# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for cnoeabs.peaks atom: 1 10H-HA A 4.584 ambi=1 { CA:56.144 } atom: 11 11M-QB B 1.893 ambi=2 { CB:32.096 } ::sumAvg: 4.4 atom: 11 11M-QB B 1.893 ambi=2 { CB:32.096 } atom: 1 10H-HA A 4.584 ambi=1 { CA:56.144 } ::sumAvg: 4.4 atom: 1 10H-HA A 4.584 ambi=1 { CA:56.144 } atom: 595 66V-HG1 G1 1.116 ambi=2 { CG1:21.65 } :: atom: 1 10H-HA A 4.584 ambi=1 { CA:56.144 } atom: 596 66V-HG2 G2 1.041 ambi=2 { CG2:22.54 } ::sumAvg: 4.195 atom: 3 10H-QB B 3.0575 ambi=2 { CB:30.024 } atom: 9 11M-HA A 4.318 ambi=1 { CA:55.347 } ::sumAvg: 4.355 atom: 9 11M-HA A 4.318 ambi=1 { CA:55.347 } atom: 3 10H-QB B 3.0575 ambi=2 { CB:30.024 } ::sumAvg: 4.355 atom: 3 10H-QB B 3.0575 ambi=2 { CB:30.024 } atom: 11 11M-QB B 1.893 ambi=2 { CB:32.096 } ::sumAvg: 4.595 atom: 11 11M-QB B 1.893 ambi=2 { CB:32.096 } atom: 3 10H-QB B 3.0575 ambi=2 { CB:30.024 } ::sumAvg: 4.595 atom: 3 10H-QB B 3.0575 ambi=2 { CB:30.024 } atom: 12 11M-HG2 G 2.315 ambi=2 { CG:31.621 } :: atom: 3 10H-QB B 3.0575 ambi=2 { CB:30.024 } atom: 13 11M-HG3 G 2.249 ambi=2 { CG:31.621 } ::sumAvg: 4.955 atom: 12 11M-HG2 G 2.315 ambi=2 { CG:31.621 } atom: 3 10H-QB B 3.0575 ambi=2 { CB:30.024 } :: atom: 13 11M-HG3 G 2.249 ambi=2 { CG:31.621 } atom: 3 10H-QB B 3.0575 ambi=2 { CB:30.024 } ::sumAvg: 4.955 atom: 3 10H-QB B 3.0575 ambi=2 { CB:30.024 } atom: 20 12L-H N 7.857 ambi=1 { N:120.405 } ::sumAvg: 4.48 atom: 3 10H-QB B 3.0575 ambi=2 { CB:30.024 } atom: 24 12L-HG G 1.463 ambi=1 { CG:26.471 } ::sumAvg: 3.73 atom: 24 12L-HG G 1.463 ambi=1 { CG:26.471 } atom: 3 10H-QB B 3.0575 ambi=2 { CB:30.024 } ::sumAvg: 3.73 atom: 3 10H-QB B 3.0575 ambi=2 { CB:30.024 } atom: 25 12L-HD1 D1 0.745 ambi=2 { CD1:24.91 } :: atom: 3 10H-QB B 3.0575 ambi=2 { CB:30.024 } atom: 26 12L-HD2 D2 0.662 ambi=2 { CD2:22.699 } ::sumAvg: 3.84 atom: 3 10H-QB B 3.0575 ambi=2 { CB:30.024 } atom: 595 66V-HG1 G1 1.116 ambi=2 { CG1:21.65 } :: atom: 3 10H-QB B 3.0575 ambi=2 { CB:30.024 } atom: 596 66V-HG2 G2 1.041 ambi=2 { CG2:22.54 } ::sumAvg: 4.69 atom: 595 66V-HG1 G1 1.116 ambi=2 { CG1:21.65 } atom: 3 10H-QB B 3.0575 ambi=2 { CB:30.024 } :: atom: 596 66V-HG2 G2 1.041 ambi=2 { CG2:22.54 } atom: 3 10H-QB B 3.0575 ambi=2 { CB:30.024 } ::sumAvg: 4.69 atom: 4 10H-HD2 D2 7.005 ambi=1 { CD2:119.732 } atom: 8 11M-H N 8.102 ambi=1 { N:119.73 } ::sumAvg: 4.42 atom: 4 10H-HD2 D2 7.005 ambi=1 { CD2:119.732 } atom: 25 12L-HD1 D1 0.745 ambi=2 { CD1:24.91 } :: atom: 4 10H-HD2 D2 7.005 ambi=1 { CD2:119.732 } atom: 26 12L-HD2 D2 0.662 ambi=2 { CD2:22.699 } ::sumAvg: 4.63 atom: 9 11M-HA A 4.318 ambi=1 { CA:55.347 } atom: 25 12L-HD1 D1 0.745 ambi=2 { CD1:24.91 } :: atom: 9 11M-HA A 4.318 ambi=1 { CA:55.347 } atom: 26 12L-HD2 D2 0.662 ambi=2 { CD2:22.699 } ::sumAvg: 4.64 