K-HG2 G 1.058 ambi=2 { CG:25.371 } :: atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } atom: 167 16K-HG3 G 0.877 ambi=2 { CG:25.371 } ::sumAvg: 4.49 atom: 166 16K-HG2 G 1.058 ambi=2 { CG:25.371 } atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } :: atom: 167 16K-HG3 G 0.877 ambi=2 { CG:25.371 } atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } ::sumAvg: 4.65 atom: 166 16K-HG2 G 1.058 ambi=2 { CG:25.371 } atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } :: atom: 167 16K-HG3 G 0.877 ambi=2 { CG:25.371 } atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } ::sumAvg: 4.545 atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } atom: 166 16K-HG2 G 1.058 ambi=2 { CG:25.371 } :: atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } atom: 167 16K-HG3 G 0.877 ambi=2 { CG:25.371 } ::sumAvg: 4.545 atom: 168 16K-QD D 1.087 ambi=2 { CD:29.625 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } ::sumAvg: 4.365 atom: 168 16K-QD D 1.087 ambi=2 { CD:29.625 } atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } :: atom: 168 16K-QD D 1.087 ambi=2 { CD:29.625 } atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } ::sumAvg: 3.88 atom: 168 16K-QD D 1.087 ambi=2 { CD:29.625 } atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } ::sumAvg: 4.475 atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } atom: 168 16K-QD D 1.087 ambi=2 { CD:29.625 } ::sumAvg: 4.475 atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } atom: 170 16K-HE2 E 2.033 ambi=2 { CE:41.036 } :: atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } atom: 170 16K-HE2 E 2.033 ambi=2 { CE:41.036 } :: atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } atom: 171 16K-HE3 E 1.431 ambi=2 { CE:41.036 } :: atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } atom: 171 16K-HE3 E 1.431 ambi=2 { CE:41.036 } ::sumAvg: 3.885 atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } atom: 170 16K-HE2 E 2.033 ambi=2 { CE:41.036 } :: atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } atom: 171 16K-HE3 E 1.431 ambi=2 { CE:41.036 } ::sumAvg: 4.84 atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } ::sumAvg: 2.935 atom: 181 17I-HB B 2.089 ambi=1 { CB:39.202 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } ::sumAvg: 2.585 atom: 182 17I-HG12 G1 0.993 ambi=2 { CG1:27.425 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } :: atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } ::sumAvg: 2.795 atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } ::sumAvg: 3.795 atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } ::sumAvg: 4.86 atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } ::sumAvg: 4.56 atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } :: atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } ::sumAvg: 3.285 atom: 640 60F-QD D 7.217 ambi=3 { CD1:133.198 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } ::sumAvg: 3.62 atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } ::sumAvg: 4.59 atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } ::sumAvg: 3.875 atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } ::sumAvg: 4.705 atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } ::sumAvg: 4.94 atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } :: atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } ::sumAvg: 4.595 atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 181 17I-HB B 2.089 ambi=1 { CB:39.202 } ::sumAvg: 3.025 atom: 181 17I-HB B 2.089 ambi=1 { CB:39.202 } atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } ::sumAvg: 3.025 atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 182 17I-HG12 G1 0.993 ambi=2 { CG1:27.425 } :: atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } ::sumAvg: 2.54 atom: 182 17I-HG12 G1 0.993 ambi=2 { CG1:27.425 } atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } :: atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } ::sumAvg: 2.54 atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 2.32 atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } ::sumAvg: 2.32 atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } ::sumAvg: 3.815 atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } ::sumAvg: 3.815 atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } ::sumAvg: 2.135 atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 195 18T-HB B 4.056 ambi=1 { CB:68.945 } ::sumAvg: 4.635 atom: 195 18T-HB B 4.056 ambi=1 { CB:68.945 } atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } ::sumAvg: 4.635 atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } :: atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } ::sumAvg: 4.945 atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } ::sumAvg: 4.945 atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } :: atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } ::sumAvg: 4.91 atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } :: atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } ::sumAvg: 4.91 atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } ::sumAvg: 4.565 atom: 181 17I-HB B 2.089 ambi=1 { CB:39.202 } atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } ::sumAvg: 4.315 atom: 181 17I-HB B 2.089 ambi=1 { CB:39.202 } atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } ::sumAvg: 4.53 atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } atom: 181 17I-HB B 2.089 ambi=1 { CB:39.202 } ::sumAvg: 4.53 atom: 181 17I-HB B 2.089 ambi=1 { CB:39.202 } atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } :: atom: 181 17I-HB B 2.089 ambi=1 { CB:39.202 } atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } ::sumAvg: 4.6 atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } atom: 181 17I-HB B 2.089 ambi=1 { CB:39.202 } :: atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } atom: 181 17I-HB B 2.089 ambi=1 { CB:39.202 } ::sumAvg: 4.6 atom: 181 17I-HB B 2.089 ambi=1 { CB:39.202 } atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } ::sumAvg: 2.735 atom: 181 17I-HB B 2.089 ambi=1 { CB:39.202 } atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } ::sumAvg: 4.765 atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } atom: 181 17I-HB B 2.089 ambi=1 { CB:39.202 } ::sumAvg: 4.765 atom: 650 61I-HG13 G1 1.27 ambi=2 { CG1:25.725 } atom: 181 17I-HB B 2.089 ambi=1 { CB:39.202 } ::sumAvg: 3.97 atom: 181 17I-HB B 2.089 ambi=1 { CB:39.202 } atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } ::sumAvg: 4.055 atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } atom: 181 17I-HB B 2.089 ambi=1 { CB:39.202 } ::sumAvg: 4.055 atom: 181 17I-HB B 2.089 ambi=1 { CB:39.202 } atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } ::sumAvg: 3.26 atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 2.32 atom: 182 17I-HG12 G1 0.993 ambi=2 { CG1:27.425 } atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } :: atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } ::sumAvg: 4.42 atom: 182 17I-HG12 G1 0.993 ambi=2 { CG1:27.425 } atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } :: atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } ::sumAvg: 4.565 atom: 182 17I-HG12 G1 0.993 ambi=2 { CG1:27.425 } atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } ::sumAvg: 4.075 atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } ::sumAvg: 4.75 atom: 182 17I-HG12 G1 0.993 ambi=2 { CG1:27.425 } atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } :: atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } ::sumAvg: 4.39 atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } atom: 182 17I-HG12 G1 0.993 ambi=2 { CG1:27.425 } :: atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } ::sumAvg: 4.39 atom: 182 17I-HG12 G1 0.993 ambi=2 { CG1:27.425 } atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } :: atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } ::sumAvg: 4.2 atom: 182 17I-HG12 G1 0.993 ambi=2 { CG1:27.425 } atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } :: atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } ::sumAvg: 4.365 atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } atom: 182 17I-HG12 G1 0.993 ambi=2 { CG1:27.425 } :: atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } ::sumAvg: 4.365 atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } ::sumAvg: 3.14 atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } ::sumAvg: 4.335 atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } ::sumAvg: 4.335 atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } ::sumAvg: 2.915 atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } ::sumAvg: 4.03 atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 4.03 atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } atom: 195 18T-HB B 4.056 ambi=1 { CB:68.945 } ::sumAvg: 4.58 atom: 195 18T-HB B 4.056 ambi=1 { CB:68.945 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 4.58 atom: 196 18T-HG2 G2 1.303 ambi=1 { CG2:21.426 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 4.875 atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } atom: 202 19L-H N 9.64 ambi=1 { N:128.781 } ::sumAvg: 4.3 atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } ::sumAvg: 4.015 atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 4.015 atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } atom: 206 19L-HG G 1.816 ambi=1 { CG:27.274 } ::sumAvg: 3.245 atom: 206 19L-HG G 1.816 ambi=1 { CG:27.274 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 3.245 atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } ::sumAvg: 4.445 atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 4.445 atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } :: atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } ::sumAvg: 4.975 atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } :: atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 4.975 atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } ::sumAvg: 3.855 atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } ::sumAvg: 3.69 atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 3.69 atom: 649 61I-HG12 G1 2.033 ambi=2 { CG1:25.725 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } :: atom: 650 61I-HG13 G1 1.27 ambi=2 { CG1:25.725 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 3.985 atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } :: atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 4.305 atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 4.39 atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } ::sumAvg: 4.465 atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 4.465 atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } ::sumAvg: 3.78 atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 3.78 atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } ::sumAvg: 3.97 atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 3.97 atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } ::sumAvg: 4.15 atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } ::sumAvg: 4.15 atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } ::sumAvg: 4.31 atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } ::sumAvg: 4.31 atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } ::sumAvg: 4.37 atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } ::sumAvg: 2.66 atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } ::sumAvg: 4.7 atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } ::sumAvg: 4.7 atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } ::sumAvg: 4.04 atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } ::sumAvg: 4.905 atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } ::sumAvg: 4.905 atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } ::sumAvg: 3.48 atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } ::sumAvg: 4.595 atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } ::sumAvg: 3.09 atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } ::sumAvg: 3.12 atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } ::sumAvg: 3.12 atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } ::sumAvg: 2.915 atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } ::sumAvg: 4.525 atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } atom: 195 18T-HB B 4.056 ambi=1 { CB:68.945 } ::sumAvg: 3.02 atom: 195 18T-HB B 4.056 ambi=1 { CB:68.945 } atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } ::sumAvg: 3.02 atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } atom: 196 18T-HG2 G2 1.303 ambi=1 { CG2:21.426 } ::sumAvg: 2.325 atom: 196 18T-HG2 G2 1.303 ambi=1 { CG2:21.426 } atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } ::sumAvg: 2.325 atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } atom: 202 19L-H N 9.64 ambi=1 { N:128.781 } ::sumAvg: 2.205 atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } :: atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } ::sumAvg: 4.745 atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } :: atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } ::sumAvg: 4.745 atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } atom: 206 19L-HG G 1.816 ambi=1 { CG:27.274 } ::sumAvg: 3.59 atom: 206 19L-HG G 1.816 ambi=1 { CG:27.274 } atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } ::sumAvg: 3.59 atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } :: atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } ::sumAvg: 4.035 atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } ::sumAvg: 4.035 atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } ::sumAvg: 3.24 atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } ::sumAvg: 3.24 atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } :: atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } ::sumAvg: 3.32 atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } :: atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } ::sumAvg: 3.32 atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } ::sumAvg: 4.395 atom: 195 18T-HB B 4.056 ambi=1 { CB:68.945 } atom: 202 19L-H N 9.64 ambi=1 { N:128.781 } ::sumAvg: 4.07 atom: 195 18T-HB B 4.056 ambi=1 { CB:68.945 } atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } ::sumAvg: 4.865 atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 195 18T-HB B 4.056 ambi=1 { CB:68.945 } ::sumAvg: 4.865 atom: 196 18T-HG2 G2 1.303 ambi=1 { CG2:21.426 } atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } ::sumAvg: 3.895 atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 196 18T-HG2 G2 1.303 ambi=1 { CG2:21.426 } ::sumAvg: 3.895 atom: 196 18T-HG2 G2 1.303 ambi=1 { CG2:21.426 } atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } ::sumAvg: 4.405 atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } atom: 196 18T-HG2 G2 1.303 ambi=1 { CG2:21.426 } ::sumAvg: 4.405 atom: 196 18T-HG2 G2 1.303 ambi=1 { CG2:21.426 } atom: 206 19L-HG G 1.816 ambi=1 { CG:27.274 } ::sumAvg: 4.375 atom: 206 19L-HG G 1.816 ambi=1 { CG:27.274 } atom: 196 18T-HG2 G2 1.303 ambi=1 { CG2:21.426 } ::sumAvg: 4.375 atom: 196 18T-HG2 G2 1.303 ambi=1 { CG2:21.426 } atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } :: atom: 196 18T-HG2 G2 1.303 ambi=1 { CG2:21.426 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } ::sumAvg: 4.48 atom: 196 18T-HG2 G2 1.303 ambi=1 { CG2:21.426 } atom: 216 20S-H N 8.121 ambi=1 { N:110.268 } ::sumAvg: 3.505 atom: 217 20S-HA A 4.033 ambi=1 { CA:59.557 } atom: 196 18T-HG2 G2 1.303 ambi=1 { CG2:21.426 } ::sumAvg: 3.765 atom: 196 18T-HG2 G2 1.303 ambi=1 { CG2:21.426 } atom: 224 21E-H N 6.961 ambi=1 { N:118.393 } ::sumAvg: 4.295 atom: 196 18T-HG2 G2 1.303 ambi=1 { CG2:21.426 } atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } ::sumAvg: 4.72 atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 202 19L-H N 9.64 ambi=1 { N:128.781 } ::sumAvg: 2.945 atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } atom: 202 19L-H N 9.64 ambi=1 { N:128.781 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 202 19L-H N 9.64 ambi=1 { N:128.781 } ::sumAvg: 4.115 atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } atom: 202 19L-H N 9.64 ambi=1 { N:128.781 } :: atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } atom: 202 19L-H N 9.64 ambi=1 { N:128.781 } ::sumAvg: 4.5 atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } :: atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } ::sumAvg: 2.405 atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } :: atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } ::sumAvg: 2.405 atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 206 19L-HG G 1.816 ambi=1 { CG:27.274 } ::sumAvg: 3.15 atom: 206 19L-HG G 1.816 ambi=1 { CG:27.274 } atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } ::sumAvg: 3.15 atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } :: atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } ::sumAvg: 2.135 atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 216 20S-H N 8.121 ambi=1 { N:110.268 } ::sumAvg: 2.82 atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 217 20S-HA A 4.033 ambi=1 { CA:59.557 } ::sumAvg: 4.71 atom: 217 20S-HA A 4.033 ambi=1 { CA:59.557 } atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } ::sumAvg: 4.71 atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } :: atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } ::sumAvg: 4.775 atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } :: atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } ::sumAvg: 4.775 atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } atom: 224 21E-H N 6.961 ambi=1 { N:118.393 } ::sumAvg: 4.035 atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } atom: 217 20S-HA A 4.033 ambi=1 { CA:59.557 } :: atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } atom: 217 20S-HA A 4.033 ambi=1 { CA:59.557 } ::sumAvg: 4.89 atom: 217 20S-HA A 4.033 ambi=1 { CA:59.557 } atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } :: atom: 217 20S-HA A 4.033 ambi=1 { CA:59.557 } atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } ::sumAvg: 4.89 atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } :: atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } :: atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } :: atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } ::sumAvg: 4.645 atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } :: atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } :: atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } :: atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } ::sumAvg: 4.645 atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } :: atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } ::sumAvg: 4.415 atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } :: atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } ::sumAvg: 4.415 atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } atom: 227 21E-HB3 B 2.082 ambi=2 { CB:33.366 } ::sumAvg: 4.25 atom: 227 21E-HB3 B 2.082 ambi=2 { CB:33.366 } atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } ::sumAvg: 4.25 atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } atom: 228 21E-HG2 G 2.227 ambi=2 { CG:36.076 } :: atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } atom: 229 21E-HG3 G 2.265 ambi=2 { CG:36.076 } ::sumAvg: 4.38 atom: 228 21E-HG2 G 2.227 ambi=2 { CG:36.076 } atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } :: atom: 229 21E-HG3 G 2.265 ambi=2 { CG:36.076 } atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } ::sumAvg: 4.38 atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } :: atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } ::sumAvg: 4.49 atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } :: atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } ::sumAvg: 4.49 atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } :: atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } :: atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } :: atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } ::sumAvg: 3.74 atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } :: atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } ::sumAvg: 3.74 atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } :: atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } ::sumAvg: 4.765 atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } :: atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } ::sumAvg: 4.955 atom: 206 19L-HG G 1.816 ambi=1 { CG:27.274 } atom: 216 20S-H N 8.121 ambi=1 { N:110.268 } ::sumAvg: 4.555 atom: 206 19L-HG G 1.816 ambi=1 { CG:27.274 } atom: 224 21E-H N 6.961 ambi=1 { N:118.393 } ::sumAvg: 4.775 atom: 206 19L-HG G 1.816 ambi=1 { CG:27.274 } atom: 636 60F-H N 8.971 ambi=1 { N:115.459 } ::sumAvg: 4.96 atom: 206 19L-HG G 1.816 ambi=1 { CG:27.274 } atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } :: atom: 206 19L-HG G 1.816 ambi=1 { CG:27.274 } atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } ::sumAvg: 4.805 atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } atom: 206 19L-HG G 1.816 ambi=1 { CG:27.274 } :: atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } atom: 206 19L-HG G 1.816 ambi=1 { CG:27.274 } ::sumAvg: 4.805 atom: 206 19L-HG G 1.816 ambi=1 { CG:27.274 } atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } ::sumAvg: 4.485 atom: 206 19L-HG G 1.816 ambi=1 { CG:27.274 } atom: 650 61I-HG13 G1 1.27 ambi=2 { CG1:25.725 } ::sumAvg: 4.035 atom: 650 61I-HG13 G1 1.27 ambi=2 { CG1:25.725 } atom: 206 19L-HG G 1.816 ambi=1 { CG:27.274 } ::sumAvg: 4.035 atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } atom: 206 19L-HG G 1.816 ambi=1 { CG:27.274 } ::sumAvg: 3.53 atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 228 21E-HG2 G 2.227 ambi=2 { CG:36.076 } :: atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 229 21E-HG3 G 2.265 ambi=2 { CG:36.076 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 228 21E-HG2 G 2.227 ambi=2 { CG:36.076 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 229 21E-HG3 G 2.265 ambi=2 { CG:36.076 } ::sumAvg: 4.755 atom: 228 21E-HG2 G 2.227 ambi=2 { CG:36.076 } atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } :: atom: 229 21E-HG3 G 2.265 ambi=2 { CG:36.076 } atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } :: atom: 228 21E-HG2 G 2.227 ambi=2 { CG:36.076 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } :: atom: 229 21E-HG3 G 2.265 ambi=2 { CG:36.076 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } ::sumAvg: 4.755 atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 278 26M-HG2 G 2.646 ambi=2 { CG:32.262 } :: atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 279 26M-HG3 G 2.621 ambi=2 { CG:32.262 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 278 26M-HG2 G 2.646 ambi=2 { CG:32.262 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 279 26M-HG3 G 2.621 ambi=2 { CG:32.262 } ::sumAvg: 3.995 atom: 278 26M-HG2 G 2.646 ambi=2 { CG:32.262 } atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } :: atom: 279 26M-HG3 G 2.621 ambi=2 { CG:32.262 } atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } :: atom: 278 26M-HG2 G 2.646 ambi=2 { CG:32.262 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } :: atom: 279 26M-HG3 G 2.621 ambi=2 { CG:32.262 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } ::sumAvg: 3.995 atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } ::sumAvg: 2.315 atom: 600 56H-HD2 D2 7.256 ambi=1 { CD2:118.543 } atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } :: atom: 600 56H-HD2 D2 7.256 ambi=1 { CD2:118.543 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } ::sumAvg: 4.35 atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } ::sumAvg: 3.56 atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } :: atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } ::sumAvg: 3.56 atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } :: atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } ::sumAvg: 4.485 atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } :: atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } ::sumAvg: 4.485 atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 636 60F-H N 8.971 ambi=1 { N:115.459 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 636 60F-H N 8.971 ambi=1 { N:115.459 } ::sumAvg: 4.175 atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } ::sumAvg: 3.33 atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } ::sumAvg: 4.28 atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } :: atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } ::sumAvg: 4.2 atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } :: atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } ::sumAvg: 4.2 atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } ::sumAvg: 4.625 atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } ::sumAvg: 4.625 atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } ::sumAvg: 2.38 atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } :: atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } ::sumAvg: 4.41 atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } atom: 216 20S-H N 8.121 ambi=1 { N:110.268 } :: atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } atom: 216 20S-H N 8.121 ambi=1 { N:110.268 } ::sumAvg: 2.755 atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } atom: 216 20S-H N 8.121 ambi=1 { N:110.268 } ::sumAvg: 4.69 atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } atom: 217 20S-HA A 4.033 ambi=1 { CA:59.557 } ::sumAvg: 2.425 atom: 217 20S-HA A 4.033 ambi=1 { CA:59.557 } atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } ::sumAvg: 4.815 atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } atom: 217 20S-HA A 4.033 ambi=1 { CA:59.557 } ::sumAvg: 4.815 atom: 217 20S-HA A 4.033 ambi=1 { CA:59.557 } atom: 226 21E-HB2 B 1.735 ambi=2 { CB:33.366 } :: atom: 217 20S-HA A 4.033 ambi=1 { CA:59.557 } atom: 227 21E-HB3 B 2.082 ambi=2 { CB:33.366 } ::sumAvg: 4.945 atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } :: atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } ::sumAvg: 1.8 atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } :: atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } ::sumAvg: 1.8 atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } atom: 224 21E-H N 6.961 ambi=1 { N:118.393 } :: atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } atom: 224 21E-H N 6.961 ambi=1 { N:118.393 } ::sumAvg: 3.86 atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } atom: 224 21E-H N 6.961 ambi=1 { N:118.393 } ::sumAvg: 2.605 atom: 228 21E-HG2 G 2.227 ambi=2 { CG:36.076 } atom: 224 21E-H N 6.961 ambi=1 { N:118.393 } :: atom: 229 21E-HG3 G 2.265 ambi=2 { CG:36.076 } atom: 224 21E-H N 6.961 ambi=1 { N:118.393 } ::sumAvg: 3.62 atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } atom: 224 21E-H N 6.961 ambi=1 { N:118.393 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 224 21E-H N 6.961 ambi=1 { N:118.393 } ::sumAvg: 3.955 atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } atom: 226 21E-HB2 B 1.735 ambi=2 { CB:33.366 } :: atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } atom: 227 21E-HB3 B 2.082 ambi=2 { CB:33.366 } ::sumAvg: 2.535 atom: 226 21E-HB2 B 1.735 ambi=2 { CB:33.366 } atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } :: atom: 227 21E-HB3 B 2.082 ambi=2 { CB:33.366 } atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } ::sumAvg: 2.535 atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } atom: 228 21E-HG2 G 2.227 ambi=2 { CG:36.076 } :: atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } atom: 229 21E-HG3 G 2.265 ambi=2 { CG:36.076 } ::sumAvg: 2.445 atom: 228 21E-HG2 G 2.227 ambi=2 { CG:36.076 } atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } :: atom: 229 21E-HG3 G 2.265 ambi=2 { CG:36.076 } atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } ::sumAvg: 2.445 atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } atom: 235 22S-H N 8.623 ambi=1 { N:115.935 } ::sumAvg: 2.4 atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } atom: 237 22S-QB B 3.6785 ambi=2 { CB:65.168 } ::sumAvg: 4.235 atom: 237 22S-QB B 3.6785 ambi=2 { CB:65.168 } atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } ::sumAvg: 4.235 atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } ::sumAvg: 4.9 atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } ::sumAvg: 4.9 atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } :: atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } ::sumAvg: 3.905 atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 225 21E-HA A 4.734 ambi=1 { CA:54.655 } ::sumAvg: 3.905 atom: 226 21E-HB2 B 1.735 ambi=2 { CB:33.366 } atom: 236 22S-HA A 4.67 ambi=1 { CA:57.137 } :: atom: 227 21E-HB3 B 2.082 ambi=2 { CB:33.366 } atom: 236 22S-HA A 4.67 ambi=1 { CA:57.137 } ::sumAvg: 4.47 atom: 236 22S-HA A 4.67 ambi=1 { CA:57.137 } atom: 226 21E-HB2 B 1.735 ambi=2 { CB:33.366 } :: atom: 236 22S-HA A 4.67 ambi=1 { CA:57.137 } atom: 227 21E-HB3 B 2.082 ambi=2 { CB:33.366 } ::sumAvg: 4.47 atom: 226 21E-HB2 B 1.735 ambi=2 { CB:33.366 } atom: 243 23R-H N 8.191 ambi=1 { N:123.783 } :: atom: 227 21E-HB3 B 2.082 ambi=2 { CB:33.366 } atom: 243 23R-H N 8.191 ambi=1 { N:123.783 } ::sumAvg: 4.81 atom: 226 21E-HB2 B 1.735 ambi=2 { CB:33.366 } atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } :: atom: 226 21E-HB2 B 1.735 ambi=2 { CB:33.366 } atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } :: atom: 227 21E-HB3 B 2.082 ambi=2 { CB:33.366 } atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } ::sumAvg: 3.865 atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } atom: 226 21E-HB2 B 1.735 ambi=2 { CB:33.366 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 226 21E-HB2 B 1.735 ambi=2 { CB:33.366 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 227 21E-HB3 B 2.082 ambi=2 { CB:33.366 } ::sumAvg: 3.865 atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } atom: 228 21E-HG2 G 2.227 ambi=2 { CG:36.076 } :: atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } atom: 229 21E-HG3 G 2.265 ambi=2 { CG:36.076 } ::sumAvg: 4.455 atom: 236 22S-HA A 4.67 ambi=1 { CA:57.137 } atom: 235 22S-H N 8.623 ambi=1 { N:115.935 } ::sumAvg: 2.905 atom: 244 23R-HA A 4.188 ambi=1 { CA:56.683 } atom: 235 22S-H N 8.623 ambi=1 { N:115.935 } ::sumAvg: 4.965 atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } atom: 235 22S-H N 8.623 ambi=1 { N:115.935 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 235 22S-H N 8.623 ambi=1 { N:115.935 } ::sumAvg: 3.74 atom: 236 22S-HA A 4.67 ambi=1 { CA:57.137 } atom: 237 22S-QB B 3.6785 ambi=2 { CB:65.168 } ::sumAvg: 2.315 atom: 237 22S-QB B 3.6785 ambi=2 { CB:65.168 } atom: 236 22S-HA A 4.67 ambi=1 { CA:57.137 } ::sumAvg: 2.315 atom: 236 22S-HA A 4.67 ambi=1 { CA:57.137 } atom: 243 23R-H N 8.191 ambi=1 { N:123.783 } ::sumAvg: 2.735 atom: 236 22S-HA A 4.67 ambi=1 { CA:57.137 } atom: 244 23R-HA A 4.188 ambi=1 { CA:56.683 } ::sumAvg: 4.72 atom: 244 23R-HA A 4.188 ambi=1 { CA:56.683 } atom: 236 22S-HA A 4.67 ambi=1 { CA:57.137 } ::sumAvg: 4.72 atom: 236 22S-HA A 4.67 ambi=1 { CA:57.137 } atom: 245 23R-HB2 B 1.625 ambi=2 { CB:31.369 } :: atom: 236 22S-HA A 4.67 ambi=1 { CA:57.137 } atom: 246 23R-HB3 B 1.804 ambi=2 { CB:31.369 } ::sumAvg: 4.65 atom: 245 23R-HB2 B 1.625 ambi=2 { CB:31.369 } atom: 236 22S-HA A 4.67 ambi=1 { CA:57.137 } :: atom: 246 23R-HB3 B 1.804 ambi=2 { CB:31.369 } atom: 236 22S-HA A 4.67 ambi=1 { CA:57.137 } ::sumAvg: 4.65 atom: 236 22S-HA A 4.67 ambi=1 { CA:57.137 } atom: 250 23R-QD D 2.4215 ambi=2 { CD:41.989 } ::sumAvg: 4.95 atom: 250 23R-QD D 2.4215 ambi=2 { CD:41.989 } atom: 236 22S-HA A 4.67 ambi=1 { CA:57.137 } ::sumAvg: 4.95 atom: 236 22S-HA A 4.67 ambi=1 { CA:57.137 } atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } :: atom: 236 22S-HA A 4.67 ambi=1 { CA:57.137 } atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } ::sumAvg: 4.235 atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } atom: 236 22S-HA A 4.67 ambi=1 { CA:57.137 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 236 22S-HA A 4.67 ambi=1 { CA:57.137 } ::sumAvg: 4.235 atom: 237 22S-QB B 3.6785 ambi=2 { CB:65.168 } atom: 244 23R-HA A 4.188 ambi=1 { CA:56.683 } ::sumAvg: 4.65 atom: 244 23R-HA A 4.188 ambi=1 { CA:56.683 } atom: 237 22S-QB B 3.6785 ambi=2 { CB:65.168 } ::sumAvg: 4.65 atom: 245 23R-HB2 B 1.625 ambi=2 { CB:31.369 } atom: 237 22S-QB B 3.6785 ambi=2 { CB:65.168 } :: atom: 246 23R-HB3 B 1.804 ambi=2 { CB:31.369 } atom: 237 22S-QB B 3.6785 ambi=2 { CB:65.168 } ::sumAvg: 4.575 atom: 237 22S-QB B 3.6785 ambi=2 { CB:65.168 } atom: 247 23R-HG2 G 1.535 ambi=2 { CG:27.264 } :: atom: 237 22S-QB B 3.6785 ambi=2 { CB:65.168 } atom: 248 23R-HG3 G 1.282 ambi=2 { CG:27.264 } ::sumAvg: 4.315 atom: 247 23R-HG2 G 1.535 ambi=2 { CG:27.264 } atom: 237 22S-QB B 3.6785 ambi=2 { CB:65.168 } :: atom: 248 23R-HG3 G 1.282 ambi=2 { CG:27.264 } atom: 237 22S-QB B 3.6785 ambi=2 { CB:65.168 } ::sumAvg: 4.315 atom: 237 22S-QB B 3.6785 ambi=2 { CB:65.168 } atom: 268 25G-H N 8.463 ambi=1 { N:111.861 } ::sumAvg: 4.95 atom: 244 23R-HA A 4.188 ambi=1 { CA:56.683 } atom: 243 23R-H N 8.191 ambi=1 { N:123.783 } ::sumAvg: 2.585 atom: 250 23R-QD D 2.4215 ambi=2 { CD:41.989 } atom: 243 23R-H N 8.191 ambi=1 { N:123.783 } ::sumAvg: 3.805 atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } atom: 243 23R-H N 8.191 ambi=1 { N:123.783 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 243 23R-H N 8.191 ambi=1 { N:123.783 } ::sumAvg: 4.515 atom: 244 23R-HA A 4.188 ambi=1 { CA:56.683 } atom: 245 23R-HB2 B 1.625 ambi=2 { CB:31.369 } :: atom: 244 23R-HA A 4.188 ambi=1 { CA:56.683 } atom: 246 23R-HB3 B 1.804 ambi=2 { CB:31.369 } ::sumAvg: 2.525 atom: 244 23R-HA A 4.188 ambi=1 { CA:56.683 } atom: 247 23R-HG2 G 1.535 ambi=2 { CG:27.264 } :: atom: 244 23R-HA A 4.188 ambi=1 { CA:56.683 } atom: 248 23R-HG3 G 1.282 ambi=2 { CG:27.264 } ::sumAvg: 2.97 atom: 244 23R-HA A 4.188 ambi=1 { CA:56.683 } atom: 250 23R-QD D 2.4215 ambi=2 { CD:41.989 } ::sumAvg: 3.23 atom: 250 23R-QD D 2.4215 ambi=2 { CD:41.989 } atom: 244 23R-HA A 4.188 ambi=1 { CA:56.683 } ::sumAvg: 3.23 atom: 244 23R-HA A 4.188 ambi=1 { CA:56.683 } atom: 257 24E-H N 8.661 ambi=1 { N:122.151 } ::sumAvg: 2.73 atom: 244 23R-HA A 4.188 ambi=1 { CA:56.683 } atom: 259 24E-HB2 B 2.084 ambi=2 { CB:29.913 } :: atom: 244 23R-HA A 4.188 ambi=1 { CA:56.683 } atom: 260 24E-HB3 B 1.987 ambi=2 { CB:29.913 } ::sumAvg: 4.575 atom: 244 23R-HA A 4.188 ambi=1 { CA:56.683 } atom: 261 24E-QG G 2.269 ambi=2 { CG:36.206 } ::sumAvg: 4.66 atom: 244 23R-HA A 4.188 ambi=1 { CA:56.683 } atom: 268 25G-H N 8.463 ambi=1 { N:111.861 } ::sumAvg: 4.39 atom: 258 24E-HA A 4.203 ambi=1 { CA:56.863 } atom: 245 23R-HB2 B 1.625 ambi=2 { CB:31.369 } :: atom: 258 24E-HA A 4.203 ambi=1 { CA:56.863 } atom: 246 23R-HB3 B 1.804 ambi=2 { CB:31.369 } ::sumAvg: 4.84 atom: 261 24E-QG G 2.269 ambi=2 { CG:36.206 } atom: 245 23R-HB2 B 1.625 ambi=2 { CB:31.369 } :: atom: 261 24E-QG G 2.269 ambi=2 { CG:36.206 } atom: 246 23R-HB3 B 1.804 ambi=2 { CB:31.369 } ::sumAvg: 4.75 atom: 245 23R-HB2 B 1.625 ambi=2 { CB:31.369 } atom: 268 25G-H N 8.463 ambi=1 { N:111.861 } :: atom: 246 23R-HB3 B 1.804 ambi=2 { CB:31.369 } atom: 268 25G-H N 8.463 ambi=1 { N:111.861 } ::sumAvg: 4.655 atom: 247 23R-HG2 G 1.535 ambi=2 { CG:27.264 } atom: 257 24E-H N 8.661 ambi=1 { N:122.151 } :: atom: 248 23R-HG3 G 1.282 ambi=2 { CG:27.264 } atom: 257 24E-H N 8.661 ambi=1 { N:122.151 } ::sumAvg: 3.33 atom: 250 23R-QD D 2.4215 ambi=2 { CD:41.989 } atom: 257 24E-H N 8.661 ambi=1 { N:122.151 } ::sumAvg: 4.435 atom: 258 24E-HA A 4.203 ambi=1 { CA:56.863 } atom: 257 24E-H N 8.661 ambi=1 { N:122.151 } ::sumAvg: 2.57 atom: 261 24E-QG G 2.269 ambi=2 { CG:36.206 } atom: 257 24E-H N 8.661 ambi=1 { N:122.151 } ::sumAvg: 3.35 atom: 259 24E-HB2 B 2.084 ambi=2 { CB:29.913 } atom: 269 25G-QA A 3.985 ambi=2 { CA:45.348 } :: atom: 260 24E-HB3 B 1.987 ambi=2 { CB:29.913 } atom: 269 25G-QA A 3.985 ambi=2 { CA:45.348 } ::sumAvg: 4.09 atom: 269 25G-QA A 3.985 ambi=2 { CA:45.348 } atom: 259 24E-HB2 B 2.084 ambi=2 { CB:29.913 } :: atom: 269 25G-QA A 3.985 ambi=2 { CA:45.348 } atom: 260 24E-HB3 B 1.987 ambi=2 { CB:29.913 } ::sumAvg: 4.09 atom: 261 24E-QG G 2.269 ambi=2 { CG:36.206 } atom: 268 25G-H N 8.463 ambi=1 { N:111.861 } ::sumAvg: 3.655 atom: 269 25G-QA A 3.985 ambi=2 { CA:45.348 } atom: 261 24E-QG G 2.269 ambi=2 { CG:36.206 } ::sumAvg: 4.345 atom: 261 24E-QG G 2.269 ambi=2 { CG:36.206 } atom: 274 26M-H N 8.661 ambi=1 { N:118.985 } ::sumAvg: 4.86 atom: 275 26M-HA A 4.681 ambi=1 { CA:54.635 } atom: 268 25G-H N 8.463 ambi=1 { N:111.861 } ::sumAvg: 4.56 atom: 278 26M-HG2 G 2.646 ambi=2 { CG:32.262 } atom: 268 25G-H N 8.463 ambi=1 { N:111.861 } :: atom: 279 26M-HG3 G 2.621 ambi=2 { CG:32.262 } atom: 268 25G-H N 8.463 ambi=1 { N:111.861 } ::sumAvg: 4.96 atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } atom: 268 25G-H N 8.463 ambi=1 { N:111.861 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 268 25G-H N 8.463 ambi=1 { N:111.861 } ::sumAvg: 4.91 atom: 269 25G-QA A 3.985 ambi=2 { CA:45.348 } atom: 275 26M-HA A 4.681 ambi=1 { CA:54.635 } ::sumAvg: 4.265 atom: 275 26M-HA A 4.681 ambi=1 { CA:54.635 } atom: 269 25G-QA A 3.985 ambi=2 { CA:45.348 } ::sumAvg: 4.265 atom: 269 25G-QA A 3.985 ambi=2 { CA:45.348 } atom: 276 26M-HB2 B 2.272 ambi=2 { CB:32.103 } :: atom: 269 25G-QA A 3.985 ambi=2 { CA:45.348 } atom: 277 26M-HB3 B 1.913 ambi=2 { CB:32.103 } ::sumAvg: 4.57 atom: 276 26M-HB2 B 2.272 ambi=2 { CB:32.103 } atom: 269 25G-QA A 3.985 ambi=2 { CA:45.348 } :: atom: 277 26M-HB3 B 1.913 ambi=2 { CB:32.103 } atom: 269 25G-QA A 3.985 ambi=2 { CA:45.348 } ::sumAvg: 4.57 atom: 269 25G-QA A 3.985 ambi=2 { CA:45.348 } atom: 278 26M-HG2 G 2.646 ambi=2 { CG:32.262 } :: atom: 269 25G-QA A 3.985 ambi=2 { CA:45.348 } atom: 279 26M-HG3 G 2.621 ambi=2 { CG:32.262 } ::sumAvg: 4.535 atom: 278 26M-HG2 G 2.646 ambi=2 { CG:32.262 } atom: 269 25G-QA A 3.985 ambi=2 { CA:45.348 } :: atom: 279 26M-HG3 G 2.621 ambi=2 { CG:32.262 } atom: 269 25G-QA A 3.985 ambi=2 { CA:45.348 } ::sumAvg: 4.535 atom: 269 25G-QA A 3.985 ambi=2 { CA:45.348 } atom: 285 27T-H N 7.601 ambi=1 { N:112.356 } ::sumAvg: 4.13 atom: 269 25G-QA A 3.985 ambi=2 { CA:45.348 } atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } :: atom: 269 25G-QA A 3.985 ambi=2 { CA:45.348 } atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } ::sumAvg: 4.83 atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } atom: 269 25G-QA A 3.985 ambi=2 { CA:45.348 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 269 25G-QA A 3.985 ambi=2 { CA:45.348 } ::sumAvg: 4.83 atom: 275 26M-HA A 4.681 ambi=1 { CA:54.635 } atom: 274 26M-H N 8.661 ambi=1 { N:118.985 } ::sumAvg: 2.61 atom: 276 26M-HB2 B 2.272 ambi=2 { CB:32.103 } atom: 274 26M-H N 8.661 ambi=1 { N:118.985 } :: atom: 277 26M-HB3 B 1.913 ambi=2 { CB:32.103 } atom: 274 26M-H N 8.661 ambi=1 { N:118.985 } ::sumAvg: 2.94 atom: 278 26M-HG2 G 2.646 ambi=2 { CG:32.262 } atom: 274 26M-H N 8.661 ambi=1 { N:118.985 } :: atom: 279 26M-HG3 G 2.621 ambi=2 { CG:32.262 } atom: 274 26M-H N 8.661 ambi=1 { N:118.985 } ::sumAvg: 3.44 atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } atom: 274 26M-H N 8.661 ambi=1 { N:118.985 } ::sumAvg: 4.825 atom: 618 58M-HA A 3.804 ambi=1 { CA:57.73 } atom: 274 26M-H N 8.661 ambi=1 { N:118.985 } ::sumAvg: 4.515 atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } atom: 274 26M-H N 8.661 ambi=1 { N:118.985 } ::sumAvg: 4.4 atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } atom: 274 26M-H N 8.661 ambi=1 { N:118.985 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 274 26M-H N 8.661 ambi=1 { N:118.985 } ::sumAvg: 4.775 atom: 275 26M-HA A 4.681 ambi=1 { CA:54.635 } atom: 276 26M-HB2 B 2.272 ambi=2 { CB:32.103 } :: atom: 275 26M-HA A 4.681 ambi=1 { CA:54.635 } atom: 277 26M-HB3 B 1.913 ambi=2 { CB:32.103 } ::sumAvg: 2.485 atom: 276 26M-HB2 B 2.272 ambi=2 { CB:32.103 } atom: 275 26M-HA A 4.681 ambi=1 { CA:54.635 } :: atom: 277 26M-HB3 B 1.913 ambi=2 { CB:32.103 } atom: 275 26M-HA A 4.681 ambi=1 { CA:54.635 } ::sumAvg: 2.485 atom: 275 26M-HA A 4.681 ambi=1 { CA:54.635 } atom: 278 26M-HG2 G 2.646 ambi=2 { CG:32.262 } :: atom: 275 26M-HA A 4.681 ambi=1 { CA:54.635 } atom: 279 26M-HG3 G 2.621 ambi=2 { CG:32.262 } ::sumAvg: 2.845 atom: 278 26M-HG2 G 2.646 ambi=2 { CG:32.262 } atom: 275 26M-HA A 4.681 ambi=1 { CA:54.635 } :: atom: 279 26M-HG3 G 2.621 ambi=2 { CG:32.262 } atom: 275 26M-HA A 4.681 ambi=1 { CA:54.635 } ::sumAvg: 2.845 atom: 275 26M-HA A 4.681 ambi=1 { CA:54.635 } atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } ::sumAvg: 4.43 atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } atom: 275 26M-HA A 4.681 ambi=1 { CA:54.635 } ::sumAvg: 4.43 atom: 275 26M-HA A 4.681 ambi=1 { CA:54.635 } atom: 285 27T-H N 7.601 ambi=1 { N:112.356 } ::sumAvg: 2.83 atom: 275 26M-HA A 4.681 ambi=1 { CA:54.635 } atom: 286 27T-HA A 4.276 ambi=1 { CA:62.137 } ::sumAvg: 4.725 atom: 286 27T-HA A 4.276 ambi=1 { CA:62.137 } atom: 275 26M-HA A 4.681 ambi=1 { CA:54.635 } ::sumAvg: 4.725 atom: 275 26M-HA A 4.681 ambi=1 { CA:54.635 } atom: 288 27T-HG2 G2 1.233 ambi=1 { CG2:21.838 } ::sumAvg: 4.345 atom: 288 27T-HG2 G2 1.233 ambi=1 { CG2:21.838 } atom: 275 26M-HA A 4.681 ambi=1 { CA:54.635 } ::sumAvg: 4.345 atom: 276 26M-HB2 B 2.272 ambi=2 { CB:32.103 } atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } ::sumAvg: 3.045 atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } atom: 276 26M-HB2 B 2.272 ambi=2 { CB:32.103 } ::sumAvg: 3.045 atom: 276 26M-HB2 B 2.272 ambi=2 { CB:32.103 } atom: 285 27T-H N 7.601 ambi=1 { N:112.356 } :: atom: 277 26M-HB3 B 1.913 ambi=2 { CB:32.103 } atom: 285 27T-H N 7.601 ambi=1 { N:112.356 } ::sumAvg: 2.985 atom: 288 27T-HG2 G2 1.233 ambi=1 { CG2:21.838 } atom: 276 26M-HB2 B 2.272 ambi=2 { CB:32.103 } :: atom: 288 27T-HG2 G2 1.233 ambi=1 { CG2:21.838 } atom: 277 26M-HB3 B 1.913 ambi=2 { CB:32.103 } ::sumAvg: 4.59 atom: 276 26M-HB2 B 2.272 ambi=2 { CB:32.103 } atom: 600 56H-HD2 D2 7.256 ambi=1 { CD2:118.543 } :: atom: 277 26M-HB3 B 1.913 ambi=2 { CB:32.103 } atom: 600 56H-HD2 D2 7.256 ambi=1 { CD2:118.543 } ::sumAvg: 4.9 atom: 600 56H-HD2 D2 7.256 ambi=1 { CD2:118.543 } atom: 276 26M-HB2 B 2.272 ambi=2 { CB:32.103 } :: atom: 600 56H-HD2 D2 7.256 ambi=1 { CD2:118.543 } atom: 277 26M-HB3 B 1.913 ambi=2 { CB:32.103 } ::sumAvg: 4.9 atom: 276 26M-HB2 B 2.272 ambi=2 { CB:32.103 } atom: 618 58M-HA A 3.804 ambi=1 { CA:57.73 } :: atom: 277 26M-HB3 B 1.913 ambi=2 { CB:32.103 } atom: 618 58M-HA A 3.804 ambi=1 { CA:57.73 } ::sumAvg: 4.96 atom: 618 58M-HA A 3.804 ambi=1 { CA:57.73 } atom: 276 26M-HB2 B 2.272 ambi=2 { CB:32.103 } :: atom: 618 58M-HA A 3.804 ambi=1 { CA:57.73 } atom: 277 26M-HB3 B 1.913 ambi=2 { CB:32.103 } ::sumAvg: 4.96 atom: 276 26M-HB2 B 2.272 ambi=2 { CB:32.103 } atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } :: atom: 277 26M-HB3 B 1.913 ambi=2 { CB:32.103 } atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } ::sumAvg: 4.305 atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } atom: 276 26M-HB2 B 2.272 ambi=2 { CB:32.103 } :: atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } atom: 277 26M-HB3 B 1.913 ambi=2 { CB:32.103 } ::sumAvg: 4.305 atom: 278 26M-HG2 G 2.646 ambi=2 { CG:32.262 } atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } :: atom: 279 26M-HG3 G 2.621 ambi=2 { CG:32.262 } atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } ::sumAvg: 2.19 atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } atom: 278 26M-HG2 G 2.646 ambi=2 { CG:32.262 } :: atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } atom: 279 26M-HG3 G 2.621 ambi=2 { CG:32.262 } ::sumAvg: 2.19 atom: 278 26M-HG2 G 2.646 ambi=2 { CG:32.262 } atom: 285 27T-H N 7.601 ambi=1 { N:112.356 } :: atom: 279 26M-HG3 G 2.621 ambi=2 { CG:32.262 } atom: 285 27T-H N 7.601 ambi=1 { N:112.356 } ::sumAvg: 4.505 atom: 278 26M-HG2 G 2.646 ambi=2 { CG:32.262 } atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } :: atom: 279 26M-HG3 G 2.621 ambi=2 { CG:32.262 } atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } ::sumAvg: 3.965 atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } atom: 278 