atom: 24 12L-HG G 1.463 ambi=1 { CG:26.471 } atom: 8 11M-H N 8.102 ambi=1 { N:119.73 } ::sumAvg: 4.08 atom: 25 12L-HD1 D1 0.745 ambi=2 { CD1:24.91 } atom: 8 11M-H N 8.102 ambi=1 { N:119.73 } :: atom: 26 12L-HD2 D2 0.662 ambi=2 { CD2:22.699 } atom: 8 11M-H N 8.102 ambi=1 { N:119.73 } ::sumAvg: 4.6 atom: 593 66V-HA A 3.61 ambi=1 { CA:65.201 } atom: 8 11M-H N 8.102 ambi=1 { N:119.73 } ::sumAvg: 4.89 atom: 595 66V-HG1 G1 1.116 ambi=2 { CG1:21.65 } atom: 8 11M-H N 8.102 ambi=1 { N:119.73 } :: atom: 596 66V-HG2 G2 1.041 ambi=2 { CG2:22.54 } atom: 8 11M-H N 8.102 ambi=1 { N:119.73 } ::sumAvg: 3.68 atom: 11 11M-QB B 1.893 ambi=2 { CB:32.096 } atom: 21 12L-HA A 4.609 ambi=1 { CA:53.77 } ::sumAvg: 4.34 atom: 24 12L-HG G 1.463 ambi=1 { CG:26.471 } atom: 11 11M-QB B 1.893 ambi=2 { CB:32.096 } ::sumAvg: 4.855 atom: 25 12L-HD1 D1 0.745 ambi=2 { CD1:24.91 } atom: 11 11M-QB B 1.893 ambi=2 { CB:32.096 } :: atom: 26 12L-HD2 D2 0.662 ambi=2 { CD2:22.699 } atom: 11 11M-QB B 1.893 ambi=2 { CB:32.096 } ::sumAvg: 4.87 atom: 11 11M-QB B 1.893 ambi=2 { CB:32.096 } atom: 102 19P-HD2 D 4.023 ambi=2 { CD:50.752 } :: atom: 11 11M-QB B 1.893 ambi=2 { CB:32.096 } atom: 103 19P-HD3 D 3.791 ambi=2 { CD:50.752 } ::sumAvg: 4.865 atom: 11 11M-QB B 1.893 ambi=2 { CB:32.096 } atom: 593 66V-HA A 3.61 ambi=1 { CA:65.201 } ::sumAvg: 4.95 atom: 593 66V-HA A 3.61 ambi=1 { CA:65.201 } atom: 11 11M-QB B 1.893 ambi=2 { CB:32.096 } ::sumAvg: 4.95 atom: 11 11M-QB B 1.893 ambi=2 { CB:32.096 } atom: 595 66V-HG1 G1 1.116 ambi=2 { CG1:21.65 } :: atom: 11 11M-QB B 1.893 ambi=2 { CB:32.096 } atom: 596 66V-HG2 G2 1.041 ambi=2 { CG2:22.54 } ::sumAvg: 3.58 atom: 595 66V-HG1 G1 1.116 ambi=2 { CG1:21.65 } atom: 11 11M-QB B 1.893 ambi=2 { CB:32.096 } :: atom: 596 66V-HG2 G2 1.041 ambi=2 { CG2:22.54 } atom: 11 11M-QB B 1.893 ambi=2 { CB:32.096 } ::sumAvg: 3.58 atom: 11 11M-QB B 1.893 ambi=2 { CB:32.096 } atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } ::sumAvg: 3.725 atom: 11 11M-QB B 1.893 ambi=2 { CB:32.096 } atom: 634 70Y-QD D 7.329 ambi=3 { CD1:132.797 CD2:132.996 } ::sumAvg: 4.89 atom: 634 70Y-QD D 7.329 ambi=3 { CD1:132.797 CD2:132.996 } atom: 11 11M-QB B 1.893 ambi=2 { CB:32.096 } ::sumAvg: 4.89 atom: 11 11M-QB B 1.893 ambi=2 { CB:32.096 } atom: 636 70Y-QE E 6.802 ambi=3 { CE1:117.898 } ::sumAvg: 4.345 atom: 101 19P-HG3 G 1.867 ambi=2 { CG:27.996 } atom: 12 11M-HG2 G 2.315 ambi=2 { CG:31.621 } ::sumAvg: 4.76 atom: 12 11M-HG2 G 2.315 ambi=2 { CG:31.621 } atom: 593 66V-HA A 3.61 ambi=1 { CA:65.201 } :: atom: 13 11M-HG3 G 2.249 ambi=2 { CG:31.621 } atom: 593 66V-HA A 3.61 ambi=1 { CA:65.201 } ::sumAvg: 4.77 atom: 593 66V-HA A 3.61 ambi=1 { CA:65.201 } atom: 12 11M-HG2 G 2.315 ambi=2 { CG:31.621 } :: atom: 593 66V-HA A 3.61 ambi=1 { CA:65.201 } atom: 13 11M-HG3 G 2.249 ambi=2 { CG:31.621 } ::sumAvg: 4.77 atom: 12 11M-HG2 G 2.315 ambi=2 { CG:31.621 } atom: 595 66V-HG1 G1 1.116 ambi=2 { CG1:21.65 } :: atom: 12 11M-HG2 G 2.315 ambi=2 { CG:31.621 } atom: 596 66V-HG2 G2 1.041 ambi=2 { CG2:22.54 } :: atom: 13 11M-HG3 G 2.249 ambi=2 { CG:31.621 } atom: 595 66V-HG1 G1 1.116 ambi=2 { CG1:21.65 } :: atom: 13 11M-HG3 G 2.249 ambi=2 { CG:31.621 } atom: 596 66V-HG2 G2 1.041 ambi=2 { CG2:22.54 } ::sumAvg: 4.21 atom: 595 66V-HG1 G1 1.116 ambi=2 { CG1:21.65 } atom: 12 11M-HG2 G 2.315 ambi=2 { CG:31.621 } :: atom: 596 66V-HG2 G2 1.041 ambi=2 { CG2:22.54 } atom: 12 11M-HG2 G 2.315 ambi=2 { CG:31.621 } :: atom: 595 66V-HG1 G1 1.116 ambi=2 { CG1:21.65 } atom: 13 11M-HG3 G 2.249 ambi=2 { CG:31.621 } :: atom: 596 66V-HG2 G2 1.041 ambi=2 { CG2:22.54 } atom: 13 11M-HG3 G 2.249 ambi=2 { CG:31.621 } ::sumAvg: 4.21 atom: 12 11M-HG2 G 2.315 ambi=2 { CG:31.621 } atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } :: atom: 13 11M-HG3 G 2.249 ambi=2 { CG:31.621 } atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } ::sumAvg: 4.03 atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } atom: 12 11M-HG2 G 2.315 ambi=2 { CG:31.621 } :: atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } atom: 13 11M-HG3 G 2.249 ambi=2 { CG:31.621 } ::sumAvg: 4.03 atom: 636 70Y-QE E 6.802 ambi=3 { CE1:117.898 } atom: 12 11M-HG2 G 2.315 ambi=2 { CG:31.621 } :: atom: 636 70Y-QE E 6.802 ambi=3 { CE1:117.898 } atom: 13 11M-HG3 G 2.249 ambi=2 { CG:31.621 } ::sumAvg: 4.25 atom: 12 11M-HG2 G 2.315 ambi=2 { CG:31.621 } atom: 662 73L-HD1 D1 0.775 ambi=2 { CD1:24.276 } :: atom: 12 11M-HG2 G 2.315 ambi=2 { CG:31.621 } atom: 663 73L-HD2 D2 0.839 ambi=2 { CD2:24.715 } :: atom: 13 11M-HG3 G 2.249 ambi=2 { CG:31.621 } atom: 662 73L-HD1 D1 0.775 ambi=2 { CD1:24.276 } :: atom: 13 11M-HG3 G 2.249 ambi=2 { CG:31.621 } atom: 663 73L-HD2 D2 0.839 ambi=2 { CD2:24.715 } ::sumAvg: 3.73 atom: 14 11M-HE E 1.768 ambi=1 { CE:16.186 } atom: 21 12L-HA A 4.609 ambi=1 { CA:53.77 } ::sumAvg: 4.96 atom: 14 11M-HE E 1.768 ambi=1 { CE:16.186 } atom: 631 70Y-HA A 4.398 ambi=1 { CA:61.488 } ::sumAvg: 3.425 atom: 14 11M-HE E 1.768 ambi=1 { CE:16.186 } atom: 632 70Y-HB2 B 2.984 ambi=2 { CB:37.489 } :: atom: 14 11M-HE E 1.768 ambi=1 { CE:16.186 } atom: 633 70Y-HB3 B 3.319 ambi=2 { CB:37.489 } ::sumAvg: 4.53 atom: 21 12L-HA A 4.609 ambi=1 { CA:53.77 } atom: 36 13T-HG2 G2 1.102 ambi=1 { CG2:21.44 } ::sumAvg: 3.85 atom: 100 19P-HG2 G 1.96 ambi=2 { CG:27.996 } atom: 21 12L-HA A 4.609 ambi=1 { CA:53.77 } :: atom: 101 19P-HG3 G 1.867 ambi=2 { CG:27.996 } atom: 21 12L-HA A 4.609 ambi=1 { CA:53.77 } ::sumAvg: 3.69 atom: 21 12L-HA A 4.609 ambi=1 { CA:53.77 } atom: 102 19P-HD2 D 4.023 ambi=2 { CD:50.752 } :: atom: 21 12L-HA