26M-HG2 G 2.646 ambi=2 { CG:32.262 } :: atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } atom: 279 26M-HG3 G 2.621 ambi=2 { CG:32.262 } ::sumAvg: 3.965 atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } ::sumAvg: 3.73 atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } ::sumAvg: 3.73 atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } :: atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } ::sumAvg: 4.775 atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } ::sumAvg: 4.775 atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } ::sumAvg: 4.63 atom: 286 27T-HA A 4.276 ambi=1 { CA:62.137 } atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } ::sumAvg: 4.615 atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } atom: 286 27T-HA A 4.276 ambi=1 { CA:62.137 } ::sumAvg: 4.615 atom: 286 27T-HA A 4.276 ambi=1 { CA:62.137 } atom: 296 28S-HB2 B 3.473 ambi=2 { CB:67.031 } :: atom: 286 27T-HA A 4.276 ambi=1 { CA:62.137 } atom: 297 28S-HB3 B 3.53 ambi=2 { CB:67.031 } ::sumAvg: 4.225 atom: 296 28S-HB2 B 3.473 ambi=2 { CB:67.031 } atom: 286 27T-HA A 4.276 ambi=1 { CA:62.137 } :: atom: 297 28S-HB3 B 3.53 ambi=2 { CB:67.031 } atom: 286 27T-HA A 4.276 ambi=1 { CA:62.137 } ::sumAvg: 4.225 atom: 287 27T-HB B 4.234 ambi=1 { CB:70.256 } atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } ::sumAvg: 4.87 atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } atom: 287 27T-HB B 4.234 ambi=1 { CB:70.256 } ::sumAvg: 4.87 atom: 288 27T-HG2 G2 1.233 ambi=1 { CG2:21.838 } atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } ::sumAvg: 4.355 atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } atom: 288 27T-HG2 G2 1.233 ambi=1 { CG2:21.838 } ::sumAvg: 4.355 atom: 288 27T-HG2 G2 1.233 ambi=1 { CG2:21.838 } atom: 296 28S-HB2 B 3.473 ambi=2 { CB:67.031 } :: atom: 288 27T-HG2 G2 1.233 ambi=1 { CG2:21.838 } atom: 297 28S-HB3 B 3.53 ambi=2 { CB:67.031 } ::sumAvg: 4.695 atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } atom: 294 28S-H N 8.37 ambi=1 { N:116.874 } ::sumAvg: 2.895 atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } atom: 294 28S-H N 8.37 ambi=1 { N:116.874 } ::sumAvg: 4.91 atom: 304 29D-HB2 B 1.969 ambi=2 { CB:47.234 } atom: 294 28S-H N 8.37 ambi=1 { N:116.874 } :: atom: 305 29D-HB3 B 1.723 ambi=2 { CB:47.234 } atom: 294 28S-H N 8.37 ambi=1 { N:116.874 } ::sumAvg: 4.77 atom: 607 57V-HA A 3.774 ambi=1 { CA:60.176 } atom: 294 28S-H N 8.37 ambi=1 { N:116.874 } ::sumAvg: 4.72 atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } atom: 296 28S-HB2 B 3.473 ambi=2 { CB:67.031 } :: atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } atom: 297 28S-HB3 B 3.53 ambi=2 { CB:67.031 } ::sumAvg: 2.4 atom: 296 28S-HB2 B 3.473 ambi=2 { CB:67.031 } atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } :: atom: 297 28S-HB3 B 3.53 ambi=2 { CB:67.031 } atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } ::sumAvg: 2.4 atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } ::sumAvg: 2.195 atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } atom: 304 29D-HB2 B 1.969 ambi=2 { CB:47.234 } :: atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } atom: 305 29D-HB3 B 1.723 ambi=2 { CB:47.234 } ::sumAvg: 4.425 atom: 304 29D-HB2 B 1.969 ambi=2 { CB:47.234 } atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } :: atom: 305 29D-HB3 B 1.723 ambi=2 { CB:47.234 } atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } ::sumAvg: 4.425 atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } ::sumAvg: 4.805 atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } ::sumAvg: 4.775 atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } ::sumAvg: 4.775 atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } atom: 598 56H-HB2 B 3.239 ambi=2 { CB:37.218 } :: atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } atom: 599 56H-HB3 B 2.67 ambi=2 { CB:37.218 } ::sumAvg: 3.44 atom: 598 56H-HB2 B 3.239 ambi=2 { CB:37.218 } atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } :: atom: 599 56H-HB3 B 2.67 ambi=2 { CB:37.218 } atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } ::sumAvg: 3.44 atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } atom: 600 56H-HD2 D2 7.256 ambi=1 { CD2:118.543 } ::sumAvg: 4.125 atom: 600 56H-HD2 D2 7.256 ambi=1 { CD2:118.543 } atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } ::sumAvg: 4.125 atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } atom: 606 57V-H N 8.072 ambi=1 { N:127.671 } ::sumAvg: 4.1 atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } atom: 607 57V-HA A 3.774 ambi=1 { CA:60.176 } ::sumAvg: 2.37 atom: 607 57V-HA A 3.774 ambi=1 { CA:60.176 } atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } ::sumAvg: 2.37 atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } atom: 608 57V-HB B 1.217 ambi=1 { CB:34.14 } ::sumAvg: 3.805 atom: 608 57V-HB B 1.217 ambi=1 { CB:34.14 } atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } ::sumAvg: 3.805 atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } atom: 609 57V-HG1 G1 0.278 ambi=2 { CG1:21.368 } :: atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } atom: 610 57V-HG2 G2 0.787 ambi=2 { CG2:22.132 } ::sumAvg: 3.745 atom: 609 57V-HG1 G1 0.278 ambi=2 { CG1:21.368 } atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } :: atom: 610 57V-HG2 G2 0.787 ambi=2 { CG2:22.132 } atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } ::sumAvg: 3.745 atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } atom: 617 58M-H N 9.14 ambi=1 { N:119.988 } ::sumAvg: 4.275 atom: 296 28S-HB2 B 3.473 ambi=2 { CB:67.031 } atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } :: atom: 297 28S-HB3 B 3.53 ambi=2 { CB:67.031 } atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } ::sumAvg: 4.45 atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } atom: 296 28S-HB2 B 3.473 ambi=2 { CB:67.031 } :: atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } atom: 297 28S-HB3 B 3.53 ambi=2 { CB:67.031 } ::sumAvg: 4.45 atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } atom: 296 28S-HB2 B 3.473 ambi=2 { CB:67.031 } :: atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } atom: 297 28S-HB3 B 3.53 ambi=2 { CB:67.031 } ::sumAvg: 3.94 atom: 296 28S-HB2 B 3.473 ambi=2 { CB:67.031 } atom: 5904 55F-HZ Z 6.775 ambi=1 { CZ:130.724 } :: atom: 297 28S-HB3 B 3.53 ambi=2 { CB:67.031 } atom: 5904 55F-HZ Z 6.775 ambi=1 { CZ:130.724 } ::sumAvg: 4.095 atom: 5904 55F-HZ Z 6.775 ambi=1 { CZ:130.724 } atom: 296 28S-HB2 B 3.473 ambi=2 { CB:67.031 } :: atom: 5904 55F-HZ Z 6.775 ambi=1 { CZ:130.724 } atom: 297 28S-HB3 B 3.53 ambi=2 { CB:67.031 } ::sumAvg: 4.095 atom: 296 28S-HB2 B 3.473 ambi=2 { CB:67.031 } atom: 617 58M-H N 9.14 ambi=1 { N:119.988 } :: atom: 297 28S-HB3 B 3.53 ambi=2 { CB:67.031 } atom: 617 58M-H N 9.14 ambi=1 { N:119.988 } ::sumAvg: 3.335 atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } ::sumAvg: 2.89 atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } ::sumAvg: 4.66 atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } ::sumAvg: 4.745 atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } ::sumAvg: 4.9 atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } ::sumAvg: 4.76 atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } ::sumAvg: 4.48 atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } ::sumAvg: 4.345 atom: 598 56H-HB2 B 3.239 ambi=2 { CB:37.218 } atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } :: atom: 599 56H-HB3 B 2.67 ambi=2 { CB:37.218 } atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } ::sumAvg: 2.345 atom: 600 56H-HD2 D2 7.256 ambi=1 { CD2:118.543 } atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } ::sumAvg: 4.825 atom: 607 57V-HA A 3.774 ambi=1 { CA:60.176 } atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } ::sumAvg: 3.955 atom: 608 57V-HB B 1.217 ambi=1 { CB:34.14 } atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } ::sumAvg: 4.35 atom: 609 57V-HG1 G1 0.278 ambi=2 { CG1:21.368 } atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } :: atom: 610 57V-HG2 G2 0.787 ambi=2 { CG2:22.132 } atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } ::sumAvg: 4.855 atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } atom: 304 29D-HB2 B 1.969 ambi=2 { CB:47.234 } :: atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } atom: 305 29D-HB3 B 1.723 ambi=2 { CB:47.234 } ::sumAvg: 2.525 atom: 304 29D-HB2 B 1.969 ambi=2 { CB:47.234 } atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } :: atom: 305 29D-HB3 B 1.723 ambi=2 { CB:47.234 } atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } ::sumAvg: 2.525 atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } atom: 310 30T-H N 8.189 ambi=1 { N:115.249 } ::sumAvg: 2.27 atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } atom: 312 30T-HB B 3.917 ambi=1 { CB:70.143 } ::sumAvg: 4.835 atom: 312 30T-HB B 3.917 ambi=1 { CB:70.143 } atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } ::sumAvg: 4.835 atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } atom: 313 30T-HG2 G2 1.145 ambi=1 { CG2:21.13 } ::sumAvg: 4.27 atom: 313 30T-HG2 G2 1.145 ambi=1 { CG2:21.13 } atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } ::sumAvg: 4.27 atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } ::sumAvg: 4.925 atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } ::sumAvg: 4.925 atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } ::sumAvg: 4.97 atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } ::sumAvg: 4.97 atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } ::sumAvg: 4.8 atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } atom: 598 56H-HB2 B 3.239 ambi=2 { CB:37.218 } :: atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } atom: 599 56H-HB3 B 2.67 ambi=2 { CB:37.218 } ::sumAvg: 4.585 atom: 598 56H-HB2 B 3.239 ambi=2 { CB:37.218 } atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } :: atom: 599 56H-HB3 B 2.67 ambi=2 { CB:37.218 } atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } ::sumAvg: 4.585 atom: 304 29D-HB2 B 1.969 ambi=2 { CB:47.234 } atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } :: atom: 305 29D-HB3 B 1.723 ambi=2 { CB:47.234 } atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } ::sumAvg: 4.425 atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } atom: 304 29D-HB2 B 1.969 ambi=2 { CB:47.234 } :: atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } atom: 305 29D-HB3 B 1.723 ambi=2 { CB:47.234 } ::sumAvg: 4.425 atom: 304 29D-HB2 B 1.969 ambi=2 { CB:47.234 } atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } :: atom: 305 29D-HB3 B 1.723 ambi=2 { CB:47.234 } atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } ::sumAvg: 4.07 atom: 304 29D-HB2 B 1.969 ambi=2 { CB:47.234 } atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } :: atom: 305 29D-HB3 B 1.723 ambi=2 { CB:47.234 } atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } ::sumAvg: 4.27 atom: 598 56H-HB2 B 3.239 ambi=2 { CB:37.218 } atom: 304 29D-HB2 B 1.969 ambi=2 { CB:47.234 } :: atom: 599 56H-HB3 B 2.67 ambi=2 { CB:37.218 } atom: 304 29D-HB2 B 1.969 ambi=2 { CB:47.234 } :: atom: 598 56H-HB2 B 3.239 ambi=2 { CB:37.218 } atom: 305 29D-HB3 B 1.723 ambi=2 { CB:47.234 } :: atom: 599 56H-HB3 B 2.67 ambi=2 { CB:37.218 } atom: 305 29D-HB3 B 1.723 ambi=2 { CB:47.234 } ::sumAvg: 2.935 atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } atom: 310 30T-H N 8.189 ambi=1 { N:115.249 } ::sumAvg: 2.94 atom: 320 31Y-HA A 5.153 ambi=1 { CA:55.813 } atom: 310 30T-H N 8.189 ambi=1 { N:115.249 } ::sumAvg: 4.845 atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } atom: 310 30T-H N 8.189 ambi=1 { N:115.249 } ::sumAvg: 4.47 atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } atom: 310 30T-H N 8.189 ambi=1 { N:115.249 } ::sumAvg: 4.45 atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } atom: 310 30T-H N 8.189 ambi=1 { N:115.249 } ::sumAvg: 4.73 atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } atom: 310 30T-H N 8.189 ambi=1 { N:115.249 } ::sumAvg: 4.885 atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } atom: 312 30T-HB B 3.917 ambi=1 { CB:70.143 } ::sumAvg: 2.635 atom: 312 30T-HB B 3.917 ambi=1 { CB:70.143 } atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } ::sumAvg: 2.635 atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } atom: 313 30T-HG2 G2 1.145 ambi=1 { CG2:21.13 } ::sumAvg: 2.655 atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } ::sumAvg: 2.2 atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } :: atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } ::sumAvg: 4.705 atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } ::sumAvg: 3.975 atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } ::sumAvg: 4.825 atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } ::sumAvg: 4.825 atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } atom: 334 32T-HG2 G2 1.179 ambi=1 { CG2:22.032 } ::sumAvg: 4.78 atom: 334 32T-HG2 G2 1.179 ambi=1 { CG2:22.032 } atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } ::sumAvg: 4.78 atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } ::sumAvg: 4.47 atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } ::sumAvg: 4.47 atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } ::sumAvg: 2.37 atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } atom: 588 55F-HB2 B 3.256 ambi=2 { CB:41.641 } :: atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } atom: 589 55F-HB3 B 3.159 ambi=2 { CB:41.641 } ::sumAvg: 4.215 atom: 588 55F-HB2 B 3.256 ambi=2 { CB:41.641 } atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } :: atom: 589 55F-HB3 B 3.159 ambi=2 { CB:41.641 } atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } ::sumAvg: 4.215 atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } ::sumAvg: 2.83 atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } ::sumAvg: 2.83 atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } ::sumAvg: 4.68 atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } ::sumAvg: 4.68 atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } ::sumAvg: 3.02 atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } atom: 598 56H-HB2 B 3.239 ambi=2 { CB:37.218 } :: atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } atom: 599 56H-HB3 B 2.67 ambi=2 { CB:37.218 } ::sumAvg: 4.72 atom: 598 56H-HB2 B 3.239 ambi=2 { CB:37.218 } atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } :: atom: 599 56H-HB3 B 2.67 ambi=2 { CB:37.218 } atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } ::sumAvg: 4.72 atom: 312 30T-HB B 3.917 ambi=1 { CB:70.143 } atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } ::sumAvg: 3.985 atom: 334 32T-HG2 G2 1.179 ambi=1 { CG2:22.032 } atom: 312 30T-HB B 3.917 ambi=1 { CB:70.143 } ::sumAvg: 4.145 atom: 312 30T-HB B 3.917 ambi=1 { CB:70.143 } atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } ::sumAvg: 4.135 atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } atom: 312 30T-HB B 3.917 ambi=1 { CB:70.143 } ::sumAvg: 4.135 atom: 312 30T-HB B 3.917 ambi=1 { CB:70.143 } atom: 588 55F-HB2 B 3.256 ambi=2 { CB:41.641 } :: atom: 312 30T-HB B 3.917 ambi=1 { CB:70.143 } atom: 589 55F-HB3 B 3.159 ambi=2 { CB:41.641 } ::sumAvg: 4.875 atom: 588 55F-HB2 B 3.256 ambi=2 { CB:41.641 } atom: 312 30T-HB B 3.917 ambi=1 { CB:70.143 } :: atom: 589 55F-HB3 B 3.159 ambi=2 { CB:41.641 } atom: 312 30T-HB B 3.917 ambi=1 { CB:70.143 } ::sumAvg: 4.875 atom: 312 30T-HB B 3.917 ambi=1 { CB:70.143 } atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } ::sumAvg: 3.3 atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } atom: 312 30T-HB B 3.917 ambi=1 { CB:70.143 } ::sumAvg: 3.3 atom: 312 30T-HB B 3.917 ambi=1 { CB:70.143 } atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } ::sumAvg: 4.75 atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } atom: 312 30T-HB B 3.917 ambi=1 { CB:70.143 } ::sumAvg: 4.75 atom: 313 30T-HG2 G2 1.145 ambi=1 { CG2:21.13 } atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } ::sumAvg: 4.91 atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } atom: 313 30T-HG2 G2 1.145 ambi=1 { CG2:21.13 } ::sumAvg: 4.91 atom: 313 30T-HG2 G2 1.145 ambi=1 { CG2:21.13 } atom: 331 32T-H N 9.143 ambi=1 { N:111.101 } ::sumAvg: 4.7 atom: 588 55F-HB2 B 3.256 ambi=2 { CB:41.641 } atom: 313 30T-HG2 G2 1.145 ambi=1 { CG2:21.13 } :: atom: 589 55F-HB3 B 3.159 ambi=2 { CB:41.641 } atom: 313 30T-HG2 G2 1.145 ambi=1 { CG2:21.13 } ::sumAvg: 3.955 atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } atom: 313 30T-HG2 G2 1.145 ambi=1 { CG2:21.13 } ::sumAvg: 2.82 atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } atom: 313 30T-HG2 G2 1.145 ambi=1 { CG2:21.13 } ::sumAvg: 3.875 atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } ::sumAvg: 4.72 atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } ::sumAvg: 4.985 atom: 334 32T-HG2 G2 1.179 ambi=1 { CG2:22.032 } atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } ::sumAvg: 3.93 atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } ::sumAvg: 4.415 atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } ::sumAvg: 3.95 atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } ::sumAvg: 3.34 atom: 588 55F-HB2 B 3.256 ambi=2 { CB:41.641 } atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } :: atom: 589 55F-HB3 B 3.159 ambi=2 { CB:41.641 } atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } ::sumAvg: 4.885 atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } ::sumAvg: 4.6 atom: 320 31Y-HA A 5.153 ambi=1 { CA:55.813 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } ::sumAvg: 4.52 atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } atom: 320 31Y-HA A 5.153 ambi=1 { CA:55.813 } ::sumAvg: 4.52 atom: 320 31Y-HA A 5.153 ambi=1 { CA:55.813 } atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } ::sumAvg: 4.405 atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } atom: 320 31Y-HA A 5.153 ambi=1 { CA:55.813 } ::sumAvg: 4.405 atom: 334 32T-HG2 G2 1.179 ambi=1 { CG2:22.032 } atom: 320 31Y-HA A 5.153 ambi=1 { CA:55.813 } ::sumAvg: 3.675 atom: 320 31Y-HA A 5.153 ambi=1 { CA:55.813 } atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } ::sumAvg: 4.395 atom: 320 31Y-HA A 5.153 ambi=1 { CA:55.813 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 320 31Y-HA A 5.153 ambi=1 { CA:55.813 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 4.165 atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 320 31Y-HA A 5.153 ambi=1 { CA:55.813 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 320 31Y-HA A 5.153 ambi=1 { CA:55.813 } ::sumAvg: 4.165 atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } :: atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } ::sumAvg: 4.42 atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } :: atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } ::sumAvg: 4.665 atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } :: atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } ::sumAvg: 4.665 atom: 334 32T-HG2 G2 1.179 ambi=1 { CG2:22.032 } atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } :: atom: 334 32T-HG2 G2 1.179 ambi=1 { CG2:22.032 } atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } ::sumAvg: 4.905 atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } atom: 340 33K-H N 8.351 ambi=1 { N:122.475 } :: atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } atom: 340 33K-H N 8.351 ambi=1 { N:122.475 } ::sumAvg: 3.475 atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } :: atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } ::sumAvg: 3.84 atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } :: atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } ::sumAvg: 3.57 atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } :: atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } ::sumAvg: 3.57 atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } :: atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } ::sumAvg: 4.81 atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } :: atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } :: atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } :: atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } ::sumAvg: 4.915 atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } ::sumAvg: 4.605 atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } :: atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } ::sumAvg: 4.36 atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } :: atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } ::sumAvg: 4.36 atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } :: atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } ::sumAvg: 4.93 atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } :: atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } ::sumAvg: 4.93 atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } atom: 572 54I-H N 8.783 ambi=1 { N:119.458 } :: atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } atom: 572 54I-H N 8.783 ambi=1 { N:119.458 } ::sumAvg: 3.65 atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } :: atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } :: atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } :: atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } ::sumAvg: 4.48 atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } :: atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } :: atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } :: atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } ::sumAvg: 4.48 atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } :: atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } ::sumAvg: 3.845 atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } :: atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } ::sumAvg: 3.42 atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } atom: 331 32T-H N 9.143 ambi=1 { N:111.101 } ::sumAvg: 4.235 atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } atom: 340 33K-H N 8.351 ambi=1 { N:122.475 } ::sumAvg: 4.79 atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } ::sumAvg: 4.43 atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } atom: 366 35D-H N 7.714 ambi=1 { N:125.352 } ::sumAvg: 4.045 atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } atom: 368 35D-HB2 B 2.535 ambi=2 { CB:46.385 } :: atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } atom: 369 35D-HB3 B 2.194 ambi=2 { CB:46.385 } ::sumAvg: 4.7 atom: 368 35D-HB2 B 2.535 ambi=2 { CB:46.385 } atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } :: atom: 369 35D-HB3 B 2.194 ambi=2 { CB:46.385 } atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } ::sumAvg: 4.7 atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } atom: 374 36D-H N 9.09 ambi=1 { N:128.363 } ::sumAvg: 4.66 atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } atom: 377 36D-QB B 2.685 ambi=2 { CB:40.63 } ::sumAvg: 4.51 atom: 377 36D-QB B 2.685 ambi=2 { CB:40.63 } atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } ::sumAvg: 4.51 atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } atom: 390 38Q-H N 7.631 ambi=1 { N:121.85 } ::sumAvg: 4.875 atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } :: atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } ::sumAvg: 3.98 atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } ::sumAvg: 3.395 atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 3.125 atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } ::sumAvg: 3.125 atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } atom: 572 54I-H N 8.783 ambi=1 { N:119.458 } ::sumAvg: 4.775 atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } :: atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } ::sumAvg: 4.925 atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } ::sumAvg: 3.355 atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } ::sumAvg: 4.84 atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } ::sumAvg: 4.84 atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } ::sumAvg: 4.57 atom: 598 56H-HB2 B 3.239 ambi=2 { CB:37.218 } atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } :: atom: 599 56H-HB3 B 2.67 ambi=2 { CB:37.218 } atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } ::sumAvg: 4.575 atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } ::sumAvg: 4.455 atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } ::sumAvg: 4.455 atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } atom: 374 36D-H N 9.09 ambi=1 { N:128.363 } ::sumAvg: 4.445 atom: 377 36D-QB B 2.685 ambi=2 { CB:40.63 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } ::sumAvg: 3.855 atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } atom: 382 37S-H N 8.95 ambi=1 { N:114.863 } ::sumAvg: 4.77 atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } atom: 390 38Q-H N 7.631 ambi=1 { N:121.85 } ::sumAvg: 3.845 atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } ::sumAvg: 4.39 atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } ::sumAvg: 4.39 atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } :: atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } ::sumAvg: 3.615 atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } :: atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } ::sumAvg: 3.615 atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } atom: 396 38Q-HE21 E2 7.284 ambi=1 { NE2:112.222 } :: atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } ::sumAvg: 4.47 atom: 408 39P-HD2 D 3.895 ambi=2 { CD:50.001 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } :: atom: 409 39P-HD3 D 2.667 ambi=2 { CD:50.001 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } ::sumAvg: 4.685 atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } :: atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } ::sumAvg: 4.98 atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 4.79 atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } ::sumAvg: 4.79 atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } ::sumAvg: 4.795 atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } ::sumAvg: 4.795 atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } ::sumAvg: 4.675 atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } ::sumAvg: 4.675 atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } ::sumAvg: 4.455 atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } atom: 331 32T-H N 9.143 ambi=1 { N:111.101 } ::sumAvg: 2.955 atom: 333 32T-HB B 4.46 ambi=1 { CB:71.109 } atom: 331 32T-H N 9.143 ambi=1 { N:111.101 } ::sumAvg: 3.62 atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } atom: 331 32T-H N 9.143 ambi=1 { N:111.101 } ::sumAvg: 4.75 atom: 342 33K-HB2 B 1.657 ambi=2 { CB:35.335 } atom: 331 32T-H N 9.143 ambi=1 { N:111.101 } :: atom: 343 33K-HB3 B 1.337 ambi=2 { CB:35.335 } atom: 331 32T-H N 9.143 ambi=1 { N:111.101 } ::sumAvg: 4.555 atom: 344 33K-HG2 G 1.514 ambi=2 { CG:23.313 } atom: 331 32T-H N 9.143 ambi=1 { N:111.101 } ::sumAvg: 4.62 atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 331 32T-H N 9.143 ambi=1 { N:111.101 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 331 32T-H N 9.143 ambi=1 { N:111.101 } ::sumAvg: 4.305 atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } atom: 334 32T-HG2 G2 1.179 ambi=1 { CG2:22.032 } ::sumAvg: 2.665 atom: 334 32T-HG2 G2 1.179 ambi=1 { CG2:22.032 } atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } ::sumAvg: 2.665 atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } atom: 340 33K-H N 8.351 ambi=1 { N:122.475 } ::sumAvg: 2.95 atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } atom: 342 33K-HB2 B 1.657 ambi=2 { CB:35.335 } :: atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } atom: 343 33K-HB3 B 1.337 ambi=2 { CB:35.335 } ::sumAvg: 4.785 atom: 342 33K-HB2 B 1.657 ambi=2 { CB:35.335 } atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } :: atom: 343 33K-HB3 B 1.337 ambi=2 { CB:35.335 } atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } ::sumAvg: 4.785 atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 3.57 atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } ::sumAvg: 3.57 atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } atom: 566 53S-HB2 B 3.881 ambi=2 { CB:64.653 } :: atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } atom: 567 53S-HB3 B 3.767 ambi=2 { CB:64.653 } ::sumAvg: 3.075 atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } atom: 572 54I-H N 8.783 ambi=1 { N:119.458 } ::sumAvg: 3.875 atom: 333 32T-HB B 4.46 ambi=1 { CB:71.109 } atom: 334 32T-HG2 G2 1.179 ambi=1 { CG2:22.032 } ::sumAvg: 2.13 atom: 333 32T-HB B 4.46 ambi=1 { CB:71.109 } atom: 340 33K-H N 8.351 ambi=1 { N:122.475 } ::sumAvg: 4.29 atom: 333 32T-HB B 4.46 ambi=1 { CB:71.109 } atom: 342 33K-HB2 B 1.657 ambi=2 { CB:35.335 } :: atom: 333 32T-HB B 4.46 ambi=1 { CB:71.109 } atom: 343 33K-HB3 B 1.337 ambi=2 { CB:35.335 } ::sumAvg: 4.95 atom: 342 33K-HB2 B 1.657 ambi=2 { CB:35.335 } atom: 333 32T-HB B 4.46 ambi=1 { CB:71.109 } :: atom: 343 33K-HB3 B 1.337 ambi=2 { CB:35.335 } atom: 333 32T-HB B 4.46 ambi=1 { CB:71.109 } ::sumAvg: 4.95 atom: 333 32T-HB B 4.46 ambi=1 { CB:71.109 } atom: 566 53S-HB2 B 3.881 ambi=2 { CB:64.653 } :: atom: 333 32T-HB B 4.46 ambi=1 { CB:71.109 } atom: 567 53S-HB3 B 3.767 ambi=2 { CB:64.653 } ::sumAvg: 4.115 atom: 566 53S-HB2 B 3.881 ambi=2 { CB:64.653 } atom: 333 32T-HB B 4.46 ambi=1 { CB:71.109 } :: atom: 567 53S-HB3 B 3.767 ambi=2 { CB:64.653 } atom: 333 32T-HB B 4.46 ambi=1 { CB:71.109 } ::sumAvg: 4.115 atom: 334 32T-HG2 G2 1.179 ambi=1 { CG2:22.032 } atom: 342 33K-HB2 B 1.657 ambi=2 { CB:35.335 } ::sumAvg: 4.675 atom: 342 33K-HB2 B 1.657 ambi=2 { CB:35.335 } atom: 334 32T-HG2 G2 1.179 ambi=1 { CG2:22.032 } ::sumAvg: 4.675 atom: 334 32T-HG2 G2 1.179 ambi=1 { CG2:22.032 } atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } ::sumAvg: 4.56 atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 334 32T-HG2 G2 1.179 ambi=1 { CG2:22.032 } ::sumAvg: 4.56 atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } atom: 340 33K-H N 8.351 ambi=1 { N:122.475 } ::sumAvg: 2.605 atom: 342 33K-HB2 B 1.657 ambi=2 { CB:35.335 } atom: 340 33K-H N 8.351 ambi=1 { N:122.475 } :: atom: 343 33K-HB3 B 1.337 ambi=2 { CB:35.335 } atom: 340 33K-H N 8.351 ambi=1 { N:122.475 } ::sumAvg: 3.225 atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } atom: 340 33K-H N 8.351 ambi=1 { N:122.475 } ::sumAvg: 4.43 atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 340 33K-H N 8.351 ambi=1 { N:122.475 } :: atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 340 33K-H N 8.351 ambi=1 { N:122.475 } ::sumAvg: 4.38 atom: 481 46L-HB2 B 1.838 ambi=2 { CB:41.967 } atom: 340 33K-H N 8.351 ambi=1 { N:122.475 } :: atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } atom: 340 33K-H N 8.351 ambi=1 { N:122.475 } ::sumAvg: 4.74 atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } atom: 342 33K-HB2 B 1.657 ambi=2 { CB:35.335 } :: atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } atom: 343 33K-HB3 B 1.337 ambi=2 { CB:35.335 } ::sumAvg: 2.39 atom: 342 33K-HB2 B 1.657 ambi=2 { CB:35.335 } atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } :: atom: 343 33K-HB3 B 1.337 ambi=2 { CB:35.335 } atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } ::sumAvg: 2.39 atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } atom: 344 33K-HG2 G 1.514 ambi=2 { CG:23.313 } ::sumAvg: 3 atom: 344 33K-HG2 G 1.514 ambi=2 { CG:23.313 } atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } ::sumAvg: 3 atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } atom: 345 33K-HD2 D 1.677 ambi=2 { CD:29.126 } :: atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } atom: 346 33K-HD3 D 1.775 ambi=2 { CD:29.126 } ::sumAvg: 3.97 atom: 345 33K-HD2 D 1.677 ambi=2 { CD:29.126 } atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } :: atom: 346 33K-HD3 D 1.775 ambi=2 { CD:29.126 } atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } ::sumAvg: 3.97 atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } atom: 347 33K-HE2 E 2.966 ambi=2 { CE:42.253 } ::sumAvg: 4.315 atom: 347 33K-HE2 E 2.966 ambi=2 { CE:42.253 } atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } ::sumAvg: 4.315 atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } ::sumAvg: 2.695 atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } ::sumAvg: 4.635 atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } ::sumAvg: 4.635 atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } atom: 357 34V-HB B 1.799 ambi=1 { CB:31.891 } ::sumAvg: 4.605 atom: 357 34V-HB B 1.799 ambi=1 { CB:31.891 } atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } ::sumAvg: 4.605 atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } ::sumAvg: 3.33 atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } :: atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } ::sumAvg: 3.33 atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } atom: 481 46L-HB2 B 1.838 ambi=2 { CB:41.967 } :: atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } ::sumAvg: 3.785 atom: 481 46L-HB2 B 1.838 ambi=2 { CB:41.967 } atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } :: atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } ::sumAvg: 3.785 atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 3.725 atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 341 33K-HA A 4.717 ambi=1 { CA:54.424 } ::sumAvg: 3.725 atom: 343 33K-HB3 B 1.337 ambi=2 { CB:35.335 } atom: 346 33K-HD3 D 1.775 ambi=2 { CD:29.126 } ::sumAvg: 2.36 atom: 346 33K-HD3 D 1.775 ambi=2 { CD:29.126 } atom: 343 33K-HB3 B 1.337 ambi=2 { CB:35.335 } ::sumAvg: 2.36 atom: 342 33K-HB2 B 1.657 ambi=2 { CB:35.335 } atom: 347 33K-HE2 E 2.966 ambi=2 { CE:42.253 } :: atom: 343 33K-HB3 B 1.337 ambi=2 { CB:35.335 } atom: 347 33K-HE2 E 2.966 ambi=2 { CE:42.253 } ::sumAvg: 3.33 atom: 342 33K-HB2 B 1.657 ambi=2 { CB:35.335 } atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } :: atom: 343 33K-HB3 B 1.337 ambi=2 { CB:35.335 } atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } ::sumAvg: 3.11 atom: 343 33K-HB3 B 1.337 ambi=2 { CB:35.335 } atom: 357 34V-HB B 1.799 ambi=1 { CB:31.891 } ::sumAvg: 4.91 atom: 357 34V-HB B 1.799 ambi=1 { CB:31.891 } atom: 343 33K-HB3 B 1.337 ambi=2 { CB:35.335 } ::sumAvg: 4.91 atom: 342 33K-HB2 B 1.657 ambi=2 { CB:35.335 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 342 33K-HB2 B 1.657 ambi=2 { CB:35.335 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } :: atom: 343 33K-HB3 B 1.337 ambi=2 { CB:35.335 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 343 33K-HB3 B 1.337 ambi=2 { CB:35.335 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } ::sumAvg: 4.45 atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 342 33K-HB2 B 1.657 ambi=2 { CB:35.335 } :: atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 342 33K-HB2 B 1.657 ambi=2 { CB:35.335 } :: atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 343 33K-HB3 B 1.337 ambi=2 { CB:35.335 } :: atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 343 33K-HB3 B 1.337 ambi=2 { CB:35.335 } ::sumAvg: 4.45 atom: 347 33K-HE2 E 2.966 ambi=2 { CE:42.253 } atom: 344 33K-HG2 G 1.514 ambi=2 { CG:23.313 } ::sumAvg: 2.38 atom: 344 33K-HG2 G 1.514 ambi=2 { CG:23.313 } atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } ::sumAvg: 3.455 atom: 344 33K-HG2 G 1.514 ambi=2 { CG:23.313 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 344 33K-HG2 G 1.514 ambi=2 { CG:23.313 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } ::sumAvg: 4.435 atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 344 33K-HG2 G 1.514 ambi=2 { CG:23.313 } :: atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 344 33K-HG2 G 1.514 ambi=2 { CG:23.313 } ::sumAvg: 4.435 atom: 347 33K-HE2 E 2.966 ambi=2 { CE:42.253 } atom: 345 33K-HD2 D 1.677 ambi=2 { CD:29.126 } :: atom: 347 33K-HE2 E 2.966 ambi=2 { CE:42.253 } atom: 346 33K-HD3 D 1.775 ambi=2 { CD:29.126 } ::sumAvg: 2.355 atom: 345 33K-HD2 D 1.677 ambi=2 { CD:29.126 } atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } :: atom: 346 33K-HD3 D 1.775 ambi=2 { CD:29.126 } atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } ::sumAvg: 4.99 atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } ::sumAvg: 2.575 atom: 368 35D-HB2 B 2.535 ambi=2 { CB:46.385 } atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } :: atom: 369 35D-HB3 B 2.194 ambi=2 { CB:46.385 } atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } ::sumAvg: 4.68 atom: 481 46L-HB2 B 1.838 ambi=2 { CB:41.967 } atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } :: atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } ::sumAvg: 4.305 atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } atom: 367 35D-HA A 4.705 ambi=1 { CA:54.31 } ::sumAvg: 4.51 atom: 367 35D-HA A 4.705 ambi=1 { CA:54.31 } atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } ::sumAvg: 4.51 atom: 368 35D-HB2 B 2.535 ambi=2 { CB:46.385 } atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } :: atom: 369 35D-HB3 B 2.194 ambi=2 { CB:46.385 } atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } ::sumAvg: 4.575 atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } ::sumAvg: 4 atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } ::sumAvg: 4 atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } ::sumAvg: 4.665 atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } ::sumAvg: 4.665 atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } ::sumAvg: 4.14 atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } ::sumAvg: 4.14 atom: 481 46L-HB2 B 1.838 ambi=2 { CB:41.967 } atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } :: atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } ::sumAvg: 4.3 atom: 357 34V-HB B 1.799 ambi=1 { CB:31.891 } atom: 367 35D-HA A 4.705 ambi=1 { CA:54.31 } ::sumAvg: 4.795 atom: 367 35D-HA A 4.705 ambi=1 { CA:54.31 } atom: 357 34V-HB B 1.799 ambi=1 { CB:31.891 } ::sumAvg: 4.795 atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 357 34V-HB B 1.799 ambi=1 { CB:31.891 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 357 34V-HB B 1.799 ambi=1 { CB:31.891 } ::sumAvg: 4.955 atom: 357 34V-HB B 1.799 ambi=1 { CB:31.891 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 357 34V-HB B 1.799 ambi=1 { CB:31.891 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 4.34 atom: 357 34V-HB B 1.799 ambi=1 { CB:31.891 } atom: 501 47K-HE2 E 2.803 ambi=2 { CE:42.29 } :: atom: 357 34V-HB B 1.799 ambi=1 { CB:31.891 } atom: 502 47K-HE3 E 2.792 ambi=2 { CE:42.29 } ::sumAvg: 4.61 atom: 501 47K-HE2 E 2.803 ambi=2 { CE:42.29 } atom: 357 34V-HB B 1.799 ambi=1 { CB:31.891 } :: atom: 502 47K-HE3 E 2.792 ambi=2 { CE:42.29 } atom: 357 34V-HB B 1.799 ambi=1 { CB:31.891 } ::sumAvg: 4.61 atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 367 35D-HA A 4.705 ambi=1 { CA:54.31 } :: atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 367 35D-HA A 4.705 ambi=1 { CA:54.31 } ::sumAvg: 3.705 atom: 367 35D-HA A 4.705 ambi=1 { CA:54.31 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 367 35D-HA A 4.705 ambi=1 { CA:54.31 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } ::sumAvg: 3.705 atom: 368 35D-HB2 B 2.535 ambi=2 { CB:46.385 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 369 35D-HB3 B 2.194 ambi=2 { CB:46.385 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 368 35D-HB2 B 2.535 ambi=2 { CB:46.385 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } :: atom: 369 35D-HB3 B 2.194 ambi=2 { CB:46.385 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } ::sumAvg: 4.05 atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 390 38Q-H N 7.631 ambi=1 { N:121.85 } :: atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 390 38Q-H N 7.631 ambi=1 { N:121.85 } ::sumAvg: 4.975 atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } :: atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } :: atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } ::sumAvg: 4.73 atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } ::sumAvg: 4.73 atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } :: atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } ::sumAvg: 4.035 atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } ::sumAvg: 4.035 atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 396 38Q-HE21 E2 7.284 ambi=1 { NE2:112.222 } :: atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } :: atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 396 38Q-HE21 E2 7.284 ambi=1 { NE2:112.222 } :: atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } ::sumAvg: 3.415 atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 416 40A-HA A 3.972 ambi=1 { CA:56.013 } :: atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 416 40A-HA A 3.972 ambi=1 { CA:56.013 } ::sumAvg: 4.61 atom: 416 40A-HA A 3.972 ambi=1 { CA:56.013 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 416 40A-HA A 3.972 ambi=1 { CA:56.013 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } ::sumAvg: 4.61 atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } :: atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } ::sumAvg: 4.28 atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } :: atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } ::sumAvg: 4.48 atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } ::sumAvg: 2.575 atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 480 46L-HA A 3.833 ambi=1 { CA:57.08 } :: atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 480 46L-HA A 3.833 ambi=1 { CA:57.08 } ::sumAvg: 4.67 atom: 480 46L-HA A 3.833 ambi=1 { CA:57.08 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 480 46L-HA A 3.833 ambi=1 { CA:57.08 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } ::sumAvg: 4.67 atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } :: atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } ::sumAvg: 4.15 atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } ::sumAvg: 2.31 atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 494 47K-HA A 4.044 ambi=1 { CA:57.174 } :: atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 494 47K-HA A 4.044 ambi=1 { CA:57.174 } ::sumAvg: 4.42 atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } :: atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } ::sumAvg: 4.51 atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 497 47K-HG2 G 1.725 ambi=2 { CG:25.683 } :: atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 498 47K-HG3 G 1.357 ambi=2 { CG:25.683 } :: atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 497 47K-HG2 G 1.725 ambi=2 { CG:25.683 } :: atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 498 47K-HG3 G 1.357 ambi=2 { CG:25.683 } ::sumAvg: 3.62 atom: 497 47K-HG2 G 1.725 ambi=2 { CG:25.683 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 498 47K-HG3 G 1.357 ambi=2 { CG:25.683 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 497 47K-HG2 G 1.725 ambi=2 { CG:25.683 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } :: atom: 498 47K-HG3 G 1.357 ambi=2 { CG:25.683 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } ::sumAvg: 3.62 atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 499 47K-HD2 D 1.581 ambi=2 { CD:29.714 } :: atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } atom: 500 47K-HD3 D 1.709 ambi=2 { CD:29.714 } :: atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 499 47K-HD2 D 1.581 ambi=2 { CD:29.714 } :: atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } atom: 500 47K-HD3 D 1.709 ambi=2 { CD:29.714 } ::sumAvg: 3.415 atom: 367 35D-HA A 4.705 ambi=1 { CA:54.31 } atom: 366 35D-H N 7.714 ambi=1 { N:125.352 } ::sumAvg: 2.595 atom: 377 36D-QB B 2.685 ambi=2 { CB:40.63 } atom: 366 35D-H N 7.714 ambi=1 { N:125.352 } ::sumAvg: 4.56 atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } atom: 366 35D-H N 7.714 ambi=1 { N:125.352 } ::sumAvg: 4.04 atom: 367 35D-HA A 4.705 ambi=1 { CA:54.31 } atom: 368 35D-HB2 B 2.535 ambi=2 { CB:46.385 } :: atom: 367 35D-HA A 4.705 ambi=1 { CA:54.31 } atom: 369 35D-HB3 B 2.194 ambi=2 { CB:46.385 } ::sumAvg: 2.52 atom: 368 35D-HB2 B 2.535 ambi=2 { CB:46.385 } atom: 367 35D-HA A 