A 4.609 ambi=1 { CA:53.77 } atom: 103 19P-HD3 D 3.791 ambi=2 { CD:50.752 } ::sumAvg: 2.47 atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } atom: 21 12L-HA A 4.609 ambi=1 { CA:53.77 } ::sumAvg: 4.18 atom: 662 73L-HD1 D1 0.775 ambi=2 { CD1:24.276 } atom: 21 12L-HA A 4.609 ambi=1 { CA:53.77 } :: atom: 663 73L-HD2 D2 0.839 ambi=2 { CD2:24.715 } atom: 21 12L-HA A 4.609 ambi=1 { CA:53.77 } ::sumAvg: 4.65 atom: 36 13T-HG2 G2 1.102 ambi=1 { CG2:21.44 } atom: 22 12L-HB2 B 1.598 ambi=2 { CB:43.73 } ::sumAvg: 4.025 atom: 22 12L-HB2 B 1.598 ambi=2 { CB:43.73 } atom: 41 14K-H N 8.882 ambi=1 { N:121.792 } :: atom: 23 12L-HB3 B 1.375 ambi=2 { CB:43.73 } atom: 41 14K-H N 8.882 ambi=1 { N:121.792 } ::sumAvg: 4.535 atom: 22 12L-HB2 B 1.598 ambi=2 { CB:43.73 } atom: 66 16G-H N 8.289 ambi=1 { N:108.56 } :: atom: 23 12L-HB3 B 1.375 ambi=2 { CB:43.73 } atom: 66 16G-H N 8.289 ambi=1 { N:108.56 } ::sumAvg: 4.48 atom: 22 12L-HB2 B 1.598 ambi=2 { CB:43.73 } atom: 71 17K-H N 7.598 ambi=1 { N:118.491 } :: atom: 23 12L-HB3 B 1.375 ambi=2 { CB:43.73 } atom: 71 17K-H N 7.598 ambi=1 { N:118.491 } ::sumAvg: 3.76 atom: 22 12L-HB2 B 1.598 ambi=2 { CB:43.73 } atom: 87 18N-H N 8.783 ambi=1 { N:121.134 } :: atom: 23 12L-HB3 B 1.375 ambi=2 { CB:43.73 } atom: 87 18N-H N 8.783 ambi=1 { N:121.134 } ::sumAvg: 3.32 atom: 22 12L-HB2 B 1.598 ambi=2 { CB:43.73 } atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } :: atom: 23 12L-HB3 B 1.375 ambi=2 { CB:43.73 } atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } ::sumAvg: 3.54 atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } atom: 22 12L-HB2 B 1.598 ambi=2 { CB:43.73 } :: atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } atom: 23 12L-HB3 B 1.375 ambi=2 { CB:43.73 } ::sumAvg: 3.54 atom: 22 12L-HB2 B 1.598 ambi=2 { CB:43.73 } atom: 102 19P-HD2 D 4.023 ambi=2 { CD:50.752 } :: atom: 22 12L-HB2 B 1.598 ambi=2 { CB:43.73 } atom: 103 19P-HD3 D 3.791 ambi=2 { CD:50.752 } :: atom: 23 12L-HB3 B 1.375 ambi=2 { CB:43.73 } atom: 102 19P-HD2 D 4.023 ambi=2 { CD:50.752 } :: atom: 23 12L-HB3 B 1.375 ambi=2 { CB:43.73 } atom: 103 19P-HD3 D 3.791 ambi=2 { CD:50.752 } ::sumAvg: 3.515 atom: 24 12L-HG G 1.463 ambi=1 { CG:26.471 } atom: 33 13T-H N 8.438 ambi=1 { N:110.786 } ::sumAvg: 4.67 atom: 67 16G-HA2 A 3.669 ambi=2 { CA:45.702 } atom: 24 12L-HG G 1.463 ambi=1 { CG:26.471 } :: atom: 68 16G-HA3 A 3.972 ambi=2 { CA:45.702 } atom: 24 12L-HG G 1.463 ambi=1 { CG:26.471 } ::sumAvg: 4.835 atom: 24 12L-HG G 1.463 ambi=1 { CG:26.471 } atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } ::sumAvg: 4.98 atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } atom: 24 12L-HG G 1.463 ambi=1 { CG:26.471 } ::sumAvg: 4.98 atom: 26 12L-HD2 D2 0.662 ambi=2 { CD2:22.699 } atom: 36 13T-HG2 G2 