4.705 ambi=1 { CA:54.31 } :: atom: 369 35D-HB3 B 2.194 ambi=2 { CB:46.385 } atom: 367 35D-HA A 4.705 ambi=1 { CA:54.31 } ::sumAvg: 2.52 atom: 367 35D-HA A 4.705 ambi=1 { CA:54.31 } atom: 374 36D-H N 9.09 ambi=1 { N:128.363 } ::sumAvg: 2.795 atom: 367 35D-HA A 4.705 ambi=1 { CA:54.31 } atom: 377 36D-QB B 2.685 ambi=2 { CB:40.63 } ::sumAvg: 4.295 atom: 377 36D-QB B 2.685 ambi=2 { CB:40.63 } atom: 367 35D-HA A 4.705 ambi=1 { CA:54.31 } ::sumAvg: 4.295 atom: 367 35D-HA A 4.705 ambi=1 { CA:54.31 } atom: 382 37S-H N 8.95 ambi=1 { N:114.863 } ::sumAvg: 4.545 atom: 367 35D-HA A 4.705 ambi=1 { CA:54.31 } atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } ::sumAvg: 4.78 atom: 368 35D-HB2 B 2.535 ambi=2 { CB:46.385 } atom: 374 36D-H N 9.09 ambi=1 { N:128.363 } :: atom: 369 35D-HB3 B 2.194 ambi=2 { CB:46.385 } atom: 374 36D-H N 9.09 ambi=1 { N:128.363 } ::sumAvg: 3.07 atom: 368 35D-HB2 B 2.535 ambi=2 { CB:46.385 } atom: 375 36D-HA A 4.341 ambi=1 { CA:57.092 } :: atom: 369 35D-HB3 B 2.194 ambi=2 { CB:46.385 } atom: 375 36D-HA A 4.341 ambi=1 { CA:57.092 } ::sumAvg: 4.4 atom: 369 35D-HB3 B 2.194 ambi=2 { CB:46.385 } atom: 377 36D-QB B 2.685 ambi=2 { CB:40.63 } ::sumAvg: 4.115 atom: 377 36D-QB B 2.685 ambi=2 { CB:40.63 } atom: 369 35D-HB3 B 2.194 ambi=2 { CB:46.385 } ::sumAvg: 4.115 atom: 368 35D-HB2 B 2.535 ambi=2 { CB:46.385 } atom: 382 37S-H N 8.95 ambi=1 { N:114.863 } :: atom: 369 35D-HB3 B 2.194 ambi=2 { CB:46.385 } atom: 382 37S-H N 8.95 ambi=1 { N:114.863 } ::sumAvg: 4.52 atom: 375 36D-HA A 4.341 ambi=1 { CA:57.092 } atom: 374 36D-H N 9.09 ambi=1 { N:128.363 } ::sumAvg: 2.575 atom: 377 36D-QB B 2.685 ambi=2 { CB:40.63 } atom: 374 36D-H N 9.09 ambi=1 { N:128.363 } ::sumAvg: 3.085 atom: 383 37S-HA A 4.37 ambi=1 { CA:59.738 } atom: 374 36D-H N 9.09 ambi=1 { N:128.363 } ::sumAvg: 4.63 atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } atom: 374 36D-H N 9.09 ambi=1 { N:128.363 } ::sumAvg: 4.705 atom: 377 36D-QB B 2.685 ambi=2 { CB:40.63 } atom: 375 36D-HA A 4.341 ambi=1 { CA:57.092 } ::sumAvg: 2.445 atom: 375 36D-HA A 4.341 ambi=1 { CA:57.092 } atom: 390 38Q-H N 7.631 ambi=1 { N:121.85 } ::sumAvg: 4.59 atom: 377 36D-QB B 2.685 ambi=2 { CB:40.63 } atom: 382 37S-H N 8.95 ambi=1 { N:114.863 } ::sumAvg: 2.9 atom: 377 36D-QB B 2.685 ambi=2 { CB:40.63 } atom: 383 37S-HA A 4.37 ambi=1 { CA:59.738 } ::sumAvg: 4.525 atom: 383 37S-HA A 4.37 ambi=1 { CA:59.738 } atom: 377 36D-QB B 2.685 ambi=2 { CB:40.63 } ::sumAvg: 4.525 atom: 377 36D-QB B 2.685 ambi=2 { CB:40.63 } atom: 384 37S-HB2 B 3.945 ambi=2 { CB:63.838 } :: atom: 377 36D-QB B 2.685 ambi=2 { CB:40.63 } atom: 385 37S-HB3 B 4.008 ambi=2 { CB:63.838 } ::sumAvg: 4.31 atom: 384 37S-HB2 B 3.945 ambi=2 { CB:63.838 } atom: 377 36D-QB B 2.685 ambi=2 { CB:40.63 } :: atom: 385 37S-HB3 B 4.008 ambi=2 { CB:63.838 } atom: 377 36D-QB B 2.685 ambi=2 { CB:40.63 } ::sumAvg: 4.31 atom: 377 36D-QB B 2.685 ambi=2 { CB:40.63 } atom: 390 38Q-H N 7.631 ambi=1 { N:121.85 } ::sumAvg: 4.09 atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } atom: 382 37S-H N 8.95 ambi=1 { N:114.863 } ::sumAvg: 4.765 atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } atom: 382 37S-H N 8.95 ambi=1 { N:114.863 } :: atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } atom: 382 37S-H N 8.95 ambi=1 { N:114.863 } ::sumAvg: 4.715 atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } atom: 382 37S-H N 8.95 ambi=1 { N:114.863 } ::sumAvg: 3.545 atom: 383 37S-HA A 4.37 ambi=1 { CA:59.738 } atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } ::sumAvg: 4.585 atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } atom: 383 37S-HA A 4.37 ambi=1 { CA:59.738 } ::sumAvg: 4.585 atom: 384 37S-HB2 B 3.945 ambi=2 { CB:63.838 } atom: 390 38Q-H N 7.631 ambi=1 { N:121.85 } :: atom: 385 37S-HB3 B 4.008 ambi=2 { CB:63.838 } atom: 390 38Q-H N 7.631 ambi=1 { N:121.85 } ::sumAvg: 3.65 atom: 384 37S-HB2 B 3.945 ambi=2 { CB:63.838 } atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } :: atom: 385 37S-HB3 B 4.008 ambi=2 { CB:63.838 } atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } ::sumAvg: 4.78 atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } atom: 384 37S-HB2 B 3.945 ambi=2 { CB:63.838 } :: atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } atom: 385 37S-HB3 B 4.008 ambi=2 { CB:63.838 } ::sumAvg: 4.78 atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } atom: 390 38Q-H N 7.631 ambi=1 { N:121.85 } ::sumAvg: 2.835 atom: 408 39P-HD2 D 3.895 ambi=2 { CD:50.001 } atom: 390 38Q-H N 7.631 ambi=1 { N:121.85 } :: atom: 409 39P-HD3 D 2.667 ambi=2 { CD:50.001 } atom: 390 38Q-H N 7.631 ambi=1 { N:121.85 } ::sumAvg: 4.8 atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } :: atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } ::sumAvg: 2.34 atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } :: atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } ::sumAvg: 2.34 atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } ::sumAvg: 2.935 atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } ::sumAvg: 2.935 atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } :: atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } ::sumAvg: 4.295 atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } :: atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } ::sumAvg: 4.295 atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } atom: 408 39P-HD2 D 3.895 ambi=2 { CD:50.001 } :: atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } atom: 409 39P-HD3 D 2.667 ambi=2 { CD:50.001 } ::sumAvg: 2.19 atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } ::sumAvg: 4.74 atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } ::sumAvg: 4.74 atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } ::sumAvg: 4.71 atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } ::sumAvg: 4.71 atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } :: atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } ::sumAvg: 4.955 atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } :: atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } ::sumAvg: 4.955 atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } :: atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } ::sumAvg: 4.275 atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } :: atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } ::sumAvg: 4.86 atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } ::sumAvg: 2.89 atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } :: atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } :: atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } :: atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } ::sumAvg: 3.535 atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } :: atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } ::sumAvg: 4.43 atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } :: atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } ::sumAvg: 4.43 atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } :: atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 4.455 atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } :: atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } ::sumAvg: 4.455 atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } atom: 408 39P-HD2 D 3.895 ambi=2 { CD:50.001 } ::sumAvg: 3.28 atom: 408 39P-HD2 D 3.895 ambi=2 { CD:50.001 } atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } ::sumAvg: 3.28 atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } ::sumAvg: 3.57 atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } ::sumAvg: 3.57 atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } :: atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } ::sumAvg: 4.735 atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } :: atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } ::sumAvg: 4.735 atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } ::sumAvg: 2.905 atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } ::sumAvg: 4.885 atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } ::sumAvg: 4.88 atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } ::sumAvg: 4.88 atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 3.535 atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } ::sumAvg: 3.535 atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } atom: 396 38Q-HE21 E2 7.284 ambi=1 { NE2:112.222 } ::sumAvg: 4.77 atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } atom: 396 38Q-HE21 E2 7.284 ambi=1 { NE2:112.222 } ::sumAvg: 4.89 atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } atom: 396 38Q-HE21 E2 7.284 ambi=1 { NE2:112.222 } ::sumAvg: 4.585 atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } atom: 404 39P-HB2 B 2.474 ambi=2 { CB:32.913 } :: atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } atom: 405 39P-HB3 B 1.134 ambi=2 { CB:32.913 } ::sumAvg: 2.265 atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } :: atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } ::sumAvg: 3.58 atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } :: atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } ::sumAvg: 3.58 atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } atom: 408 39P-HD2 D 3.895 ambi=2 { CD:50.001 } :: atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } atom: 409 39P-HD3 D 2.667 ambi=2 { CD:50.001 } ::sumAvg: 3.665 atom: 408 39P-HD2 D 3.895 ambi=2 { CD:50.001 } atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } :: atom: 409 39P-HD3 D 2.667 ambi=2 { CD:50.001 } atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } ::sumAvg: 3.665 atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } atom: 415 40A-H N 8.729 ambi=1 { N:127.083 } ::sumAvg: 2.2 atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } atom: 417 40A-HB B 1.426 ambi=1 { CB:17.68 } ::sumAvg: 4.065 atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } atom: 422 41F-H N 8.059 ambi=1 { N:112.471 } ::sumAvg: 3.945 atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } atom: 426 41F-QD D 7.092 ambi=3 { CD1:132.191 } ::sumAvg: 4.425 atom: 426 41F-QD D 7.092 ambi=3 { CD1:132.191 } atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } ::sumAvg: 4.425 atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } ::sumAvg: 4.435 atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } ::sumAvg: 4.72 atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } ::sumAvg: 4.72 atom: 404 39P-HB2 B 2.474 ambi=2 { CB:32.913 } atom: 417 40A-HB B 1.426 ambi=1 { CB:17.68 } ::sumAvg: 4.635 atom: 417 40A-HB B 1.426 ambi=1 { CB:17.68 } atom: 404 39P-HB2 B 2.474 ambi=2 { CB:32.913 } ::sumAvg: 4.635 atom: 404 39P-HB2 B 2.474 ambi=2 { CB:32.913 } atom: 422 41F-H N 8.059 ambi=1 { N:112.471 } :: atom: 405 39P-HB3 B 1.134 ambi=2 { CB:32.913 } atom: 422 41F-H N 8.059 ambi=1 { N:112.471 } ::sumAvg: 2.84 atom: 404 39P-HB2 B 2.474 ambi=2 { CB:32.913 } atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } :: atom: 405 39P-HB3 B 1.134 ambi=2 { CB:32.913 } atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } ::sumAvg: 4.875 atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } atom: 405 39P-HB3 B 1.134 ambi=2 { CB:32.913 } :: atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } atom: 405 39P-HB3 B 1.134 ambi=2 { CB:32.913 } ::sumAvg: 2.745 atom: 404 39P-HB2 B 2.474 ambi=2 { CB:32.913 } atom: 4262 41F-QE E 6.749 ambi=3 { CE1:128.727 } :: atom: 405 39P-HB3 B 1.134 ambi=2 { CB:32.913 } atom: 4262 41F-QE E 6.749 ambi=3 { CE1:128.727 } ::sumAvg: 3.785 atom: 4262 41F-QE E 6.749 ambi=3 { CE1:128.727 } atom: 404 39P-HB2 B 2.474 ambi=2 { CB:32.913 } :: atom: 4262 41F-QE E 6.749 ambi=3 { CE1:128.727 } atom: 405 39P-HB3 B 1.134 ambi=2 { CB:32.913 } ::sumAvg: 3.785 atom: 404 39P-HB2 B 2.474 ambi=2 { CB:32.913 } atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } :: atom: 405 39P-HB3 B 1.134 ambi=2 { CB:32.913 } atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } ::sumAvg: 4.95 atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } atom: 404 39P-HB2 B 2.474 ambi=2 { CB:32.913 } :: atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } atom: 405 39P-HB3 B 1.134 ambi=2 { CB:32.913 } ::sumAvg: 4.95 atom: 404 39P-HB2 B 2.474 ambi=2 { CB:32.913 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } :: atom: 404 39P-HB2 B 2.474 ambi=2 { CB:32.913 } atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } :: atom: 405 39P-HB3 B 1.134 ambi=2 { CB:32.913 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } ::sumAvg: 3.88 atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } atom: 422 41F-H N 8.059 ambi=1 { N:112.471 } :: atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } atom: 422 41F-H N 8.059 ambi=1 { N:112.471 } ::sumAvg: 4.99 atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } :: atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } :: atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } :: atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } ::sumAvg: 4.12 atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } atom: 426 41F-QD D 7.092 ambi=3 { CD1:132.191 } :: atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } atom: 426 41F-QD D 7.092 ambi=3 { CD1:132.191 } ::sumAvg: 4.07 atom: 426 41F-QD D 7.092 ambi=3 { CD1:132.191 } atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } :: atom: 426 41F-QD D 7.092 ambi=3 { CD1:132.191 } atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } ::sumAvg: 4.07 atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } :: atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } ::sumAvg: 3.585 atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } :: atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } ::sumAvg: 4.88 atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } :: atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } ::sumAvg: 4.88 atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } ::sumAvg: 3.18 atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } ::sumAvg: 3.18 atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } :: atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } :: atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } :: atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } ::sumAvg: 2.36 atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } :: atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } ::sumAvg: 3.865 atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } :: atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } :: atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } :: atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } ::sumAvg: 4.085 atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } :: atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } ::sumAvg: 4.57 atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } :: atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } ::sumAvg: 4.57 atom: 408 39P-HD2 D 3.895 ambi=2 { CD:50.001 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } :: atom: 409 39P-HD3 D 2.667 ambi=2 { CD:50.001 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } ::sumAvg: 4.08 atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } atom: 408 39P-HD2 D 3.895 ambi=2 { CD:50.001 } :: atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } atom: 408 39P-HD2 D 3.895 ambi=2 { CD:50.001 } :: atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } atom: 409 39P-HD3 D 2.667 ambi=2 { CD:50.001 } :: atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } atom: 409 39P-HD3 D 2.667 ambi=2 { CD:50.001 } ::sumAvg: 2.4 atom: 426 41F-QD D 7.092 ambi=3 { CD1:132.191 } atom: 415 40A-H N 8.729 ambi=1 { N:127.083 } ::sumAvg: 4.46 atom: 4262 41F-QE E 6.749 ambi=3 { CE1:128.727 } atom: 415 40A-H N 8.729 ambi=1 { N:127.083 } ::sumAvg: 4.82 atom: 416 40A-HA A 3.972 ambi=1 { CA:56.013 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } ::sumAvg: 4.185 atom: 416 40A-HA A 3.972 ambi=1 { CA:56.013 } atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } ::sumAvg: 4.975 atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } atom: 416 40A-HA A 3.972 ambi=1 { CA:56.013 } ::sumAvg: 4.975 atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 416 40A-HA A 3.972 ambi=1 { CA:56.013 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 416 40A-HA A 3.972 ambi=1 { CA:56.013 } ::sumAvg: 3.23 atom: 416 40A-HA A 3.972 ambi=1 { CA:56.013 } atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } ::sumAvg: 4.925 atom: 417 40A-HB B 1.426 ambi=1 { CB:17.68 } atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } ::sumAvg: 3.78 atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } atom: 417 40A-HB B 1.426 ambi=1 { CB:17.68 } ::sumAvg: 3.78 atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } atom: 417 40A-HB B 1.426 ambi=1 { CB:17.68 } :: atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } atom: 417 40A-HB B 1.426 ambi=1 { CB:17.68 } ::sumAvg: 4.9 atom: 426 41F-QD D 7.092 ambi=3 { CD1:132.191 } atom: 417 40A-HB B 1.426 ambi=1 { CB:17.68 } ::sumAvg: 3.66 atom: 417 40A-HB B 1.426 ambi=1 { CB:17.68 } atom: 4262 41F-QE E 6.749 ambi=3 { CE1:128.727 } ::sumAvg: 3.825 atom: 4262 41F-QE E 6.749 ambi=3 { CE1:128.727 } atom: 417 40A-HB B 1.426 ambi=1 { CB:17.68 } ::sumAvg: 3.825 atom: 4626 41F-HZ Z 7.108 ambi=1 { CZ:131.398 } atom: 417 40A-HB B 1.426 ambi=1 { CB:17.68 } ::sumAvg: 4.6 atom: 417 40A-HB B 1.426 ambi=1 { CB:17.68 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } ::sumAvg: 4.49 atom: 417 40A-HB B 1.426 ambi=1 { CB:17.68 } atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } :: atom: 417 40A-HB B 1.426 ambi=1 { CB:17.68 } atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } ::sumAvg: 3.82 atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 417 40A-HB B 1.426 ambi=1 { CB:17.68 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 417 40A-HB B 1.426 ambi=1 { CB:17.68 } ::sumAvg: 3.82 atom: 417 40A-HB B 1.426 ambi=1 { CB:17.68 } atom: 451 43N-HD22 D2 6.898 ambi=1 { ND2:114.02 } ::sumAvg: 4.77 atom: 417 40A-HB B 1.426 ambi=1 { CB:17.68 } atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } ::sumAvg: 4.955 atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } atom: 422 41F-H N 8.059 ambi=1 { N:112.471 } ::sumAvg: 2.77 atom: 4262 41F-QE E 6.749 ambi=3 { CE1:128.727 } atom: 422 41F-H N 8.059 ambi=1 { N:112.471 } ::sumAvg: 3.925 atom: 4626 41F-HZ Z 7.108 ambi=1 { CZ:131.398 } atom: 422 41F-H N 8.059 ambi=1 { N:112.471 } ::sumAvg: 4.93 atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } atom: 422 41F-H N 8.059 ambi=1 { N:112.471 } ::sumAvg: 4.73 atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 422 41F-H N 8.059 ambi=1 { N:112.471 } :: atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 422 41F-H N 8.059 ambi=1 { N:112.471 } ::sumAvg: 4.215 atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } :: atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } ::sumAvg: 2.36 atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } atom: 426 41F-QD D 7.092 ambi=3 { CD1:132.191 } ::sumAvg: 2.37 atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } atom: 4262 41F-QE E 6.749 ambi=3 { CE1:128.727 } ::sumAvg: 4.56 atom: 4262 41F-QE E 6.749 ambi=3 { CE1:128.727 } atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } ::sumAvg: 4.56 atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } ::sumAvg: 3.54 atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } ::sumAvg: 4.78 atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } ::sumAvg: 4.78 atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } ::sumAvg: 4.025 atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } ::sumAvg: 4.76 atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } ::sumAvg: 3.57 atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } atom: 459 44D-HB2 B 2.5 ambi=2 { CB:40.67 } :: atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } atom: 460 44D-HB3 B 2.567 ambi=2 { CB:40.67 } ::sumAvg: 3.635 atom: 459 44D-HB2 B 2.5 ambi=2 { CB:40.67 } atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } :: atom: 460 44D-HB3 B 2.567 ambi=2 { CB:40.67 } atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } ::sumAvg: 3.635 atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } atom: 867 81V-HA A 3.604 ambi=1 { CA:65.286 } ::sumAvg: 4.3 atom: 867 81V-HA A 3.604 ambi=1 { CA:65.286 } atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } ::sumAvg: 4.3 atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } :: atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } ::sumAvg: 3.405 atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } :: atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } ::sumAvg: 4.28 atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } :: atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } ::sumAvg: 4.28 atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } atom: 4262 41F-QE E 6.749 ambi=3 { CE1:128.727 } :: atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } atom: 4262 41F-QE E 6.749 ambi=3 { CE1:128.727 } ::sumAvg: 4.415 atom: 4262 41F-QE E 6.749 ambi=3 { CE1:128.727 } atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } :: atom: 4262 41F-QE E 6.749 ambi=3 { CE1:128.727 } atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } ::sumAvg: 4.415 atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } :: atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } ::sumAvg: 2.655 atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } ::sumAvg: 4.115 atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } ::sumAvg: 4.115 atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } :: atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } ::sumAvg: 4.585 atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } :: atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } ::sumAvg: 4.585 atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } :: atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } :: atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } :: atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } ::sumAvg: 3.505 atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } :: atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } :: atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } :: atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } ::sumAvg: 3.505 atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } :: atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } ::sumAvg: 4.715 atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } :: atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } ::sumAvg: 4.715 atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } :: atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } ::sumAvg: 4.865 atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } :: atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } ::sumAvg: 4.865 atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } atom: 867 81V-HA A 3.604 ambi=1 { CA:65.286 } :: atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } atom: 867 81V-HA A 3.604 ambi=1 { CA:65.286 } ::sumAvg: 2.47 atom: 867 81V-HA A 3.604 ambi=1 { CA:65.286 } atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } :: atom: 867 81V-HA A 3.604 ambi=1 { CA:65.286 } atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } ::sumAvg: 2.47 atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } ::sumAvg: 4.455 atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } ::sumAvg: 4.455 atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } atom: 902 84L-HG G 1.68 ambi=1 { CG:26.948 } :: atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } atom: 902 84L-HG G 1.68 ambi=1 { CG:26.948 } ::sumAvg: 4.515 atom: 902 84L-HG G 1.68 ambi=1 { CG:26.948 } atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } :: atom: 902 84L-HG G 1.68 ambi=1 { CG:26.948 } atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } ::sumAvg: 4.515 atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } :: atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } :: atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } :: atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } ::sumAvg: 3.24 atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } :: atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } atom: 424 41F-HB2 B 2.491 ambi=2 { CB:36.834 } :: atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } :: atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } atom: 425 41F-HB3 B 2.847 ambi=2 { CB:36.834 } ::sumAvg: 3.24 atom: 426 41F-QD D 7.092 ambi=3 { CD1:132.191 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } ::sumAvg: 3.955 atom: 426 41F-QD D 7.092 ambi=3 { CD1:132.191 } atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } :: atom: 426 41F-QD D 7.092 ambi=3 { CD1:132.191 } atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } ::sumAvg: 4.765 atom: 426 41F-QD D 7.092 ambi=3 { CD1:132.191 } atom: 867 81V-HA A 3.604 ambi=1 { CA:65.286 } ::sumAvg: 4.145 atom: 867 81V-HA A 3.604 ambi=1 { CA:65.286 } atom: 426 41F-QD D 7.092 ambi=3 { CD1:132.191 } ::sumAvg: 4.145 atom: 426 41F-QD D 7.092 ambi=3 { CD1:132.191 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } :: atom: 426 41F-QD D 7.092 ambi=3 { CD1:132.191 } atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } ::sumAvg: 3.39 atom: 426 41F-QD D 7.092 ambi=3 { CD1:132.191 } atom: 902 84L-HG G 1.68 ambi=1 { CG:26.948 } ::sumAvg: 4.365 atom: 902 84L-HG G 1.68 ambi=1 { CG:26.948 } atom: 426 41F-QD D 7.092 ambi=3 { CD1:132.191 } ::sumAvg: 4.365 atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } atom: 426 41F-QD D 7.092 ambi=3 { CD1:132.191 } :: atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } atom: 426 41F-QD D 7.092 ambi=3 { CD1:132.191 } ::sumAvg: 2.725 atom: 4262 41F-QE E 6.749 ambi=3 { CE1:128.727 } atom: 902 84L-HG G 1.68 ambi=1 { CG:26.948 } ::sumAvg: 4.335 atom: 902 84L-HG G 1.68 ambi=1 { CG:26.948 } atom: 4262 41F-QE E 6.749 ambi=3 { CE1:128.727 } ::sumAvg: 4.335 atom: 4262 41F-QE E 6.749 ambi=3 { CE1:128.727 } atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } :: atom: 4262 41F-QE E 6.749 ambi=3 { CE1:128.727 } atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } ::sumAvg: 2.925 atom: 4626 41F-HZ Z 7.108 ambi=1 { CZ:131.398 } atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } :: atom: 4626 41F-HZ Z 7.108 ambi=1 { CZ:131.398 } atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } ::sumAvg: 3.94 atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } ::sumAvg: 4.885 atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } ::sumAvg: 4.715 atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } :: atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } ::sumAvg: 3.23 atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } :: atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } ::sumAvg: 2.505 atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } ::sumAvg: 4.825 atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } ::sumAvg: 4.885 atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } ::sumAvg: 4.085 atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } atom: 459 44D-HB2 B 2.5 ambi=2 { CB:40.67 } :: atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } atom: 460 44D-HB3 B 2.567 ambi=2 { CB:40.67 } ::sumAvg: 4.89 atom: 459 44D-HB2 B 2.5 ambi=2 { CB:40.67 } atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } :: atom: 460 44D-HB3 B 2.567 ambi=2 { CB:40.67 } atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } ::sumAvg: 4.89 atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } atom: 468 45I-HG12 G1 2.358 ambi=2 { CG1:30.284 } :: atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } atom: 469 45I-HG13 G1 0.845 ambi=2 { CG1:30.284 } ::sumAvg: 2.8 atom: 468 45I-HG12 G1 2.358 ambi=2 { CG1:30.284 } atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } :: atom: 469 45I-HG13 G1 0.845 ambi=2 { CG1:30.284 } atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } ::sumAvg: 2.8 atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } atom: 470 45I-HG2 G2 0.974 ambi=1 { CG2:19.491 } ::sumAvg: 4.245 atom: 470 45I-HG2 G2 0.974 ambi=1 { CG2:19.491 } atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } ::sumAvg: 4.245 atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } ::sumAvg: 4.425 atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } ::sumAvg: 4.99 atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } ::sumAvg: 4.99 atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 4.97 atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } ::sumAvg: 4.97 atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } :: atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } ::sumAvg: 2.775 atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } ::sumAvg: 4.705 atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } ::sumAvg: 4.705 atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } :: atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } atom: 451 43N-HD22 D2 6.898 ambi=1 { ND2:114.02 } ::sumAvg: 3.53 atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } ::sumAvg: 4.715 atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } ::sumAvg: 4.715 atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 4.63 atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } ::sumAvg: 4.63 atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } :: atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } ::sumAvg: 4.305 atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } :: atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } ::sumAvg: 4.305 atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } atom: 468 45I-HG12 G1 2.358 ambi=2 { CG1:30.284 } :: atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } atom: 469 45I-HG13 G1 0.845 ambi=2 { CG1:30.284 } :: atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } atom: 468 45I-HG12 G1 2.358 ambi=2 { CG1:30.284 } :: atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } atom: 469 45I-HG13 G1 0.845 ambi=2 { CG1:30.284 } ::sumAvg: 4.845 atom: 468 45I-HG12 G1 2.358 ambi=2 { CG1:30.284 } atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } :: atom: 469 45I-HG13 G1 0.845 ambi=2 { CG1:30.284 } atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } :: atom: 468 45I-HG12 G1 2.358 ambi=2 { CG1:30.284 } atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } :: atom: 469 45I-HG13 G1 0.845 ambi=2 { CG1:30.284 } atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } ::sumAvg: 4.845 atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } :: atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } ::sumAvg: 3.31 atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } :: atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } ::sumAvg: 3.31 atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } :: atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } ::sumAvg: 4.715 atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } :: atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } ::sumAvg: 4.9 atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } :: atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } ::sumAvg: 4.99 atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } :: atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } :: atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } ::sumAvg: 2.545 atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } :: atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } :: atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } ::sumAvg: 2.545 atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } :: atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } ::sumAvg: 3.795 atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } :: atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } ::sumAvg: 4.69 atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } :: atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } ::sumAvg: 4.69 atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } ::sumAvg: 3.245 atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } atom: 465 45I-H N 7.604 ambi=1 { N:121.473 } ::sumAvg: 4.245 atom: 467 45I-HB B 1.872 ambi=1 { CB:37.886 } atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } ::sumAvg: 2.955 atom: 468 45I-HG12 G1 2.358 ambi=2 { CG1:30.284 } atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } :: atom: 469 45I-HG13 G1 0.845 ambi=2 { CG1:30.284 } atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } ::sumAvg: 4.27 atom: 470 45I-HG2 G2 0.974 ambi=1 { CG2:19.491 } atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } ::sumAvg: 3.79 atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } ::sumAvg: 3.24 atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } ::sumAvg: 3.24 atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } ::sumAvg: 3.545 atom: 481 46L-HB2 B 1.838 ambi=2 { CB:41.967 } atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } :: atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } ::sumAvg: 4.23 atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } ::sumAvg: 2.945 atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } :: atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } ::sumAvg: 4.87 atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } :: atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } ::sumAvg: 4.87 atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } ::sumAvg: 4.515 atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } atom: 465 45I-H N 7.604 ambi=1 { N:121.473 } ::sumAvg: 4.32 atom: 467 45I-HB B 1.872 ambi=1 { CB:37.886 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } ::sumAvg: 2.915 atom: 468 45I-HG12 G1 2.358 ambi=2 { CG1:30.284 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } :: atom: 469 45I-HG13 G1 0.845 ambi=2 { CG1:30.284 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } ::sumAvg: 3.395 atom: 470 45I-HG2 G2 0.974 ambi=1 { CG2:19.491 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } ::sumAvg: 3.265 atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } ::sumAvg: 1.865 atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } ::sumAvg: 4.48 atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } ::sumAvg: 4.32 atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } ::sumAvg: 4.32 atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } ::sumAvg: 4.89 atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } :: atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } ::sumAvg: 4.57 atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } ::sumAvg: 3.44 atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } :: atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } ::sumAvg: 4.08 atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } :: atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } ::sumAvg: 4.61 atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } ::sumAvg: 4.3 atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } ::sumAvg: 4.3 atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } :: atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } ::sumAvg: 2.745 atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } ::sumAvg: 4.8 atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } ::sumAvg: 4.8 atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } ::sumAvg: 3.095 atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } ::sumAvg: 2.68 atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } ::sumAvg: 2.535 atom: 459 44D-HB2 B 2.5 ambi=2 { CB:40.67 } atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } :: atom: 460 44D-HB3 B 2.567 ambi=2 { CB:40.67 } atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } ::sumAvg: 4.735 atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } ::sumAvg: 4.59 atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } ::sumAvg: 2.455 atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } :: atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } atom: 451 43N-HD22 D2 6.898 ambi=1 { ND2:114.02 } ::sumAvg: 2.1 atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } ::sumAvg: 3.525 atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } atom: 465 45I-H N 7.604 ambi=1 { N:121.473 } ::sumAvg: 4.39 atom: 467 45I-HB B 1.872 ambi=1 { CB:37.886 } atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } ::sumAvg: 4.94 atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } ::sumAvg: 4.24 atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } atom: 499 47K-HD2 D 1.581 ambi=2 { CD:29.714 } :: atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } atom: 500 47K-HD3 D 1.709 ambi=2 { CD:29.714 } ::sumAvg: 4.68 atom: 499 47K-HD2 D 1.581 ambi=2 { CD:29.714 } atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } :: atom: 500 47K-HD3 D 1.709 ambi=2 { CD:29.714 } atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } ::sumAvg: 4.68 atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } :: atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 451 43N-HD22 D2 6.898 ambi=1 { ND2:114.02 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 451 43N-HD22 D2 6.898 ambi=1 { ND2:114.02 } ::sumAvg: 3.23 atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } ::sumAvg: 2.615 atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 458 44D-HA A 4.247 ambi=1 { CA:57.538 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 458 44D-HA A 4.247 ambi=1 { CA:57.538 } ::sumAvg: 4.22 atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 481 46L-HB2 B 1.838 ambi=2 { CB:41.967 } :: atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 481 46L-HB2 B 1.838 ambi=2 { CB:41.967 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } ::sumAvg: 4.48 atom: 481 46L-HB2 B 1.838 ambi=2 { CB:41.967 } atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } :: atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } :: atom: 481 46L-HB2 B 1.838 ambi=2 { CB:41.967 } atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } :: atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } ::sumAvg: 4.48 atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 4.615 atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } :: atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } ::sumAvg: 4.615 atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } :: atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } ::sumAvg: 4.995 atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } :: atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } :: atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } :: atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } ::sumAvg: 4.995 atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 497 47K-HG2 G 1.725 ambi=2 { CG:25.683 } :: atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 498 47K-HG3 G 1.357 ambi=2 { CG:25.683 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 497 47K-HG2 G 1.725 ambi=2 { CG:25.683 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 498 47K-HG3 G 1.357 ambi=2 { CG:25.683 } ::sumAvg: 4.73 atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 499 47K-HD2 D 1.581 ambi=2 { CD:29.714 } :: atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } atom: 500 47K-HD3 D 1.709 ambi=2 { CD:29.714 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 499 47K-HD2 D 1.581 ambi=2 { CD:29.714 } :: atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } atom: 500 47K-HD3 D 1.709 ambi=2 { CD:29.714 } ::sumAvg: 3.35 atom: 481 46L-HB2 B 1.838 ambi=2 { CB:41.967 } atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } :: atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } ::sumAvg: 4.73 atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } :: atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 451 43N-HD22 D2 6.898 ambi=1 { ND2:114.02 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 451 43N-HD22 D2 6.898 ambi=1 { ND2:114.02 } ::sumAvg: 3.325 atom: 459 44D-HB2 B 2.5 ambi=2 { CB:40.67 } atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } :: atom: 460 44D-HB3 B 2.567 ambi=2 { CB:40.67 } atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } ::sumAvg: 2.42 atom: 467 45I-HB B 1.872 ambi=1 { CB:37.886 } atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } ::sumAvg: 4.83 atom: 468 45I-HG12 G1 2.358 ambi=2 { CG1:30.284 } atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } :: atom: 469 45I-HG13 G1 0.845 ambi=2 { CG1:30.284 } atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } ::sumAvg: 4.41 atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } :: atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } ::sumAvg: 4.84 atom: 458 44D-HA A 4.247 ambi=1 { CA:57.538 } atom: 459 44D-HB2 B 2.5 ambi=2 { CB:40.67 } :: atom: 458 44D-HA A 4.247 ambi=1 { CA:57.538 } atom: 460 44D-HB3 B 2.567 ambi=2 { CB:40.67 } ::sumAvg: 2.43 atom: 459 44D-HB2 B 2.5 ambi=2 { CB:40.67 } atom: 458 44D-HA A 4.247 ambi=1 { CA:57.538 } :: atom: 460 44D-HB3 B 2.567 ambi=2 { CB:40.67 } atom: 458 44D-HA A 4.247 ambi=1 { CA:57.538 } ::sumAvg: 2.43 atom: 458 44D-HA A 4.247 ambi=1 { CA:57.538 } atom: 466 45I-HA A 3.687 ambi=1 { CA:65.907 } ::sumAvg: 4.87 atom: 466 45I-HA A 3.687 ambi=1 { CA:65.907 } atom: 458 44D-HA A 4.247 ambi=1 { CA:57.538 } ::sumAvg: 4.87 atom: 458 44D-HA A 4.247 ambi=1 { CA:57.538 } atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } ::sumAvg: 4.79 atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } atom: 458 44D-HA A 4.247 ambi=1 { CA:57.538 } :: atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } atom: 458 44D-HA A 4.247 ambi=1 { CA:57.538 } ::sumAvg: 2.605 atom: 497 47K-HG2 G 1.725 ambi=2 { CG:25.683 } atom: 458 44D-HA A 4.247 ambi=1 { CA:57.538 } :: atom: 498 47K-HG3 G 1.357 ambi=2 { CG:25.683 } atom: 458 44D-HA A 4.247 ambi=1 { CA:57.538 } ::sumAvg: 4.37 atom: 499 47K-HD2 D 1.581 ambi=2 { CD:29.714 } atom: 458 44D-HA A 4.247 ambi=1 { CA:57.538 } :: atom: 500 47K-HD3 D 1.709 ambi=2 { CD:29.714 } atom: 458 44D-HA A 4.247 ambi=1 { CA:57.538 } ::sumAvg: 3.7 atom: 458 44D-HA A 4.247 ambi=1 { CA:57.538 } atom: 510 48V-H N 7.791 ambi=1 { N:124.655 } ::sumAvg: 4.58 atom: 458 44D-HA A 4.247 ambi=1 { CA:57.538 } atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } :: atom: 458 44D-HA A 4.247 ambi=1 { CA:57.538 } atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } ::sumAvg: 3.825 atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } atom: 458 44D-HA A 4.247 ambi=1 { CA:57.538 } :: atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } atom: 458 44D-HA A 4.247 ambi=1 { CA:57.538 } ::sumAvg: 3.825 atom: 459 44D-HB2 B 2.5 ambi=2 { CB:40.67 } atom: 465 45I-H N 7.604 ambi=1 { N:121.473 } :: atom: 460 44D-HB3 B 2.567 ambi=2 { CB:40.67 } atom: 465 45I-H N 7.604 ambi=1 { N:121.473 } ::sumAvg: 2.82 atom: 459 44D-HB2 B 2.5 ambi=2 { CB:40.67 } atom: 466 45I-HA A 3.687 ambi=1 { CA:65.907 } :: atom: 460 44D-HB3 B 2.567 ambi=2 { CB:40.67 } atom: 466 45I-HA A 3.687 ambi=1 { CA:65.907 } ::sumAvg: 4.585 atom: 459 44D-HB2 B 2.5 ambi=2 { CB:40.67 } atom: 469 45I-HG13 G1 0.845 ambi=2 { CG1:30.284 } :: atom: 460 44D-HB3 B 2.567 ambi=2 { CB:40.67 } atom: 469 45I-HG13 G1 0.845 ambi=2 { CG1:30.284 } ::sumAvg: 3.795 atom: 469 45I-HG13 G1 0.845 ambi=2 { CG1:30.284 } atom: 459 44D-HB2 B 2.5 ambi=2 { CB:40.67 } :: atom: 469 45I-HG13 G1 0.845 ambi=2 { CG1:30.284 } atom: 460 44D-HB3 B 2.567 ambi=2 { CB:40.67 } ::sumAvg: 3.795 atom: 459 44D-HB2 B 2.5 ambi=2 { CB:40.67 } atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } :: atom: 459 44D-HB2 B 2.5 ambi=2 { CB:40.67 } atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } :: atom: 460 44D-HB3 B 2.567 ambi=2 { CB:40.67 } atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } :: atom: 460 44D-HB3 B 2.567 ambi=2 { CB:40.67 } atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } ::sumAvg: 4.99 atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } atom: 459 44D-HB2 B 2.5 ambi=2 { CB:40.67 } :: atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } atom: 459 44D-HB2 B 2.5 ambi=2 { CB:40.67 } :: atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } atom: 460 44D-HB3 B 2.567 ambi=2 { CB:40.67 } :: atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } atom: 460 44D-HB3 B 2.567 ambi=2 { CB:40.67 } ::sumAvg: 4.99 atom: 459 44D-HB2 B 2.5 ambi=2 { CB:40.67 } atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } :: atom: 459 44D-HB2 B 2.5 ambi=2 { CB:40.67 } atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } :: atom: 460 44D-HB3 B 2.567 ambi=2 { CB:40.67 } atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } :: atom: 460 44D-HB3 B 2.567 ambi=2 { CB:40.67 } atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } ::sumAvg: 3.79 atom: 459 44D-HB2 B 2.5 ambi=2 { CB:40.67 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } :: atom: 459 44D-HB2 B 2.5 ambi=2 { CB:40.67 } atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } :: atom: 460 44D-HB3 B 2.567 ambi=2 { CB:40.67 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } :: atom: 460 44D-HB3 B 2.567 ambi=2 { CB:40.67 } atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } ::sumAvg: 3.555 atom: 481 46L-HB2 B 1.838 ambi=2 { CB:41.967 } atom: 465 45I-H N 7.604 ambi=1 { N:121.473 } :: atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } atom: 465 45I-H N 7.604 ambi=1 { N:121.473 } ::sumAvg: 4.87 atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } atom: 465 45I-H N 7.604 ambi=1 { N:121.473 } ::sumAvg: 4.79 atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } atom: 465 45I-H N 7.604 ambi=1 { N:121.473 } :: atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } atom: 465 45I-H N 7.604 ambi=1 { N:121.473 } ::sumAvg: 3.94 atom: 466 45I-HA A 3.687 ambi=1 { CA:65.907 } atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } ::sumAvg: 4.295 atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 466 45I-HA A 3.687 ambi=1 { CA:65.907 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 466 45I-HA A 3.687 ambi=1 { CA:65.907 } ::sumAvg: 3.405 atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } atom: 466 45I-HA A 3.687 ambi=1 { CA:65.907 } ::sumAvg: 4.75 atom: 467 45I-HB B 1.872 ambi=1 { CB:37.886 } atom: 480 46L-HA A 3.833 ambi=1 { CA:57.08 } ::sumAvg: 4.3 atom: 467 45I-HB B 1.872 ambi=1 { CB:37.886 } atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } ::sumAvg: 4.625 atom: 467 45I-HB B 1.872 ambi=1 { CB:37.886 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 467 45I-HB B 1.872 ambi=1 { CB:37.886 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 4.17 atom: 467 45I-HB B 1.872 ambi=1 { CB:37.886 } atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } ::sumAvg: 4.74 atom: 467 45I-HB B 1.872 ambi=1 { CB:37.886 } atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } :: atom: 467 45I-HB B 1.872 ambi=1 { CB:37.886 } atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } ::sumAvg: 4.23 atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 467 45I-HB B 1.872 ambi=1 { CB:37.886 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 467 45I-HB B 1.872 ambi=1 { CB:37.886 } ::sumAvg: 4.23 atom: 467 45I-HB B 1.872 ambi=1 { CB:37.886 } atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } :: atom: 467 45I-HB B 1.872 ambi=1 { CB:37.886 } atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } ::sumAvg: 4.885 atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } atom: 467 45I-HB B 1.872 ambi=1 { CB:37.886 } :: atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } atom: 467 45I-HB B 1.872 ambi=1 { CB:37.886 } ::sumAvg: 4.885 atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 467 45I-HB B 1.872 ambi=1 { CB:37.886 } :: atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 467 45I-HB B 1.872 ambi=1 { CB:37.886 } ::sumAvg: 4.035 atom: 468 45I-HG12 G1 2.358 ambi=2 { CG1:30.284 } atom: 470 45I-HG2 G2 0.974 ambi=1 { CG2:19.491 } ::sumAvg: 2.375 atom: 468 45I-HG12 G1 2.358 ambi=2 { CG1:30.284 } atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } :: atom: 469 45I-HG13 G1 0.845 ambi=2 { CG1:30.284 } atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } ::sumAvg: 4.195 atom: 468 45I-HG12 G1 2.358 ambi=2 { CG1:30.284 } atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } :: atom: 468 45I-HG12 G1 2.358 ambi=2 { CG1:30.284 } atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } ::sumAvg: 4.09 atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } atom: 468 45I-HG12 G1 2.358 ambi=2 { CG1:30.284 } ::sumAvg: 4.58 atom: 469 45I-HG13 G1 0.845 ambi=2 { CG1:30.284 } atom: 822 77K-HB2 B 2.237 ambi=2 { CB:33.671 } :: atom: 469 45I-HG13 G1 0.845 ambi=2 { CG1:30.284 } atom: 823 77K-HB3 B 1.97 ambi=2 { CB:33.671 } ::sumAvg: 4.86 atom: 822 77K-HB2 B 2.237 ambi=2 { CB:33.671 } atom: 469 45I-HG13 G1 0.845 ambi=2 { CG1:30.284 } :: atom: 823 77K-HB3 B 1.97 ambi=2 { CB:33.671 } atom: 469 45I-HG13 G1 0.845 ambi=2 { CG1:30.284 } ::sumAvg: 4.86 atom: 838 78V-HA A 3.664 ambi=1 { CA:66.98 } atom: 468 45I-HG12 G1 2.358 ambi=2 { CG1:30.284 } :: atom: 838 78V-HA A 3.664 ambi=1 { CA:66.98 } atom: 469 45I-HG13 G1 0.845 ambi=2 { CG1:30.284 } ::sumAvg: 2.745 atom: 468 45I-HG12 G1 2.358 ambi=2 { CG1:30.284 } atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } :: atom: 468 45I-HG12 G1 2.358 ambi=2 { CG1:30.284 } atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } ::sumAvg: 3.145 atom: 468 45I-HG12 G1 2.358 ambi=2 { CG1:30.284 } atom: 866 81V-H N 7.413 ambi=1 { N:117.374 } :: atom: 469 45I-HG13 G1 0.845 ambi=2 { CG1:30.284 } atom: 866 81V-H N 7.413 ambi=1 { N:117.374 } ::sumAvg: 4.95 atom: 469 45I-HG13 G1 0.845 ambi=2 { CG1:30.284 } atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } ::sumAvg: 4.465 atom: 481 46L-HB2 B 1.838 ambi=2 { CB:41.967 } atom: 470 45I-HG2 G2 0.974 ambi=1 { CG2:19.491 } ::sumAvg: 4.89 atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } atom: 470 45I-HG2 G2 0.974 ambi=1 { CG2:19.491 } ::sumAvg: 3.45 atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 470 45I-HG2 G2 0.974 ambi=1 { CG2:19.491 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 470 45I-HG2 G2 0.974 ambi=1 { CG2:19.491 } ::sumAvg: 3.345 atom: 470 45I-HG2 G2 0.974 ambi=1 { CG2:19.491 } atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } ::sumAvg: 4.805 atom: 470 45I-HG2 G2 0.974 ambi=1 { CG2:19.491 } atom: 510 48V-H N 7.791 ambi=1 { N:124.655 } ::sumAvg: 4.315 atom: 470 45I-HG2 G2 0.974 ambi=1 { CG2:19.491 } atom: 539 51V-HA A 3.768 ambi=1 { CA:64.61 } ::sumAvg: 4.72 atom: 539 51V-HA A 3.768 ambi=1 { CA:64.61 } atom: 470 45I-HG2 G2 0.974 ambi=1 { CG2:19.491 } ::sumAvg: 4.72 atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 470 45I-HG2 G2 0.974 ambi=1 { CG2:19.491 } ::sumAvg: 3.525 atom: 838 78V-HA A 3.664 ambi=1 { CA:66.98 } atom: 470 45I-HG2 G2 0.974 ambi=1 { CG2:19.491 } ::sumAvg: 3.795 atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } ::sumAvg: 4.32 atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } ::sumAvg: 4.655 atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } ::sumAvg: 4.655 atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } ::sumAvg: 4.615 atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } ::sumAvg: 4.615 atom: 838 78V-HA A 3.664 ambi=1 { CA:66.98 } atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } ::sumAvg: 2.935 atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } ::sumAvg: 4.81 atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } ::sumAvg: 4.81 atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } atom: 866 81V-H N 7.413 ambi=1 { N:117.374 } ::sumAvg: 4.535 atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } atom: 867 81V-HA A 3.604 ambi=1 { CA:65.286 } ::sumAvg: 4.79 atom: 867 81V-HA A 3.604 ambi=1 { CA:65.286 } atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } ::sumAvg: 4.79 atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } ::sumAvg: 3.16 atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } ::sumAvg: 3.16 atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } atom: 877 82F-H N 7.266 ambi=1 { N:115.771 } ::sumAvg: 4.85 atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } ::sumAvg: 4.64 atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } ::sumAvg: 4.64 atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } :: atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } ::sumAvg: 4.8 atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } :: atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } ::sumAvg: 4.72 atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } ::sumAvg: 4.25 atom: 480 46L-HA A 3.833 ambi=1 { CA:57.08 } atom: 510 48V-H N 7.791 ambi=1 { N:124.655 } ::sumAvg: 3.835 atom: 480 46L-HA A 3.833 ambi=1 { CA:57.08 } atom: 512 48V-HB B 2.524 ambi=1 { CB:30.987 } ::sumAvg: 4.94 atom: 512 48V-HB B 2.524 ambi=1 { CB:30.987 } atom: 480 46L-HA A 3.833 ambi=1 { CA:57.08 } ::sumAvg: 4.94 atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 480 46L-HA A 3.833 ambi=1 { CA:57.08 } :: atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } atom: 480 46L-HA A 3.833 ambi=1 { CA:57.08 } ::sumAvg: 4.25 atom: 480 46L-HA A 3.833 ambi=1 { CA:57.08 } atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } ::sumAvg: 3.64 atom: 481 46L-HB2 B 1.838 ambi=2 { CB:41.967 } atom: 494 47K-HA A 4.044 ambi=1 { CA:57.174 } :: atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } atom: 494 47K-HA A 4.044 ambi=1 { CA:57.174 } ::sumAvg: 4.375 atom: 494 47K-HA A 4.044 ambi=1 { CA:57.174 } atom: 481 46L-HB2 B 1.838 ambi=2 { CB:41.967 } :: atom: 494 47K-HA A 4.044 ambi=1 { CA:57.174 } atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } ::sumAvg: 4.375 atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } :: atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } ::sumAvg: 4.52 atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } :: atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } ::sumAvg: 4.52 atom: 481 46L-HB2 B 1.838 ambi=2 { CB:41.967 } atom: 498 47K-HG3 G 1.357 ambi=2 { CG:25.683 } :: atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } atom: 497 47K-HG2 G 1.725 ambi=2 { CG:25.683 } ::sumAvg: 4.605 atom: 498 47K-HG3 G 1.357 ambi=2 { CG:25.683 } atom: 481 46L-HB2 B 1.838 ambi=2 { CB:41.967 } :: atom: 497 47K-HG2 G 1.725 ambi=2 { CG:25.683 } atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } ::sumAvg: 4.605 atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } atom: 500 47K-HD3 D 1.709 ambi=2 { CD:29.714 } ::sumAvg: 4.65 atom: 500 47K-HD3 D 1.709 ambi=2 { CD:29.714 } atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } ::sumAvg: 4.65 atom: 481 46L-HB2 B 1.838 ambi=2 { CB:41.967 } atom: 510 48V-H N 7.791 ambi=1 { N:124.655 } :: atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } atom: 510 48V-H N 7.791 ambi=1 { N:124.655 } ::sumAvg: 4.825 atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } ::sumAvg: 4.41 atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } ::sumAvg: 3.95 atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } ::sumAvg: 3.855 atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } ::sumAvg: 4.885 atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } ::sumAvg: 4.885 atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } ::sumAvg: 4.475 atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } ::sumAvg: 3.735 atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 3.735 atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 564 53S-H N 7.655 ambi=1 { N:108.885 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 564 53S-H N 7.655 ambi=1 { N:108.885 } ::sumAvg: 4.265 atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } ::sumAvg: 2.875 atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 2.875 atom: 566 53S-HB2 B 3.881 ambi=2 { CB:64.653 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 567 53S-HB3 B 3.767 ambi=2 { CB:64.653 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 566 53S-HB2 B 3.881 ambi=2 { CB:64.653 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } :: atom: 567 53S-HB3 B 3.767 ambi=2 { CB:64.653 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 4.405 atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } ::sumAvg: 4.425 atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 4.425 atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 2.695 atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } :: atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } ::sumAvg: 3.885 atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 3.885 atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } ::sumAvg: 2.315 atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } :: atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 4.325 atom: 511 48V-HA A 3.626 ambi=1 { CA:63.747 } atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } ::sumAvg: 4.995 atom: 512 48V-HB B 2.524 ambi=1 { CB:30.987 } atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } ::sumAvg: 4.58 atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } ::sumAvg: 4.815 atom: 499 47K-HD2 D 1.581 ambi=2 { CD:29.714 } atom: 494 47K-HA A 4.044 ambi=1 { CA:57.174 } :: atom: 500 47K-HD3 D 1.709 ambi=2 { CD:29.714 } atom: 494 47K-HA A 4.044 ambi=1 { CA:57.174 } ::sumAvg: 3.39 atom: 494 47K-HA A 4.044 ambi=1 { CA:57.174 } atom: 501 47K-HE2 E 2.803 ambi=2 { CE:42.29 } :: atom: 494 47K-HA A 4.044 ambi=1 { CA:57.174 } atom: 502 47K-HE3 E 2.792 ambi=2 { CE:42.29 } ::sumAvg: 4.24 atom: 501 47K-HE2 E 2.803 ambi=2 { CE:42.29 } atom: 494 47K-HA A 4.044 ambi=1 { CA:57.174 } :: atom: 502 47K-HE3 E 2.792 ambi=2 { CE:42.29 } atom: 494 47K-HA A 4.044 ambi=1 { CA:57.174 } ::sumAvg: 4.24 atom: 494 47K-HA A 4.044 ambi=1 { CA:57.174 } atom: 511 48V-HA A 3.626 ambi=1 { CA:63.747 } ::sumAvg: 4.735 atom: 511 48V-HA A 3.626 ambi=1 { CA:63.747 } atom: 494 47K-HA A 4.044 ambi=1 { CA:57.174 } ::sumAvg: 4.735 atom: 494 47K-HA A 4.044 ambi=1 { CA:57.174 } atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } :: atom: 494 47K-HA A 4.044 ambi=1 { CA:57.174 } atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } ::sumAvg: 4.985 atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } atom: 494 47K-HA A 4.044 ambi=1 { CA:57.174 } :: atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } atom: 494 47K-HA A 4.044 ambi=1 { CA:57.174 } ::sumAvg: 4.985 atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } atom: 499 47K-HD2 D 1.581 ambi=2 { CD:29.714 } ::sumAvg: 2.435 atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } atom: 501 47K-HE2 E 2.803 ambi=2 { CE:42.29 } :: atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } atom: 502 47K-HE3 E 2.792 ambi=2 { CE:42.29 } :: atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } atom: 501 47K-HE2 E 2.803 ambi=2 { CE:42.29 } :: atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } atom: 502 47K-HE3 E 2.792 ambi=2 { CE:42.29 } ::sumAvg: 3.555 atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } atom: 510 48V-H N 7.791 ambi=1 { N:124.655 } :: atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } atom: 510 48V-H N 7.791 ambi=1 { N:124.655 } ::sumAvg: 3.445 atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } atom: 511 48V-HA A 3.626 ambi=1 { CA:63.747 } :: atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } atom: 511 48V-HA A 3.626 ambi=1 { CA:63.747 } ::sumAvg: 4.36 atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } :: atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } :: atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } :: atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } ::sumAvg: 3.9 atom: 497 47K-HG2 G 1.725 ambi=2 { CG:25.683 } atom: 510 48V-H N 7.791 ambi=1 { N:124.655 } :: atom: 498 47K-HG3 G 1.357 ambi=2 { CG:25.683 } atom: 510 48V-H N 7.791 ambi=1 { N:124.655 } ::sumAvg: 4.845 atom: 525 49E-QG G 2.253 ambi=2 { CG:36.101 } atom: 511 48V-HA A 3.626 ambi=1 { CA:63.747 } ::sumAvg: 4.17 atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 511 48V-HA A 3.626 ambi=1 { CA:63.747 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 511 48V-HA A 3.626 ambi=1 { CA:63.747 } ::sumAvg: 4.75 atom: 512 48V-HB B 2.524 ambi=1 { CB:30.987 } atom: 521 49E-H N 8.569 ambi=1 { N:130.358 } ::sumAvg: 4.425 atom: 512 48V-HB B 2.524 ambi=1 { CB:30.987 } atom: 823 77K-HB3 B 1.97 ambi=2 { CB:33.671 } ::sumAvg: 4.67 atom: 823 77K-HB3 B 1.97 ambi=2 { CB:33.671 } atom: 512 48V-HB B 2.524 ambi=1 { CB:30.987 } ::sumAvg: 4.67 atom: 512 48V-HB B 2.524 ambi=1 { CB:30.987 } atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } :: atom: 512 48V-HB B 2.524 ambi=1 { CB:30.987 } atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } ::sumAvg: 4.755 atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } atom: 522 49E-HA A 3.941 ambi=1 { CA:58.393 } :: atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } atom: 522 49E-HA A 3.941 ambi=1 { CA:58.393 } ::sumAvg: 4.305 atom: 523 49E-HB2 B 1.996 ambi=2 { CB:29.169 } atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } :: atom: 524 49E-HB3 B 1.911 ambi=2 { CB:29.169 } atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } :: atom: 523 49E-HB2 B 1.996 ambi=2 { CB:29.169 } atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } :: atom: 524 49E-HB3 B 1.911 ambi=2 { CB:29.169 } atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } ::sumAvg: 4.18 atom: 525 49E-QG G 2.253 ambi=2 { CG:36.101 } atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } :: atom: 525 49E-QG G 2.253 ambi=2 { CG:36.101 } atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } ::sumAvg: 3.91 atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } atom: 532 50G-H N 8.768 ambi=1 { N:114.068 } :: atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } atom: 532 50G-H N 8.768 ambi=1 { N:114.068 } ::sumAvg: 4.37 atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } atom: 539 51V-HA A 3.768 ambi=1 { CA:64.61 } :: atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } atom: 539 51V-HA A 3.768 ambi=1 { CA:64.61 } ::sumAvg: 4.93 atom: 539 51V-HA A 3.768 ambi=1 { CA:64.61 } atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } :: atom: 539 51V-HA A 3.768 ambi=1 { CA:64.61 } atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } ::sumAvg: 4.93 atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } :: atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } ::sumAvg: 4.76 atom: 821 77K-HA A 4.158 ambi=1 { CA:58.95 } atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } :: atom: 821 77K-HA A 4.158 ambi=1 { CA:58.95 } atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } ::sumAvg: 4.725 atom: 522 49E-HA A 3.941 ambi=1 { CA:58.393 } atom: 534 50G-HA3 A 3.384 ambi=2 { CA:44.705 } ::sumAvg: 4.4 atom: 522 49E-HA A 3.941 ambi=1 { CA:58.393 } atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } :: atom: 522 49E-HA A 3.941 ambi=1 { CA:58.393 } atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } ::sumAvg: 4.43 atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 522 49E-HA A 3.941 ambi=1 { CA:58.393 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 522 49E-HA A 3.941 ambi=1 { CA:58.393 } ::sumAvg: 4.43 atom: 523 49E-HB2 B 1.996 ambi=2 { CB:29.169 } atom: 533 50G-HA2 A 4.185 ambi=2 { CA:44.705 } :: atom: 523 49E-HB2 B 1.996 ambi=2 { CB:29.169 } atom: 534 50G-HA3 A 3.384 ambi=2 { CA:44.705 } :: atom: 524 49E-HB3 B 1.911 ambi=2 { CB:29.169 } atom: 533 50G-HA2 A 4.185 ambi=2 { CA:44.705 } :: atom: 524 49E-HB3 B 1.911 ambi=2 { CB:29.169 } atom: 534 50G-HA3 A 3.384 ambi=2 { CA:44.705 } ::sumAvg: 4.52 atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } atom: 532 50G-H N 8.768 ambi=1 { N:114.068 } ::sumAvg: 4.69 atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 532 50G-H N 8.768 ambi=1 { N:114.068 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 532 50G-H N 8.768 ambi=1 { N:114.068 } ::sumAvg: 3.75 atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } atom: 532 50G-H N 8.768 ambi=1 { N:114.068 } :: atom: 709 66E-HG3 G 2.051 ambi=2 { CG:35.198 } atom: 532 50G-H N 8.768 ambi=1 { N:114.068 } ::sumAvg: 4.555 atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } atom: 532 50G-H N 8.768 ambi=1 { N:114.068 } ::sumAvg: 4.605 atom: 787 74V-HG1 G1 0.862 ambi=2 { CG1:22.438 } atom: 532 50G-H N 8.768 ambi=1 { N:114.068 } :: atom: 788 74V-HG2 G2 0.97 ambi=2 { CG2:22.447 } atom: 532 50G-H N 8.768 ambi=1 { N:114.068 } ::sumAvg: 4.74 atom: 533 50G-HA2 A 4.185 ambi=2 { CA:44.705 } atom: 539 51V-HA A 3.768 ambi=1 { CA:64.61 } ::sumAvg: 4.415 atom: 539 51V-HA A 3.768 ambi=1 { CA:64.61 } atom: 533 50G-HA2 A 4.185 ambi=2 { CA:44.705 } ::sumAvg: 4.415 atom: 533 50G-HA2 A 4.185 ambi=2 { CA:44.705 } atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } :: atom: 533 50G-HA2 A 4.185 ambi=2 { CA:44.705 } atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } :: atom: 534 50G-HA3 A 3.384 ambi=2 { CA:44.705 } atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } :: atom: 534 50G-HA3 A 3.384 ambi=2 { CA:44.705 } atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } ::sumAvg: 4.005 atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 533 50G-HA2 A 4.185 ambi=2 { CA:44.705 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 533 50G-HA2 A 4.185 ambi=2 { CA:44.705 } :: atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 534 50G-HA3 A 3.384 ambi=2 { CA:44.705 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 534 50G-HA3 A 3.384 ambi=2 { CA:44.705 } ::sumAvg: 4.005 atom: 533 50G-HA2 A 4.185 ambi=2 { CA:44.705 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } :: atom: 534 50G-HA3 A 3.384 ambi=2 { CA:44.705 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } ::sumAvg: 4.935 atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } atom: 533 50G-HA2 A 4.185 ambi=2 { CA:44.705 } :: atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } atom: 534 50G-HA3 A 3.384 ambi=2 { CA:44.705 } ::sumAvg: 4.935 atom: 533 50G-HA2 A 4.185 ambi=2 { CA:44.705 } atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } :: atom: 533 50G-HA2 A 4.185 ambi=2 { CA:44.705 } atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } :: atom: 534 50G-HA3 A 3.384 ambi=2 { CA:44.705 } atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } :: atom: 534 50G-HA3 A 3.384 ambi=2 { CA:44.705 } atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } ::sumAvg: 4.37 atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } atom: 533 50G-HA2 A 4.185 ambi=2 { CA:44.705 } :: atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } atom: 533 50G-HA2 A 4.185 ambi=2 { CA:44.705 } :: atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } atom: 534 50G-HA3 A 3.384 ambi=2 { CA:44.705 } :: atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } atom: 534 50G-HA3 A 3.384 ambi=2 { CA:44.705 } ::sumAvg: 4.37 atom: 533 50G-HA2 A 4.185 ambi=2 { CA:44.705 } atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } :: atom: 534 50G-HA3 A 3.384 ambi=2 { CA:44.705 } atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } ::sumAvg: 4.995 atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } atom: 533 50G-HA2 A 4.185 ambi=2 { CA:44.705 } :: atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } atom: 534 50G-HA3 A 3.384 ambi=2 { CA:44.705 } ::sumAvg: 4.69 atom: 533 50G-HA2 A 4.185 ambi=2 { CA:44.705 } atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } :: atom: 534 50G-HA3 A 3.384 ambi=2 { CA:44.705 } atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } ::sumAvg: 4.9 atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } atom: 533 50G-HA2 A 4.185 ambi=2 { CA:44.705 } :: atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } atom: 534 50G-HA3 A 3.384 ambi=2 { CA:44.705 } ::sumAvg: 4.9 atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } atom: 538 51V-H N 7.751 ambi=1 { N:120.498 } ::sumAvg: 4.815 atom: 539 51V-HA A 3.768 ambi=1 { CA:64.61 } atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } ::sumAvg: 4.835 atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } atom: 539 51V-HA A 3.768 ambi=1 { CA:64.61 } ::sumAvg: 4.835 atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } atom: 539 51V-HA A 3.768 ambi=1 { CA:64.61 } :: atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } atom: 539 51V-HA A 3.768 ambi=1 { CA:64.61 } ::sumAvg: 4.4 atom: 539 51V-HA A 3.768 ambi=1 { CA:64.61 } atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } :: atom: 539 51V-HA A 3.768 ambi=1 { CA:64.61 } atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } ::sumAvg: 3.26 atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } atom: 539 51V-HA A 3.768 ambi=1 { CA:64.61 } :: atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } atom: 539 51V-HA A 3.768 ambi=1 { CA:64.61 } ::sumAvg: 3.26 atom: 539 51V-HA A 3.768 ambi=1 { CA:64.61 } atom: 787 74V-HG1 G1 0.862 ambi=2 { CG1:22.438 } :: atom: 539 51V-HA A 3.768 ambi=1 { CA:64.61 } atom: 788 74V-HG2 G2 0.97 ambi=2 { CG2:22.447 } ::sumAvg: 4.055 atom: 787 74V-HG1 G1 0.862 ambi=2 { CG1:22.438 } atom: 539 51V-HA A 3.768 ambi=1 { CA:64.61 } :: atom: 788 74V-HG2 G2 0.97 ambi=2 { CG2:22.447 } atom: 539 51V-HA A 3.768 ambi=1 { CA:64.61 } ::sumAvg: 4.055 atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } atom: 549 52K-H N 9.379 ambi=1 { N:129.475 } ::sumAvg: 3.665 atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } ::sumAvg: 4.93 atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } ::sumAvg: 4.93 atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } atom: 564 53S-H N 7.655 ambi=1 { N:108.885 } ::sumAvg: 4.52 atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } ::sumAvg: 4.985 atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } ::sumAvg: 4.985 atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } :: atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } ::sumAvg: 4.805 atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } :: atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } ::sumAvg: 4.805 atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } ::sumAvg: 4.72 atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } ::sumAvg: 4.72 atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } :: atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } ::sumAvg: 4.765 atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } :: atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } ::sumAvg: 4.765 atom: 787 74V-HG1 G1 0.862 ambi=2 { CG1:22.438 } atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } :: atom: 788 74V-HG2 G2 0.97 ambi=2 { CG2:22.447 } atom: 540 51V-HB B 2.306 ambi=1 { CB:31.534 } ::sumAvg: 4.795 atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } ::sumAvg: 4.16 atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } :: atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } ::sumAvg: 4.16 atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } :: atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } ::sumAvg: 4.57 atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } :: atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } :: atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } :: atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } ::sumAvg: 4.57 atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } ::sumAvg: 3.945 atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } :: atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } ::sumAvg: 3.945 atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } ::sumAvg: 4.915 atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } :: atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } ::sumAvg: 4.915 atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } ::sumAvg: 4.885 atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } :: atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } ::sumAvg: 4.885 atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } ::sumAvg: 2.95 atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } :: atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } ::sumAvg: 2.95 atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } ::sumAvg: 4.38 atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } :: atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } ::sumAvg: 4.38 atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } ::sumAvg: 4.06 atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } ::sumAvg: 4.01 atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } :: atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } ::sumAvg: 4.89 atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } ::sumAvg: 4.54 atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 785 74V-HA A 3.707 ambi=1 { CA:66.293 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 785 74V-HA A 3.707 ambi=1 { CA:66.293 } ::sumAvg: 4.975 atom: 785 74V-HA A 3.707 ambi=1 { CA:66.293 } atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } :: atom: 785 74V-HA A 3.707 ambi=1 { CA:66.293 } atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } ::sumAvg: 4.975 atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } :: atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } ::sumAvg: 4.86 atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } :: atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } ::sumAvg: 4.86 atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } ::sumAvg: 3.525 atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } atom: 549 52K-H N 9.379 ambi=1 { N:129.475 } ::sumAvg: 2.605 atom: 553 52K-HG2 G 1.434 ambi=2 { CG:24.515 } atom: 549 52K-H N 9.379 ambi=1 { N:129.475 } :: atom: 554 52K-HG3 G 1.238 ambi=2 { CG:24.515 } atom: 549 52K-H N 9.379 ambi=1 { N:129.475 } ::sumAvg: 4.395 atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 549 52K-H N 9.379 ambi=1 { N:129.475 } ::sumAvg: 4.92 atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } atom: 549 52K-H N 9.379 ambi=1 { N:129.475 } :: atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } atom: 549 52K-H N 9.379 ambi=1 { N:129.475 } ::sumAvg: 4.94 atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } atom: 549 52K-H N 9.379 ambi=1 { N:129.475 } :: atom: 709 66E-HG3 G 2.051 ambi=2 { CG:35.198 } atom: 549 52K-H N 9.379 ambi=1 { N:129.475 } ::sumAvg: 4.22 atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } :: atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } ::sumAvg: 2.495 atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } :: atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } ::sumAvg: 2.495 atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } atom: 553 52K-HG2 G 1.434 ambi=2 { CG:24.515 } :: atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } atom: 554 52K-HG3 G 1.238 ambi=2 { CG:24.515 } ::sumAvg: 2.48 atom: 553 52K-HG2 G 1.434 ambi=2 { CG:24.515 } atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } :: atom: 554 52K-HG3 G 1.238 ambi=2 { CG:24.515 } atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } ::sumAvg: 2.48 atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } atom: 555 52K-HD2 D 1.666 ambi=2 { CD:29.438 } ::sumAvg: 4.205 atom: 555 52K-HD2 D 1.666 ambi=2 { CD:29.438 } atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } ::sumAvg: 4.205 atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } atom: 556 52K-HE2 E 2.993 ambi=2 { CE:41.825 } ::sumAvg: 4.03 atom: 556 52K-HE2 E 2.993 ambi=2 { CE:41.825 } atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } ::sumAvg: 4.03 atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } atom: 564 53S-H N 7.655 ambi=1 { N:108.885 } ::sumAvg: 3.545 atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } ::sumAvg: 4.69 atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } ::sumAvg: 4.69 atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } atom: 566 53S-HB2 B 3.881 ambi=2 { CB:64.653 } :: atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } atom: 567 53S-HB3 B 3.767 ambi=2 { CB:64.653 } ::sumAvg: 4.775 atom: 566 53S-HB2 B 3.881 ambi=2 { CB:64.653 } atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } :: atom: 567 53S-HB3 B 3.767 ambi=2 { CB:64.653 } atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } ::sumAvg: 4.775 atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } ::sumAvg: 4.69 atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } ::sumAvg: 4.69 atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } :: atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } atom: 709 66E-HG3 G 2.051 ambi=2 { CG:35.198 } ::sumAvg: 4.115 atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } :: atom: 709 66E-HG3 G 2.051 ambi=2 { CG:35.198 } atom: 550 52K-HA A 4.481 ambi=1 { CA:57.163 } ::sumAvg: 4.115 atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } atom: 556 52K-HE2 E 2.993 ambi=2 { CE:41.825 } :: atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } atom: 556 52K-HE2 E 2.993 ambi=2 { CE:41.825 } ::sumAvg: 3.065 atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } :: atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } ::sumAvg: 4.835 atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } :: atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } ::sumAvg: 4.835 atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } atom: 566 53S-HB2 B 3.881 ambi=2 { CB:64.653 } :: atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } atom: 567 53S-HB3 B 3.767 ambi=2 { CB:64.653 } :: atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } atom: 566 53S-HB2 B 3.881 ambi=2 { CB:64.653 } :: atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } atom: 567 53S-HB3 B 3.767 ambi=2 { CB:64.653 } ::sumAvg: 4.185 atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } :: atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } ::sumAvg: 4.665 atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } :: atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } ::sumAvg: 4.825 atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } :: atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } ::sumAvg: 4.825 atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } atom: 687 65K-H N 9.071 ambi=1 { N:120.964 } :: atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } atom: 687 65K-H N 9.071 ambi=1 { N:120.964 } ::sumAvg: 3.975 atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } :: atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } ::sumAvg: 2.865 atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } :: atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } ::sumAvg: 2.865 atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } :: atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } ::sumAvg: 4.985 atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } :: atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } ::sumAvg: 4.985 atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } atom: 704 66E-H N 8.282 ambi=1 { N:118.741 } :: atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } atom: 704 66E-H N 8.282 ambi=1 { N:118.741 } ::sumAvg: 3.72 atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } :: atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } ::sumAvg: 3.47 atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } :: atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } ::sumAvg: 3.47 atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } atom: 706 66E-HB2 B 2.186 ambi=2 { CB:30.121 } :: atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } atom: 706 66E-HB2 B 2.186 ambi=2 { CB:30.121 } ::sumAvg: 4.885 atom: 706 66E-HB2 B 2.186 ambi=2 { CB:30.121 } atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } :: atom: 706 66E-HB2 B 2.186 ambi=2 { CB:30.121 } atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } ::sumAvg: 4.885 atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } :: atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } atom: 709 66E-HG3 G 2.051 ambi=2 { CG:35.198 } :: atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } :: atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } atom: 709 66E-HG3 G 2.051 ambi=2 { CG:35.198 } ::sumAvg: 3.32 atom: 553 52K-HG2 G 1.434 ambi=2 { CG:24.515 } atom: 564 53S-H N 7.655 ambi=1 { N:108.885 } :: atom: 554 52K-HG3 G 1.238 ambi=2 { CG:24.515 } atom: 564 53S-H N 7.655 ambi=1 { N:108.885 } ::sumAvg: 3.415 atom: 553 52K-HG2 G 1.434 ambi=2 { CG:24.515 } atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } :: atom: 554 52K-HG3 G 1.238 ambi=2 { CG:24.515 } atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } ::sumAvg: 4.695 atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 553 52K-HG2 G 1.434 ambi=2 { CG:24.515 } :: atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 554 52K-HG3 G 1.238 ambi=2 { CG:24.515 } ::sumAvg: 4.695 atom: 553 52K-HG2 G 1.434 ambi=2 { CG:24.515 } atom: 681 64D-HB2 B 2.429 ambi=2 { CB:41.773 } :: atom: 553 52K-HG2 G 1.434 ambi=2 { CG:24.515 } atom: 682 64D-HB3 B 2.828 ambi=2 { CB:41.773 } :: atom: 554 52K-HG3 G 1.238 ambi=2 { CG:24.515 } atom: 681 64D-HB2 B 2.429 ambi=2 { CB:41.773 } :: atom: 554 52K-HG3 G 1.238 ambi=2 { CG:24.515 } atom: 682 64D-HB3 B 2.828 ambi=2 { CB:41.773 } ::sumAvg: 3.875 atom: 553 52K-HG2 G 1.434 ambi=2 { CG:24.515 } atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } :: atom: 553 52K-HG2 G 1.434 ambi=2 { CG:24.515 } atom: 709 66E-HG3 G 2.051 ambi=2 { CG:35.198 } :: atom: 554 52K-HG3 G 1.238 ambi=2 { CG:24.515 } atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } :: atom: 554 52K-HG3 G 1.238 ambi=2 { CG:24.515 } atom: 709 66E-HG3 G 2.051 ambi=2 { CG:35.198 } ::sumAvg: 4.34 atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } atom: 553 52K-HG2 G 1.434 ambi=2 { CG:24.515 } :: atom: 709 66E-HG3 G 2.051 ambi=2 { CG:35.198 } atom: 553 52K-HG2 G 1.434 ambi=2 { CG:24.515 } :: atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } atom: 554 52K-HG3 G 1.238 ambi=2 { CG:24.515 } :: atom: 709 66E-HG3 G 2.051 ambi=2 { CG:35.198 } atom: 554 52K-HG3 G 1.238 ambi=2 { CG:24.515 } ::sumAvg: 4.34 atom: 556 52K-HE2 E 2.993 ambi=2 { CE:41.825 } atom: 555 52K-HD2 D 1.666 ambi=2 { CD:29.438 } ::sumAvg: 2.365 atom: 555 52K-HD2 D 1.666 ambi=2 { CD:29.438 } atom: 564 53S-H N 7.655 ambi=1 { N:108.885 } ::sumAvg: 4.86 atom: 555 52K-HD2 D 1.666 ambi=2 { CD:29.438 } atom: 566 53S-HB2 B 3.881 ambi=2 { CB:64.653 } :: atom: 555 52K-HD2 D 1.666 ambi=2 { CD:29.438 } atom: 567 53S-HB3 B 3.767 ambi=2 { CB:64.653 } ::sumAvg: 4.565 atom: 566 53S-HB2 B 3.881 ambi=2 { CB:64.653 } atom: 555 52K-HD2 D 1.666 ambi=2 { CD:29.438 } :: atom: 567 53S-HB3 B 3.767 ambi=2 { CB:64.653 } atom: 555 52K-HD2 D 1.666 ambi=2 { CD:29.438 } ::sumAvg: 4.565 atom: 555 52K-HD2 D 1.666 ambi=2 { CD:29.438 } atom: 681 64D-HB2 B 2.429 ambi=2 { CB:41.773 } :: atom: 555 52K-HD2 D 1.666 ambi=2 { CD:29.438 } atom: 682 64D-HB3 B 2.828 ambi=2 { CB:41.773 } ::sumAvg: 4.45 atom: 555 52K-HD2 D 1.666 ambi=2 { CD:29.438 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } ::sumAvg: 4.955 atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } atom: 555 52K-HD2 D 1.666 ambi=2 { CD:29.438 } ::sumAvg: 4.955 atom: 555 52K-HD2 D 1.666 ambi=2 { CD:29.438 } atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } ::sumAvg: 4.25 atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } atom: 555 52K-HD2 D 1.666 ambi=2 { CD:29.438 } ::sumAvg: 4.25 atom: 555 52K-HD2 D 1.666 ambi=2 { CD:29.438 } atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } ::sumAvg: 4.28 atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } atom: 555 52K-HD2 D 1.666 ambi=2 { CD:29.438 } ::sumAvg: 4.28 atom: 681 64D-HB2 B 2.429 ambi=2 { CB:41.773 } atom: 556 52K-HE2 E 2.993 ambi=2 { CE:41.825 } ::sumAvg: 4.015 atom: 556 52K-HE2 E 2.993 ambi=2 { CE:41.825 } atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } ::sumAvg: 3.56 atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } atom: 556 52K-HE2 E 2.993 ambi=2 { CE:41.825 } ::sumAvg: 3.56 atom: 556 52K-HE2 E 2.993 ambi=2 { CE:41.825 } atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } :: atom: 556 52K-HE2 E 2.993 ambi=2 { CE:41.825 } atom: 709 66E-HG3 G 2.051 ambi=2 { CG:35.198 } ::sumAvg: 4.195 atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } atom: 556 52K-HE2 E 2.993 ambi=2 { CE:41.825 } :: atom: 709 66E-HG3 G 2.051 ambi=2 { CG:35.198 } atom: 556 52K-HE2 E 2.993 ambi=2 { CE:41.825 } ::sumAvg: 4.195 atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 564 53S-H N 7.655 ambi=1 { N:108.885 } ::sumAvg: 2.85 atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 564 53S-H N 7.655 ambi=1 { N:108.885 } ::sumAvg: 4.695 atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 564 53S-H N 7.655 ambi=1 { N:108.885 } :: atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } atom: 564 53S-H N 7.655 ambi=1 { N:108.885 } ::sumAvg: 4.185 atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 564 53S-H N 7.655 ambi=1 { N:108.885 } ::sumAvg: 4.995 atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } atom: 564 53S-H N 7.655 ambi=1 { N:108.885 } ::sumAvg: 4.94 atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } atom: 564 53S-H N 7.655 ambi=1 { N:108.885 } ::sumAvg: 4.07 atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 566 53S-HB2 B 3.881 ambi=2 { CB:64.653 } :: atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 567 53S-HB3 B 3.767 ambi=2 { CB:64.653 } ::sumAvg: 2.395 atom: 566 53S-HB2 B 3.881 ambi=2 { CB:64.653 } atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } :: atom: 567 53S-HB3 B 3.767 ambi=2 { CB:64.653 } atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } ::sumAvg: 2.395 atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 572 54I-H N 8.783 ambi=1 { N:119.458 } ::sumAvg: 2.505 atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } ::sumAvg: 4.53 atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } ::sumAvg: 4.53 atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } :: atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } ::sumAvg: 3.36 atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } :: atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } ::sumAvg: 3.36 atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } ::sumAvg: 4.61 atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } ::sumAvg: 4.61 atom: 566 53S-HB2 B 3.881 ambi=2 { CB:64.653 } atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } :: atom: 567 53S-HB3 B 3.767 ambi=2 { CB:64.653 } atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } ::sumAvg: 4.59 atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 566 53S-HB2 B 3.881 ambi=2 { CB:64.653 } :: atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 567 53S-HB3 B 3.767 ambi=2 { CB:64.653 } ::sumAvg: 4.59 atom: 566 53S-HB2 B 3.881 ambi=2 { CB:64.653 } atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } :: atom: 567 53S-HB3 B 3.767 ambi=2 { CB:64.653 } atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } ::sumAvg: 4.96 atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 572 54I-H N 8.783 ambi=1 { N:119.458 } ::sumAvg: 2.94 atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 572 54I-H N 8.783 ambi=1 { N:119.458 } :: atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } atom: 572 54I-H N 8.783 ambi=1 { N:119.458 } ::sumAvg: 3.065 atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } atom: 572 54I-H N 8.783 ambi=1 { N:119.458 } ::sumAvg: 4.165 atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } ::sumAvg: 3.025 atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } ::sumAvg: 3.025 atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } :: atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } ::sumAvg: 2.54 atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } :: atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } ::sumAvg: 2.54 atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } ::sumAvg: 2.355 atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } ::sumAvg: 3.81 atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } ::sumAvg: 3.81 atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 586 55F-H N 9.142 ambi=1 { N:129.664 } ::sumAvg: 2.25 atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } ::sumAvg: 4.45 atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } ::sumAvg: 4.45 atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 588 55F-HB2 B 3.256 ambi=2 { CB:41.641 } :: atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 589 55F-HB3 B 3.159 ambi=2 { CB:41.641 } ::sumAvg: 4.31 atom: 588 55F-HB2 B 3.256 ambi=2 { CB:41.641 } atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } :: atom: 589 55F-HB3 B 3.159 ambi=2 { CB:41.641 } atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } ::sumAvg: 4.31 atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } ::sumAvg: 4.065 atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } ::sumAvg: 4.065 atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } ::sumAvg: 4.91 atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } ::sumAvg: 4.79 atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } ::sumAvg: 4.79 atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } :: atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } ::sumAvg: 3.64 atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } :: atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } ::sumAvg: 3.64 atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } ::sumAvg: 3.055 atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } ::sumAvg: 2.505 atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } atom: 586 55F-H N 9.142 ambi=1 { N:129.664 } ::sumAvg: 3.865 atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } ::sumAvg: 4.64 atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } ::sumAvg: 4.64 atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } ::sumAvg: 4.305 atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } ::sumAvg: 4.305 atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } ::sumAvg: 4.995 atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } ::sumAvg: 4.995 atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } :: atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } ::sumAvg: 4.71 atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } :: atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } atom: 574 54I-HB B 1.846 ambi=1 { CB:44.277 } ::sumAvg: 4.71 atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } ::sumAvg: 2.345 atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 586 55F-H N 9.142 ambi=1 { N:129.664 } :: atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } atom: 586 55F-H N 9.142 ambi=1 { N:129.664 } ::sumAvg: 4.15 atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } ::sumAvg: 4.045 atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } :: atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } ::sumAvg: 2.675 atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } :: atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } ::sumAvg: 2.675 atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } :: atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } ::sumAvg: 4.78 atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } :: atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } ::sumAvg: 4.78 atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } :: atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } ::sumAvg: 2.345 atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } :: atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } ::sumAvg: 2.345 atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } :: atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } ::sumAvg: 4 atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } ::sumAvg: 3.445 atom: 588 55F-HB2 B 3.256 ambi=2 { CB:41.641 } atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } :: atom: 589 55F-HB3 B 3.159 ambi=2 { CB:41.641 } atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } ::sumAvg: 4.365 atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } ::sumAvg: 4.085 atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } ::sumAvg: 4.085 atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } atom: 649 61I-HG12 G1 2.033 ambi=2 { CG1:25.725 } ::sumAvg: 4.365 atom: 649 61I-HG12 G1 2.033 ambi=2 { CG1:25.725 } atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } ::sumAvg: 4.365 atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } ::sumAvg: 4.88 atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } ::sumAvg: 4.48 atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } ::sumAvg: 4.48 atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } ::sumAvg: 4.625 atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } ::sumAvg: 3.19 atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } ::sumAvg: 3.19 atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } ::sumAvg: 4.95 atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } ::sumAvg: 4.95 atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } ::sumAvg: 4.665 atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } ::sumAvg: 4.245 atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } ::sumAvg: 4.245 atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } atom: 586 55F-H N 9.142 ambi=1 { N:129.664 } ::sumAvg: 4.34 atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } atom: 586 55F-H N 9.142 ambi=1 { N:129.664 } ::sumAvg: 4.635 atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } atom: 586 55F-H N 9.142 ambi=1 { N:129.664 } ::sumAvg: 4.685 atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } atom: 586 55F-H N 9.142 ambi=1 { N:129.664 } ::sumAvg: 2.92 atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } atom: 586 55F-H N 9.142 ambi=1 { N:129.664 } ::sumAvg: 4.775 atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 586 55F-H N 9.142 ambi=1 { N:129.664 } ::sumAvg: 3.79 atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } ::sumAvg: 4.44 atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } ::sumAvg: 4.44 atom: 598 56H-HB2 B 3.239 ambi=2 { CB:37.218 } atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } :: atom: 599 56H-HB3 B 2.67 ambi=2 { CB:37.218 } atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } ::sumAvg: 4.495 atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } ::sumAvg: 4.435 atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } ::sumAvg: 4.435 atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } ::sumAvg: 4.735 atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } ::sumAvg: 4.92 atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } ::sumAvg: 4.92 atom: 588 55F-HB2 B 3.256 ambi=2 { CB:41.641 } atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } :: atom: 589 55F-HB3 B 3.159 ambi=2 { CB:41.641 } atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } ::sumAvg: 4.42 atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } atom: 588 55F-HB2 B 3.256 ambi=2 { CB:41.641 } :: atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } atom: 589 55F-HB3 B 3.159 ambi=2 { CB:41.641 } ::sumAvg: 4.42 atom: 588 55F-HB2 B 3.256 ambi=2 { CB:41.641 } atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } :: atom: 589 55F-HB3 B 3.159 ambi=2 { CB:41.641 } atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } ::sumAvg: 4.325 atom: 588 55F-HB2 B 3.256 ambi=2 { CB:41.641 } atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } :: atom: 589 55F-HB3 B 3.159 ambi=2 { CB:41.641 } atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } ::sumAvg: 4.97 atom: 588 55F-HB2 B 3.256 ambi=2 { CB:41.641 } atom: 609 57V-HG1 G1 0.278 ambi=2 { CG1:21.368 } :: atom: 588 55F-HB2 B 3.256 ambi=2 { CB:41.641 } atom: 610 57V-HG2 G2 0.787 ambi=2 { CG2:22.132 } :: atom: 589 55F-HB3 B 3.159 ambi=2 { CB:41.641 } atom: 609 57V-HG1 G1 0.278 ambi=2 { CG1:21.368 } :: atom: 589 55F-HB3 B 3.159 ambi=2 { CB:41.641 } atom: 610 57V-HG2 G2 0.787 ambi=2 { CG2:22.132 } ::sumAvg: 4.68 atom: 609 57V-HG1 G1 0.278 ambi=2 { CG1:21.368 } atom: 588 55F-HB2 B 3.256 ambi=2 { CB:41.641 } :: atom: 610 57V-HG2 G2 0.787 ambi=2 { CG2:22.132 } atom: 588 55F-HB2 B 3.256 ambi=2 { CB:41.641 } :: atom: 609 57V-HG1 G1 0.278 ambi=2 { CG1:21.368 } atom: 589 55F-HB3 B 3.159 ambi=2 { CB:41.641 } :: atom: 610 57V-HG2 G2 0.787 ambi=2 { CG2:22.132 } atom: 589 55F-HB3 B 3.159 ambi=2 { CB:41.641 } ::sumAvg: 4.68 atom: 588 55F-HB2 B 3.256 ambi=2 { CB:41.641 } atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } :: atom: 589 55F-HB3 B 3.159 ambi=2 { CB:41.641 } atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } ::sumAvg: 4.57 atom: 588 55F-HB2 B 3.256 ambi=2 { CB:41.641 } atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } :: atom: 589 55F-HB3 B 3.159 ambi=2 { CB:41.641 } atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } ::sumAvg: 3.315 atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } atom: 588 55F-HB2 B 3.256 ambi=2 { CB:41.641 } :: atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } atom: 589 55F-HB3 B 3.159 ambi=2 { CB:41.641 } ::sumAvg: 4.975 atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } atom: 5904 55F-HZ Z 6.775 ambi=1 { CZ:130.724 } ::sumAvg: 3.82 atom: 5904 55F-HZ Z 6.775 ambi=1 { CZ:130.724 } atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } ::sumAvg: 3.82 atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } ::sumAvg: 4.585 atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } ::sumAvg: 4.585 atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } atom: 606 57V-H N 8.072 ambi=1 { N:127.671 } ::sumAvg: 4.95 atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } atom: 608 57V-HB B 1.217 ambi=1 { CB:34.14 } ::sumAvg: 3.58 atom: 608 57V-HB B 1.217 ambi=1 { CB:34.14 } atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } ::sumAvg: 3.58 atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } atom: 609 57V-HG1 G1 0.278 ambi=2 { CG1:21.368 } :: atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } atom: 610 57V-HG2 G2 0.787 ambi=2 { CG2:22.132 } ::sumAvg: 3.135 atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } ::sumAvg: 3.98 atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } ::sumAvg: 4.625 atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } atom: 607 57V-HA A 3.774 ambi=1 { CA:60.176 } ::sumAvg: 4.81 atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } atom: 608 57V-HB B 1.217 ambi=1 { CB:34.14 } ::sumAvg: 2.65 atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } ::sumAvg: 4.83 atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } ::sumAvg: 4.83 atom: 5904 55F-HZ Z 6.775 ambi=1 { CZ:130.724 } atom: 608 57V-HB B 1.217 ambi=1 { CB:34.14 } ::sumAvg: 3.27 atom: 608 57V-HB B 1.217 ambi=1 { CB:34.14 } atom: 5904 55F-HZ Z 6.775 ambi=1 { CZ:130.724 } ::sumAvg: 3.27 atom: 609 57V-HG1 G1 0.278 ambi=2 { CG1:21.368 } atom: 5904 55F-HZ Z 6.775 ambi=1 { CZ:130.724 } :: atom: 610 57V-HG2 G2 0.787 ambi=2 { CG2:22.132 } atom: 5904 55F-HZ Z 6.775 ambi=1 { CZ:130.724 } ::sumAvg: 3.19 atom: 608 57V-HB B 1.217 ambi=1 { CB:34.14 } atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } ::sumAvg: 4.815 atom: 609 57V-HG1 G1 0.278 ambi=2 { CG1:21.368 } atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } :: atom: 610 57V-HG2 G2 0.787 ambi=2 { CG2:22.132 } atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } ::sumAvg: 4.975 atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } ::sumAvg: 4.975 atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } ::sumAvg: 3.84 atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } atom: 607 57V-HA A 3.774 ambi=1 { CA:60.176 } ::sumAvg: 4.455 atom: 607 57V-HA A 3.774 ambi=1 { CA:60.176 } atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } ::sumAvg: 4.455 atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } atom: 608 57V-HB B 1.217 ambi=1 { CB:34.14 } ::sumAvg: 4.44 atom: 608 57V-HB B 1.217 ambi=1 { CB:34.14 } atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } ::sumAvg: 4.44 atom: 609 57V-HG1 G1 0.278 ambi=2 { CG1:21.368 } atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } :: atom: 610 57V-HG2 G2 0.787 ambi=2 { CG2:22.132 } atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } ::sumAvg: 3.795 atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } ::sumAvg: 4.735 atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } ::sumAvg: 4.735 atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } atom: 649 61I-HG12 G1 2.033 ambi=2 { CG1:25.725 } :: atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } atom: 650 61I-HG13 G1 1.27 ambi=2 { CG1:25.725 } ::sumAvg: 2.94 atom: 649 61I-HG12 G1 2.033 ambi=2 { CG1:25.725 } atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } :: atom: 650 61I-HG13 G1 1.27 ambi=2 { CG1:25.725 } atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } ::sumAvg: 2.94 atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } ::sumAvg: 4.19 atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } ::sumAvg: 4.19 atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } ::sumAvg: 3.53 atom: 598 56H-HB2 B 3.239 ambi=2 { CB:37.218 } atom: 600 56H-HD2 D2 7.256 ambi=1 { CD2:118.543 } :: atom: 599 56H-HB3 B 2.67 ambi=2 { CB:37.218 } atom: 600 56H-HD2 D2 7.256 ambi=1 { CD2:118.543 } ::sumAvg: 3.3 atom: 598 56H-HB2 B 3.239 ambi=2 { CB:37.218 } atom: 606 57V-H N 8.072 ambi=1 { N:127.671 } :: atom: 599 56H-HB3 B 2.67 ambi=2 { CB:37.218 } atom: 606 57V-H N 8.072 ambi=1 { N:127.671 } ::sumAvg: 4.035 atom: 598 56H-HB2 B 3.239 ambi=2 { CB:37.218 } atom: 607 57V-HA A 3.774 ambi=1 { CA:60.176 } :: atom: 599 56H-HB3 B 2.67 ambi=2 { CB:37.218 } atom: 607 57V-HA A 3.774 ambi=1 { CA:60.176 } ::sumAvg: 4.62 atom: 607 57V-HA A 3.774 ambi=1 { CA:60.176 } atom: 598 56H-HB2 B 3.239 ambi=2 { CB:37.218 } :: atom: 607 57V-HA A 3.774 ambi=1 { CA:60.176 } atom: 599 56H-HB3 B 2.67 ambi=2 { CB:37.218 } ::sumAvg: 4.62 atom: 598 56H-HB2 B 3.239 ambi=2 { CB:37.218 } atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } :: atom: 599 56H-HB3 B 2.67 ambi=2 { CB:37.218 } atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } ::sumAvg: 4.36 atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } atom: 598 56H-HB2 B 3.239 ambi=2 { CB:37.218 } :: atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } atom: 599 56H-HB3 B 2.67 ambi=2 { CB:37.218 } ::sumAvg: 4.36 atom: 598 56H-HB2 B 3.239 ambi=2 { CB:37.218 } atom: 649 61I-HG12 G1 2.033 ambi=2 { CG1:25.725 } :: atom: 598 56H-HB2 B 3.239 ambi=2 { CB:37.218 } atom: 650 61I-HG13 G1 1.27 ambi=2 { CG1:25.725 } :: atom: 599 56H-HB3 B 2.67 ambi=2 { CB:37.218 } atom: 649 61I-HG12 G1 2.033 ambi=2 { CG1:25.725 } :: atom: 599 56H-HB3 B 2.67 ambi=2 { CB:37.218 } atom: 650 61I-HG13 G1 1.27 ambi=2 { CG1:25.725 } ::sumAvg: 3.255 atom: 598 56H-HB2 B 3.239 ambi=2 { CB:37.218 } atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } :: atom: 599 56H-HB3 B 2.67 ambi=2 { CB:37.218 } atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } ::sumAvg: 4.29 atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } atom: 598 56H-HB2 B 3.239 ambi=2 { CB:37.218 } :: atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } atom: 599 56H-HB3 B 2.67 ambi=2 { CB:37.218 } ::sumAvg: 4.29 atom: 600 56H-HD2 D2 7.256 ambi=1 { CD2:118.543 } atom: 607 57V-HA A 3.774 ambi=1 { CA:60.176 } ::sumAvg: 3.77 atom: 600 56H-HD2 D2 7.256 ambi=1 { CD2:118.543 } atom: 649 61I-HG12 G1 2.033 ambi=2 { CG1:25.725 } :: atom: 600 56H-HD2 D2 7.256 ambi=1 { CD2:118.543 } atom: 650 61I-HG13 G1 1.27 ambi=2 { CG1:25.725 } ::sumAvg: 3.05 atom: 600 56H-HD2 D2 7.256 ambi=1 { CD2:118.543 } atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } ::sumAvg: 4.14 atom: 640 60F-QD D 7.217 ambi=3 { CD1:133.198 } atom: 606 57V-H N 8.072 ambi=1 { N:127.671 } ::sumAvg: 4.63 atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } atom: 606 57V-H N 8.072 ambi=1 { N:127.671 } ::sumAvg: 4.81 atom: 649 61I-HG12 G1 2.033 ambi=2 { CG1:25.725 } atom: 606 57V-H N 8.072 ambi=1 { N:127.671 } :: atom: 650 61I-HG13 G1 1.27 ambi=2 { CG1:25.725 } atom: 606 57V-H N 8.072 ambi=1 { N:127.671 } ::sumAvg: 3.64 atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } atom: 606 57V-H N 8.072 ambi=1 { N:127.671 } ::sumAvg: 4.965 atom: 607 57V-HA A 3.774 ambi=1 { CA:60.176 } atom: 619 58M-HB2 B 2.136 ambi=2 { CB:31.555 } :: atom: 607 57V-HA A 3.774 ambi=1 { CA:60.176 } atom: 620 58M-HB3 B 2.212 ambi=2 { CB:31.555 } ::sumAvg: 4.895 atom: 608 57V-HB B 1.217 ambi=1 { CB:34.14 } atom: 617 58M-H N 9.14 ambi=1 { N:119.988 } ::sumAvg: 3.92 atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } atom: 608 57V-HB B 1.217 ambi=1 { CB:34.14 } ::sumAvg: 4.87 atom: 618 58M-HA A 3.804 ambi=1 { CA:57.73 } atom: 609 57V-HG1 G1 0.278 ambi=2 { CG1:21.368 } :: atom: 618 58M-HA A 3.804 ambi=1 { CA:57.73 } atom: 610 57V-HG2 G2 0.787 ambi=2 { CG2:22.132 } ::sumAvg: 3.585 atom: 609 57V-HG1 G1 0.278 ambi=2 { CG1:21.368 } atom: 628 59D-H N 8.751 ambi=1 { N:122.637 } :: atom: 610 57V-HG2 G2 0.787 ambi=2 { CG2:22.132 } atom: 628 59D-H N 8.751 ambi=1 { N:122.637 } ::sumAvg: 4.305 atom: 609 57V-HG1 G1 0.278 ambi=2 { CG1:21.368 } atom: 636 60F-H N 8.971 ambi=1 { N:115.459 } :: atom: 610 57V-HG2 G2 0.787 ambi=2 { CG2:22.132 } atom: 636 60F-H N 8.971 ambi=1 { N:115.459 } ::sumAvg: 3.78 atom: 609 57V-HG1 G1 0.278 ambi=2 { CG1:21.368 } atom: 6404 60F-HZ Z 7.181 ambi=2 { CZ:129.38 } :: atom: 610 57V-HG2 G2 0.787 ambi=2 { CG2:22.132 } atom: 6404 60F-HZ Z 7.181 ambi=2 { CZ:129.38 } ::sumAvg: 2.315 atom: 609 57V-HG1 G1 0.278 ambi=2 { CG1:21.368 } atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } :: atom: 610 57V-HG2 G2 0.787 ambi=2 { CG2:22.132 } atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } ::sumAvg: 3.915 atom: 609 57V-HG1 G1 0.278 ambi=2 { CG1:21.368 } atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } :: atom: 610 57V-HG2 G2 0.787 ambi=2 { CG2:22.132 } atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } ::sumAvg: 4.3 atom: 609 57V-HG1 G1 0.278 ambi=2 { CG1:21.368 } atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } :: atom: 610 57V-HG2 G2 0.787 ambi=2 { CG2:22.132 } atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } ::sumAvg: 4.435 atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } atom: 609 57V-HG1 G1 0.278 ambi=2 { CG1:21.368 } :: atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } atom: 610 57V-HG2 G2 0.787 ambi=2 { CG2:22.132 } ::sumAvg: 4.435 atom: 619 58M-HB2 B 2.136 ambi=2 { CB:31.555 } atom: 617 58M-H N 9.14 ambi=1 { N:119.988 } :: atom: 620 58M-HB3 B 2.212 ambi=2 { CB:31.555 } atom: 617 58M-H N 9.14 ambi=1 { N:119.988 } ::sumAvg: 2.88 atom: 618 58M-HA A 3.804 ambi=1 { CA:57.73 } atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } ::sumAvg: 4.52 atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } atom: 618 58M-HA A 3.804 ambi=1 { CA:57.73 } ::sumAvg: 4.52 atom: 618 58M-HA A 3.804 ambi=1 { CA:57.73 } atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } :: atom: 618 58M-HA A 3.804 ambi=1 { CA:57.73 } atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } ::sumAvg: 4.71 atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } atom: 618 58M-HA A 3.804 ambi=1 { CA:57.73 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 618 58M-HA A 3.804 ambi=1 { CA:57.73 } ::sumAvg: 4.71 atom: 618 58M-HA A 3.804 ambi=1 { CA:57.73 } atom: 636 60F-H N 8.971 ambi=1 { N:115.459 } ::sumAvg: 4.775 atom: 619 58M-HB2 B 2.136 ambi=2 { CB:31.555 } atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } :: atom: 620 58M-HB3 B 2.212 ambi=2 { CB:31.555 } atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } ::sumAvg: 4.485 atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } atom: 619 58M-HB2 B 2.136 ambi=2 { CB:31.555 } :: atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } atom: 620 58M-HB3 B 2.212 ambi=2 { CB:31.555 } ::sumAvg: 4.485 atom: 619 58M-HB2 B 2.136 ambi=2 { CB:31.555 } atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } :: atom: 620 58M-HB3 B 2.212 ambi=2 { CB:31.555 } atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } ::sumAvg: 4.32 atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 619 58M-HB2 B 2.136 ambi=2 { CB:31.555 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 620 58M-HB3 B 2.212 ambi=2 { CB:31.555 } ::sumAvg: 4.32 atom: 619 58M-HB2 B 2.136 ambi=2 { CB:31.555 } atom: 640 60F-QD D 7.217 ambi=3 { CD1:133.198 } :: atom: 620 58M-HB3 B 2.212 ambi=2 { CB:31.555 } atom: 640 60F-QD D 7.217 ambi=3 { CD1:133.198 } ::sumAvg: 3.405 atom: 621 58M-QG G 2.667 ambi=2 { CG:32.834 } atom: 628 59D-H N 8.751 ambi=1 { N:122.637 } ::sumAvg: 2.095 atom: 621 58M-QG G 2.667 ambi=2 { CG:32.834 } atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } ::sumAvg: 4.12 atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } atom: 621 58M-QG G 2.667 ambi=2 { CG:32.834 } ::sumAvg: 4.12 atom: 621 58M-QG G 2.667 ambi=2 { CG:32.834 } atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } ::sumAvg: 3.83 atom: 621 58M-QG G 2.667 ambi=2 { CG:32.834 } atom: 636 60F-H N 8.971 ambi=1 { N:115.459 } ::sumAvg: 3.7 atom: 621 58M-QG G 2.667 ambi=2 { CG:32.834 } atom: 640 60F-QD D 7.217 ambi=3 { CD1:133.198 } ::sumAvg: 3.14 atom: 640 60F-QD D 7.217 ambi=3 { CD1:133.198 } atom: 621 58M-QG G 2.667 ambi=2 { CG:32.834 } ::sumAvg: 3.14 atom: 621 58M-QG G 2.667 ambi=2 { CG:32.834 } atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } ::sumAvg: 3.46 atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } atom: 621 58M-QG G 2.667 ambi=2 { CG:32.834 } ::sumAvg: 3.46 atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } atom: 628 59D-H N 8.751 ambi=1 { N:122.637 } ::sumAvg: 2.94 atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } atom: 628 59D-H N 8.751 ambi=1 { N:122.637 } ::sumAvg: 4.91 atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } atom: 628 59D-H N 8.751 ambi=1 { N:122.637 } :: atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } atom: 628 59D-H N 8.751 ambi=1 { N:122.637 } ::sumAvg: 4.115 atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } atom: 628 59D-H N 8.751 ambi=1 { N:122.637 } ::sumAvg: 4.25 atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } :: atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } ::sumAvg: 2.4 atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } ::sumAvg: 2.4 atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } atom: 636 60F-H N 8.971 ambi=1 { N:115.459 } ::sumAvg: 2.95 atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } ::sumAvg: 4.395 atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } ::sumAvg: 4.395 atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } atom: 640 60F-QD D 7.217 ambi=3 { CD1:133.198 } ::sumAvg: 4.925 atom: 640 60F-QD D 7.217 ambi=3 { CD1:133.198 } atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } ::sumAvg: 4.925 atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } atom: 636 60F-H N 8.971 ambi=1 { N:115.459 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 636 60F-H N 8.971 ambi=1 { N:115.459 } ::sumAvg: 4.445 atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } ::sumAvg: 4.93 atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } :: atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } ::sumAvg: 4.93 atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } :: atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } :: atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } ::sumAvg: 4.825 atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } :: atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } :: atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } ::sumAvg: 4.825 atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } atom: 636 60F-H N 8.971 ambi=1 { N:115.459 } ::sumAvg: 4.515 atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } ::sumAvg: 4.74 atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } ::sumAvg: 4.74 atom: 649 61I-HG12 G1 2.033 ambi=2 { CG1:25.725 } atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } :: atom: 650 61I-HG13 G1 1.27 ambi=2 { CG1:25.725 } atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } ::sumAvg: 3.47 atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } ::sumAvg: 3.675 atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } ::sumAvg: 3.675 atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } :: atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } ::sumAvg: 4.43 atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } :: atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } ::sumAvg: 4.43 atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } :: atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } ::sumAvg: 4.67 atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } :: atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } ::sumAvg: 4.67 atom: 649 61I-HG12 G1 2.033 ambi=2 { CG1:25.725 } atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } :: atom: 650 61I-HG13 G1 1.27 ambi=2 { CG1:25.725 } atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } :: atom: 649 61I-HG12 G1 2.033 ambi=2 { CG1:25.725 } atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } :: atom: 650 61I-HG13 G1 1.27 ambi=2 { CG1:25.725 } atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } ::sumAvg: 4.83 atom: 640 60F-QD D 7.217 ambi=3 { CD1:133.198 } atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } ::sumAvg: 4.975 atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } atom: 640 60F-QD D 7.217 ambi=3 { CD1:133.198 } ::sumAvg: 4.975 atom: 649 61I-HG12 G1 2.033 ambi=2 { CG1:25.725 } atom: 640 60F-QD D 7.217 ambi=3 { CD1:133.198 } :: atom: 650 61I-HG13 G1 1.27 ambi=2 { CG1:25.725 } atom: 640 60F-QD D 7.217 ambi=3 { CD1:133.198 } ::sumAvg: 4.93 atom: 640 60F-QD D 7.217 ambi=3 { CD1:133.198 } atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } ::sumAvg: 4.105 atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } atom: 640 60F-QD D 7.217 ambi=3 { CD1:133.198 } ::sumAvg: 4.105 atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } atom: 640 60F-QD D 7.217 ambi=3 { CD1:133.198 } ::sumAvg: 3.945 atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } ::sumAvg: 4.47 atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } ::sumAvg: 4.47 atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } ::sumAvg: 4.1 atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } ::sumAvg: 4.765 atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } ::sumAvg: 4.765 atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } ::sumAvg: 2.78 atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } ::sumAvg: 4.83 atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } atom: 649 61I-HG12 G1 2.033 ambi=2 { CG1:25.725 } :: atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } atom: 650 61I-HG13 G1 1.27 ambi=2 { CG1:25.725 } ::sumAvg: 2.61 atom: 649 61I-HG12 G1 2.033 ambi=2 { CG1:25.725 } atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } :: atom: 650 61I-HG13 G1 1.27 ambi=2 { CG1:25.725 } atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } ::sumAvg: 2.61 atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } ::sumAvg: 3.655 atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } ::sumAvg: 3.655 atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } ::sumAvg: 4.325 atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } ::sumAvg: 4.325 atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } ::sumAvg: 2.29 atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } ::sumAvg: 4.81 atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } ::sumAvg: 4.81 atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } :: atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } ::sumAvg: 3.53 atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } ::sumAvg: 4.935 atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } ::sumAvg: 4.935 atom: 649 61I-HG12 G1 2.033 ambi=2 { CG1:25.725 } atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } :: atom: 650 61I-HG13 G1 1.27 ambi=2 { CG1:25.725 } atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } ::sumAvg: 4.54 atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } ::sumAvg: 4.01 atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } ::sumAvg: 4.01 atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } ::sumAvg: 4.09 atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } ::sumAvg: 4.09 atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } ::sumAvg: 4.345 atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } ::sumAvg: 4.235 atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } ::sumAvg: 4.235 atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } ::sumAvg: 4.64 atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } ::sumAvg: 4.64 atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } :: atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } ::sumAvg: 4.24 atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } ::sumAvg: 4.44 atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } ::sumAvg: 4.44 atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } ::sumAvg: 4.7 atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } ::sumAvg: 4.7 atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } ::sumAvg: 4.625 atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 662 62S-QB B 4.036 ambi=2 { CB:64.262 } ::sumAvg: 4.625 atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } ::sumAvg: 2.94 atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } ::sumAvg: 4.805 atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } ::sumAvg: 4.56 atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } ::sumAvg: 3.025 atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } ::sumAvg: 3.025 atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } :: atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } ::sumAvg: 2.275 atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } :: atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } ::sumAvg: 2.275 atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } ::sumAvg: 2.145 atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } ::sumAvg: 4.42 atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } ::sumAvg: 4.42 atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 681 64D-HB2 B 2.429 ambi=2 { CB:41.773 } :: atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 682 64D-HB3 B 2.828 ambi=2 { CB:41.773 } ::sumAvg: 4.795 atom: 681 64D-HB2 B 2.429 ambi=2 { CB:41.773 } atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } :: atom: 682 64D-HB3 B 2.828 ambi=2 { CB:41.773 } atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } ::sumAvg: 4.795 atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } ::sumAvg: 4.745 atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } ::sumAvg: 4.745 atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } ::sumAvg: 4.315 atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } ::sumAvg: 4.915 atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } ::sumAvg: 4.915 atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } atom: 7571 71W-HZ2 Z2 7.494 ambi=1 { CZ2:115.95 } ::sumAvg: 4.555 atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } ::sumAvg: 3.79 atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } ::sumAvg: 3.79 atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } :: atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } atom: 670 63V-HB B 2.243 ambi=1 { CB:34.447 } ::sumAvg: 4.705 atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } atom: 681 64D-HB2 B 2.429 ambi=2 { CB:41.773 } :: atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } atom: 682 64D-HB3 B 2.828 ambi=2 { CB:41.773 } :: atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } atom: 681 64D-HB2 B 2.429 ambi=2 { CB:41.773 } :: atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } atom: 682 64D-HB3 B 2.828 ambi=2 { CB:41.773 } ::sumAvg: 4.995 atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } :: atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } ::sumAvg: 4.54 atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } :: atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } ::sumAvg: 3.935 atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } :: atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } ::sumAvg: 4.79 atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } :: atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } ::sumAvg: 4.79 atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } :: atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } ::sumAvg: 4.51 atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } :: atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } ::sumAvg: 4.51 atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } ::sumAvg: 4.97 atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } ::sumAvg: 4.415 atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } ::sumAvg: 4.415 atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } :: atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } ::sumAvg: 4.545 atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } :: atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } ::sumAvg: 4.545 atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } atom: 691 65K-HG2 G 0.968 ambi=2 { CG:22.321 } :: atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } atom: 692 65K-HG3 G 0.746 ambi=2 { CG:22.321 } ::sumAvg: 3.915 atom: 691 65K-HG2 G 0.968 ambi=2 { CG:22.321 } atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } :: atom: 692 65K-HG3 G 0.746 ambi=2 { CG:22.321 } atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } ::sumAvg: 3.915 atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } ::sumAvg: 4.165 atom: 681 64D-HB2 B 2.429 ambi=2 { CB:41.773 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } :: atom: 682 64D-HB3 B 2.828 ambi=2 { CB:41.773 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } ::sumAvg: 4.555 atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } atom: 681 64D-HB2 B 2.429 ambi=2 { CB:41.773 } :: atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } atom: 682 64D-HB3 B 2.828 ambi=2 { CB:41.773 } ::sumAvg: 4.555 atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } atom: 687 65K-H N 9.071 ambi=1 { N:120.964 } :: atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } atom: 687 65K-H N 9.071 ambi=1 { N:120.964 } ::sumAvg: 4.57 atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } atom: 687 65K-H N 9.071 ambi=1 { N:120.964 } ::sumAvg: 4.575 atom: 7571 71W-HZ2 Z2 7.494 ambi=1 { CZ2:115.95 } atom: 687 65K-H N 9.071 ambi=1 { N:120.964 } ::sumAvg: 3.79 atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } atom: 687 65K-H N 9.071 ambi=1 { N:120.964 } ::sumAvg: 4.56 atom: 691 65K-HG2 G 0.968 ambi=2 { CG:22.321 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } :: atom: 692 65K-HG3 G 0.746 ambi=2 { CG:22.321 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } ::sumAvg: 3.61 atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } :: atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } ::sumAvg: 4.595 atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } :: atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } ::sumAvg: 4.595 atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } ::sumAvg: 4.99 atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } ::sumAvg: 4.99 atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } ::sumAvg: 4.34 atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } ::sumAvg: 4.34 atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } atom: 706 66E-HB2 B 2.186 ambi=2 { CB:30.121 } :: atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } atom: 707 66E-HB3 B 1.609 ambi=2 { CB:30.121 } ::sumAvg: 4.98 atom: 706 66E-HB2 B 2.186 ambi=2 { CB:30.121 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } :: atom: 707 66E-HB3 B 1.609 ambi=2 { CB:30.121 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } ::sumAvg: 4.98 atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } :: atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } atom: 709 66E-HG3 G 2.051 ambi=2 { CG:35.198 } ::sumAvg: 4.645 atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } :: atom: 709 66E-HG3 G 2.051 ambi=2 { CG:35.198 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } ::sumAvg: 4.645 atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } ::sumAvg: 4.46 atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } :: atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } ::sumAvg: 3.17 atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } :: atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } ::sumAvg: 3.17 atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } :: atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } ::sumAvg: 4.65 atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } :: atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } ::sumAvg: 4.65 atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } atom: 706 66E-HB2 B 2.186 ambi=2 { CB:30.121 } :: atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } atom: 707 66E-HB3 B 1.609 ambi=2 { CB:30.121 } :: atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } atom: 706 66E-HB2 B 2.186 ambi=2 { CB:30.121 } :: atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } atom: 707 66E-HB3 B 1.609 ambi=2 { CB:30.121 } ::sumAvg: 4.17 atom: 706 66E-HB2 B 2.186 ambi=2 { CB:30.121 } atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } :: atom: 707 66E-HB3 B 1.609 ambi=2 { CB:30.121 } atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } :: atom: 706 66E-HB2 B 2.186 ambi=2 { CB:30.121 } atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } :: atom: 707 66E-HB3 B 1.609 ambi=2 { CB:30.121 } atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } ::sumAvg: 4.17 atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } :: atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } atom: 709 66E-HG3 G 2.051 ambi=2 { CG:35.198 } :: atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } :: atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } atom: 709 66E-HG3 G 2.051 ambi=2 { CG:35.198 } ::sumAvg: 4.77 atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } :: atom: 709 66E-HG3 G 2.051 ambi=2 { CG:35.198 } atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } :: atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } :: atom: 709 66E-HG3 G 2.051 ambi=2 { CG:35.198 } atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } ::sumAvg: 4.77 atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } atom: 7571 71W-HZ2 Z2 7.494 ambi=1 { CZ2:115.95 } :: atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } atom: 7571 71W-HZ2 Z2 7.494 ambi=1 { CZ2:115.95 } ::sumAvg: 4.005 atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } :: atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } ::sumAvg: 3.85 atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } :: atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } ::sumAvg: 4.575 atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } atom: 691 65K-HG2 G 0.968 ambi=2 { CG:22.321 } :: atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } atom: 692 65K-HG3 G 0.746 ambi=2 { CG:22.321 } ::sumAvg: 4.56 atom: 691 65K-HG2 G 0.968 ambi=2 { CG:22.321 } atom: 716 67N-HA A 4.385 ambi=1 { CA:56.903 } :: atom: 692 65K-HG3 G 0.746 ambi=2 { CG:22.321 } atom: 716 67N-HA A 4.385 ambi=1 { CA:56.903 } ::sumAvg: 4.985 atom: 716 67N-HA A 4.385 ambi=1 { CA:56.903 } atom: 691 65K-HG2 G 0.968 ambi=2 { CG:22.321 } :: atom: 716 67N-HA A 4.385 ambi=1 { CA:56.903 } atom: 692 65K-HG3 G 0.746 ambi=2 { CG:22.321 } ::sumAvg: 4.985 atom: 692 65K-HG3 G 0.746 ambi=2 { CG:22.321 } atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } ::sumAvg: 4.46 atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } atom: 692 65K-HG3 G 0.746 ambi=2 { CG:22.321 } ::sumAvg: 4.46 atom: 691 65K-HG2 G 0.968 ambi=2 { CG:22.321 } atom: 757 71W-HE1 E1 9.956 ambi=1 { NE1:127.607 } :: atom: 692 65K-HG3 G 0.746 ambi=2 { CG:22.321 } atom: 757 71W-HE1 E1 9.956 ambi=1 { NE1:127.607 } ::sumAvg: 3.48 atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } atom: 691 65K-HG2 G 0.968 ambi=2 { CG:22.321 } :: atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } atom: 692 65K-HG3 G 0.746 ambi=2 { CG:22.321 } ::sumAvg: 3.76 atom: 691 65K-HG2 G 0.968 ambi=2 { CG:22.321 } atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } :: atom: 692 65K-HG3 G 0.746 ambi=2 { CG:22.321 } atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } ::sumAvg: 4.93 atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } atom: 691 65K-HG2 G 0.968 ambi=2 { CG:22.321 } :: atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } atom: 692 65K-HG3 G 0.746 ambi=2 { CG:22.321 } ::sumAvg: 4.93 atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } atom: 704 66E-H N 8.282 ambi=1 { N:118.741 } :: atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } atom: 704 66E-H N 8.282 ambi=1 { N:118.741 } ::sumAvg: 3.51 atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } atom: 706 66E-HB2 B 2.186 ambi=2 { CB:30.121 } :: atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } atom: 707 66E-HB3 B 1.609 ambi=2 { CB:30.121 } :: atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } atom: 706 66E-HB2 B 2.186 ambi=2 { CB:30.121 } :: atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } atom: 707 66E-HB3 B 1.609 ambi=2 { CB:30.121 } ::sumAvg: 4.77 atom: 706 66E-HB2 B 2.186 ambi=2 { CB:30.121 } atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } :: atom: 707 66E-HB3 B 1.609 ambi=2 { CB:30.121 } atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } :: atom: 706 66E-HB2 B 2.186 ambi=2 { CB:30.121 } atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } :: atom: 707 66E-HB3 B 1.609 ambi=2 { CB:30.121 } atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } ::sumAvg: 4.77 atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } atom: 734 69A-H N 7.131 ambi=1 { N:122.269 } :: atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } atom: 734 69A-H N 7.131 ambi=1 { N:122.269 } ::sumAvg: 4.41 atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } :: atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } ::sumAvg: 4.47 atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } :: atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } ::sumAvg: 4.535 atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } :: atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } ::sumAvg: 4.535 atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } :: atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } ::sumAvg: 4.76 atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } :: atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } ::sumAvg: 4.13 atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } :: atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } ::sumAvg: 4.13 atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } atom: 756 71W-HD1 D1 7.431 ambi=1 { CD1:128.442 } :: atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } atom: 756 71W-HD1 D1 7.431 ambi=1 { CD1:128.442 } ::sumAvg: 4.475 atom: 756 71W-HD1 D1 7.431 ambi=1 { CD1:128.442 } atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } :: atom: 756 71W-HD1 D1 7.431 ambi=1 { CD1:128.442 } atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } ::sumAvg: 4.475 atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } atom: 757 71W-HE1 E1 9.956 ambi=1 { NE1:127.607 } :: atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } atom: 757 71W-HE1 E1 9.956 ambi=1 { NE1:127.607 } ::sumAvg: 4.05 atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } atom: 7571 71W-HZ2 Z2 7.494 ambi=1 { CZ2:115.95 } :: atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } atom: 7571 71W-HZ2 Z2 7.494 ambi=1 { CZ2:115.95 } ::sumAvg: 4.215 atom: 7571 71W-HZ2 Z2 7.494 ambi=1 { CZ2:115.95 } atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } :: atom: 7571 71W-HZ2 Z2 7.494 ambi=1 { CZ2:115.95 } atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } ::sumAvg: 4.215 atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } :: atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } ::sumAvg: 4.56 atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } :: atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } ::sumAvg: 4.56 atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } atom: 7574 71W-HE3 E3 7.477 ambi=1 { CE3:120.27 } :: atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } atom: 7574 71W-HE3 E3 7.477 ambi=1 { CE3:120.27 } ::sumAvg: 4.8 atom: 7574 71W-HE3 E3 7.477 ambi=1 { CE3:120.27 } atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } :: atom: 7574 71W-HE3 E3 7.477 ambi=1 { CE3:120.27 } atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } ::sumAvg: 4.8 atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } atom: 704 66E-H N 8.282 ambi=1 { N:118.741 } ::sumAvg: 4.74 atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } ::sumAvg: 3.755 atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } ::sumAvg: 3.755 atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } ::sumAvg: 4.685 atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } ::sumAvg: 4.085 atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } ::sumAvg: 4.085 atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } ::sumAvg: 4.22 atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } ::sumAvg: 4.61 atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } ::sumAvg: 4.61 atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } atom: 754 71W-HB2 B 3.356 ambi=2 { CB:30.141 } :: atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } atom: 755 71W-HB3 B 3.273 ambi=2 { CB:30.141 } ::sumAvg: 4.59 atom: 754 71W-HB2 B 3.356 ambi=2 { CB:30.141 } atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } :: atom: 755 71W-HB3 B 3.273 ambi=2 { CB:30.141 } atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } ::sumAvg: 4.59 atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } ::sumAvg: 4.86 atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } ::sumAvg: 4.86 atom: 7574 71W-HE3 E3 7.477 ambi=1 { CE3:120.27 } atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } ::sumAvg: 4.98 atom: 787 74V-HG1 G1 0.862 ambi=2 { CG1:22.438 } atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } :: atom: 788 74V-HG2 G2 0.97 ambi=2 { CG2:22.447 } atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } ::sumAvg: 4.975 atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } :: atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } atom: 709 66E-HG3 G 2.051 ambi=2 { CG:35.198 } ::sumAvg: 2.445 atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } ::sumAvg: 4.485 atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } ::sumAvg: 4.485 atom: 706 66E-HB2 B 2.186 ambi=2 { CB:30.121 } atom: 715 67N-H N 9.071 ambi=1 { N:122.06 } :: atom: 707 66E-HB3 B 1.609 ambi=2 { CB:30.121 } atom: 715 67N-H N 9.071 ambi=1 { N:122.06 } ::sumAvg: 2.62 atom: 706 66E-HB2 B 2.186 ambi=2 { CB:30.121 } atom: 716 67N-HA A 4.385 ambi=1 { CA:56.903 } :: atom: 707 66E-HB3 B 1.609 ambi=2 { CB:30.121 } atom: 716 67N-HA A 4.385 ambi=1 { CA:56.903 } ::sumAvg: 4.885 atom: 728 68D-HB2 B 2.66 ambi=2 { CB:40.124 } atom: 706 66E-HB2 B 2.186 ambi=2 { CB:30.121 } :: atom: 729 68D-HB3 B 2.672 ambi=2 { CB:40.124 } atom: 706 66E-HB2 B 2.186 ambi=2 { CB:30.121 } :: atom: 728 68D-HB2 B 2.66 ambi=2 { CB:40.124 } atom: 707 66E-HB3 B 1.609 ambi=2 { CB:30.121 } :: atom: 729 68D-HB3 B 2.672 ambi=2 { CB:40.124 } atom: 707 66E-HB3 B 1.609 ambi=2 { CB:30.121 } ::sumAvg: 4.63 atom: 706 66E-HB2 B 2.186 ambi=2 { CB:30.121 } atom: 735 69A-HA A 4.433 ambi=1 { CA:51.014 } :: atom: 707 66E-HB3 B 1.609 ambi=2 { CB:30.121 } atom: 735 69A-HA A 4.433 ambi=1 { CA:51.014 } ::sumAvg: 4.385 atom: 735 69A-HA A 4.433 ambi=1 { CA:51.014 } atom: 706 66E-HB2 B 2.186 ambi=2 { CB:30.121 } :: atom: 735 69A-HA A 4.433 ambi=1 { CA:51.014 } atom: 707 66E-HB3 B 1.609 ambi=2 { CB:30.121 } ::sumAvg: 4.385 atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } atom: 715 67N-H N 9.071 ambi=1 { N:122.06 } :: atom: 709 66E-HG3 G 2.051 ambi=2 { CG:35.198 } atom: 715 67N-H N 9.071 ambi=1 { N:122.06 } ::sumAvg: 3.775 atom: 716 67N-HA A 4.385 ambi=1 { CA:56.903 } atom: 715 67N-H N 9.071 ambi=1 { N:122.06 } ::sumAvg: 2.785 atom: 716 67N-HA A 4.385 ambi=1 { CA:56.903 } atom: 718 67N-QB B 2.779 ambi=2 { CB:39.018 } ::sumAvg: 2.305 atom: 716 67N-HA A 4.385 ambi=1 { CA:56.903 } atom: 726 68D-H N 8.322 ambi=1 { N:112.268 } ::sumAvg: 3.505 atom: 716 67N-HA A 4.385 ambi=1 { CA:56.903 } atom: 734 69A-H N 7.131 ambi=1 { N:122.269 } ::sumAvg: 4.855 atom: 718 67N-QB B 2.779 ambi=2 { CB:39.018 } atom: 727 68D-HA A 4.527 ambi=1 { CA:53.915 } ::sumAvg: 4.165 atom: 727 68D-HA A 4.527 ambi=1 { CA:53.915 } atom: 718 67N-QB B 2.779 ambi=2 { CB:39.018 } ::sumAvg: 4.165 atom: 718 67N-QB B 2.779 ambi=2 { CB:39.018 } atom: 734 69A-H N 7.131 ambi=1 { N:122.269 } ::sumAvg: 4.35 atom: 727 68D-HA A 4.527 ambi=1 { CA:53.915 } atom: 726 68D-H N 8.322 ambi=1 { N:112.268 } ::sumAvg: 2.85 atom: 735 69A-HA A 4.433 ambi=1 { CA:51.014 } atom: 726 68D-H N 8.322 ambi=1 { N:112.268 } ::sumAvg: 4.74 atom: 727 68D-HA A 4.527 ambi=1 { CA:53.915 } atom: 728 68D-HB2 B 2.66 ambi=2 { CB:40.124 } :: atom: 727 68D-HA A 4.527 ambi=1 { CA:53.915 } atom: 729 68D-HB3 B 2.672 ambi=2 { CB:40.124 } ::sumAvg: 2.465 atom: 727 68D-HA A 4.527 ambi=1 { CA:53.915 } atom: 734 69A-H N 7.131 ambi=1 { N:122.269 } ::sumAvg: 3.54 atom: 727 68D-HA A 4.527 ambi=1 { CA:53.915 } atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } ::sumAvg: 4.6 atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } atom: 727 68D-HA A 4.527 ambi=1 { CA:53.915 } ::sumAvg: 4.6 atom: 728 68D-HB2 B 2.66 ambi=2 { CB:40.124 } atom: 735 69A-HA A 4.433 ambi=1 { CA:51.014 } :: atom: 729 68D-HB3 B 2.672 ambi=2 { CB:40.124 } atom: 735 69A-HA A 4.433 ambi=1 { CA:51.014 } ::sumAvg: 4.62 atom: 735 69A-HA A 4.433 ambi=1 { CA:51.014 } atom: 728 68D-HB2 B 2.66 ambi=2 { CB:40.124 } :: atom: 735 69A-HA A 4.433 ambi=1 { CA:51.014 } atom: 729 68D-HB3 B 2.672 ambi=2 { CB:40.124 } ::sumAvg: 4.62 atom: 728 68D-HB2 B 2.66 ambi=2 { CB:40.124 } atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } :: atom: 729 68D-HB3 B 2.672 ambi=2 { CB:40.124 } atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } ::sumAvg: 4.305 atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } atom: 728 68D-HB2 B 2.66 ambi=2 { CB:40.124 } :: atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } atom: 729 68D-HB3 B 2.672 ambi=2 { CB:40.124 } ::sumAvg: 4.305 atom: 735 69A-HA A 4.433 ambi=1 { CA:51.014 } atom: 734 69A-H N 7.131 ambi=1 { N:122.269 } ::sumAvg: 2.61 atom: 735 69A-HA A 4.433 ambi=1 { CA:51.014 } atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } ::sumAvg: 2.115 atom: 735 69A-HA A 4.433 ambi=1 { CA:51.014 } atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } ::sumAvg: 2.74 atom: 735 69A-HA A 4.433 ambi=1 { CA:51.014 } atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } ::sumAvg: 4.51 atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } atom: 735 69A-HA A 4.433 ambi=1 { CA:51.014 } ::sumAvg: 4.51 atom: 735 69A-HA A 4.433 ambi=1 { CA:51.014 } atom: 743 70N-HB2 B 2.861 ambi=2 { CB:41.143 } :: atom: 735 69A-HA A 4.433 ambi=1 { CA:51.014 } atom: 744 70N-HB3 B 2.952 ambi=2 { CB:41.143 } ::sumAvg: 4.63 atom: 743 70N-HB2 B 2.861 ambi=2 { CB:41.143 } atom: 735 69A-HA A 4.433 ambi=1 { CA:51.014 } :: atom: 744 70N-HB3 B 2.952 ambi=2 { CB:41.143 } atom: 735 69A-HA A 4.433 ambi=1 { CA:51.014 } ::sumAvg: 4.63 atom: 735 69A-HA A 4.433 ambi=1 { CA:51.014 } atom: 745 70N-HD21 D2 7.759 ambi=1 { ND2:114.632 } ::sumAvg: 4.835 atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } ::sumAvg: 3.955 atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } ::sumAvg: 3.955 atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } atom: 743 70N-HB2 B 2.861 ambi=2 { CB:41.143 } :: atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } atom: 744 70N-HB3 B 2.952 ambi=2 { CB:41.143 } ::sumAvg: 4.365 atom: 743 70N-HB2 B 2.861 ambi=2 { CB:41.143 } atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } :: atom: 744 70N-HB3 B 2.952 ambi=2 { CB:41.143 } atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } ::sumAvg: 4.365 atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } ::sumAvg: 4.96 atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } ::sumAvg: 4.61 atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } ::sumAvg: 4.61 atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } atom: 787 74V-HG1 G1 0.862 ambi=2 { CG1:22.438 } ::sumAvg: 3.715 atom: 787 74V-HG1 G1 0.862 ambi=2 { CG1:22.438 } atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } ::sumAvg: 3.715 atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } ::sumAvg: 4.9 atom: 777 73T-HB B 4.352 ambi=1 { CB:69.156 } atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } ::sumAvg: 4.21 atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } ::sumAvg: 3.525 atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } ::sumAvg: 4.665 atom: 743 70N-HB2 B 2.861 ambi=2 { CB:41.143 } atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } :: atom: 744 70N-HB3 B 2.952 ambi=2 { CB:41.143 } atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } ::sumAvg: 2.42 atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } atom: 745 70N-HD21 D2 7.759 ambi=1 { ND2:114.632 } :: atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } atom: 746 70N-HD22 D2 7.019 ambi=1 { ND2:114.632 } ::sumAvg: 3.42 atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } ::sumAvg: 2.385 atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } ::sumAvg: 4.375 atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } ::sumAvg: 4.375 atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } atom: 754 71W-HB2 B 3.356 ambi=2 { CB:30.141 } :: atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } atom: 755 71W-HB3 B 3.273 ambi=2 { CB:30.141 } ::sumAvg: 4.465 atom: 754 71W-HB2 B 3.356 ambi=2 { CB:30.141 } atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } :: atom: 755 71W-HB3 B 3.273 ambi=2 { CB:30.141 } atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } ::sumAvg: 4.465 atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } atom: 756 71W-HD1 D1 7.431 ambi=1 { CD1:128.442 } ::sumAvg: 4.775 atom: 756 71W-HD1 D1 7.431 ambi=1 { CD1:128.442 } atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } ::sumAvg: 4.775 atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } atom: 764 72E-H N 9.323 ambi=1 { N:117.581 } ::sumAvg: 4.26 atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } atom: 775 73T-H N 7.481 ambi=1 { N:111.273 } ::sumAvg: 4.695 atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } ::sumAvg: 4.855 atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } ::sumAvg: 4.855 atom: 743 70N-HB2 B 2.861 ambi=2 { CB:41.143 } atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } :: atom: 744 70N-HB3 B 2.952 ambi=2 { CB:41.143 } atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } ::sumAvg: 3.245 atom: 743 70N-HB2 B 2.861 ambi=2 { CB:41.143 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } :: atom: 744 70N-HB3 B 2.952 ambi=2 { CB:41.143 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } ::sumAvg: 4.86 atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 743 70N-HB2 B 2.861 ambi=2 { CB:41.143 } :: atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 744 70N-HB3 B 2.952 ambi=2 { CB:41.143 } ::sumAvg: 4.86 atom: 743 70N-HB2 B 2.861 ambi=2 { CB:41.143 } atom: 766 72E-HB2 B 2.135 ambi=2 { CB:29.002 } :: atom: 743 70N-HB2 B 2.861 ambi=2 { CB:41.143 } atom: 767 72E-HB3 B 2.058 ambi=2 { CB:29.002 } :: atom: 744 70N-HB3 B 2.952 ambi=2 { CB:41.143 } atom: 766 72E-HB2 B 2.135 ambi=2 { CB:29.002 } :: atom: 744 70N-HB3 B 2.952 ambi=2 { CB:41.143 } atom: 767 72E-HB3 B 2.058 ambi=2 { CB:29.002 } ::sumAvg: 4.405 atom: 766 72E-HB2 B 2.135 ambi=2 { CB:29.002 } atom: 743 70N-HB2 B 2.861 ambi=2 { CB:41.143 } :: atom: 767 72E-HB3 B 2.058 ambi=2 { CB:29.002 } atom: 743 70N-HB2 B 2.861 ambi=2 { CB:41.143 } :: atom: 766 72E-HB2 B 2.135 ambi=2 { CB:29.002 } atom: 744 70N-HB3 B 2.952 ambi=2 { CB:41.143 } :: atom: 767 72E-HB3 B 2.058 ambi=2 { CB:29.002 } atom: 744 70N-HB3 B 2.952 ambi=2 { CB:41.143 } ::sumAvg: 4.405 atom: 768 72E-QG G 2.416 ambi=2 { CG:36.943 } atom: 743 70N-HB2 B 2.861 ambi=2 { CB:41.143 } :: atom: 768 72E-QG G 2.416 ambi=2 { CG:36.943 } atom: 744 70N-HB3 B 2.952 ambi=2 { CB:41.143 } ::sumAvg: 4.39 atom: 743 70N-HB2 B 2.861 ambi=2 { CB:41.143 } atom: 776 73T-HA A 4.344 ambi=1 { CA:63.769 } :: atom: 744 70N-HB3 B 2.952 ambi=2 { CB:41.143 } atom: 776 73T-HA A 4.344 ambi=1 { CA:63.769 } ::sumAvg: 4.91 atom: 776 73T-HA A 4.344 ambi=1 { CA:63.769 } atom: 743 70N-HB2 B 2.861 ambi=2 { CB:41.143 } :: atom: 776 73T-HA A 4.344 ambi=1 { CA:63.769 } atom: 744 70N-HB3 B 2.952 ambi=2 { CB:41.143 } ::sumAvg: 4.91 atom: 743 70N-HB2 B 2.861 ambi=2 { CB:41.143 } atom: 777 73T-HB B 4.352 ambi=1 { CB:69.156 } :: atom: 744 70N-HB3 B 2.952 ambi=2 { CB:41.143 } atom: 777 73T-HB B 4.352 ambi=1 { CB:69.156 } ::sumAvg: 2.74 atom: 777 73T-HB B 4.352 ambi=1 { CB:69.156 } atom: 743 70N-HB2 B 2.861 ambi=2 { CB:41.143 } :: atom: 777 73T-HB B 4.352 ambi=1 { CB:69.156 } atom: 744 70N-HB3 B 2.952 ambi=2 { CB:41.143 } ::sumAvg: 2.74 atom: 743 70N-HB2 B 2.861 ambi=2 { CB:41.143 } atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } :: atom: 744 70N-HB3 B 2.952 ambi=2 { CB:41.143 } atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } ::sumAvg: 3.185 atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } atom: 743 70N-HB2 B 2.861 ambi=2 { CB:41.143 } :: atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } atom: 744 70N-HB3 B 2.952 ambi=2 { CB:41.143 } ::sumAvg: 3.185 atom: 743 70N-HB2 B 2.861 ambi=2 { CB:41.143 } atom: 784 74V-H N 8.012 ambi=1 { N:121.666 } :: atom: 744 70N-HB3 B 2.952 ambi=2 { CB:41.143 } atom: 784 74V-H N 8.012 ambi=1 { N:121.666 } ::sumAvg: 4.335 atom: 777 73T-HB B 4.352 ambi=1 { CB:69.156 } atom: 745 70N-HD21 D2 7.759 ambi=1 { ND2:114.632 } ::sumAvg: 4.56 atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } ::sumAvg: 2.9 atom: 754 71W-HB2 B 3.356 ambi=2 { CB:30.141 } atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } :: atom: 755 71W-HB3 B 3.273 ambi=2 { CB:30.141 } atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } ::sumAvg: 2.24 atom: 766 72E-HB2 B 2.135 ambi=2 { CB:29.002 } atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } :: atom: 767 72E-HB3 B 2.058 ambi=2 { CB:29.002 } atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } ::sumAvg: 4.635 atom: 768 72E-QG G 2.416 ambi=2 { CG:36.943 } atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } ::sumAvg: 4.615 atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } ::sumAvg: 4.915 atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } ::sumAvg: 4.99 atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 754 71W-HB2 B 3.356 ambi=2 { CB:30.141 } :: atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 755 71W-HB3 B 3.273 ambi=2 { CB:30.141 } ::sumAvg: 2.64 atom: 754 71W-HB2 B 3.356 ambi=2 { CB:30.141 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } :: atom: 755 71W-HB3 B 3.273 ambi=2 { CB:30.141 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } ::sumAvg: 2.64 atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 756 71W-HD1 D1 7.431 ambi=1 { CD1:128.442 } ::sumAvg: 4.285 atom: 756 71W-HD1 D1 7.431 ambi=1 { CD1:128.442 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } ::sumAvg: 4.285 atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } ::sumAvg: 4.53 atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } ::sumAvg: 4.53 atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 7574 71W-HE3 E3 7.477 ambi=1 { CE3:120.27 } ::sumAvg: 2.39 atom: 7574 71W-HE3 E3 7.477 ambi=1 { CE3:120.27 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } ::sumAvg: 2.39 atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 764 72E-H N 9.323 ambi=1 { N:117.581 } ::sumAvg: 3.55 atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 765 72E-HA A 4.171 ambi=1 { CA:59.758 } ::sumAvg: 4.86 atom: 765 72E-HA A 4.171 ambi=1 { CA:59.758 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } ::sumAvg: 4.86 atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 775 73T-H N 7.481 ambi=1 { N:111.273 } ::sumAvg: 3.72 atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } ::sumAvg: 4.55 atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } ::sumAvg: 4.55 atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 784 74V-H N 8.012 ambi=1 { N:121.666 } ::sumAvg: 3.16 atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } ::sumAvg: 2.72 atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } ::sumAvg: 2.72 atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 787 74V-HG1 G1 0.862 ambi=2 { CG1:22.438 } :: atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 788 74V-HG2 G2 0.97 ambi=2 { CG2:22.447 } ::sumAvg: 3.12 atom: 787 74V-HG1 G1 0.862 ambi=2 { CG1:22.438 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } :: atom: 788 74V-HG2 G2 0.97 ambi=2 { CG2:22.447 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } ::sumAvg: 3.12 atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } ::sumAvg: 3.295 atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 797 75L-QB B 2.04 ambi=2 { CB:39.556 } ::sumAvg: 4.055 atom: 797 75L-QB B 2.04 ambi=2 { CB:39.556 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } ::sumAvg: 4.055 atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } :: atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } ::sumAvg: 3.86 atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } :: atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } ::sumAvg: 3.86 atom: 754 71W-HB2 B 3.356 ambi=2 { CB:30.141 } atom: 757 71W-HE1 E1 9.956 ambi=1 { NE1:127.607 } :: atom: 755 71W-HB3 B 3.273 ambi=2 { CB:30.141 } atom: 757 71W-HE1 E1 9.956 ambi=1 { NE1:127.607 } ::sumAvg: 4.73 atom: 754 71W-HB2 B 3.356 ambi=2 { CB:30.141 } atom: 765 72E-HA A 4.171 ambi=1 { CA:59.758 } :: atom: 755 71W-HB3 B 3.273 ambi=2 { CB:30.141 } atom: 765 72E-HA A 4.171 ambi=1 { CA:59.758 } ::sumAvg: 4.1 atom: 765 72E-HA A 4.171 ambi=1 { CA:59.758 } atom: 754 71W-HB2 B 3.356 ambi=2 { CB:30.141 } :: atom: 765 72E-HA A 4.171 ambi=1 { CA:59.758 } atom: 755 71W-HB3 B 3.273 ambi=2 { CB:30.141 } ::sumAvg: 4.1 atom: 766 72E-HB2 B 2.135 ambi=2 { CB:29.002 } atom: 754 71W-HB2 B 3.356 ambi=2 { CB:30.141 } :: atom: 767 72E-HB3 B 2.058 ambi=2 { CB:29.002 } atom: 754 71W-HB2 B 3.356 ambi=2 { CB:30.141 } :: atom: 766 72E-HB2 B 2.135 ambi=2 { CB:29.002 } atom: 755 71W-HB3 B 3.273 ambi=2 { CB:30.141 } :: atom: 767 72E-HB3 B 2.058 ambi=2 { CB:29.002 } atom: 755 71W-HB3 B 3.273 ambi=2 { CB:30.141 } ::sumAvg: 4.94 atom: 754 71W-HB2 B 3.356 ambi=2 { CB:30.141 } atom: 768 72E-QG G 2.416 ambi=2 { CG:36.943 } :: atom: 755 71W-HB3 B 3.273 ambi=2 { CB:30.141 } atom: 768 72E-QG G 2.416 ambi=2 { CG:36.943 } ::sumAvg: 4.72 atom: 768 72E-QG G 2.416 ambi=2 { CG:36.943 } atom: 754 71W-HB2 B 3.356 ambi=2 { CB:30.141 } :: atom: 768 72E-QG G 2.416 ambi=2 { CG:36.943 } atom: 755 71W-HB3 B 3.273 ambi=2 { CB:30.141 } ::sumAvg: 4.72 atom: 754 71W-HB2 B 3.356 ambi=2 { CB:30.141 } atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } :: atom: 755 71W-HB3 B 3.273 ambi=2 { CB:30.141 } atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } ::sumAvg: 4.105 atom: 797 75L-QB B 2.04 ambi=2 { CB:39.556 } atom: 754 71W-HB2 B 3.356 ambi=2 { CB:30.141 } :: atom: 797 75L-QB B 2.04 ambi=2 { CB:39.556 } atom: 755 71W-HB3 B 3.273 ambi=2 { CB:30.141 } ::sumAvg: 3.49 atom: 799 75L-HG G 2.041 ambi=1 { CG:27.248 } atom: 754 71W-HB2 B 3.356 ambi=2 { CB:30.141 } :: atom: 799 75L-HG G 2.041 ambi=1 { CG:27.248 } atom: 755 71W-HB3 B 3.273 ambi=2 { CB:30.141 } ::sumAvg: 4.465 atom: 787 74V-HG1 G1 0.862 ambi=2 { CG1:22.438 } atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } :: atom: 788 74V-HG2 G2 0.97 ambi=2 { CG2:22.447 } atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } ::sumAvg: 3.99 atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } ::sumAvg: 4.575 atom: 787 74V-HG1 G1 0.862 ambi=2 { CG1:22.438 } atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } :: atom: 788 74V-HG2 G2 0.97 ambi=2 { CG2:22.447 } atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } ::sumAvg: 2.385 atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } ::sumAvg: 4.56 atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } atom: 7573 71W-HZ3 Z3 6.69 ambi=1 { CZ3:120.358 } ::sumAvg: 4.56 atom: 7574 71W-HE3 E3 7.477 ambi=1 { CE3:120.27 } atom: 784 74V-H N 8.012 ambi=1 { N:121.666 } ::sumAvg: 4.555 atom: 7574 71W-HE3 E3 7.477 ambi=1 { CE3:120.27 } atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } ::sumAvg: 3.375 atom: 7574 71W-HE3 E3 7.477 ambi=1 { CE3:120.27 } atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } ::sumAvg: 3.72 atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } atom: 7574 71W-HE3 E3 7.477 ambi=1 { CE3:120.27 } ::sumAvg: 3.72 atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } atom: 7574 71W-HE3 E3 7.477 ambi=1 { CE3:120.27 } :: atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } atom: 7574 71W-HE3 E3 7.477 ambi=1 { CE3:120.27 } ::sumAvg: 4.005 atom: 777 73T-HB B 4.352 ambi=1 { CB:69.156 } atom: 764 72E-H N 9.323 ambi=1 { N:117.581 } ::sumAvg: 4.95 atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } atom: 764 72E-H N 9.323 ambi=1 { N:117.581 } ::sumAvg: 4.9 atom: 797 75L-QB B 2.04 ambi=2 { CB:39.556 } atom: 764 72E-H N 9.323 ambi=1 { N:117.581 } ::sumAvg: 4.39 atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } atom: 764 72E-H N 9.323 ambi=1 { N:117.581 } :: atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } atom: 764 72E-H N 9.323 ambi=1 { N:117.581 } ::sumAvg: 4.595 atom: 765 72E-HA A 4.171 ambi=1 { CA:59.758 } atom: 784 74V-H N 8.012 ambi=1 { N:121.666 } ::sumAvg: 4.74 atom: 765 72E-HA A 4.171 ambi=1 { CA:59.758 } atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } ::sumAvg: 3.855 atom: 797 75L-QB B 2.04 ambi=2 { CB:39.556 } atom: 765 72E-HA A 4.171 ambi=1 { CA:59.758 } ::sumAvg: 2.7 atom: 799 75L-HG G 2.041 ambi=1 { CG:27.248 } atom: 765 72E-HA A 4.171 ambi=1 { CA:59.758 } ::sumAvg: 4.65 atom: 765 72E-HA A 4.171 ambi=1 { CA:59.758 } atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } :: atom: 765 72E-HA A 4.171 ambi=1 { CA:59.758 } atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } ::sumAvg: 3.575 atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } atom: 765 72E-HA A 4.171 ambi=1 { CA:59.758 } :: atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } atom: 765 72E-HA A 4.171 ambi=1 { CA:59.758 } ::sumAvg: 3.575 atom: 765 72E-HA A 4.171 ambi=1 { CA:59.758 } atom: 813 76P-HD2 D 3.771 ambi=2 { CD:50.483 } :: atom: 765 72E-HA A 4.171 ambi=1 { CA:59.758 } atom: 814 76P-HD3 D 3.487 ambi=2 { CD:50.483 } ::sumAvg: 3.395 atom: 813 76P-HD2 D 3.771 ambi=2 { CD:50.483 } atom: 765 72E-HA A 4.171 ambi=1 { CA:59.758 } :: atom: 814 76P-HD3 D 3.487 ambi=2 { CD:50.483 } atom: 765 72E-HA A 4.171 ambi=1 { CA:59.758 } ::sumAvg: 3.395 atom: 766 72E-HB2 B 2.135 ambi=2 { CB:29.002 } atom: 776 73T-HA A 4.344 ambi=1 { CA:63.769 } :: atom: 767 72E-HB3 B 2.058 ambi=2 { CB:29.002 } atom: 776 73T-HA A 4.344 ambi=1 { CA:63.769 } ::sumAvg: 4.41 atom: 776 73T-HA A 4.344 ambi=1 { CA:63.769 } atom: 766 72E-HB2 B 2.135 ambi=2 { CB:29.002 } :: atom: 776 73T-HA A 4.344 ambi=1 { CA:63.769 } atom: 767 72E-HB3 B 2.058 ambi=2 { CB:29.002 } ::sumAvg: 4.41 atom: 766 72E-HB2 B 2.135 ambi=2 { CB:29.002 } atom: 777 73T-HB B 4.352 ambi=1 { CB:69.156 } :: atom: 767 72E-HB3 B 2.058 ambi=2 { CB:29.002 } atom: 777 73T-HB B 4.352 ambi=1 { CB:69.156 } ::sumAvg: 4.74 atom: 777 73T-HB B 4.352 ambi=1 { CB:69.156 } atom: 766 72E-HB2 B 2.135 ambi=2 { CB:29.002 } :: atom: 777 73T-HB B 4.352 ambi=1 { CB:69.156 } atom: 767 72E-HB3 B 2.058 ambi=2 { CB:29.002 } ::sumAvg: 4.74 atom: 768 72E-QG G 2.416 ambi=2 { CG:36.943 } atom: 776 73T-HA A 4.344 ambi=1 { CA:63.769 } ::sumAvg: 4.715 atom: 776 73T-HA A 4.344 ambi=1 { CA:63.769 } atom: 768 72E-QG G 2.416 ambi=2 { CG:36.943 } ::sumAvg: 4.715 atom: 768 72E-QG G 2.416 ambi=2 { CG:36.943 } atom: 777 73T-HB B 4.352 ambi=1 { CB:69.156 } ::sumAvg: 4.595 atom: 777 73T-HB B 4.352 ambi=1 { CB:69.156 } atom: 768 72E-QG G 2.416 ambi=2 { CG:36.943 } ::sumAvg: 4.595 atom: 768 72E-QG G 2.416 ambi=2 { CG:36.943 } atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } :: atom: 768 72E-QG G 2.416 ambi=2 { CG:36.943 } atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } ::sumAvg: 4.82 atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } atom: 768 72E-QG G 2.416 ambi=2 { CG:36.943 } :: atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } atom: 768 72E-QG G 2.416 ambi=2 { CG:36.943 } ::sumAvg: 4.82 atom: 768 72E-QG G 2.416 ambi=2 { CG:36.943 } atom: 813 76P-HD2 D 3.771 ambi=2 { CD:50.483 } :: atom: 768 72E-QG G 2.416 ambi=2 { CG:36.943 } atom: 814 76P-HD3 D 3.487 ambi=2 { CD:50.483 } ::sumAvg: 4.825 atom: 785 74V-HA A 3.707 ambi=1 { CA:66.293 } atom: 775 73T-H N 7.481 ambi=1 { N:111.273 } ::sumAvg: 4.995 atom: 813 76P-HD2 D 3.771 ambi=2 { CD:50.483 } atom: 775 73T-H N 7.481 ambi=1 { N:111.273 } :: atom: 814 76P-HD3 D 3.487 ambi=2 { CD:50.483 } atom: 775 73T-H N 7.481 ambi=1 { N:111.273 } ::sumAvg: 3.975 atom: 776 73T-HA A 4.344 ambi=1 { CA:63.769 } atom: 785 74V-HA A 3.707 ambi=1 { CA:66.293 } ::sumAvg: 4.725 atom: 785 74V-HA A 3.707 ambi=1 { CA:66.293 } atom: 776 73T-HA A 4.344 ambi=1 { CA:63.769 } ::sumAvg: 4.725 atom: 776 73T-HA A 4.344 ambi=1 { CA:63.769 } atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } ::sumAvg: 4.675 atom: 776 73T-HA A 4.344 ambi=1 { CA:63.769 } atom: 811 76P-HG2 G 2.235 ambi=2 { CG:28.727 } :: atom: 776 73T-HA A 4.344 ambi=1 { CA:63.769 } atom: 812 76P-HG3 G 2.067 ambi=2 { CG:28.727 } ::sumAvg: 3 atom: 811 76P-HG2 G 2.235 ambi=2 { CG:28.727 } atom: 776 73T-HA A 4.344 ambi=1 { CA:63.769 } :: atom: 812 76P-HG3 G 2.067 ambi=2 { CG:28.727 } atom: 776 73T-HA A 4.344 ambi=1 { CA:63.769 } ::sumAvg: 3 atom: 776 73T-HA A 4.344 ambi=1 { CA:63.769 } atom: 813 76P-HD2 D 3.771 ambi=2 { CD:50.483 } :: atom: 776 73T-HA A 4.344 ambi=1 { CA:63.769 } atom: 814 76P-HD3 D 3.487 ambi=2 { CD:50.483 } ::sumAvg: 3.535 atom: 813 76P-HD2 D 3.771 ambi=2 { CD:50.483 } atom: 776 73T-HA A 4.344 ambi=1 { CA:63.769 } :: atom: 814 76P-HD3 D 3.487 ambi=2 { CD:50.483 } atom: 776 73T-HA A 4.344 ambi=1 { CA:63.769 } ::sumAvg: 3.535 atom: 777 73T-HB B 4.352 ambi=1 { CB:69.156 } atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } ::sumAvg: 4.75 atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } atom: 777 73T-HB B 4.352 ambi=1 { CB:69.156 } ::sumAvg: 4.75 atom: 777 73T-HB B 4.352 ambi=1 { CB:69.156 } atom: 787 74V-HG1 G1 0.862 ambi=2 { CG1:22.438 } :: atom: 777 73T-HB B 4.352 ambi=1 { CB:69.156 } atom: 788 74V-HG2 G2 0.97 ambi=2 { CG2:22.447 } ::sumAvg: 4.6 atom: 787 74V-HG1 G1 0.862 ambi=2 { CG1:22.438 } atom: 777 73T-HB B 4.352 ambi=1 { CB:69.156 } :: atom: 788 74V-HG2 G2 0.97 ambi=2 { CG2:22.447 } atom: 777 73T-HB B 4.352 ambi=1 { CB:69.156 } ::sumAvg: 4.6 atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } ::sumAvg: 3.39 atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } ::sumAvg: 3.39 atom: 787 74V-HG1 G1 0.862 ambi=2 { CG1:22.438 } atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } ::sumAvg: 2.79 atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } ::sumAvg: 4.43 atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } atom: 811 76P-HG2 G 2.235 ambi=2 { CG:28.727 } :: atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } atom: 812 76P-HG3 G 2.067 ambi=2 { CG:28.727 } ::sumAvg: 4.475 atom: 811 76P-HG2 G 2.235 ambi=2 { CG:28.727 } atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } :: atom: 812 76P-HG3 G 2.067 ambi=2 { CG:28.727 } atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } ::sumAvg: 4.475 atom: 813 76P-HD2 D 3.771 ambi=2 { CD:50.483 } atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } :: atom: 814 76P-HD3 D 3.487 ambi=2 { CD:50.483 } atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } ::sumAvg: 4.6 atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } atom: 826 77K-HD2 D 1.824 ambi=2 { CD:29.728 } :: atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } atom: 827 77K-HD3 D 1.835 ambi=2 { CD:29.728 } ::sumAvg: 3.785 atom: 797 75L-QB B 2.04 ambi=2 { CB:39.556 } atom: 784 74V-H N 8.012 ambi=1 { N:121.666 } ::sumAvg: 4.24 atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } atom: 784 74V-H N 8.012 ambi=1 { N:121.666 } :: atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } atom: 784 74V-H N 8.012 ambi=1 { N:121.666 } ::sumAvg: 4.89 atom: 811 76P-HG2 G 2.235 ambi=2 { CG:28.727 } atom: 784 74V-H N 8.012 ambi=1 { N:121.666 } :: atom: 812 76P-HG3 G 2.067 ambi=2 { CG:28.727 } atom: 784 74V-H N 8.012 ambi=1 { N:121.666 } ::sumAvg: 4.665 atom: 813 76P-HD2 D 3.771 ambi=2 { CD:50.483 } atom: 784 74V-H N 8.012 ambi=1 { N:121.666 } :: atom: 814 76P-HD3 D 3.487 ambi=2 { CD:50.483 } atom: 784 74V-H N 8.012 ambi=1 { N:121.666 } ::sumAvg: 3.505 atom: 785 74V-HA A 3.707 ambi=1 { CA:66.293 } atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } ::sumAvg: 4.915 atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } atom: 785 74V-HA A 3.707 ambi=1 { CA:66.293 } ::sumAvg: 4.915 atom: 811 76P-HG2 G 2.235 ambi=2 { CG:28.727 } atom: 785 74V-HA A 3.707 ambi=1 { CA:66.293 } :: atom: 812 76P-HG3 G 2.067 ambi=2 { CG:28.727 } atom: 785 74V-HA A 3.707 ambi=1 { CA:66.293 } ::sumAvg: 4.445 atom: 785 74V-HA A 3.707 ambi=1 { CA:66.293 } atom: 824 77K-HG2 G 1.756 ambi=2 { CG:25.967 } :: atom: 785 74V-HA A 3.707 ambi=1 { CA:66.293 } atom: 825 77K-HG3 G 1.512 ambi=2 { CG:25.967 } ::sumAvg: 3.73 atom: 824 77K-HG2 G 1.756 ambi=2 { CG:25.967 } atom: 785 74V-HA A 3.707 ambi=1 { CA:66.293 } :: atom: 825 77K-HG3 G 1.512 ambi=2 { CG:25.967 } atom: 785 74V-HA A 3.707 ambi=1 { CA:66.293 } ::sumAvg: 3.73 atom: 785 74V-HA A 3.707 ambi=1 { CA:66.293 } atom: 829 77K-QE E 3.0605 ambi=2 { CE:42.395 } ::sumAvg: 4.16 atom: 829 77K-QE E 3.0605 ambi=2 { CE:42.395 } atom: 785 74V-HA A 3.707 ambi=1 { CA:66.293 } ::sumAvg: 4.16 atom: 785 74V-HA A 3.707 ambi=1 { CA:66.293 } atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } :: atom: 785 74V-HA A 3.707 ambi=1 { CA:66.293 } atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } ::sumAvg: 4.05 atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } ::sumAvg: 4.97 atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } ::sumAvg: 4.97 atom: 813 76P-HD2 D 3.771 ambi=2 { CD:50.483 } atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } :: atom: 814 76P-HD3 D 3.487 ambi=2 { CD:50.483 } atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } ::sumAvg: 4.845 atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } :: atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } ::sumAvg: 4.51 atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } :: atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } ::sumAvg: 4.51 atom: 787 74V-HG1 G1 0.862 ambi=2 { CG1:22.438 } atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } :: atom: 788 74V-HG2 G2 0.97 ambi=2 { CG2:22.447 } atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } ::sumAvg: 2.835 atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } atom: 787 74V-HG1 G1 0.862 ambi=2 { CG1:22.438 } :: atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } atom: 788 74V-HG2 G2 0.97 ambi=2 { CG2:22.447 } ::sumAvg: 2.835 atom: 787 74V-HG1 G1 0.862 ambi=2 { CG1:22.438 } atom: 797 75L-QB B 2.04 ambi=2 { CB:39.556 } :: atom: 788 74V-HG2 G2 0.97 ambi=2 { CG2:22.447 } atom: 797 75L-QB B 2.04 ambi=2 { CB:39.556 } ::sumAvg: 3.735 atom: 787 74V-HG1 G1 0.862 ambi=2 { CG1:22.438 } atom: 799 75L-HG G 2.041 ambi=1 { CG:27.248 } :: atom: 788 74V-HG2 G2 0.97 ambi=2 { CG2:22.447 } atom: 799 75L-HG G 2.041 ambi=1 { CG:27.248 } ::sumAvg: 4.085 atom: 787 74V-HG1 G1 0.862 ambi=2 { CG1:22.438 } atom: 813 76P-HD2 D 3.771 ambi=2 { CD:50.483 } :: atom: 787 74V-HG1 G1 0.862 ambi=2 { CG1:22.438 } atom: 814 76P-HD3 D 3.487 ambi=2 { CD:50.483 } :: atom: 788 74V-HG2 G2 0.97 ambi=2 { CG2:22.447 } atom: 813 76P-HD2 D 3.771 ambi=2 { CD:50.483 } :: atom: 788 74V-HG2 G2 0.97 ambi=2 { CG2:22.447 } atom: 814 76P-HD3 D 3.487 ambi=2 { CD:50.483 } ::sumAvg: 4.275 atom: 838 78V-HA A 3.664 ambi=1 { CA:66.98 } atom: 787 74V-HG1 G1 0.862 ambi=2 { CG1:22.438 } :: atom: 838 78V-HA A 3.664 ambi=1 { CA:66.98 } atom: 788 74V-HG2 G2 0.97 ambi=2 { CG2:22.447 } ::sumAvg: 4.61 atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } ::sumAvg: 2.74 atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } :: atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } ::sumAvg: 3.12 atom: 811 76P-HG2 G 2.235 ambi=2 { CG:28.727 } atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } :: atom: 812 76P-HG3 G 2.067 ambi=2 { CG:28.727 } atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } ::sumAvg: 4.345 atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } ::sumAvg: 4.91 atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } :: atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } ::sumAvg: 4.245 atom: 799 75L-HG G 2.041 ambi=1 { CG:27.248 } atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } ::sumAvg: 2.88 atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } :: atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } ::sumAvg: 2.68 atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } atom: 813 76P-HD2 D 3.771 ambi=2 { CD:50.483 } :: atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } atom: 814 76P-HD3 D 3.487 ambi=2 { CD:50.483 } ::sumAvg: 3.7 atom: 813 76P-HD2 D 3.771 ambi=2 { CD:50.483 } atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } :: atom: 814 76P-HD3 D 3.487 ambi=2 { CD:50.483 } atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } ::sumAvg: 3.7 atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } atom: 820 77K-H N 6.904 ambi=1 { N:115.74 } ::sumAvg: 4.085 atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } ::sumAvg: 3.325 atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } atom: 848 79E-H N 8.853 ambi=1 { N:117.081 } ::sumAvg: 3.765 atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } :: atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } ::sumAvg: 4.955 atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } :: atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } atom: 796 75L-HA A 4.364 ambi=1 { CA:60.234 } ::sumAvg: 4.955 atom: 797 75L-QB B 2.04 ambi=2 { CB:39.556 } atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } ::sumAvg: 3.98 atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } atom: 797 75L-QB B 2.04 ambi=2 { CB:39.556 } ::sumAvg: 3.98 atom: 797 75L-QB B 2.04 ambi=2 { CB:39.556 } atom: 820 77K-H N 6.904 ambi=1 { N:115.74 } ::sumAvg: 4.455 atom: 797 75L-QB B 2.04 ambi=2 { CB:39.556 } atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } ::sumAvg: 4.79 atom: 797 75L-QB B 2.04 ambi=2 { CB:39.556 } atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } ::sumAvg: 4.435 atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } atom: 797 75L-QB B 2.04 ambi=2 { CB:39.556 } ::sumAvg: 4.435 atom: 797 75L-QB B 2.04 ambi=2 { CB:39.556 } atom: 848 79E-H N 8.853 ambi=1 { N:117.081 } ::sumAvg: 4.695 atom: 799 75L-HG G 2.041 ambi=1 { CG:27.248 } atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } ::sumAvg: 4.755 atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } atom: 799 75L-HG G 2.041 ambi=1 { CG:27.248 } ::sumAvg: 4.755 atom: 799 75L-HG G 2.041 ambi=1 { CG:27.248 } atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } :: atom: 799 75L-HG G 2.041 ambi=1 { CG:27.248 } atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } ::sumAvg: 4.885 atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } :: atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } ::sumAvg: 3.885 atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } :: atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } ::sumAvg: 3.885 atom: 811 76P-HG2 G 2.235 ambi=2 { CG:28.727 } atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } :: atom: 812 76P-HG3 G 2.067 ambi=2 { CG:28.727 } atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } :: atom: 811 76P-HG2 G 2.235 ambi=2 { CG:28.727 } atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } :: atom: 812 76P-HG3 G 2.067 ambi=2 { CG:28.727 } atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } ::sumAvg: 4.865 atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } atom: 813 76P-HD2 D 3.771 ambi=2 { CD:50.483 } :: atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } atom: 814 76P-HD3 D 3.487 ambi=2 { CD:50.483 } :: atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } atom: 813 76P-HD2 D 3.771 ambi=2 { CD:50.483 } :: atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } atom: 814 76P-HD3 D 3.487 ambi=2 { CD:50.483 } ::sumAvg: 3.055 atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } atom: 820 77K-H N 6.904 ambi=1 { N:115.74 } :: atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } atom: 820 77K-H N 6.904 ambi=1 { N:115.74 } ::sumAvg: 4.95 atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } :: atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } ::sumAvg: 4.56 atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } atom: 848 79E-H N 8.853 ambi=1 { N:117.081 } :: atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } atom: 848 79E-H N 8.853 ambi=1 { N:117.081 } ::sumAvg: 4.07 atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } :: atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } :: atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } :: atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } ::sumAvg: 4.345 atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } :: atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } :: atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } :: atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } ::sumAvg: 4.345 atom: 852 79E-HG2 G 2.446 ambi=2 { CG:36.953 } atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } :: atom: 853 79E-HG3 G 2.04 ambi=2 { CG:36.953 } atom: 800 75L-HD1 D1 0.868 ambi=2 { CD1:23.644 } :: atom: 852 79E-HG2 G 2.446 ambi=2 { CG:36.953 } atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } :: atom: 853 79E-HG3 G 2.04 ambi=2 { CG:36.953 } atom: 801 75L-HD2 D2 0.845 ambi=2 { CD2:24.254 } ::sumAvg: 4.405 atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } atom: 809 76P-HB2 B 2.434 ambi=2 { CB:31.224 } :: atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } atom: 810 76P-HB3 B 1.823 ambi=2 { CB:31.224 } ::sumAvg: 2.255 atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } atom: 811 76P-HG2 G 2.235 ambi=2 { CG:28.727 } :: atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } atom: 812 76P-HG3 G 2.067 ambi=2 { CG:28.727 } ::sumAvg: 3.705 atom: 811 76P-HG2 G 2.235 ambi=2 { CG:28.727 } atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } :: atom: 812 76P-HG3 G 2.067 ambi=2 { CG:28.727 } atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } ::sumAvg: 3.705 atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } atom: 813 76P-HD2 D 3.771 ambi=2 { CD:50.483 } :: atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } atom: 814 76P-HD3 D 3.487 ambi=2 { CD:50.483 } ::sumAvg: 3.26 atom: 813 76P-HD2 D 3.771 ambi=2 { CD:50.483 } atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } :: atom: 814 76P-HD3 D 3.487 ambi=2 { CD:50.483 } atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } ::sumAvg: 3.26 atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } atom: 820 77K-H N 6.904 ambi=1 { N:115.74 } ::sumAvg: 3.535 atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } ::sumAvg: 4.82 atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } atom: 848 79E-H N 8.853 ambi=1 { N:117.081 } ::sumAvg: 3.995 atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } :: atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } ::sumAvg: 3.255 atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } :: atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } ::sumAvg: 3.255 atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } atom: 852 79E-HG2 G 2.446 ambi=2 { CG:36.953 } :: atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } atom: 853 79E-HG3 G 2.04 ambi=2 { CG:36.953 } ::sumAvg: 4.745 atom: 852 79E-HG2 G 2.446 ambi=2 { CG:36.953 } atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } :: atom: 853 79E-HG3 G 2.04 ambi=2 { CG:36.953 } atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } ::sumAvg: 4.745 atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } atom: 859 80A-H N 7.603 ambi=1 { N:119.149 } ::sumAvg: 4.635 atom: 821 77K-HA A 4.158 ambi=1 { CA:58.95 } atom: 809 76P-HB2 B 2.434 ambi=2 { CB:31.224 } :: atom: 821 77K-HA A 4.158 ambi=1 { CA:58.95 } atom: 810 76P-HB3 B 1.823 ambi=2 { CB:31.224 } ::sumAvg: 4.035 atom: 809 76P-HB2 B 2.434 ambi=2 { CB:31.224 } atom: 824 77K-HG2 G 1.756 ambi=2 { CG:25.967 } :: atom: 809 76P-HB2 B 2.434 ambi=2 { CB:31.224 } atom: 825 77K-HG3 G 1.512 ambi=2 { CG:25.967 } ::sumAvg: 3.81 atom: 824 77K-HG2 G 1.756 ambi=2 { CG:25.967 } atom: 809 76P-HB2 B 2.434 ambi=2 { CB:31.224 } :: atom: 825 77K-HG3 G 1.512 ambi=2 { CG:25.967 } atom: 809 76P-HB2 B 2.434 ambi=2 { CB:31.224 } ::sumAvg: 3.81 atom: 826 77K-HD2 D 1.824 ambi=2 { CD:29.728 } atom: 809 76P-HB2 B 2.434 ambi=2 { CB:31.224 } :: atom: 827 77K-HD3 D 1.835 ambi=2 { CD:29.728 } atom: 809 76P-HB2 B 2.434 ambi=2 { CB:31.224 } ::sumAvg: 4.1 atom: 809 76P-HB2 B 2.434 ambi=2 { CB:31.224 } atom: 829 77K-QE E 3.0605 ambi=2 { CE:42.395 } :: atom: 810 76P-HB3 B 1.823 ambi=2 { CB:31.224 } atom: 829 77K-QE E 3.0605 ambi=2 { CE:42.395 } ::sumAvg: 4.19 atom: 811 76P-HG2 G 2.235 ambi=2 { CG:28.727 } atom: 820 77K-H N 6.904 ambi=1 { N:115.74 } :: atom: 812 76P-HG3 G 2.067 ambi=2 { CG:28.727 } atom: 820 77K-H N 6.904 ambi=1 { N:115.74 } ::sumAvg: 3.15 atom: 811 76P-HG2 G 2.235 ambi=2 { CG:28.727 } atom: 824 77K-HG2 G 1.756 ambi=2 { CG:25.967 } :: atom: 811 76P-HG2 G 2.235 ambi=2 { CG:28.727 } atom: 825 77K-HG3 G 1.512 ambi=2 { CG:25.967 } :: atom: 812 76P-HG3 G 2.067 ambi=2 { CG:28.727 } atom: 825 77K-HG3 G 1.512 ambi=2 { CG:25.967 } ::sumAvg: 4.26 atom: 811 76P-HG2 G 2.235 ambi=2 { CG:28.727 } atom: 829 77K-QE E 3.0605 ambi=2 { CE:42.395 } :: atom: 812 76P-HG3 G 2.067 ambi=2 { CG:28.727 } atom: 829 77K-QE E 3.0605 ambi=2 { CE:42.395 } ::sumAvg: 4.345 atom: 829 77K-QE E 3.0605 ambi=2 { CE:42.395 } atom: 811 76P-HG2 G 2.235 ambi=2 { CG:28.727 } :: atom: 829 77K-QE E 3.0605 ambi=2 { CE:42.395 } atom: 812 76P-HG3 G 2.067 ambi=2 { CG:28.727 } ::sumAvg: 4.345 atom: 813 76P-HD2 D 3.771 ambi=2 { CD:50.483 } atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } :: atom: 814 76P-HD3 D 3.487 ambi=2 { CD:50.483 } atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } ::sumAvg: 4.785 atom: 821 77K-HA A 4.158 ambi=1 { CA:58.95 } atom: 820 77K-H N 6.904 ambi=1 { N:115.74 } ::sumAvg: 2.89 atom: 829 77K-QE E 3.0605 ambi=2 { CE:42.395 } atom: 820 77K-H N 6.904 ambi=1 { N:115.74 } ::sumAvg: 4.465 atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } atom: 820 77K-H N 6.904 ambi=1 { N:115.74 } ::sumAvg: 4.465 atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } atom: 820 77K-H N 6.904 ambi=1 { N:115.74 } ::sumAvg: 4.96 atom: 821 77K-HA A 4.158 ambi=1 { CA:58.95 } atom: 822 77K-HB2 B 2.237 ambi=2 { CB:33.671 } :: atom: 821 77K-HA A 4.158 ambi=1 { CA:58.95 } atom: 823 77K-HB3 B 1.97 ambi=2 { CB:33.671 } ::sumAvg: 2.515 atom: 821 77K-HA A 4.158 ambi=1 { CA:58.95 } atom: 824 77K-HG2 G 1.756 ambi=2 { CG:25.967 } :: atom: 821 77K-HA A 4.158 ambi=1 { CA:58.95 } atom: 825 77K-HG3 G 1.512 ambi=2 { CG:25.967 } ::sumAvg: 2.435 atom: 821 77K-HA A 4.158 ambi=1 { CA:58.95 } atom: 826 77K-HD2 D 1.824 ambi=2 { CD:29.728 } :: atom: 821 77K-HA A 4.158 ambi=1 { CA:58.95 } atom: 827 77K-HD3 D 1.835 ambi=2 { CD:29.728 } ::sumAvg: 3.68 atom: 821 77K-HA A 4.158 ambi=1 { CA:58.95 } atom: 829 77K-QE E 3.0605 ambi=2 { CE:42.395 } ::sumAvg: 4.185 atom: 829 77K-QE E 3.0605 ambi=2 { CE:42.395 } atom: 821 77K-HA A 4.158 ambi=1 { CA:58.95 } ::sumAvg: 4.185 atom: 821 77K-HA A 4.158 ambi=1 { CA:58.95 } atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } ::sumAvg: 3.55 atom: 821 77K-HA A 4.158 ambi=1 { CA:58.95 } atom: 838 78V-HA A 3.664 ambi=1 { CA:66.98 } ::sumAvg: 4.86 atom: 838 78V-HA A 3.664 ambi=1 { CA:66.98 } atom: 821 77K-HA A 4.158 ambi=1 { CA:58.95 } ::sumAvg: 4.86 atom: 821 77K-HA A 4.158 ambi=1 { CA:58.95 } atom: 848 79E-H N 8.853 ambi=1 { N:117.081 } ::sumAvg: 4.54 atom: 821 77K-HA A 4.158 ambi=1 { CA:58.95 } atom: 859 80A-H N 7.603 ambi=1 { N:119.149 } ::sumAvg: 3.525 atom: 821 77K-HA A 4.158 ambi=1 { CA:58.95 } atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } ::sumAvg: 2.805 atom: 821 77K-HA A 4.158 ambi=1 { CA:58.95 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } :: atom: 821 77K-HA A 4.158 ambi=1 { CA:58.95 } atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } ::sumAvg: 4.815 atom: 822 77K-HB2 B 2.237 ambi=2 { CB:33.671 } atom: 829 77K-QE E 3.0605 ambi=2 { CE:42.395 } :: atom: 823 77K-HB3 B 1.97 ambi=2 { CB:33.671 } atom: 829 77K-QE E 3.0605 ambi=2 { CE:42.395 } ::sumAvg: 3.165 atom: 829 77K-QE E 3.0605 ambi=2 { CE:42.395 } atom: 822 77K-HB2 B 2.237 ambi=2 { CB:33.671 } :: atom: 829 77K-QE E 3.0605 ambi=2 { CE:42.395 } atom: 823 77K-HB3 B 1.97 ambi=2 { CB:33.671 } ::sumAvg: 3.165 atom: 822 77K-HB2 B 2.237 ambi=2 { CB:33.671 } atom: 838 78V-HA A 3.664 ambi=1 { CA:66.98 } :: atom: 823 77K-HB3 B 1.97 ambi=2 { CB:33.671 } atom: 838 78V-HA A 3.664 ambi=1 { CA:66.98 } ::sumAvg: 4.19 atom: 823 77K-HB3 B 1.97 ambi=2 { CB:33.671 } atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } ::sumAvg: 4.855 atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } atom: 823 77K-HB3 B 1.97 ambi=2 { CB:33.671 } ::sumAvg: 4.855 atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } atom: 822 77K-HB2 B 2.237 ambi=2 { CB:33.671 } :: atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } atom: 822 77K-HB2 B 2.237 ambi=2 { CB:33.671 } :: atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } atom: 823 77K-HB3 B 1.97 ambi=2 { CB:33.671 } :: atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } atom: 823 77K-HB3 B 1.97 ambi=2 { CB:33.671 } ::sumAvg: 3.375 atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } atom: 822 77K-HB2 B 2.237 ambi=2 { CB:33.671 } :: atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } atom: 823 77K-HB3 B 1.97 ambi=2 { CB:33.671 } ::sumAvg: 4.23 atom: 822 77K-HB2 B 2.237 ambi=2 { CB:33.671 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } :: atom: 822 77K-HB2 B 2.237 ambi=2 { CB:33.671 } atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } :: atom: 823 77K-HB3 B 1.97 ambi=2 { CB:33.671 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } :: atom: 823 77K-HB3 B 1.97 ambi=2 { CB:33.671 } atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } ::sumAvg: 4.655 atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 822 77K-HB2 B 2.237 ambi=2 { CB:33.671 } :: atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 822 77K-HB2 B 2.237 ambi=2 { CB:33.671 } :: atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 823 77K-HB3 B 1.97 ambi=2 { CB:33.671 } :: atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 823 77K-HB3 B 1.97 ambi=2 { CB:33.671 } ::sumAvg: 4.655 atom: 824 77K-HG2 G 1.756 ambi=2 { CG:25.967 } atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } :: atom: 825 77K-HG3 G 1.512 ambi=2 { CG:25.967 } atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } ::sumAvg: 4.42 atom: 826 77K-HD2 D 1.824 ambi=2 { CD:29.728 } atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } :: atom: 827 77K-HD3 D 1.835 ambi=2 { CD:29.728 } atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } ::sumAvg: 4.705 atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } :: atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } ::sumAvg: 4.935 atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } ::sumAvg: 4.815 atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } :: atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } ::sumAvg: 4.48 atom: 838 78V-HA A 3.664 ambi=1 { CA:66.98 } atom: 859 80A-H N 7.603 ambi=1 { N:119.149 } ::sumAvg: 4.3 atom: 838 78V-HA A 3.664 ambi=1 { CA:66.98 } atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } ::sumAvg: 4.57 atom: 838 78V-HA A 3.664 ambi=1 { CA:66.98 } atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } ::sumAvg: 4.335 atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } atom: 838 78V-HA A 3.664 ambi=1 { CA:66.98 } ::sumAvg: 4.335 atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } ::sumAvg: 4.325 atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } ::sumAvg: 4.325 atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } :: atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } ::sumAvg: 4.47 atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } :: atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } ::sumAvg: 4.47 atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } atom: 859 80A-H N 7.603 ambi=1 { N:119.149 } ::sumAvg: 4.99 atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } ::sumAvg: 4.885 atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } ::sumAvg: 4.885 atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } :: atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } :: atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } :: atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } ::sumAvg: 4.455 atom: 852 79E-HG2 G 2.446 ambi=2 { CG:36.953 } atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } :: atom: 853 79E-HG3 G 2.04 ambi=2 { CG:36.953 } atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } :: atom: 852 79E-HG2 G 2.446 ambi=2 { CG:36.953 } atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } :: atom: 853 79E-HG3 G 2.04 ambi=2 { CG:36.953 } atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } ::sumAvg: 4.76 atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } atom: 866 81V-H N 7.413 ambi=1 { N:117.374 } :: atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } atom: 866 81V-H N 7.413 ambi=1 { N:117.374 } ::sumAvg: 4.3 atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } :: atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } ::sumAvg: 3.66 atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } :: atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } ::sumAvg: 3.015 atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } :: atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } ::sumAvg: 3.015 atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } :: atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } ::sumAvg: 3.345 atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } :: atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } ::sumAvg: 3.61 atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } atom: 848 79E-H N 8.853 ambi=1 { N:117.081 } :: atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } atom: 848 79E-H N 8.853 ambi=1 { N:117.081 } ::sumAvg: 2.365 atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 848 79E-H N 8.853 ambi=1 { N:117.081 } :: atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 848 79E-H N 8.853 ambi=1 { N:117.081 } ::sumAvg: 4.52 atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } :: atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } ::sumAvg: 2.52 atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } atom: 866 81V-H N 7.413 ambi=1 { N:117.374 } ::sumAvg: 3.96 atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } ::sumAvg: 4.62 atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } ::sumAvg: 4.62 atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } :: atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } ::sumAvg: 4.725 atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } :: atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } ::sumAvg: 4.725 atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } :: atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } ::sumAvg: 4.215 atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } :: atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } ::sumAvg: 4.215 atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } ::sumAvg: 2.81 atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } ::sumAvg: 4.08 atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } ::sumAvg: 4.08 atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } atom: 887 83E-H N 7.681 ambi=1 { N:119.191 } ::sumAvg: 4.83 atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } atom: 889 83E-HB2 B 2.187 ambi=2 { CB:30.241 } :: atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } atom: 890 83E-HB3 B 2.05 ambi=2 { CB:30.241 } ::sumAvg: 4.355 atom: 889 83E-HB2 B 2.187 ambi=2 { CB:30.241 } atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } :: atom: 890 83E-HB3 B 2.05 ambi=2 { CB:30.241 } atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } ::sumAvg: 4.355 atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } atom: 859 80A-H N 7.603 ambi=1 { N:119.149 } :: atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } atom: 859 80A-H N 7.603 ambi=1 { N:119.149 } ::sumAvg: 2.69 atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } atom: 860 80A-HA A 4.192 ambi=1 { CA:54.425 } :: atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } atom: 860 80A-HA A 4.192 ambi=1 { CA:54.425 } ::sumAvg: 4.155 atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } :: atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } ::sumAvg: 4.1 atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } :: atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } ::sumAvg: 4.1 atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } atom: 866 81V-H N 7.413 ambi=1 { N:117.374 } :: atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } atom: 866 81V-H N 7.413 ambi=1 { N:117.374 } ::sumAvg: 4.995 atom: 852 79E-HG2 G 2.446 ambi=2 { CG:36.953 } atom: 859 80A-H N 7.603 ambi=1 { N:119.149 } :: atom: 853 79E-HG3 G 2.04 ambi=2 { CG:36.953 } atom: 859 80A-H N 7.603 ambi=1 { N:119.149 } ::sumAvg: 4.165 atom: 852 79E-HG2 G 2.446 ambi=2 { CG:36.953 } atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } :: atom: 852 79E-HG2 G 2.446 ambi=2 { CG:36.953 } atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } :: atom: 853 79E-HG3 G 2.04 ambi=2 { CG:36.953 } atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } :: atom: 853 79E-HG3 G 2.04 ambi=2 { CG:36.953 } atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } ::sumAvg: 4.97 atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } atom: 852 79E-HG2 G 2.446 ambi=2 { CG:36.953 } :: atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } atom: 852 79E-HG2 G 2.446 ambi=2 { CG:36.953 } :: atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } atom: 853 79E-HG3 G 2.04 ambi=2 { CG:36.953 } :: atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } atom: 853 79E-HG3 G 2.04 ambi=2 { CG:36.953 } ::sumAvg: 4.97 atom: 852 79E-HG2 G 2.446 ambi=2 { CG:36.953 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } :: atom: 853 79E-HG3 G 2.04 ambi=2 { CG:36.953 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } ::sumAvg: 4.375 atom: 889 83E-HB2 B 2.187 ambi=2 { CB:30.241 } atom: 859 80A-H N 7.603 ambi=1 { N:119.149 } :: atom: 890 83E-HB3 B 2.05 ambi=2 { CB:30.241 } atom: 859 80A-H N 7.603 ambi=1 { N:119.149 } ::sumAvg: 4.705 atom: 860 80A-HA A 4.192 ambi=1 { CA:54.425 } atom: 867 81V-HA A 3.604 ambi=1 { CA:65.286 } ::sumAvg: 4.86 atom: 867 81V-HA A 3.604 ambi=1 { CA:65.286 } atom: 860 80A-HA A 4.192 ambi=1 { CA:54.425 } ::sumAvg: 4.86 atom: 860 80A-HA A 4.192 ambi=1 { CA:54.425 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } :: atom: 860 80A-HA A 4.192 ambi=1 { CA:54.425 } atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } ::sumAvg: 4.765 atom: 860 80A-HA A 4.192 ambi=1 { CA:54.425 } atom: 877 82F-H N 7.266 ambi=1 { N:115.771 } ::sumAvg: 4.86 atom: 860 80A-HA A 4.192 ambi=1 { CA:54.425 } atom: 887 83E-H N 7.681 ambi=1 { N:119.191 } ::sumAvg: 3.965 atom: 860 80A-HA A 4.192 ambi=1 { CA:54.425 } atom: 898 84L-H N 7.903 ambi=1 { N:121.583 } ::sumAvg: 4.1 atom: 860 80A-HA A 4.192 ambi=1 { CA:54.425 } atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } :: atom: 860 80A-HA A 4.192 ambi=1 { CA:54.425 } atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } ::sumAvg: 4.69 atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } ::sumAvg: 4.905 atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } ::sumAvg: 4.905 atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } :: atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } ::sumAvg: 3.055 atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } :: atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } ::sumAvg: 3.055 atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } atom: 887 83E-H N 7.681 ambi=1 { N:119.191 } ::sumAvg: 4.71 atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } atom: 889 83E-HB2 B 2.187 ambi=2 { CB:30.241 } :: atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } atom: 890 83E-HB3 B 2.05 ambi=2 { CB:30.241 } ::sumAvg: 4.6 atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } atom: 898 84L-H N 7.903 ambi=1 { N:121.583 } ::sumAvg: 4.86 atom: 899 84L-HA A 4.237 ambi=1 { CA:55.723 } atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } ::sumAvg: 4.305 atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } :: atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } ::sumAvg: 3.865 atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } :: atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } ::sumAvg: 3.865 atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } atom: 866 81V-H N 7.413 ambi=1 { N:117.374 } ::sumAvg: 4.935 atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } atom: 866 81V-H N 7.413 ambi=1 { N:117.374 } :: atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } atom: 866 81V-H N 7.413 ambi=1 { N:117.374 } ::sumAvg: 4.975 atom: 867 81V-HA A 3.604 ambi=1 { CA:65.286 } atom: 878 82F-HA A 4.31 ambi=1 { CA:59.395 } ::sumAvg: 4.635 atom: 878 82F-HA A 4.31 ambi=1 { CA:59.395 } atom: 867 81V-HA A 3.604 ambi=1 { CA:65.286 } ::sumAvg: 4.635 atom: 867 81V-HA A 3.604 ambi=1 { CA:65.286 } atom: 887 83E-H N 7.681 ambi=1 { N:119.191 } ::sumAvg: 4.29 atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } atom: 878 82F-HA A 4.31 ambi=1 { CA:59.395 } ::sumAvg: 4.275 atom: 878 82F-HA A 4.31 ambi=1 { CA:59.395 } atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } ::sumAvg: 4.275 atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } :: atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } ::sumAvg: 4.66 atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } :: atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } ::sumAvg: 4.66 atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } ::sumAvg: 3.12 atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } ::sumAvg: 3.98 atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } ::sumAvg: 3.98 atom: 868 81V-HB B 2.179 ambi=1 { CB:31.278 } atom: 887 83E-H N 7.681 ambi=1 { N:119.191 } ::sumAvg: 4.6 atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 878 82F-HA A 4.31 ambi=1 { CA:59.395 } :: atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 878 82F-HA A 4.31 ambi=1 { CA:59.395 } ::sumAvg: 3.665 atom: 878 82F-HA A 4.31 ambi=1 { CA:59.395 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } :: atom: 878 82F-HA A 4.31 ambi=1 { CA:59.395 } atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } ::sumAvg: 3.665 atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } :: atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } :: atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } :: atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } ::sumAvg: 4.92 atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } :: atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } :: atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } :: atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } ::sumAvg: 4.92 atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } :: atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } ::sumAvg: 3.415 atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } :: atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } ::sumAvg: 3.415 atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } :: atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } ::sumAvg: 3.01 atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } :: atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } ::sumAvg: 3.58 atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } :: atom: 8814 82F-HZ Z 6.915 ambi=1 { CZ:128.924 } atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } ::sumAvg: 3.58 atom: 889 83E-HB2 B 2.187 ambi=2 { CB:30.241 } atom: 877 82F-H N 7.266 ambi=1 { N:115.771 } :: atom: 890 83E-HB3 B 2.05 ambi=2 { CB:30.241 } atom: 877 82F-H N 7.266 ambi=1 { N:115.771 } ::sumAvg: 4.33 atom: 878 82F-HA A 4.31 ambi=1 { CA:59.395 } atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } ::sumAvg: 4.775 atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } atom: 878 82F-HA A 4.31 ambi=1 { CA:59.395 } ::sumAvg: 4.775 atom: 878 82F-HA A 4.31 ambi=1 { CA:59.395 } atom: 898 84L-H N 7.903 ambi=1 { N:121.583 } ::sumAvg: 4.63 atom: 878 82F-HA A 4.31 ambi=1 { CA:59.395 } atom: 902 84L-HG G 1.68 ambi=1 { CG:26.948 } ::sumAvg: 4.88 atom: 902 84L-HG G 1.68 ambi=1 { CG:26.948 } atom: 878 82F-HA A 4.31 ambi=1 { CA:59.395 } ::sumAvg: 4.88 atom: 878 82F-HA A 4.31 ambi=1 { CA:59.395 } atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } :: atom: 878 82F-HA A 4.31 ambi=1 { CA:59.395 } atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } ::sumAvg: 4.41 atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } atom: 878 82F-HA A 4.31 ambi=1 { CA:59.395 } :: atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } atom: 878 82F-HA A 4.31 ambi=1 { CA:59.395 } ::sumAvg: 4.41 atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } :: atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } ::sumAvg: 2.345 atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } :: atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } ::sumAvg: 4.42 atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } :: atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } ::sumAvg: 4.42 atom: 888 83E-HA A 4.321 ambi=1 { CA:56.783 } atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } :: atom: 888 83E-HA A 4.321 ambi=1 { CA:56.783 } atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } ::sumAvg: 4.485 atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } atom: 889 83E-HB2 B 2.187 ambi=2 { CB:30.241 } :: atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } atom: 890 83E-HB3 B 2.05 ambi=2 { CB:30.241 } :: atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } atom: 889 83E-HB2 B 2.187 ambi=2 { CB:30.241 } :: atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } atom: 890 83E-HB3 B 2.05 ambi=2 { CB:30.241 } ::sumAvg: 4.335 atom: 889 83E-HB2 B 2.187 ambi=2 { CB:30.241 } atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } :: atom: 890 83E-HB3 B 2.05 ambi=2 { CB:30.241 } atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } :: atom: 889 83E-HB2 B 2.187 ambi=2 { CB:30.241 } atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } :: atom: 890 83E-HB3 B 2.05 ambi=2 { CB:30.241 } atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } ::sumAvg: 4.335 atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } atom: 891 83E-QG G 2.35 ambi=2 { CG:36.147 } :: atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } atom: 891 83E-QG G 2.35 ambi=2 { CG:36.147 } ::sumAvg: 4.29 atom: 891 83E-QG G 2.35 ambi=2 { CG:36.147 } atom: 879 82F-HB2 B 3.45 ambi=2 { CB:39.404 } :: atom: 891 83E-QG G 2.35 ambi=2 { CG:36.147 } atom: 880 82F-HB3 B 2.908 ambi=2 { CB:39.404 } ::sumAvg: 4.29 atom: 899 84L-HA A 4.237 ambi=1 { CA:55.723 } atom: 887 83E-H N 7.681 ambi=1 { N:119.191 } ::sumAvg: 4.51 atom: 900 84L-HB2 B 1.657 ambi=2 { CB:42.338 } atom: 887 83E-H N 7.681 ambi=1 { N:119.191 } :: atom: 901 84L-HB3 B 1.45 ambi=2 { CB:42.338 } atom: 887 83E-H N 7.681 ambi=1 { N:119.191 } ::sumAvg: 4.695 atom: 902 84L-HG G 1.68 ambi=1 { CG:26.948 } atom: 887 83E-H N 7.681 ambi=1 { N:119.191 } ::sumAvg: 3.6 atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } atom: 887 83E-H N 7.681 ambi=1 { N:119.191 } :: atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } atom: 887 83E-H N 7.681 ambi=1 { N:119.191 } ::sumAvg: 3.685 atom: 891 83E-QG G 2.35 ambi=2 { CG:36.147 } atom: 888 83E-HA A 4.321 ambi=1 { CA:56.783 } ::sumAvg: 2.37 atom: 888 83E-HA A 4.321 ambi=1 { CA:56.783 } atom: 900 84L-HB2 B 1.657 ambi=2 { CB:42.338 } :: atom: 888 83E-HA A 4.321 ambi=1 { CA:56.783 } atom: 901 84L-HB3 B 1.45 ambi=2 { CB:42.338 } ::sumAvg: 4.8 atom: 900 84L-HB2 B 1.657 ambi=2 { CB:42.338 } atom: 888 83E-HA A 4.321 ambi=1 { CA:56.783 } :: atom: 901 84L-HB3 B 1.45 ambi=2 { CB:42.338 } atom: 888 83E-HA A 4.321 ambi=1 { CA:56.783 } ::sumAvg: 4.8 atom: 888 83E-HA A 4.321 ambi=1 { CA:56.783 } atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } :: atom: 888 83E-HA A 4.321 ambi=1 { CA:56.783 } atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } ::sumAvg: 4.395 atom: 888 83E-HA A 4.321 ambi=1 { CA:56.783 } atom: 912 85E-H N 8.252 ambi=1 { N:120.473 } ::sumAvg: 4.49 atom: 889 83E-HB2 B 2.187 ambi=2 { CB:30.241 } atom: 899 84L-HA A 4.237 ambi=1 { CA:55.723 } :: atom: 890 83E-HB3 B 2.05 ambi=2 { CB:30.241 } atom: 899 84L-HA A 4.237 ambi=1 { CA:55.723 } ::sumAvg: 4.44 atom: 899 84L-HA A 4.237 ambi=1 { CA:55.723 } atom: 889 83E-HB2 B 2.187 ambi=2 { CB:30.241 } :: atom: 899 84L-HA A 4.237 ambi=1 { CA:55.723 } atom: 890 83E-HB3 B 2.05 ambi=2 { CB:30.241 } ::sumAvg: 4.44 atom: 889 83E-HB2 B 2.187 ambi=2 { CB:30.241 } atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } :: atom: 889 83E-HB2 B 2.187 ambi=2 { CB:30.241 } atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } :: atom: 890 83E-HB3 B 2.05 ambi=2 { CB:30.241 } atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } :: atom: 890 83E-HB3 B 2.05 ambi=2 { CB:30.241 } atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } ::sumAvg: 4.91 atom: 889 83E-HB2 B 2.187 ambi=2 { CB:30.241 } atom: 912 85E-H N 8.252 ambi=1 { N:120.473 } :: atom: 890 83E-HB3 B 2.05 ambi=2 { CB:30.241 } atom: 912 85E-H N 8.252 ambi=1 { N:120.473 } ::sumAvg: 4.74 atom: 891 83E-QG G 2.35 ambi=2 { CG:36.147 } atom: 898 84L-H N 7.903 ambi=1 { N:121.583 } ::sumAvg: 4.085 atom: 891 83E-QG G 2.35 ambi=2 { CG:36.147 } atom: 914 85E-QB B 1.934 ambi=2 { CB:30.05 } ::sumAvg: 4.685 atom: 914 85E-QB B 1.934 ambi=2 { CB:30.05 } atom: 891 83E-QG G 2.35 ambi=2 { CG:36.147 } ::sumAvg: 4.685 atom: 913 85E-HA A 4.123 ambi=1 { CA:56.98 } atom: 898 84L-H N 7.903 ambi=1 { N:121.583 } ::sumAvg: 4.675 atom: 914 85E-QB B 1.934 ambi=2 { CB:30.05 } atom: 898 84L-H N 7.903 ambi=1 { N:121.583 } ::sumAvg: 4.63 atom: 899 84L-HA A 4.237 ambi=1 { CA:55.723 } atom: 914 85E-QB B 1.934 ambi=2 { CB:30.05 } ::sumAvg: 4.58 atom: 914 85E-QB B 1.934 ambi=2 { CB:30.05 } atom: 899 84L-HA A 4.237 ambi=1 { CA:55.723 } ::sumAvg: 4.58 atom: 899 84L-HA A 4.237 ambi=1 { CA:55.723 } atom: 916 85E-QG G 2.175 ambi=2 { CG:36.093 } ::sumAvg: 4.63 atom: 916 85E-QG G 2.175 ambi=2 { CG:36.093 } atom: 899 84L-HA A 4.237 ambi=1 { CA:55.723 } ::sumAvg: 4.63 atom: 900 84L-HB2 B 1.657 ambi=2 { CB:42.338 } atom: 913 85E-HA A 4.123 ambi=1 { CA:56.98 } :: atom: 901 84L-HB3 B 1.45 ambi=2 { CB:42.338 } atom: 913 85E-HA A 4.123 ambi=1 { CA:56.98 } ::sumAvg: 4.8 atom: 913 85E-HA A 4.123 ambi=1 { CA:56.98 } atom: 900 84L-HB2 B 1.657 ambi=2 { CB:42.338 } :: atom: 913 85E-HA A 4.123 ambi=1 { CA:56.98 } atom: 901 84L-HB3 B 1.45 ambi=2 { CB:42.338 } ::sumAvg: 4.8 atom: 901 84L-HB3 B 1.45 ambi=2 { CB:42.338 } atom: 914 85E-QB B 1.934 ambi=2 { CB:30.05 } ::sumAvg: 4.68 atom: 914 85E-QB B 1.934 ambi=2 { CB:30.05 } atom: 901 84L-HB3 B 1.45 ambi=2 { CB:42.338 } ::sumAvg: 4.68 atom: 900 84L-HB2 B 1.657 ambi=2 { CB:42.338 } atom: 916 85E-QG G 2.175 ambi=2 { CG:36.093 } :: atom: 901 84L-HB3 B 1.45 ambi=2 { CB:42.338 } atom: 916 85E-QG G 2.175 ambi=2 { CG:36.093 } ::sumAvg: 4.745 atom: 916 85E-QG G 2.175 ambi=2 { CG:36.093 } atom: 900 84L-HB2 B 1.657 ambi=2 { CB:42.338 } :: atom: 916 85E-QG G 2.175 ambi=2 { CG:36.093 } atom: 901 84L-HB3 B 1.45 ambi=2 { CB:42.338 } ::sumAvg: 4.745 atom: 902 84L-HG G 1.68 ambi=1 { CG:26.948 } atom: 912 85E-H N 8.252 ambi=1 { N:120.473 } ::sumAvg: 4.71 atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } atom: 912 85E-H N 8.252 ambi=1 { N:120.473 } :: atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } atom: 912 85E-H N 8.252 ambi=1 { N:120.473 } ::sumAvg: 3.25 atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } atom: 913 85E-HA A 4.123 ambi=1 { CA:56.98 } :: atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } atom: 913 85E-HA A 4.123 ambi=1 { CA:56.98 } ::sumAvg: 4.795 atom: 913 85E-HA A 4.123 ambi=1 { CA:56.98 } atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } :: atom: 913 85E-HA A 4.123 ambi=1 { CA:56.98 } atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } ::sumAvg: 4.795 atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } atom: 914 85E-QB B 1.934 ambi=2 { CB:30.05 } :: atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } atom: 914 85E-QB B 1.934 ambi=2 { CB:30.05 } ::sumAvg: 4.425 atom: 914 85E-QB B 1.934 ambi=2 { CB:30.05 } atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } :: atom: 914 85E-QB B 1.934 ambi=2 { CB:30.05 } atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } ::sumAvg: 4.425 atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } atom: 916 85E-QG G 2.175 ambi=2 { CG:36.093 } :: atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } atom: 916 85E-QG G 2.175 ambi=2 { CG:36.093 } ::sumAvg: 4.57 atom: 916 85E-QG G 2.175 ambi=2 { CG:36.093 } atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } :: atom: 916 85E-QG G 2.175 ambi=2 { CG:36.093 } atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } ::sumAvg: 4.57 atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } atom: 923 86H-H N 8.23 ambi=1 { N:118.888 } :: atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } atom: 923 86H-H N 8.23 ambi=1 { N:118.888 } ::sumAvg: 4.64 atom: 913 85E-HA A 4.123 ambi=1 { CA:56.98 } atom: 924 86H-HA A 4.587 ambi=1 { CA:56.036 } ::sumAvg: 4.47 atom: 924 86H-HA A 4.587 ambi=1 { CA:56.036 } atom: 913 85E-HA A 4.123 ambi=1 { CA:56.98 } ::sumAvg: 4.47 atom: 913 85E-HA A 4.123 ambi=1 { CA:56.98 } atom: 925 86H-QB B 3.1245 ambi=2 { CB:29.924 } ::sumAvg: 4.48 atom: 925 86H-QB B 3.1245 ambi=2 { CB:29.924 } atom: 913 85E-HA A 4.123 ambi=1 { CA:56.98 } ::sumAvg: 4.48 atom: 914 85E-QB B 1.934 ambi=2 { CB:30.05 } atom: 924 86H-HA A 4.587 ambi=1 { CA:56.036 } ::sumAvg: 4.485 atom: 924 86H-HA A 4.587 ambi=1 { CA:56.036 } atom: 914 85E-QB B 1.934 ambi=2 { CB:30.05 } ::sumAvg: 4.485 atom: 914 85E-QB B 1.934 ambi=2 { CB:30.05 } atom: 925 86H-QB B 3.1245 ambi=2 { CB:29.924 } ::sumAvg: 4.56 atom: 925 86H-QB B 3.1245 ambi=2 { CB:29.924 } atom: 914 85E-QB B 1.934 ambi=2 { CB:30.05 } ::sumAvg: 4.56 atom: 914 85E-QB B 1.934 ambi=2 { CB:30.05 } atom: 931 87H-H N 8.163 ambi=1 { N:125.354 } ::sumAvg: 4.17 atom: 924 86H-HA A 4.587 ambi=1 { CA:56.036 } atom: 923 86H-H N 8.23 ambi=1 { N:118.888 } ::sumAvg: 2.86 atom: 925 86H-QB B 3.1245 ambi=2 { CB:29.924 } atom: 923 86H-H N 8.23 ambi=1 { N:118.888 } ::sumAvg: 2.465 atom: 925 86H-QB B 3.1245 ambi=2 { CB:29.924 } atom: 924 86H-HA A 4.587 ambi=1 { CA:56.036 } ::sumAvg: 2.3 atom: 924 86H-HA A 4.587 ambi=1 { CA:56.036 } atom: 931 87H-H N 8.163 ambi=1 { N:125.354 } ::sumAvg: 2.835 atom: 925 86H-QB B 3.1245 ambi=2 { CB:29.924 } atom: 931 87H-H N 8.163 ambi=1 { N:125.354 } ::sumAvg: 2.835 atom: 925 86H-QB B 3.1245 ambi=2 { CB:29.924 } atom: 932 87H-HA A 4.412 ambi=1 { CA:57.23 } ::sumAvg: 4.34 atom: 932 87H-HA A 4.412 ambi=1 { CA:57.23 } atom: 931 87H-H N 8.163 ambi=1 { N:125.354 } ::sumAvg: 2.605 # Missing interactons for n.peaks atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } atom: 2 1M-HB2 B 1.956 ambi=2 { CB:34.019 } :: atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } atom: 3 1M-HB3 B 1.976 ambi=2 { CB:34.019 } ::sumAvg: 3.89 atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } ::sumAvg: 2.73 atom: 216 20S-H N 8.121 ambi=1 { N:110.268 } atom: 1 1M-HA A 3.823 ambi=1 { CA:55.193 } ::sumAvg: 3.995 atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } atom: 14 2K-HG2 G 1.384 ambi=2 { CG:24.011 } :: atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } atom: 15 2K-HG3 G 1.223 ambi=2 { CG:24.011 } ::sumAvg: 3.175 atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } atom: 4 1M-HG2 G 2.151 ambi=2 { CG:31.136 } :: atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } atom: 5 1M-HG3 G 2.036 ambi=2 { CG:31.136 } ::sumAvg: 4.465 atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } atom: 12 2K-HB2 B 1.494 ambi=2 { CB:35.916 } :: atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } atom: 13 2K-HB3 B 1.329 ambi=2 { CB:35.916 } ::sumAvg: 3.12 atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } atom: 14 2K-HG2 G 1.384 ambi=2 { CG:24.011 } :: atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } atom: 15 2K-HG3 G 1.223 ambi=2 { CG:24.011 } ::sumAvg: 3.44 atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } atom: 27 3I-HA A 3.659 ambi=1 { CA:62.565 } ::sumAvg: 4.765 atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } atom: 43 4I-HG12 G1 1.164 ambi=2 { CG1:26.368 } :: atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } atom: 44 4I-HG13 G1 1.025 ambi=2 { CG1:26.368 } ::sumAvg: 4.465 atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } ::sumAvg: 2.935 atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } ::sumAvg: 3.3 atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } atom: 204 19L-HB2 B 1.87 ambi=2 { CB:45.236 } :: atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } atom: 205 19L-HB3 B 1.622 ambi=2 { CB:45.236 } ::sumAvg: 4.235 atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } :: atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } ::sumAvg: 3.66 atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } atom: 216 20S-H N 8.121 ambi=1 { N:110.268 } ::sumAvg: 3.775 atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } atom: 218 20S-HB2 B 4.268 ambi=2 { CB:63.159 } :: atom: 10 2K-H N 8.56 ambi=1 { N:122.783 } atom: 219 20S-HB3 B 3.584 ambi=2 { CB:63.159 } ::sumAvg: 4.165 atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } atom: 27 3I-HA A 3.659 ambi=1 { CA:62.565 } ::sumAvg: 4.395 atom: 40 4I-H N 9.159 ambi=1 { N:127.239 } atom: 28 3I-HB B 1.486 ambi=1 { CB:38.792 } ::sumAvg: 4.315 atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } atom: 16 2K-HD2 D 1.604 ambi=2 { CD:29.373 } :: atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } atom: 17 2K-HD3 D 1.651 ambi=2 { CD:29.373 } ::sumAvg: 4.64 atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } atom: 40 4I-H N 9.159 ambi=1 { N:127.239 } ::sumAvg: 4.07 atom: 40 4I-H N 9.159 ambi=1 { N:127.239 } atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } ::sumAvg: 4.07 atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } ::sumAvg: 3.74 atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } ::sumAvg: 4.615 atom: 26 3I-H N 8.373 ambi=1 { N:120.076 } atom: 881 82F-QD D 7.214 ambi=3 { CD1:131.909 } ::sumAvg: 4.305 atom: 54 5S-H N 7.482 ambi=1 { N:112.465 } atom: 41 4I-HA A 4.135 ambi=1 { CA:60.586 } ::sumAvg: 3.485 atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } atom: 42 4I-HB B 1.613 ambi=1 { CB:37.466 } ::sumAvg: 4.79 atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } atom: 31 3I-HG2 G2 0.595 ambi=1 { CG2:17.2 } ::sumAvg: 3.675 atom: 877 82F-H N 7.266 ambi=1 { N:115.771 } atom: 32 3I-HD1 D1 0.775 ambi=1 { CD1:14.332 } ::sumAvg: 4.16 atom: 40 4I-H N 9.159 ambi=1 { N:127.239 } atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } ::sumAvg: 4.755 atom: 40 4I-H N 9.159 ambi=1 { N:127.239 } atom: 56 5S-QB B 3.784 ambi=2 { CB:65.178 } ::sumAvg: 4.68 atom: 40 4I-H N 9.159 ambi=1 { N:127.239 } atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } ::sumAvg: 2.6 atom: 40 4I-H N 9.159 ambi=1 { N:127.239 } atom: 180 17I-HA A 4.738 ambi=1 { CA:60.903 } ::sumAvg: 4.89 atom: 40 4I-H N 9.159 ambi=1 { N:127.239 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 3.79 atom: 40 4I-H N 9.159 ambi=1 { N:127.239 } atom: 194 18T-HA A 4.707 ambi=1 { CA:63.777 } ::sumAvg: 4.99 atom: 40 4I-H N 9.159 ambi=1 { N:127.239 } atom: 195 18T-HB B 4.056 ambi=1 { CB:68.945 } ::sumAvg: 3.235 atom: 40 4I-H N 9.159 ambi=1 { N:127.239 } atom: 196 18T-HG2 G2 1.303 ambi=1 { CG2:21.426 } ::sumAvg: 3.98 atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } atom: 55 5S-HA A 4.545 ambi=1 { CA:57.655 } ::sumAvg: 4.875 atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } atom: 56 5S-QB B 3.784 ambi=2 { CB:65.178 } ::sumAvg: 3.945 atom: 54 5S-H N 7.482 ambi=1 { N:112.465 } atom: 46 4I-HD1 D1 0.64 ambi=1 { CD1:10.304 } ::sumAvg: 3.99 atom: 54 5S-H N 7.482 ambi=1 { N:112.465 } atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } ::sumAvg: 4.865 atom: 54 5S-H N 7.482 ambi=1 { N:112.465 } atom: 62 6I-H N 8.402 ambi=1 { N:122.071 } ::sumAvg: 4.195 atom: 62 6I-H N 8.402 ambi=1 { N:122.071 } atom: 54 5S-H N 7.482 ambi=1 { N:112.465 } ::sumAvg: 4.195 atom: 54 5S-H N 7.482 ambi=1 { N:112.465 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 4.42 atom: 162 16K-H N 8.74 ambi=1 { N:125.158 } atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } ::sumAvg: 4.745 atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } atom: 63 6I-HA A 4.683 ambi=1 { CA:61.373 } ::sumAvg: 3.945 atom: 62 6I-H N 8.402 ambi=1 { N:122.071 } atom: 76 7S-H N 9.201 ambi=1 { N:121.348 } ::sumAvg: 3.53 atom: 76 7S-H N 9.201 ambi=1 { N:121.348 } atom: 62 6I-H N 8.402 ambi=1 { N:122.071 } ::sumAvg: 3.53 atom: 95 9T-H N 8.663 ambi=1 { N:112.855 } atom: 77 7S-HA A 4.814 ambi=1 { CA:56.896 } ::sumAvg: 4.905 atom: 76 7S-H N 9.201 ambi=1 { N:121.348 } atom: 84 8E-H N 8.542 ambi=1 { N:123.371 } ::sumAvg: 3.905 atom: 84 8E-H N 8.542 ambi=1 { N:123.371 } atom: 76 7S-H N 9.201 ambi=1 { N:121.348 } ::sumAvg: 3.905 atom: 76 7S-H N 9.201 ambi=1 { N:121.348 } atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } :: atom: 76 7S-H N 9.201 ambi=1 { N:121.348 } atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } ::sumAvg: 4.53 atom: 84 8E-H N 8.542 ambi=1 { N:123.371 } atom: 96 9T-HA A 4.958 ambi=1 { CA:60.316 } ::sumAvg: 4.975 atom: 95 9T-H N 8.663 ambi=1 { N:112.855 } atom: 97 9T-HB B 4.516 ambi=1 { CB:69.478 } ::sumAvg: 3.205 atom: 95 9T-H N 8.663 ambi=1 { N:112.855 } atom: 115 11N-H N 7.621 ambi=1 { N:114.72 } ::sumAvg: 4.225 atom: 115 11N-H N 7.621 ambi=1 { N:114.72 } atom: 95 9T-H N 8.663 ambi=1 { N:112.855 } ::sumAvg: 4.225 atom: 115 11N-H N 7.621 ambi=1 { N:114.72 } atom: 120 11N-HD22 D2 6.983 ambi=1 { ND2:113.599 } ::sumAvg: 4.62 atom: 115 11N-H N 7.621 ambi=1 { N:114.72 } atom: 125 12H-HA A 4.702 ambi=1 { CA:58.463 } ::sumAvg: 4.795 atom: 119 11N-HD21 D2 7.634 ambi=1 { ND2:113.599 } atom: 116 11N-HA A 4.933 ambi=1 { CA:51.559 } :: atom: 120 11N-HD22 D2 6.983 ambi=1 { ND2:113.599 } atom: 116 11N-HA A 4.933 ambi=1 { CA:51.559 } ::sumAvg: 3.395 atom: 131 13N-H N 8.511 ambi=1 { N:115.359 } atom: 125 12H-HA A 4.702 ambi=1 { CA:58.463 } ::sumAvg: 2.88 atom: 131 13N-H N 8.511 ambi=1 { N:115.359 } atom: 126 12H-HB2 B 3.491 ambi=2 { CB:28.533 } :: atom: 131 13N-H N 8.511 ambi=1 { N:115.359 } atom: 127 12H-HB3 B 3.409 ambi=2 { CB:28.533 } ::sumAvg: 3.005 atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } atom: 126 12H-HB2 B 3.491 ambi=2 { CB:28.533 } :: atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } atom: 127 12H-HB3 B 3.409 ambi=2 { CB:28.533 } ::sumAvg: 4.34 atom: 131 13N-H N 8.511 ambi=1 { N:115.359 } atom: 1271 12H-HD2 D2 7.311 ambi=1 { CD2:120.513 } ::sumAvg: 3.835 atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } atom: 1271 12H-HD2 D2 7.311 ambi=1 { CD2:120.513 } ::sumAvg: 4.595 atom: 131 13N-H N 8.511 ambi=1 { N:115.359 } atom: 135 13N-HD21 D2 7.375 ambi=1 { ND2:113.227 } :: atom: 131 13N-H N 8.511 ambi=1 { N:115.359 } atom: 136 13N-HD22 D2 7.222 ambi=1 { ND2:113.227 } ::sumAvg: 3.705 atom: 135 13N-HD21 D2 7.375 ambi=1 { ND2:113.227 } atom: 131 13N-H N 8.511 ambi=1 { N:115.359 } :: atom: 136 13N-HD22 D2 7.222 ambi=1 { ND2:113.227 } atom: 131 13N-H N 8.511 ambi=1 { N:115.359 } ::sumAvg: 3.705 atom: 131 13N-H N 8.511 ambi=1 { N:115.359 } atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } ::sumAvg: 4.735 atom: 131 13N-H N 8.511 ambi=1 { N:115.359 } atom: 145 14T-HG2 G2 1.213 ambi=1 { CG2:22.584 } ::sumAvg: 4.385 atom: 131 13N-H N 8.511 ambi=1 { N:115.359 } atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } ::sumAvg: 4.255 atom: 131 13N-H N 8.511 ambi=1 { N:115.359 } atom: 757 71W-HE1 E1 9.956 ambi=1 { NE1:127.607 } ::sumAvg: 4.585 atom: 757 71W-HE1 E1 9.956 ambi=1 { NE1:127.607 } atom: 131 13N-H N 8.511 ambi=1 { N:115.359 } ::sumAvg: 4.585 atom: 135 13N-HD21 D2 7.375 ambi=1 { ND2:113.227 } atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } :: atom: 136 13N-HD22 D2 7.222 ambi=1 { ND2:113.227 } atom: 132 13N-HA A 5.018 ambi=1 { CA:53.89 } ::sumAvg: 2.685 atom: 135 13N-HD21 D2 7.375 ambi=1 { ND2:113.227 } atom: 691 65K-HG2 G 0.968 ambi=2 { CG:22.321 } :: atom: 135 13N-HD21 D2 7.375 ambi=1 { ND2:113.227 } atom: 692 65K-HG3 G 0.746 ambi=2 { CG:22.321 } ::sumAvg: 4.405 atom: 135 13N-HD21 D2 7.375 ambi=1 { ND2:113.227 } atom: 705 66E-HA A 4.143 ambi=1 { CA:55.751 } ::sumAvg: 4.98 atom: 135 13N-HD21 D2 7.375 ambi=1 { ND2:113.227 } atom: 715 67N-H N 9.071 ambi=1 { N:122.06 } ::sumAvg: 4.32 atom: 715 67N-H N 9.071 ambi=1 { N:122.06 } atom: 135 13N-HD21 D2 7.375 ambi=1 { ND2:113.227 } ::sumAvg: 4.32 atom: 135 13N-HD21 D2 7.375 ambi=1 { ND2:113.227 } atom: 718 67N-QB B 2.779 ambi=2 { CB:39.018 } :: atom: 136 13N-HD22 D2 7.222 ambi=1 { ND2:113.227 } atom: 718 67N-QB B 2.779 ambi=2 { CB:39.018 } ::sumAvg: 4.12 atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } atom: 151 15M-H N 8.994 ambi=1 { N:127.785 } ::sumAvg: 4.27 atom: 151 15M-H N 8.994 ambi=1 { N:127.785 } atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } ::sumAvg: 4.27 atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } atom: 152 15M-HA A 4.868 ambi=1 { CA:53.076 } ::sumAvg: 4.65 atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } ::sumAvg: 4.51 atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } atom: 687 65K-H N 9.071 ambi=1 { N:120.964 } ::sumAvg: 4.94 atom: 687 65K-H N 9.071 ambi=1 { N:120.964 } atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } ::sumAvg: 4.94 atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } atom: 757 71W-HE1 E1 9.956 ambi=1 { NE1:127.607 } ::sumAvg: 4.785 atom: 757 71W-HE1 E1 9.956 ambi=1 { NE1:127.607 } atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } ::sumAvg: 4.785 atom: 142 14T-H N 8.234 ambi=1 { N:117.676 } atom: 7571 71W-HZ2 Z2 7.494 ambi=1 { CZ2:115.95 } ::sumAvg: 4.33 atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } ::sumAvg: 4.275 atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } ::sumAvg: 4.61 atom: 757 71W-HE1 E1 9.956 ambi=1 { NE1:127.607 } atom: 143 14T-HA A 5.98 ambi=1 { CA:62.729 } ::sumAvg: 4.76 atom: 151 15M-H N 8.994 ambi=1 { N:127.785 } atom: 144 14T-HB B 3.824 ambi=1 { CB:71.595 } ::sumAvg: 4.15 atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } atom: 144 14T-HB B 3.824 ambi=1 { CB:71.595 } ::sumAvg: 4.49 atom: 687 65K-H N 9.071 ambi=1 { N:120.964 } atom: 144 14T-HB B 3.824 ambi=1 { CB:71.595 } ::sumAvg: 3.98 atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } atom: 145 14T-HG2 G2 1.213 ambi=1 { CG2:22.584 } ::sumAvg: 4.59 atom: 151 15M-H N 8.994 ambi=1 { N:127.785 } atom: 1561 15M-HE E 1.149 ambi=1 { CE:15.886 } ::sumAvg: 4.125 atom: 151 15M-H N 8.994 ambi=1 { N:127.785 } atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } ::sumAvg: 4.535 atom: 151 15M-H N 8.994 ambi=1 { N:127.785 } atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } ::sumAvg: 3.965 atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } atom: 153 15M-HB2 B 1.282 ambi=2 { CB:34.692 } :: atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } atom: 154 15M-HB3 B 0.912 ambi=2 { CB:34.692 } ::sumAvg: 4.745 atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } atom: 155 15M-HG2 G 1.282 ambi=2 { CG:31.698 } :: atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } atom: 156 15M-HG3 G 1.252 ambi=2 { CG:31.698 } ::sumAvg: 4.805 atom: 757 71W-HE1 E1 9.956 ambi=1 { NE1:127.607 } atom: 155 15M-HG2 G 1.282 ambi=2 { CG:31.698 } :: atom: 757 71W-HE1 E1 9.956 ambi=1 { NE1:127.607 } atom: 156 15M-HG3 G 1.252 ambi=2 { CG:31.698 } ::sumAvg: 4.165 atom: 162 16K-H N 8.74 ambi=1 { N:125.158 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } ::sumAvg: 4.455 atom: 162 16K-H N 8.74 ambi=1 { N:125.158 } atom: 182 17I-HG12 G1 0.993 ambi=2 { CG1:27.425 } :: atom: 162 16K-H N 8.74 ambi=1 { N:125.158 } atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } ::sumAvg: 4.88 atom: 162 16K-H N 8.74 ambi=1 { N:125.158 } atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } ::sumAvg: 4.785 atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } atom: 164 16K-HB2 B 1.347 ambi=2 { CB:34.524 } :: atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } atom: 165 16K-HB3 B 1.672 ambi=2 { CB:34.524 } ::sumAvg: 3.365 atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } atom: 166 16K-HG2 G 1.058 ambi=2 { CG:25.371 } :: atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } atom: 167 16K-HG3 G 0.877 ambi=2 { CG:25.371 } ::sumAvg: 4.65 atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } atom: 168 16K-QD D 1.087 ambi=2 { CD:29.625 } ::sumAvg: 4.365 atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 3.795 atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } ::sumAvg: 4.17 atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } ::sumAvg: 4.56 atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } ::sumAvg: 4.59 atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } ::sumAvg: 3.875 atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } ::sumAvg: 4.94 atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } :: atom: 179 17I-H N 9.821 ambi=1 { N:131.726 } atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } ::sumAvg: 4.595 atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } atom: 181 17I-HB B 2.089 ambi=1 { CB:39.202 } ::sumAvg: 4.315 atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } atom: 181 17I-HB B 2.089 ambi=1 { CB:39.202 } ::sumAvg: 2.735 atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } atom: 182 17I-HG12 G1 0.993 ambi=2 { CG1:27.425 } :: atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } ::sumAvg: 4.565 atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } atom: 182 17I-HG12 G1 0.993 ambi=2 { CG1:27.425 } :: atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } atom: 183 17I-HG13 G1 1.552 ambi=2 { CG1:27.425 } ::sumAvg: 4.2 atom: 202 19L-H N 9.64 ambi=1 { N:128.781 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 4.3 atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } atom: 184 17I-HG2 G2 0.706 ambi=1 { CG2:18.505 } ::sumAvg: 3.855 atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } atom: 185 17I-HD1 D1 0.796 ambi=1 { CD1:13.63 } ::sumAvg: 4.04 atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } atom: 202 19L-H N 9.64 ambi=1 { N:128.781 } ::sumAvg: 4.515 atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } :: atom: 193 18T-H N 9.005 ambi=1 { N:124.752 } atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } ::sumAvg: 4.77 atom: 224 21E-H N 6.961 ambi=1 { N:118.393 } atom: 196 18T-HG2 G2 1.303 ambi=1 { CG2:21.426 } ::sumAvg: 4.295 atom: 202 19L-H N 9.64 ambi=1 { N:128.781 } atom: 216 20S-H N 8.121 ambi=1 { N:110.268 } ::sumAvg: 3.365 atom: 216 20S-H N 8.121 ambi=1 { N:110.268 } atom: 202 19L-H N 9.64 ambi=1 { N:128.781 } ::sumAvg: 3.365 atom: 202 19L-H N 9.64 ambi=1 { N:128.781 } atom: 224 21E-H N 6.961 ambi=1 { N:118.393 } ::sumAvg: 3.86 atom: 224 21E-H N 6.961 ambi=1 { N:118.393 } atom: 202 19L-H N 9.64 ambi=1 { N:128.781 } ::sumAvg: 3.86 atom: 224 21E-H N 6.961 ambi=1 { N:118.393 } atom: 203 19L-HA A 5.008 ambi=1 { CA:53.302 } ::sumAvg: 4.035 atom: 636 60F-H N 8.971 ambi=1 { N:115.459 } atom: 207 19L-HD1 D1 0.871 ambi=2 { CD1:25.636 } :: atom: 636 60F-H N 8.971 ambi=1 { N:115.459 } atom: 208 19L-HD2 D2 0.339 ambi=2 { CD2:23.644 } ::sumAvg: 4.175 atom: 216 20S-H N 8.121 ambi=1 { N:110.268 } atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } ::sumAvg: 4.69 atom: 224 21E-H N 6.961 ambi=1 { N:118.393 } atom: 235 22S-H N 8.623 ambi=1 { N:115.935 } ::sumAvg: 3.92 atom: 235 22S-H N 8.623 ambi=1 { N:115.935 } atom: 224 21E-H N 6.961 ambi=1 { N:118.393 } ::sumAvg: 3.92 atom: 224 21E-H N 6.961 ambi=1 { N:118.393 } atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } :: atom: 224 21E-H N 6.961 ambi=1 { N:118.393 } atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } ::sumAvg: 3.955 atom: 235 22S-H N 8.623 ambi=1 { N:115.935 } atom: 243 23R-H N 8.191 ambi=1 { N:123.783 } ::sumAvg: 3.17 atom: 243 23R-H N 8.191 ambi=1 { N:123.783 } atom: 235 22S-H N 8.623 ambi=1 { N:115.935 } ::sumAvg: 3.17 atom: 235 22S-H N 8.623 ambi=1 { N:115.935 } atom: 244 23R-HA A 