1.102 ambi=1 { CG2:21.44 } ::sumAvg: 4.56 atom: 36 13T-HG2 G2 1.102 ambi=1 { CG2:21.44 } atom: 26 12L-HD2 D2 0.662 ambi=2 { CD2:22.699 } ::sumAvg: 4.56 atom: 25 12L-HD1 D1 0.745 ambi=2 { CD1:24.91 } atom: 66 16G-H N 8.289 ambi=1 { N:108.56 } :: atom: 26 12L-HD2 D2 0.662 ambi=2 { CD2:22.699 } atom: 66 16G-H N 8.289 ambi=1 { N:108.56 } ::sumAvg: 3.535 atom: 25 12L-HD1 D1 0.745 ambi=2 { CD1:24.91 } atom: 72 17K-HA A 4.452 ambi=1 { CA:54.364 } :: atom: 26 12L-HD2 D2 0.662 ambi=2 { CD2:22.699 } atom: 72 17K-HA A 4.452 ambi=1 { CA:54.364 } ::sumAvg: 4.175 atom: 72 17K-HA A 4.452 ambi=1 { CA:54.364 } atom: 25 12L-HD1 D1 0.745 ambi=2 { CD1:24.91 } :: atom: 72 17K-HA A 4.452 ambi=1 { CA:54.364 } atom: 26 12L-HD2 D2 0.662 ambi=2 { CD2:22.699 } ::sumAvg: 4.175 atom: 25 12L-HD1 D1 0.745 ambi=2 { CD1:24.91 } atom: 74 17K-QB B 1.7205 ambi=2 { CB:34.028 } :: atom: 26 12L-HD2 D2 0.662 ambi=2 { CD2:22.699 } atom: 74 17K-QB B 1.7205 ambi=2 { CB:34.028 } ::sumAvg: 4.935 atom: 74 17K-QB B 1.7205 ambi=2 { CB:34.028 } atom: 25 12L-HD1 D1 0.745 ambi=2 { CD1:24.91 } :: atom: 74 17K-QB B 1.7205 ambi=2 { CB:34.028 } atom: 26 12L-HD2 D2 0.662 ambi=2 { CD2:22.699 } ::sumAvg: 4.935 atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } atom: 25 12L-HD1 D1 0.745 ambi=2 { CD1:24.91 } :: atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } atom: 26 12L-HD2 D2 0.662 ambi=2 { CD2:22.699 } ::sumAvg: 2.455 atom: 25 12L-HD1 D1 0.745 ambi=2 { CD1:24.91 } atom: 91 18N-HD21 D2 7.921 ambi=2 { ND2:114.693 } :: atom: 25 12L-HD1 D1 0.745 ambi=2 { CD1:24.91 } atom: 92 18N-HD22 D2 7.121 ambi=2 { ND2:114.693 } :: atom: 26 12L-HD2 D2 0.662 ambi=2 { CD2:22.699 } atom: 91 18N-HD21 D2 7.921 ambi=2 { ND2:114.693 } :: atom: 26 12L-HD2 D2 0.662 ambi=2 { CD2:22.699 } atom: 92 18N-HD22 D2 7.121 ambi=2 { ND2:114.693 } ::sumAvg: 3.95 atom: 25 12L-HD1 D1 0.745 ambi=2 { CD1:24.91 } atom: 100 19P-HG2 G 1.96 ambi=2 { CG:27.996 } :: atom: 25 12L-HD1 D1 0.745 ambi=2 { CD1:24.91 } atom: 101 19P-HG3 G 1.867 ambi=2 { CG:27.996 } :: atom: 26 12L-HD2 D2 0.662 ambi=2 { CD2:22.699 } atom: 100 19P-HG2 G 1.96 ambi=2 { CG:27.996 } :: atom: 26 12L-HD2 D2 0.662 ambi=2 { CD2:22.699 } atom: 101 19P-HG3 G 1.867 ambi=2 { CG:27.996 } ::sumAvg: 4.595 atom: 25 12L-HD1 D1 0.745 ambi=2 { CD1:24.91 } atom: 124 21M-HE E 2.056 ambi=1 { CE:17.058 } :: atom: 26 12L-HD2 D2 0.662 ambi=2 { CD2:22.699 } atom: 124 21M-HE E 2.056 ambi=1 { CE:17.058 } ::sumAvg: 4.37 atom: 67 16G-HA2 A 3.669 ambi=2 { CA:45.702 } atom: 33 13T-H N 8.438 ambi=1 { N:110.786 } :: atom: 68 16G-HA3 A 3.972 ambi=2 { CA:45.702 } atom: 33 13T-H N 8.438 ambi=1 { N:110.786 } ::sumAvg: 4.955 atom: 74 17K-QB B 1.7205 ambi=2 { CB:34.028 } atom: 33 13T-H N 8.438 ambi=1 { N:110.786 } ::sumAvg: 4.92 atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } atom: 33 13T-H N 8.438 ambi=1 { N:110.786 } ::sumAvg: 3.805 atom: 98 19P-QB B 1.982 ambi=2 { CB:32.458 } atom: 33 13T-H N 8.438 ambi=1 { N:110.786 } ::sumAvg: 4.37 atom: 100 19P-HG2 G 1.96 ambi=2 { CG:27.996 } atom: 33 13T-H N 8.438 ambi=1 { N:110.786 } :: atom: 101 19P-HG3 G 1.867 ambi=2 { CG:27.996 } atom: 33 13T-H N 8.438 ambi=1 { N:110.786 } ::sumAvg: 4.22 atom: 102 19P-HD2 D 4.023 ambi=2 { CD:50.752 } atom: 33 13T-H N 8.438 ambi=1 { N:110.786 } :: atom: 103 19P-HD3 D 3.791 ambi=2 { CD:50.752 } atom: 33 13T-H N 8.438 ambi=1 { N:110.786 } ::sumAvg: 2.485 atom: 662 73L-HD1 D1 0.775 ambi=2 { CD1:24.276 } atom: 33 13T-H N 8.438 ambi=1 { N:110.786 } :: atom: 663 73L-HD2 D2 0.839 ambi=2 { CD2:24.715 } atom: 33 13T-H N 8.438 ambi=1 { N:110.786 } ::sumAvg: 4.395 atom: 43 14K-QB B 1.646 ambi=2 { CB:31.92 } atom: 34 13T-HA A 4.334 ambi=1 { CA:60.928 } ::sumAvg: 4.66 atom: 34 13T-HA A 4.334 ambi=1 { CA:60.928 } atom: 98 19P-QB B 1.982 ambi=2 { CB:32.458 } ::sumAvg: 4.385 atom: 98 19P-QB B 1.982 ambi=2 { CB:32.458 } atom: 34 13T-HA A 4.334 ambi=1 { CA:60.928 } ::sumAvg: 4.385 atom: 34 13T-HA A 4.334 ambi=1 { CA:60.928 } atom: 100 19P-HG2 G 1.96 ambi=2 { CG:27.996 } :: atom: 34 13T-HA A 4.334 ambi=1 { CA:60.928 } atom: 101 19P-HG3 G 1.867 ambi=2 { CG:27.996 } ::sumAvg: 4.875 atom: 100 19P-HG2 G 1.96 ambi=2 { CG:27.996 } atom: 34 13T-HA A 4.334 ambi=1 { CA:60.928 } :: atom: 101 19P-HG3 G 1.867 ambi=2 { CG:27.996 } atom: 34 13T-HA A 4.334 ambi=1 { CA:60.928 } ::sumAvg: 4.875 atom: 34 13T-HA A 4.334 ambi=1 { CA:60.928 } atom: 103 19P-HD3 D 3.791 ambi=2 { CD:50.752 } ::sumAvg: 4.16 atom: 35 13T-HB B 4.481 ambi=1 { CB:70.504 } atom: 43 14K-QB B 1.646 ambi=2 { CB:31.92 } ::sumAvg: 4.57 atom: 43 14K-QB B 1.646 ambi=2 { CB:31.92 } atom: 35 13T-HB B 4.481 ambi=1 { CB:70.504 } ::sumAvg: 4.57 atom: 35 13T-HB B 4.481 ambi=1 { CB:70.504 } atom: 48 14K-QD D 1.5825 ambi=2 { CD:28.78 } ::sumAvg: 4.755 atom: 48 14K-QD D 1.5825 ambi=2 { CD:28.78 } atom: 35 13T-HB B 4.481 ambi=1 { CB:70.504 } ::sumAvg: 4.755 atom: 35 13T-HB B 4.481 ambi=1 { CB:70.504 } atom: 97 19P-HA A 3.987 ambi=1 { CA:64.88 } ::sumAvg: 4.455 atom: 97 19P-HA A 3.987 ambi=1 { CA:64.88 } atom: 35 13T-HB B 4.481 ambi=1 { CB:70.504 } ::sumAvg: 4.455 atom: 35 13T-HB B 4.481 ambi=1 { CB:70.504 } atom: 98 19P-QB B 1.982 ambi=2 { CB:32.458 } ::sumAvg: 3.695 atom: 98 19P-QB B 1.982 ambi=2 { CB:32.458 } atom: 35 13T-HB B 4.481 ambi=1 { CB:70.504 } ::sumAvg: 3.695 atom: 35 13T-HB B 4.481 ambi=1 { CB:70.504 } atom: 100 19P-HG2 G 1.96 ambi=2 { CG:27.996 } :: atom: 35 13T-HB B 4.481 ambi=1 { CB:70.504 } atom: 101 19P-HG3 G 1.867 ambi=2 { CG:27.996 } ::sumAvg: 4.635 atom: 100 19P-HG2 G 1.96 ambi=2 { CG:27.996 } atom: 35 13T-HB B 4.481 