4.188 ambi=1 { CA:56.683 } ::sumAvg: 4.965 atom: 235 22S-H N 8.623 ambi=1 { N:115.935 } atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } :: atom: 235 22S-H N 8.623 ambi=1 { N:115.935 } atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } ::sumAvg: 3.74 atom: 257 24E-H N 8.661 ambi=1 { N:122.151 } atom: 237 22S-QB B 3.6785 ambi=2 { CB:65.168 } ::sumAvg: 4.515 atom: 268 25G-H N 8.463 ambi=1 { N:111.861 } atom: 237 22S-QB B 3.6785 ambi=2 { CB:65.168 } ::sumAvg: 4.95 atom: 243 23R-H N 8.191 ambi=1 { N:123.783 } atom: 257 24E-H N 8.661 ambi=1 { N:122.151 } ::sumAvg: 3.235 atom: 257 24E-H N 8.661 ambi=1 { N:122.151 } atom: 243 23R-H N 8.191 ambi=1 { N:123.783 } ::sumAvg: 3.235 atom: 257 24E-H N 8.661 ambi=1 { N:122.151 } atom: 250 23R-QD D 2.4215 ambi=2 { CD:41.989 } ::sumAvg: 4.435 atom: 257 24E-H N 8.661 ambi=1 { N:122.151 } atom: 269 25G-QA A 3.985 ambi=2 { CA:45.348 } ::sumAvg: 4.345 atom: 274 26M-H N 8.661 ambi=1 { N:118.985 } atom: 259 24E-HB2 B 2.084 ambi=2 { CB:29.913 } :: atom: 274 26M-H N 8.661 ambi=1 { N:118.985 } atom: 260 24E-HB3 B 1.987 ambi=2 { CB:29.913 } ::sumAvg: 4.805 atom: 268 25G-H N 8.463 ambi=1 { N:111.861 } atom: 275 26M-HA A 4.681 ambi=1 { CA:54.635 } ::sumAvg: 4.56 atom: 268 25G-H N 8.463 ambi=1 { N:111.861 } atom: 278 26M-HG2 G 2.646 ambi=2 { CG:32.262 } :: atom: 268 25G-H N 8.463 ambi=1 { N:111.861 } atom: 279 26M-HG3 G 2.621 ambi=2 { CG:32.262 } ::sumAvg: 4.96 atom: 268 25G-H N 8.463 ambi=1 { N:111.861 } atom: 630 59D-HB2 B 2.431 ambi=2 { CB:39.908 } :: atom: 268 25G-H N 8.463 ambi=1 { N:111.861 } atom: 631 59D-HB3 B 3.354 ambi=2 { CB:39.908 } ::sumAvg: 4.91 atom: 274 26M-H N 8.661 ambi=1 { N:118.985 } atom: 2791 26M-HE E 1.723 ambi=1 { CE:17.385 } ::sumAvg: 4.825 atom: 274 26M-H N 8.661 ambi=1 { N:118.985 } atom: 618 58M-HA A 3.804 ambi=1 { CA:57.73 } ::sumAvg: 4.515 atom: 274 26M-H N 8.661 ambi=1 { N:118.985 } atom: 629 59D-HA A 4.938 ambi=1 { CA:52.397 } ::sumAvg: 4.4 atom: 285 27T-H N 7.601 ambi=1 { N:112.356 } atom: 275 26M-HA A 4.681 ambi=1 { CA:54.635 } ::sumAvg: 2.83 atom: 285 27T-H N 7.601 ambi=1 { N:112.356 } atom: 278 26M-HG2 G 2.646 ambi=2 { CG:32.262 } :: atom: 285 27T-H N 7.601 ambi=1 { N:112.356 } atom: 279 26M-HG3 G 2.621 ambi=2 { CG:32.262 } ::sumAvg: 4.505 atom: 285 27T-H N 7.601 ambi=1 { N:112.356 } atom: 294 28S-H N 8.37 ambi=1 { N:116.874 } ::sumAvg: 4.26 atom: 294 28S-H N 8.37 ambi=1 { N:116.874 } atom: 285 27T-H N 7.601 ambi=1 { N:112.356 } ::sumAvg: 4.26 atom: 294 28S-H N 8.37 ambi=1 { N:116.874 } atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } ::sumAvg: 3.975 atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } atom: 294 28S-H N 8.37 ambi=1 { N:116.874 } ::sumAvg: 3.975 atom: 294 28S-H N 8.37 ambi=1 { N:116.874 } atom: 303 29D-HA A 4.823 ambi=1 { CA:54.208 } ::sumAvg: 4.91 atom: 294 28S-H N 8.37 ambi=1 { N:116.874 } atom: 304 29D-HB2 B 1.969 ambi=2 { CB:47.234 } :: atom: 294 28S-H N 8.37 ambi=1 { N:116.874 } atom: 305 29D-HB3 B 1.723 ambi=2 { CB:47.234 } ::sumAvg: 4.77 atom: 294 28S-H N 8.37 ambi=1 { N:116.874 } atom: 607 57V-HA A 3.774 ambi=1 { CA:60.176 } ::sumAvg: 4.72 atom: 606 57V-H N 8.072 ambi=1 { N:127.671 } atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } ::sumAvg: 4.1 atom: 617 58M-H N 9.14 ambi=1 { N:119.988 } atom: 295 28S-HA A 4.937 ambi=1 { CA:56.309 } ::sumAvg: 4.275 atom: 617 58M-H N 9.14 ambi=1 { N:119.988 } atom: 296 28S-HB2 B 3.473 ambi=2 { CB:67.031 } :: atom: 617 58M-H N 9.14 ambi=1 { N:119.988 } atom: 297 28S-HB3 B 3.53 ambi=2 { CB:67.031 } ::sumAvg: 3.335 atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } atom: 311 30T-HA A 5.123 ambi=1 { CA:61.941 } ::sumAvg: 4.66 atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } ::sumAvg: 4.745 atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } ::sumAvg: 4.9 atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } ::sumAvg: 4.76 atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } ::sumAvg: 4.48 atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } ::sumAvg: 4.345 atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } atom: 600 56H-HD2 D2 7.256 ambi=1 { CD2:118.543 } ::sumAvg: 4.825 atom: 302 29D-H N 7.885 ambi=1 { N:117.074 } atom: 607 57V-HA A 3.774 ambi=1 { CA:60.176 } ::sumAvg: 3.955 atom: 310 30T-H N 8.189 ambi=1 { N:115.249 } atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } ::sumAvg: 4.29 atom: 310 30T-H N 8.189 ambi=1 { N:115.249 } atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } ::sumAvg: 4.47 atom: 310 30T-H N 8.189 ambi=1 { N:115.249 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } ::sumAvg: 4.45 atom: 310 30T-H N 8.189 ambi=1 { N:115.249 } atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } ::sumAvg: 4.73 atom: 310 30T-H N 8.189 ambi=1 { N:115.249 } atom: 5902 55F-QE E 7.264 ambi=3 { CE1:131.172 } ::sumAvg: 4.885 atom: 310 30T-H N 8.189 ambi=1 { N:115.249 } atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } ::sumAvg: 4.735 atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } atom: 310 30T-H N 8.189 ambi=1 { N:115.249 } ::sumAvg: 4.735 atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } atom: 312 30T-HB B 3.917 ambi=1 { CB:70.143 } ::sumAvg: 3.985 atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } ::sumAvg: 4.72 atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } atom: 331 32T-H N 9.143 ambi=1 { N:111.101 } ::sumAvg: 4.275 atom: 331 32T-H N 9.143 ambi=1 { N:111.101 } atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } ::sumAvg: 4.275 atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } ::sumAvg: 4.985 atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } atom: 334 32T-HG2 G2 1.179 ambi=1 { CG2:22.032 } ::sumAvg: 3.93 atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } ::sumAvg: 3.95 atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } atom: 586 55F-H N 9.142 ambi=1 { N:129.664 } ::sumAvg: 4.875 atom: 586 55F-H N 9.142 ambi=1 { N:129.664 } atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } ::sumAvg: 4.875 atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } atom: 588 55F-HB2 B 3.256 ambi=2 { CB:41.641 } :: atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } atom: 589 55F-HB3 B 3.159 ambi=2 { CB:41.641 } ::sumAvg: 4.885 atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } ::sumAvg: 4.6 atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } atom: 319 31Y-H N 9.791 ambi=1 { N:127.894 } ::sumAvg: 4.255 atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } atom: 320 31Y-HA A 5.153 ambi=1 { CA:55.813 } ::sumAvg: 4.395 atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } :: atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } ::sumAvg: 3.84 atom: 366 35D-H N 7.714 ambi=1 { N:125.352 } atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } :: atom: 366 35D-H N 7.714 ambi=1 { N:125.352 } atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } ::sumAvg: 4.585 atom: 396 38Q-HE21 E2 7.284 ambi=1 { NE2:112.222 } atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } :: atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } atom: 321 31Y-HB2 B 2.881 ambi=2 { CB:41.157 } :: atom: 396 38Q-HE21 E2 7.284 ambi=1 { NE2:112.222 } atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } :: atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } atom: 322 31Y-HB3 B 2.635 ambi=2 { CB:41.157 } ::sumAvg: 2.855 atom: 331 32T-H N 9.143 ambi=1 { N:111.101 } atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } ::sumAvg: 4.235 atom: 374 36D-H N 9.09 ambi=1 { N:128.363 } atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } ::sumAvg: 4.66 atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } ::sumAvg: 3.395 atom: 572 54I-H N 8.783 ambi=1 { N:119.458 } atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } ::sumAvg: 4.775 atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } atom: 323 31Y-QD D 6.928 ambi=3 { CD1:133.633 } ::sumAvg: 4.57 atom: 374 36D-H N 9.09 ambi=1 { N:128.363 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } ::sumAvg: 4.445 atom: 382 37S-H N 8.95 ambi=1 { N:114.863 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } ::sumAvg: 4.77 atom: 390 38Q-H N 7.631 ambi=1 { N:121.85 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } ::sumAvg: 3.845 atom: 396 38Q-HE21 E2 7.284 ambi=1 { NE2:112.222 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } :: atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } ::sumAvg: 4.47 atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } atom: 324 31Y-QE E 6.727 ambi=3 { CE1:117.584 } ::sumAvg: 4.445 atom: 331 32T-H N 9.143 ambi=1 { N:111.101 } atom: 342 33K-HB2 B 1.657 ambi=2 { CB:35.335 } :: atom: 331 32T-H N 9.143 ambi=1 { N:111.101 } atom: 343 33K-HB3 B 1.337 ambi=2 { CB:35.335 } ::sumAvg: 4.555 atom: 331 32T-H N 9.143 ambi=1 { N:111.101 } atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } ::sumAvg: 4.365 atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } atom: 331 32T-H N 9.143 ambi=1 { N:111.101 } ::sumAvg: 4.365 atom: 572 54I-H N 8.783 ambi=1 { N:119.458 } atom: 332 32T-HA A 4.593 ambi=1 { CA:61.611 } ::sumAvg: 3.875 atom: 340 33K-H N 8.351 ambi=1 { N:122.475 } atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } ::sumAvg: 4.43 atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } atom: 342 33K-HB2 B 1.657 ambi=2 { CB:35.335 } :: atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } atom: 343 33K-HB3 B 1.337 ambi=2 { CB:35.335 } ::sumAvg: 3.11 atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } atom: 344 33K-HG2 G 1.514 ambi=2 { CG:23.313 } ::sumAvg: 3.455 atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } atom: 366 35D-H N 7.714 ambi=1 { N:125.352 } ::sumAvg: 4.06 atom: 366 35D-H N 7.714 ambi=1 { N:125.352 } atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } ::sumAvg: 4.06 atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } atom: 368 35D-HB2 B 2.535 ambi=2 { CB:46.385 } :: atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } atom: 369 35D-HB3 B 2.194 ambi=2 { CB:46.385 } ::sumAvg: 4.68 atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } atom: 396 38Q-HE21 E2 7.284 ambi=1 { NE2:112.222 } ::sumAvg: 4.65 atom: 396 38Q-HE21 E2 7.284 ambi=1 { NE2:112.222 } atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } ::sumAvg: 4.65 atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } atom: 481 46L-HB2 B 1.838 ambi=2 { CB:41.967 } :: atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } ::sumAvg: 4.305 atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 355 34V-H N 8.48 ambi=1 { N:122.663 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 3.135 atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } :: atom: 451 43N-HD22 D2 6.898 ambi=1 { ND2:114.02 } atom: 356 34V-HA A 3.618 ambi=1 { CA:63.644 } ::sumAvg: 4.215 atom: 390 38Q-H N 7.631 ambi=1 { N:121.85 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 390 38Q-H N 7.631 ambi=1 { N:121.85 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } ::sumAvg: 4.975 atom: 396 38Q-HE21 E2 7.284 ambi=1 { NE2:112.222 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } atom: 358 34V-HG1 G1 0.714 ambi=2 { CG1:21.249 } :: atom: 396 38Q-HE21 E2 7.284 ambi=1 { NE2:112.222 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } :: atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } atom: 359 34V-HG2 G2 0.914 ambi=2 { CG2:22.395 } ::sumAvg: 3.415 atom: 366 35D-H N 7.714 ambi=1 { N:125.352 } atom: 374 36D-H N 9.09 ambi=1 { N:128.363 } ::sumAvg: 3.87 atom: 374 36D-H N 9.09 ambi=1 { N:128.363 } atom: 366 35D-H N 7.714 ambi=1 { N:125.352 } ::sumAvg: 3.87 atom: 366 35D-H N 7.714 ambi=1 { N:125.352 } atom: 377 36D-QB B 2.685 ambi=2 { CB:40.63 } ::sumAvg: 4.56 atom: 366 35D-H N 7.714 ambi=1 { N:125.352 } atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } ::sumAvg: 4.04 atom: 374 36D-H N 9.09 ambi=1 { N:128.363 } atom: 367 35D-HA A 4.705 ambi=1 { CA:54.31 } ::sumAvg: 2.795 atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } atom: 367 35D-HA A 4.705 ambi=1 { CA:54.31 } ::sumAvg: 4.78 atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } atom: 368 35D-HB2 B 2.535 ambi=2 { CB:46.385 } :: atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } atom: 369 35D-HB3 B 2.194 ambi=2 { CB:46.385 } ::sumAvg: 4.895 atom: 374 36D-H N 9.09 ambi=1 { N:128.363 } atom: 377 36D-QB B 2.685 ambi=2 { CB:40.63 } ::sumAvg: 3.085 atom: 390 38Q-H N 7.631 ambi=1 { N:121.85 } atom: 374 36D-H N 9.09 ambi=1 { N:128.363 } ::sumAvg: 4.23 atom: 390 38Q-H N 7.631 ambi=1 { N:121.85 } atom: 377 36D-QB B 2.685 ambi=2 { CB:40.63 } ::sumAvg: 4.09 atom: 382 37S-H N 8.95 ambi=1 { N:114.863 } atom: 391 38Q-HA A 4.519 ambi=1 { CA:53.582 } ::sumAvg: 4.765 atom: 390 38Q-H N 7.631 ambi=1 { N:121.85 } atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } ::sumAvg: 4.505 atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } atom: 390 38Q-H N 7.631 ambi=1 { N:121.85 } ::sumAvg: 4.505 atom: 451 43N-HD22 D2 6.898 ambi=1 { ND2:114.02 } atom: 390 38Q-H N 7.631 ambi=1 { N:121.85 } ::sumAvg: 4.26 atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } atom: 392 38Q-HB2 B 2.012 ambi=2 { CB:26.372 } :: atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } atom: 393 38Q-HB3 B 1.311 ambi=2 { CB:26.372 } ::sumAvg: 4.86 atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } ::sumAvg: 4.885 atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } :: atom: 451 43N-HD22 D2 6.898 ambi=1 { ND2:114.02 } atom: 394 38Q-QG G 2.394 ambi=2 { CG:35.863 } ::sumAvg: 3.26 atom: 396 38Q-HE21 E2 7.284 ambi=1 { NE2:112.222 } atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } ::sumAvg: 4.77 atom: 396 38Q-HE21 E2 7.284 ambi=1 { NE2:112.222 } atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } :: atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } atom: 447 43N-HA A 4.223 ambi=1 { CA:55.562 } ::sumAvg: 3.83 atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } :: atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } atom: 451 43N-HD22 D2 6.898 ambi=1 { ND2:114.02 } ::sumAvg: 4.47 atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } :: atom: 451 43N-HD22 D2 6.898 ambi=1 { ND2:114.02 } atom: 397 38Q-HE22 E2 8.204 ambi=1 { NE2:112.222 } ::sumAvg: 4.47 atom: 396 38Q-HE21 E2 7.284 ambi=1 { NE2:112.222 } atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } ::sumAvg: 4.89 atom: 396 38Q-HE21 E2 7.284 ambi=1 { NE2:112.222 } atom: 578 54I-HD1 D1 0.886 ambi=1 { CD1:18.297 } ::sumAvg: 4.585 atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } atom: 403 39P-HA A 4.31 ambi=1 { CA:62.492 } ::sumAvg: 4.435 atom: 422 41F-H N 8.059 ambi=1 { N:112.471 } atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } :: atom: 422 41F-H N 8.059 ambi=1 { N:112.471 } atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } ::sumAvg: 4.99 atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } atom: 406 39P-HG2 G 2.051 ambi=2 { CG:27.862 } :: atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } atom: 407 39P-HG3 G 1.956 ambi=2 { CG:27.862 } ::sumAvg: 3.585 atom: 415 40A-H N 8.729 ambi=1 { N:127.083 } atom: 426 41F-QD D 7.092 ambi=3 { CD1:132.191 } ::sumAvg: 4.46 atom: 415 40A-H N 8.729 ambi=1 { N:127.083 } atom: 4262 41F-QE E 6.749 ambi=3 { CE1:128.727 } ::sumAvg: 4.82 atom: 415 40A-H N 8.729 ambi=1 { N:127.083 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } ::sumAvg: 4.315 atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } atom: 415 40A-H N 8.729 ambi=1 { N:127.083 } ::sumAvg: 4.315 atom: 415 40A-H N 8.729 ambi=1 { N:127.083 } atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } ::sumAvg: 4.94 atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } atom: 415 40A-H N 8.729 ambi=1 { N:127.083 } ::sumAvg: 4.94 atom: 415 40A-H N 8.729 ambi=1 { N:127.083 } atom: 451 43N-HD22 D2 6.898 ambi=1 { ND2:114.02 } ::sumAvg: 4.945 atom: 451 43N-HD22 D2 6.898 ambi=1 { ND2:114.02 } atom: 415 40A-H N 8.729 ambi=1 { N:127.083 } ::sumAvg: 4.945 atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } atom: 416 40A-HA A 3.972 ambi=1 { CA:56.013 } ::sumAvg: 4.185 atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } atom: 417 40A-HB B 1.426 ambi=1 { CB:17.68 } ::sumAvg: 4.49 atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } atom: 417 40A-HB B 1.426 ambi=1 { CB:17.68 } ::sumAvg: 4.265 atom: 451 43N-HD22 D2 6.898 ambi=1 { ND2:114.02 } atom: 417 40A-HB B 1.426 ambi=1 { CB:17.68 } ::sumAvg: 4.77 atom: 422 41F-H N 8.059 ambi=1 { N:112.471 } atom: 4262 41F-QE E 6.749 ambi=3 { CE1:128.727 } ::sumAvg: 3.925 atom: 422 41F-H N 8.059 ambi=1 { N:112.471 } atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } ::sumAvg: 4.73 atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } atom: 422 41F-H N 8.059 ambi=1 { N:112.471 } ::sumAvg: 4.045 atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } ::sumAvg: 4.025 atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } atom: 423 41F-HA A 4.129 ambi=1 { CA:59.819 } ::sumAvg: 3.57 atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } :: atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } atom: 451 43N-HD22 D2 6.898 ambi=1 { ND2:114.02 } ::sumAvg: 4.125 atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } :: atom: 451 43N-HD22 D2 6.898 ambi=1 { ND2:114.02 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } ::sumAvg: 4.125 atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } ::sumAvg: 4.255 atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } ::sumAvg: 4.255 atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } ::sumAvg: 4.715 atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } atom: 869 81V-HG1 G1 0.654 ambi=2 { CG1:21.069 } :: atom: 432 42I-H N 5.614 ambi=1 { N:120.594 } atom: 870 81V-HG2 G2 0.862 ambi=2 { CG2:21.805 } ::sumAvg: 3.23 atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } ::sumAvg: 4.885 atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } atom: 433 42I-HA A 3.098 ambi=1 { CA:59.822 } ::sumAvg: 4.085 atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } :: atom: 451 43N-HD22 D2 6.898 ambi=1 { ND2:114.02 } atom: 434 42I-HB B 1.563 ambi=1 { CB:34.539 } ::sumAvg: 3.53 atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } atom: 435 42I-HG12 G1 0.31 ambi=2 { CG1:24.886 } :: atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } atom: 436 42I-HG13 G1 -0.078 ambi=2 { CG1:24.886 } ::sumAvg: 4.755 atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } :: atom: 451 43N-HD22 D2 6.898 ambi=1 { ND2:114.02 } atom: 437 42I-HG2 G2 -0.131 ambi=1 { CG2:16.343 } ::sumAvg: 2.65 atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } ::sumAvg: 4.78 atom: 465 45I-H N 7.604 ambi=1 { N:121.473 } atom: 438 42I-HD1 D1 0.166 ambi=1 { CD1:9.941 } ::sumAvg: 4.32 atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } atom: 465 45I-H N 7.604 ambi=1 { N:121.473 } ::sumAvg: 4.205 atom: 465 45I-H N 7.604 ambi=1 { N:121.473 } atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } ::sumAvg: 4.205 atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 446 43N-H N 7.082 ambi=1 { N:117.481 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 4.59 atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } atom: 448 43N-HB2 B 2.484 ambi=2 { CB:37.808 } :: atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } atom: 449 43N-HB3 B 2.761 ambi=2 { CB:37.808 } ::sumAvg: 2.615 atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } ::sumAvg: 4.395 atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } ::sumAvg: 4.395 atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } atom: 481 46L-HB2 B 1.838 ambi=2 { CB:41.967 } :: atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } ::sumAvg: 4.73 atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 450 43N-HD21 D2 7.386 ambi=1 { ND2:114.02 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } :: atom: 451 43N-HD22 D2 6.898 ambi=1 { ND2:114.02 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 451 43N-HD22 D2 6.898 ambi=1 { ND2:114.02 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 3.325 atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } ::sumAvg: 4.46 atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } ::sumAvg: 4.46 atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } ::sumAvg: 4.71 atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } ::sumAvg: 4.71 atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } :: atom: 457 44D-H N 8.379 ambi=1 { N:117.588 } atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } ::sumAvg: 4.84 atom: 510 48V-H N 7.791 ambi=1 { N:124.655 } atom: 458 44D-HA A 4.247 ambi=1 { CA:57.538 } ::sumAvg: 4.58 atom: 465 45I-H N 7.604 ambi=1 { N:121.473 } atom: 470 45I-HG2 G2 0.974 ambi=1 { CG2:19.491 } ::sumAvg: 3.735 atom: 465 45I-H N 7.604 ambi=1 { N:121.473 } atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } ::sumAvg: 3.55 atom: 465 45I-H N 7.604 ambi=1 { N:121.473 } atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } ::sumAvg: 4.05 atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } atom: 465 45I-H N 7.604 ambi=1 { N:121.473 } ::sumAvg: 4.05 atom: 465 45I-H N 7.604 ambi=1 { N:121.473 } atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } :: atom: 465 45I-H N 7.604 ambi=1 { N:121.473 } atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } ::sumAvg: 3.94 atom: 510 48V-H N 7.791 ambi=1 { N:124.655 } atom: 466 45I-HA A 3.687 ambi=1 { CA:65.907 } ::sumAvg: 3.43 atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } atom: 467 45I-HB B 1.872 ambi=1 { CB:37.886 } ::sumAvg: 4.74 atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } atom: 470 45I-HG2 G2 0.974 ambi=1 { CG2:19.491 } ::sumAvg: 3.145 atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } ::sumAvg: 4.32 atom: 866 81V-H N 7.413 ambi=1 { N:117.374 } atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } ::sumAvg: 4.535 atom: 877 82F-H N 7.266 ambi=1 { N:115.771 } atom: 471 45I-HD1 D1 0.941 ambi=1 { CD1:14.733 } ::sumAvg: 4.85 atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } ::sumAvg: 2.765 atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } atom: 495 47K-HB2 B 1.987 ambi=2 { CB:33.031 } :: atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } atom: 496 47K-HB3 B 1.732 ambi=2 { CB:33.031 } ::sumAvg: 4.8 atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } :: atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } ::sumAvg: 4.72 atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } :: atom: 479 46L-H N 7.863 ambi=1 { N:118.055 } atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } ::sumAvg: 4.25 atom: 510 48V-H N 7.791 ambi=1 { N:124.655 } atom: 481 46L-HB2 B 1.838 ambi=2 { CB:41.967 } :: atom: 510 48V-H N 7.791 ambi=1 { N:124.655 } atom: 482 46L-HB3 B 1.215 ambi=2 { CB:41.967 } ::sumAvg: 4.825 atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } atom: 483 46L-HG G 1.632 ambi=1 { CG:26.699 } ::sumAvg: 4.41 atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } atom: 484 46L-HD1 D1 0.454 ambi=2 { CD1:27.035 } :: atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } atom: 485 46L-HD2 D2 0.55 ambi=2 { CD2:22.131 } ::sumAvg: 4.475 atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } atom: 513 48V-HG1 G1 1.011 ambi=2 { CG1:22.915 } :: atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } atom: 514 48V-HG2 G2 0.994 ambi=2 { CG2:22.383 } ::sumAvg: 3.89 atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } atom: 541 51V-HG1 G1 0.806 ambi=2 { CG1:21.719 } :: atom: 493 47K-H N 7.161 ambi=1 { N:116.384 } atom: 542 51V-HG2 G2 0.754 ambi=2 { CG2:22.636 } ::sumAvg: 4.815 atom: 538 51V-H N 7.751 ambi=1 { N:120.498 } atom: 512 48V-HB B 2.524 ambi=1 { CB:30.987 } ::sumAvg: 4.46 atom: 538 51V-H N 7.751 ambi=1 { N:120.498 } atom: 521 49E-H N 8.569 ambi=1 { N:130.358 } ::sumAvg: 4.975 atom: 532 50G-H N 8.768 ambi=1 { N:114.068 } atom: 539 51V-HA A 3.768 ambi=1 { CA:64.61 } ::sumAvg: 4.885 atom: 532 50G-H N 8.768 ambi=1 { N:114.068 } atom: 549 52K-H N 9.379 ambi=1 { N:129.475 } ::sumAvg: 4.825 atom: 549 52K-H N 9.379 ambi=1 { N:129.475 } atom: 532 50G-H N 8.768 ambi=1 { N:114.068 } ::sumAvg: 4.825 atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } atom: 533 50G-HA2 A 4.185 ambi=2 { CA:44.705 } :: atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } atom: 534 50G-HA3 A 3.384 ambi=2 { CA:44.705 } ::sumAvg: 4.995 atom: 538 51V-H N 7.751 ambi=1 { N:120.498 } atom: 549 52K-H N 9.379 ambi=1 { N:129.475 } ::sumAvg: 3.515 atom: 549 52K-H N 9.379 ambi=1 { N:129.475 } atom: 538 51V-H N 7.751 ambi=1 { N:120.498 } ::sumAvg: 3.515 atom: 538 51V-H N 7.751 ambi=1 { N:120.498 } atom: 688 65K-HA A 5.21 ambi=1 { CA:52.981 } ::sumAvg: 4.815 atom: 549 52K-H N 9.379 ambi=1 { N:129.475 } atom: 565 53S-HA A 4.903 ambi=1 { CA:57.73 } ::sumAvg: 4.92 atom: 549 52K-H N 9.379 ambi=1 { N:129.475 } atom: 689 65K-HB2 B 1.118 ambi=2 { CB:34.777 } :: atom: 549 52K-H N 9.379 ambi=1 { N:129.475 } atom: 690 65K-HB3 B 0.449 ambi=2 { CB:34.777 } ::sumAvg: 4.94 atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } :: atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } ::sumAvg: 4.665 atom: 687 65K-H N 9.071 ambi=1 { N:120.964 } atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } :: atom: 687 65K-H N 9.071 ambi=1 { N:120.964 } atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } ::sumAvg: 3.975 atom: 704 66E-H N 8.282 ambi=1 { N:118.741 } atom: 551 52K-HB2 B 1.512 ambi=2 { CB:35.786 } :: atom: 704 66E-H N 8.282 ambi=1 { N:118.741 } atom: 552 52K-HB3 B 1.341 ambi=2 { CB:35.786 } ::sumAvg: 3.72 atom: 564 53S-H N 7.655 ambi=1 { N:108.885 } atom: 555 52K-HD2 D 1.666 ambi=2 { CD:29.438 } ::sumAvg: 4.86 atom: 564 53S-H N 7.655 ambi=1 { N:108.885 } atom: 572 54I-H N 8.783 ambi=1 { N:119.458 } ::sumAvg: 4.37 atom: 564 53S-H N 7.655 ambi=1 { N:108.885 } atom: 573 54I-HA A 5.054 ambi=1 { CA:60.602 } ::sumAvg: 4.695 atom: 564 53S-H N 7.655 ambi=1 { N:108.885 } atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } :: atom: 564 53S-H N 7.655 ambi=1 { N:108.885 } atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } ::sumAvg: 4.185 atom: 564 53S-H N 7.655 ambi=1 { N:108.885 } atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } ::sumAvg: 4.94 atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } atom: 566 53S-HB2 B 3.881 ambi=2 { CB:64.653 } :: atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } atom: 567 53S-HB3 B 3.767 ambi=2 { CB:64.653 } ::sumAvg: 4.96 atom: 572 54I-H N 8.783 ambi=1 { N:119.458 } atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } ::sumAvg: 4.805 atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } atom: 575 54I-HG12 G1 1.66 ambi=2 { CG1:27.818 } :: atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } atom: 576 54I-HG13 G1 1.062 ambi=2 { CG1:27.818 } ::sumAvg: 4 atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } ::sumAvg: 4.625 atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } atom: 577 54I-HG2 G2 1.021 ambi=1 { CG2:18.616 } ::sumAvg: 4.665 atom: 586 55F-H N 9.142 ambi=1 { N:129.664 } atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } ::sumAvg: 4.34 atom: 586 55F-H N 9.142 ambi=1 { N:129.664 } atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } ::sumAvg: 4.635 atom: 586 55F-H N 9.142 ambi=1 { N:129.664 } atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } ::sumAvg: 4.685 atom: 586 55F-H N 9.142 ambi=1 { N:129.664 } atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } ::sumAvg: 2.92 atom: 586 55F-H N 9.142 ambi=1 { N:129.664 } atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } ::sumAvg: 4.775 atom: 586 55F-H N 9.142 ambi=1 { N:129.664 } atom: 671 63V-HG1 G1 1.17 ambi=2 { CG1:22.012 } :: atom: 586 55F-H N 9.142 ambi=1 { N:129.664 } atom: 672 63V-HG2 G2 1.139 ambi=2 { CG2:22.19 } ::sumAvg: 4.03 atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } atom: 587 55F-HA A 5.598 ambi=1 { CA:55.938 } ::sumAvg: 2.145 atom: 606 57V-H N 8.072 ambi=1 { N:127.671 } atom: 590 55F-QD D 7.333 ambi=3 { CD1:131.916 } ::sumAvg: 4.95 atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } atom: 606 57V-H N 8.072 ambi=1 { N:127.671 } ::sumAvg: 4.51 atom: 606 57V-H N 8.072 ambi=1 { N:127.671 } atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } ::sumAvg: 4.51 atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } atom: 608 57V-HB B 1.217 ambi=1 { CB:34.14 } ::sumAvg: 4.815 atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } ::sumAvg: 4.975 atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } ::sumAvg: 4.855 atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } atom: 596 56H-H N 8.824 ambi=1 { N:129.16 } ::sumAvg: 4.855 atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } atom: 597 56H-HA A 5.531 ambi=1 { CA:52.836 } ::sumAvg: 3.53 atom: 606 57V-H N 8.072 ambi=1 { N:127.671 } atom: 617 58M-H N 9.14 ambi=1 { N:119.988 } ::sumAvg: 4.285 atom: 617 58M-H N 9.14 ambi=1 { N:119.988 } atom: 606 57V-H N 8.072 ambi=1 { N:127.671 } ::sumAvg: 4.285 atom: 606 57V-H N 8.072 ambi=1 { N:127.671 } atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } ::sumAvg: 4.81 atom: 606 57V-H N 8.072 ambi=1 { N:127.671 } atom: 649 61I-HG12 G1 2.033 ambi=2 { CG1:25.725 } :: atom: 606 57V-H N 8.072 ambi=1 { N:127.671 } atom: 650 61I-HG13 G1 1.27 ambi=2 { CG1:25.725 } ::sumAvg: 3.64 atom: 606 57V-H N 8.072 ambi=1 { N:127.671 } atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } ::sumAvg: 4.965 atom: 606 57V-H N 8.072 ambi=1 { N:127.671 } atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } ::sumAvg: 4.665 atom: 628 59D-H N 8.751 ambi=1 { N:122.637 } atom: 609 57V-HG1 G1 0.278 ambi=2 { CG1:21.368 } :: atom: 628 59D-H N 8.751 ambi=1 { N:122.637 } atom: 610 57V-HG2 G2 0.787 ambi=2 { CG2:22.132 } ::sumAvg: 4.305 atom: 636 60F-H N 8.971 ambi=1 { N:115.459 } atom: 618 58M-HA A 3.804 ambi=1 { CA:57.73 } ::sumAvg: 4.775 atom: 636 60F-H N 8.971 ambi=1 { N:115.459 } atom: 621 58M-QG G 2.667 ambi=2 { CG:32.834 } ::sumAvg: 3.7 atom: 628 59D-H N 8.751 ambi=1 { N:122.637 } atom: 637 60F-HA A 5.885 ambi=1 { CA:56.469 } ::sumAvg: 4.91 atom: 628 59D-H N 8.751 ambi=1 { N:122.637 } atom: 638 60F-HB2 B 2.981 ambi=2 { CB:42.851 } :: atom: 628 59D-H N 8.751 ambi=1 { N:122.637 } atom: 639 60F-HB3 B 2.938 ambi=2 { CB:42.851 } ::sumAvg: 4.115 atom: 636 60F-H N 8.971 ambi=1 { N:115.459 } atom: 6402 60F-QE E 7.32 ambi=3 { CE1:130.678 } ::sumAvg: 4.515 atom: 636 60F-H N 8.971 ambi=1 { N:115.459 } atom: 647 61I-HA A 5.78 ambi=1 { CA:58.28 } ::sumAvg: 4.745 atom: 636 60F-H N 8.971 ambi=1 { N:115.459 } atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } ::sumAvg: 4.9 atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } atom: 652 61I-HD1 D1 0.923 ambi=1 { CD1:14.183 } ::sumAvg: 3.165 atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } ::sumAvg: 4.355 atom: 646 61I-H N 8.965 ambi=1 { N:109.286 } atom: 661 62S-HA A 5.645 ambi=1 { CA:56.894 } ::sumAvg: 4.83 atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } atom: 648 61I-HB B 1.766 ambi=1 { CB:41.093 } ::sumAvg: 4.04 atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } atom: 651 61I-HG2 G2 0.792 ambi=1 { CG2:18.323 } ::sumAvg: 4.345 atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } ::sumAvg: 4.395 atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } atom: 660 62S-H N 9.952 ambi=1 { N:121.046 } ::sumAvg: 4.395 atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } ::sumAvg: 4.185 atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } ::sumAvg: 4.185 atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } atom: 680 64D-HA A 6.215 ambi=1 { CA:52.125 } ::sumAvg: 4.805 atom: 668 63V-H N 9.529 ambi=1 { N:129.348 } atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } ::sumAvg: 4.56 atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } atom: 669 63V-HA A 4.699 ambi=1 { CA:61.707 } ::sumAvg: 2.145 atom: 679 64D-H N 9.093 ambi=1 { N:127.869 } atom: 7572 71W-HH2 H2 7.224 ambi=1 { CH2:125.27 } ::sumAvg: 4.97 atom: 687 65K-H N 9.071 ambi=1 { N:120.964 } atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } ::sumAvg: 4.575 atom: 687 65K-H N 9.071 ambi=1 { N:120.964 } atom: 704 66E-H N 8.282 ambi=1 { N:118.741 } ::sumAvg: 4.425 atom: 704 66E-H N 8.282 ambi=1 { N:118.741 } atom: 687 65K-H N 9.071 ambi=1 { N:120.964 } ::sumAvg: 4.425 atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } atom: 693 65K-HD2 D 0.173 ambi=2 { CD:28.363 } :: atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } atom: 694 65K-HD3 D -1.016 ambi=2 { CD:28.363 } ::sumAvg: 4.47 atom: 704 66E-H N 8.282 ambi=1 { N:118.741 } atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } ::sumAvg: 4.74 atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } atom: 695 65K-QE E 2.641 ambi=2 { CE:42.792 } ::sumAvg: 4.685 atom: 704 66E-H N 8.282 ambi=1 { N:118.741 } atom: 715 67N-H N 9.071 ambi=1 { N:122.06 } ::sumAvg: 4.48 atom: 704 66E-H N 8.282 ambi=1 { N:118.741 } atom: 734 69A-H N 7.131 ambi=1 { N:122.269 } ::sumAvg: 4.75 atom: 715 67N-H N 9.071 ambi=1 { N:122.06 } atom: 708 66E-HG2 G 2.3 ambi=2 { CG:35.198 } :: atom: 715 67N-H N 9.071 ambi=1 { N:122.06 } atom: 709 66E-HG3 G 2.051 ambi=2 { CG:35.198 } ::sumAvg: 3.775 atom: 715 67N-H N 9.071 ambi=1 { N:122.06 } atom: 719 67N-HD21 D2 7.719 ambi=1 { ND2:114.356 } :: atom: 715 67N-H N 9.071 ambi=1 { N:122.06 } atom: 720 67N-HD22 D2 6.991 ambi=1 { ND2:114.356 } ::sumAvg: 3.585 atom: 719 67N-HD21 D2 7.719 ambi=1 { ND2:114.356 } atom: 715 67N-H N 9.071 ambi=1 { N:122.06 } :: atom: 720 67N-HD22 D2 6.991 ambi=1 { ND2:114.356 } atom: 715 67N-H N 9.071 ambi=1 { N:122.06 } ::sumAvg: 3.585 atom: 726 68D-H N 8.322 ambi=1 { N:112.268 } atom: 715 67N-H N 9.071 ambi=1 { N:122.06 } ::sumAvg: 2.825 atom: 715 67N-H N 9.071 ambi=1 { N:122.06 } atom: 734 69A-H N 7.131 ambi=1 { N:122.269 } ::sumAvg: 4.38 atom: 734 69A-H N 7.131 ambi=1 { N:122.269 } atom: 715 67N-H N 9.071 ambi=1 { N:122.06 } ::sumAvg: 4.38 atom: 715 67N-H N 9.071 ambi=1 { N:122.06 } atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } ::sumAvg: 4.88 atom: 719 67N-HD21 D2 7.719 ambi=1 { ND2:114.356 } atom: 716 67N-HA A 4.385 ambi=1 { CA:56.903 } :: atom: 720 67N-HD22 D2 6.991 ambi=1 { ND2:114.356 } atom: 716 67N-HA A 4.385 ambi=1 { CA:56.903 } ::sumAvg: 3.31 atom: 734 69A-H N 7.131 ambi=1 { N:122.269 } atom: 718 67N-QB B 2.779 ambi=2 { CB:39.018 } ::sumAvg: 4.35 atom: 719 67N-HD21 D2 7.719 ambi=1 { ND2:114.356 } atom: 726 68D-H N 8.322 ambi=1 { N:112.268 } :: atom: 720 67N-HD22 D2 6.991 ambi=1 { ND2:114.356 } atom: 726 68D-H N 8.322 ambi=1 { N:112.268 } ::sumAvg: 4.345 atom: 726 68D-H N 8.322 ambi=1 { N:112.268 } atom: 719 67N-HD21 D2 7.719 ambi=1 { ND2:114.356 } :: atom: 726 68D-H N 8.322 ambi=1 { N:112.268 } atom: 720 67N-HD22 D2 6.991 ambi=1 { ND2:114.356 } ::sumAvg: 4.345 atom: 734 69A-H N 7.131 ambi=1 { N:122.269 } atom: 727 68D-HA A 4.527 ambi=1 { CA:53.915 } ::sumAvg: 3.54 atom: 734 69A-H N 7.131 ambi=1 { N:122.269 } atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } ::sumAvg: 4.56 atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } atom: 734 69A-H N 7.131 ambi=1 { N:122.269 } ::sumAvg: 4.56 atom: 745 70N-HD21 D2 7.759 ambi=1 { ND2:114.632 } atom: 735 69A-HA A 4.433 ambi=1 { CA:51.014 } ::sumAvg: 4.835 atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } atom: 736 69A-HB B 1.282 ambi=1 { CB:20.183 } ::sumAvg: 4.96 atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } atom: 745 70N-HD21 D2 7.759 ambi=1 { ND2:114.632 } ::sumAvg: 4.165 atom: 745 70N-HD21 D2 7.759 ambi=1 { ND2:114.632 } atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } ::sumAvg: 4.165 atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } ::sumAvg: 4.27 atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } ::sumAvg: 4.27 atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } ::sumAvg: 4.9 atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } atom: 775 73T-H N 7.481 ambi=1 { N:111.273 } ::sumAvg: 4.825 atom: 775 73T-H N 7.481 ambi=1 { N:111.273 } atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } ::sumAvg: 4.825 atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } atom: 777 73T-HB B 4.352 ambi=1 { CB:69.156 } ::sumAvg: 4.21 atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } atom: 784 74V-H N 8.012 ambi=1 { N:121.666 } ::sumAvg: 4.665 atom: 784 74V-H N 8.012 ambi=1 { N:121.666 } atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } ::sumAvg: 4.665 atom: 741 70N-H N 9.052 ambi=1 { N:118.796 } atom: 786 74V-HB B 1.887 ambi=1 { CB:34.587 } ::sumAvg: 4.665 atom: 745 70N-HD21 D2 7.759 ambi=1 { ND2:114.632 } atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } :: atom: 746 70N-HD22 D2 7.019 ambi=1 { ND2:114.632 } atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } ::sumAvg: 3.42 atom: 764 72E-H N 9.323 ambi=1 { N:117.581 } atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } ::sumAvg: 4.26 atom: 775 73T-H N 7.481 ambi=1 { N:111.273 } atom: 742 70N-HA A 5.067 ambi=1 { CA:51.256 } ::sumAvg: 4.695 atom: 784 74V-H N 8.012 ambi=1 { N:121.666 } atom: 743 70N-HB2 B 2.861 ambi=2 { CB:41.143 } :: atom: 784 74V-H N 8.012 ambi=1 { N:121.666 } atom: 744 70N-HB3 B 2.952 ambi=2 { CB:41.143 } ::sumAvg: 4.335 atom: 745 70N-HD21 D2 7.759 ambi=1 { ND2:114.632 } atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } ::sumAvg: 4.68 atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } atom: 745 70N-HD21 D2 7.759 ambi=1 { ND2:114.632 } ::sumAvg: 4.68 atom: 745 70N-HD21 D2 7.759 ambi=1 { ND2:114.632 } atom: 777 73T-HB B 4.352 ambi=1 { CB:69.156 } ::sumAvg: 4.56 atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } atom: 768 72E-QG G 2.416 ambi=2 { CG:36.943 } ::sumAvg: 4.615 atom: 775 73T-H N 7.481 ambi=1 { N:111.273 } atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } ::sumAvg: 3.77 atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } ::sumAvg: 4.915 atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } atom: 784 74V-H N 8.012 ambi=1 { N:121.666 } ::sumAvg: 4.62 atom: 784 74V-H N 8.012 ambi=1 { N:121.666 } atom: 752 71W-H N 9.49 ambi=1 { N:125.989 } ::sumAvg: 4.62 atom: 764 72E-H N 9.323 ambi=1 { N:117.581 } atom: 753 71W-HA A 4.647 ambi=1 { CA:60.624 } ::sumAvg: 3.55 atom: 775 73T-H N 7.481 ambi=1 { N:111.273 } atom: 754 71W-HB2 B 3.356 ambi=2 { CB:30.141 } :: atom: 775 73T-H N 7.481 ambi=1 { N:111.273 } atom: 755 71W-HB3 B 3.273 ambi=2 { CB:30.141 } ::sumAvg: 4.75 atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } atom: 754 71W-HB2 B 3.356 ambi=2 { CB:30.141 } :: atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } atom: 755 71W-HB3 B 3.273 ambi=2 { CB:30.141 } ::sumAvg: 4.105 atom: 757 71W-HE1 E1 9.956 ambi=1 { NE1:127.607 } atom: 7571 71W-HZ2 Z2 7.494 ambi=1 { CZ2:115.95 } ::sumAvg: 2.855 atom: 764 72E-H N 9.323 ambi=1 { N:117.581 } atom: 784 74V-H N 8.012 ambi=1 { N:121.666 } ::sumAvg: 4.39 atom: 784 74V-H N 8.012 ambi=1 { N:121.666 } atom: 764 72E-H N 9.323 ambi=1 { N:117.581 } ::sumAvg: 4.39 atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } atom: 765 72E-HA A 4.171 ambi=1 { CA:59.758 } ::sumAvg: 3.855 atom: 775 73T-H N 7.481 ambi=1 { N:111.273 } atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } ::sumAvg: 3.705 atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } atom: 778 73T-HG2 G2 1.274 ambi=1 { CG2:22.043 } ::sumAvg: 4.43 atom: 784 74V-H N 8.012 ambi=1 { N:121.666 } atom: 797 75L-QB B 2.04 ambi=2 { CB:39.556 } ::sumAvg: 4.24 atom: 820 77K-H N 6.904 ambi=1 { N:115.74 } atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } ::sumAvg: 4.25 atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } ::sumAvg: 4.91 atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } :: atom: 795 75L-H N 9.422 ambi=1 { N:118.983 } atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } ::sumAvg: 4.245 atom: 820 77K-H N 6.904 ambi=1 { N:115.74 } atom: 797 75L-QB B 2.04 ambi=2 { CB:39.556 } ::sumAvg: 4.455 atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } atom: 797 75L-QB B 2.04 ambi=2 { CB:39.556 } ::sumAvg: 4.79 atom: 848 79E-H N 8.853 ambi=1 { N:117.081 } atom: 797 75L-QB B 2.04 ambi=2 { CB:39.556 } ::sumAvg: 4.695 atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } atom: 808 76P-HA A 4.518 ambi=1 { CA:66.204 } ::sumAvg: 4.82 atom: 820 77K-H N 6.904 ambi=1 { N:115.74 } atom: 826 77K-HD2 D 1.824 ambi=2 { CD:29.728 } :: atom: 820 77K-H N 6.904 ambi=1 { N:115.74 } atom: 827 77K-HD3 D 1.835 ambi=2 { CD:29.728 } ::sumAvg: 3.22 atom: 820 77K-H N 6.904 ambi=1 { N:115.74 } atom: 829 77K-QE E 3.0605 ambi=2 { CE:42.395 } ::sumAvg: 4.465 atom: 820 77K-H N 6.904 ambi=1 { N:115.74 } atom: 848 79E-H N 8.853 ambi=1 { N:117.081 } ::sumAvg: 4.09 atom: 820 77K-H N 6.904 ambi=1 { N:115.74 } atom: 859 80A-H N 7.603 ambi=1 { N:119.149 } ::sumAvg: 4.87 atom: 859 80A-H N 7.603 ambi=1 { N:119.149 } atom: 820 77K-H N 6.904 ambi=1 { N:115.74 } ::sumAvg: 4.87 atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } atom: 850 79E-HB2 B 2.095 ambi=2 { CB:29.786 } :: atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } atom: 851 79E-HB3 B 2.126 ambi=2 { CB:29.786 } ::sumAvg: 4.935 atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } atom: 859 80A-H N 7.603 ambi=1 { N:119.149 } ::sumAvg: 4.23 atom: 859 80A-H N 7.603 ambi=1 { N:119.149 } atom: 837 78V-H N 8.054 ambi=1 { N:121.351 } ::sumAvg: 4.23 atom: 866 81V-H N 7.413 ambi=1 { N:117.374 } atom: 838 78V-HA A 3.664 ambi=1 { CA:66.98 } ::sumAvg: 3.6 atom: 848 79E-H N 8.853 ambi=1 { N:117.081 } atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } ::sumAvg: 2.475 atom: 859 80A-H N 7.603 ambi=1 { N:119.149 } atom: 839 78V-HB B 2.57 ambi=1 { CB:31.618 } ::sumAvg: 4.99 atom: 866 81V-H N 7.413 ambi=1 { N:117.374 } atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } :: atom: 866 81V-H N 7.413 ambi=1 { N:117.374 } atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } ::sumAvg: 4.3 atom: 877 82F-H N 7.266 ambi=1 { N:115.771 } atom: 840 78V-HG1 G1 1.06 ambi=2 { CG1:21.172 } :: atom: 877 82F-H N 7.266 ambi=1 { N:115.771 } atom: 841 78V-HG2 G2 1.174 ambi=2 { CG2:23.651 } ::sumAvg: 4.375 atom: 848 79E-H N 8.853 ambi=1 { N:117.081 } atom: 866 81V-H N 7.413 ambi=1 { N:117.374 } ::sumAvg: 4.285 atom: 866 81V-H N 7.413 ambi=1 { N:117.374 } atom: 848 79E-H N 8.853 ambi=1 { N:117.081 } ::sumAvg: 4.285 atom: 887 83E-H N 7.681 ambi=1 { N:119.191 } atom: 849 79E-HA A 3.968 ambi=1 { CA:60.369 } ::sumAvg: 4.83 atom: 859 80A-H N 7.603 ambi=1 { N:119.149 } atom: 852 79E-HG2 G 2.446 ambi=2 { CG:36.953 } :: atom: 859 80A-H N 7.603 ambi=1 { N:119.149 } atom: 853 79E-HG3 G 2.04 ambi=2 { CG:36.953 } ::sumAvg: 4.165 atom: 859 80A-H N 7.603 ambi=1 { N:119.149 } atom: 889 83E-HB2 B 2.187 ambi=2 { CB:30.241 } :: atom: 859 80A-H N 7.603 ambi=1 { N:119.149 } atom: 890 83E-HB3 B 2.05 ambi=2 { CB:30.241 } ::sumAvg: 4.705 atom: 877 82F-H N 7.266 ambi=1 { N:115.771 } atom: 860 80A-HA A 4.192 ambi=1 { CA:54.425 } ::sumAvg: 4.86 atom: 887 83E-H N 7.681 ambi=1 { N:119.191 } atom: 860 80A-HA A 4.192 ambi=1 { CA:54.425 } ::sumAvg: 3.965 atom: 898 84L-H N 7.903 ambi=1 { N:121.583 } atom: 861 80A-HB B 1.537 ambi=1 { CB:18.257 } ::sumAvg: 4.86 atom: 866 81V-H N 7.413 ambi=1 { N:117.374 } atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } ::sumAvg: 4.935 atom: 877 82F-H N 7.266 ambi=1 { N:115.771 } atom: 8812 82F-QE E 6.767 ambi=3 { CE1:130.24 } ::sumAvg: 3.79 atom: 887 83E-H N 7.681 ambi=1 { N:119.191 } atom: 899 84L-HA A 4.237 ambi=1 { CA:55.723 } ::sumAvg: 4.51 atom: 912 85E-H N 8.252 ambi=1 { N:120.473 } atom: 888 83E-HA A 4.321 ambi=1 { CA:56.783 } ::sumAvg: 4.49 atom: 898 84L-H N 7.903 ambi=1 { N:121.583 } atom: 913 85E-HA A 4.123 ambi=1 { CA:56.98 } ::sumAvg: 4.675 atom: 898 84L-H N 7.903 ambi=1 { N:121.583 } atom: 914 85E-QB B 1.934 ambi=2 { CB:30.05 } ::sumAvg: 4.63 atom: 923 86H-H N 8.23 ambi=1 { N:118.888 } atom: 903 84L-HD1 D1 0.904 ambi=2 { CD1:24.95 } :: atom: 923 86H-H N 8.23 ambi=1 { N:118.888 } atom: 904 84L-HD2 D2 0.861 ambi=2 { CD2:23.501 } ::sumAvg: 4.64 atom: 923 86H-H N 8.23 ambi=1 { N:118.888 } atom: 914 85E-QB B 1.934 ambi=2 { CB:30.05 } ::sumAvg: 2.85 atom: 931 87H-H N 8.163 ambi=1 { N:125.354 } atom: 914 85E-QB B 1.934 ambi=2 { CB:30.05 } ::sumAvg: 4.17 atom: 923 86H-H N 8.23 ambi=1 { N:118.888 } atom: 925 86H-QB B 3.1245 ambi=2 { CB:29.924 } ::sumAvg: 2.465 atom: 931 87H-H N 8.163 ambi=1 { N:125.354 } atom: 924 86H-HA A 4.587 ambi=1 { CA:56.036 } ::sumAvg: 2.835