ambi=1 { CB:70.504 } :: atom: 101 19P-HG3 G 1.867 ambi=2 { CG:27.996 } atom: 35 13T-HB B 4.481 ambi=1 { CB:70.504 } ::sumAvg: 4.635 atom: 35 13T-HB B 4.481 ambi=1 { CB:70.504 } atom: 102 19P-HD2 D 4.023 ambi=2 { CD:50.752 } :: atom: 35 13T-HB B 4.481 ambi=1 { CB:70.504 } atom: 103 19P-HD3 D 3.791 ambi=2 { CD:50.752 } ::sumAvg: 3.85 atom: 102 19P-HD2 D 4.023 ambi=2 { CD:50.752 } atom: 35 13T-HB B 4.481 ambi=1 { CB:70.504 } :: atom: 103 19P-HD3 D 3.791 ambi=2 { CD:50.752 } atom: 35 13T-HB B 4.481 ambi=1 { CB:70.504 } ::sumAvg: 3.85 atom: 662 73L-HD1 D1 0.775 ambi=2 { CD1:24.276 } atom: 35 13T-HB B 4.481 ambi=1 { CB:70.504 } :: atom: 663 73L-HD2 D2 0.839 ambi=2 { CD2:24.715 } atom: 35 13T-HB B 4.481 ambi=1 { CB:70.504 } ::sumAvg: 3.33 atom: 687 76L-HD1 D1 0.88 ambi=2 { CD1:26 } atom: 35 13T-HB B 4.481 ambi=1 { CB:70.504 } :: atom: 688 76L-HD2 D2 0.715 ambi=2 { CD2:23.374 } atom: 35 13T-HB B 4.481 ambi=1 { CB:70.504 } ::sumAvg: 4.57 atom: 36 13T-HG2 G2 1.102 ambi=1 { CG2:21.44 } atom: 42 14K-HA A 4.1 ambi=1 { CA:57.394 } ::sumAvg: 4.75 atom: 36 13T-HG2 G2 1.102 ambi=1 { CG2:21.44 } atom: 43 14K-QB B 1.646 ambi=2 { CB:31.92 } ::sumAvg: 3.765 atom: 36 13T-HG2 G2 1.102 ambi=1 { CG2:21.44 } atom: 57 15H-H N 7.933 ambi=1 { N:116.562 } ::sumAvg: 4.555 atom: 36 13T-HG2 G2 1.102 ambi=1 { CG2:21.44 } atom: 71 17K-H N 7.598 ambi=1 { N:118.491 } ::sumAvg: 4.475 atom: 36 13T-HG2 G2 1.102 ambi=1 { CG2:21.44 } atom: 87 18N-H N 8.783 ambi=1 { N:121.134 } ::sumAvg: 3.95 atom: 36 13T-HG2 G2 1.102 ambi=1 { CG2:21.44 } atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } ::sumAvg: 3.935 atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } atom: 36 13T-HG2 G2 1.102 ambi=1 { CG2:21.44 } ::sumAvg: 3.935 atom: 89 18N-QB B 2.8595 ambi=2 { CB:38.544 } atom: 36 13T-HG2 G2 1.102 ambi=1 { CG2:21.44 } ::sumAvg: 4.95 atom: 36 13T-HG2 G2 1.102 ambi=1 { CG2:21.44 } atom: 108 20V-H N 7.594 ambi=1 { N:116.615 } ::sumAvg: 4.835 atom: 36 13T-HG2 G2 1.102 ambi=1 { CG2:21.44 } atom: 658 73L-HA A 3.912 ambi=1 { CA:57.607 } ::sumAvg: 4.9 atom: 658 73L-HA A 3.912 ambi=1 { CA:57.607 } atom: 36 13T-HG2 G2 1.102 ambi=1 { CG2:21.44 } ::sumAvg: 4.9 atom: 36 13T-HG2 G2 1.102 ambi=1 { CG2:21.44 } atom: 661 73L-HG G 1.618 ambi=1 { CG:26.718 } ::sumAvg: 4.21 atom: 661 73L-HG G 1.618 ambi=1 { CG:26.718 } atom: 36 13T-HG2 G2 1.102 ambi=1 { CG2:21.44 } ::sumAvg: 4.21 atom: 48 14K-QD D 1.5825 ambi=2 { CD:28.78 } atom: 41 14K-H N 8.882 ambi=1 { N:121.792 } ::sumAvg: 3.56 atom: 662 73L-HD1 D1 0.775 ambi=2 { CD1:24.276 } atom: 41 14K-H N 8.882 ambi=1 { N:121.792 } :: atom: 663 73L-HD2 D2 0.839 ambi=2 { CD2:24.715 } atom: 41 14K-H N 8.882 ambi=1 { N:121.792 } ::sumAvg: 4.86 atom: 42 14K-HA A 4.1 ambi=1 { CA:57.394 } atom: 58 15H-HA A 4.722 ambi=1 { CA:55.054 } ::sumAvg: 4.425 atom: 58 15H-HA A 4.722 ambi=1 { CA:55.054 } atom: 42 14K-HA A 4.1 ambi=1 { CA:57.394 } ::sumAvg: 4.425 atom: 43 14K-QB B 1.646 ambi=2 { CB:31.92 } atom: 58 15H-HA A 4.722 ambi=1 { CA:55.054 } ::sumAvg: 4.76 atom: 58 15H-HA A 4.722 ambi=1 { CA:55.054 } atom: 43 14K-QB B 1.646 ambi=2 { CB:31.92 } ::sumAvg: 4.76 atom: 43 14K-QB B 1.646 ambi=2 { CB:31.92 } atom: 59 15H-HB2 B 3.326 ambi=2 { CB:29.33 } :: atom: 43 14K-QB B 1.646 ambi=2 { CB:31.92 } atom: 60 15H-HB3 B 2.964 ambi=2 { CB:29.33 } ::sumAvg: 4.22 atom: 59 15H-HB2 B 3.326 ambi=2 { CB:29.33 } atom: 43 14K-QB B 1.646 ambi=2 { CB:31.92 } :: atom: 60 15H-HB3 B 2.964 ambi=2 { CB:29.33 } atom: 43 14K-QB B 1.646 ambi=2 { CB:31.92 } ::sumAvg: 4.22 atom: 43 14K-QB B 1.646 ambi=2 { CB:31.92 } atom: 66 16G-H N 8.289 ambi=1 { N:108.56 } ::sumAvg: 4.63 atom: 43 14K-QB B 1.646 ambi=2 { CB:31.92 } atom: 71 17K-H N 7.598 ambi=1 { N:118.491 } ::sumAvg: 4.645 atom: 45 14K-HG2 G 1.201 ambi=2 { CG:23.952 } atom: 57 15H-H N 7.933 ambi=1 { N:116.562 } :: atom: 46 14K-HG3 G 1.098 ambi=2 { CG:23.952 } atom: 57 15H-H N 7.933 ambi=1 { N:116.562 } ::sumAvg: 3.635 atom: 45 14K-HG2 G 1.201 ambi=2 { CG:23.952 } atom: 61 15H-HD2 D2 7.164 ambi=1 { CD2:119.628 } :: atom: 46 14K-HG3 G 1.098 ambi=2 { CG:23.952 } atom: 61 15H-HD2 D2 7.164 ambi=1 { CD2:119.628 } ::sumAvg: 4.49 atom: 48 14K-QD D 1.5825 ambi=2 { CD:28.78 } atom: 57 15H-H N 7.933 ambi=1 { N:116.562 } ::sumAvg: 3.705 atom: 48 14K-QD D 1.5825 ambi=2 { CD:28.78 } atom: 61 15H-HD2 D2 7.164 ambi=1 { CD2:119.628 } ::sumAvg: 4.705 atom: 50 14K-QE E 2.9115 ambi=2 { CE:41.78 } atom: 57 15H-H N 7.933 ambi=1 { N:116.562 } ::sumAvg: 4.965 atom: 61 15H-HD2 D2 7.164 ambi=1 { CD2:119.628 } atom: 57 15H-H N 7.933 ambi=1 { N:116.562 } ::sumAvg: 3.65 atom: 75 17K-HG2 G 1.238 ambi=2 { CG:24.91 } atom: 57 15H-H N 7.933 ambi=1 { N:116.562 } :: atom: 76 17K-HG3 G 1.27 ambi=2 { CG:24.91 } atom: 57 15H-H N 7.933 ambi=1 { N:116.562 } ::sumAvg: 4.735 atom: 58 15H-HA A 4.722 ambi=1 { CA:55.054 } atom: 67 16G-HA2 A 3.669 ambi=2 { CA:45.702 } :: atom: 58 15H-HA A 4.722 ambi=1 { CA:55.054 } atom: 68 16G-HA3 A 3.972 ambi=2 { CA:45.702 } ::sumAvg: 4.465 atom: 67 16G-HA2 A 3.669 ambi=2 { CA:45.702 } atom: 58 15H-HA A 4.722 ambi=1 { CA:55.054 } :: atom: 68 16G-HA3 A 3.972 ambi=2 { CA:45.702 } atom: 58 15H-HA A 4.722 ambi=1 { CA:55.054 } ::sumAvg: 4.465 atom: 58 15H-HA A 4.722 ambi=1 { CA:55.054 } atom: 71 17K-H N 7.598 ambi=1 { N:118.491 } ::sumAvg: 4.67 atom: 59 15H-HB2 B 3.326 ambi=2 { CB:29.33 } atom: 68 16G-HA3 A 3.972 ambi=2 { CA:45.702 } :: atom: 60 15H-HB3 B 2.964 ambi=2 { CB:29.33 } atom: 67 16G-HA2 A 3.669 ambi=2 { CA:45.702 } :: atom: 60 15H-HB3 B 2.964 ambi=2 { CB:29.33 } atom: 68 16G-HA3 A 3.972 ambi=2 { CA:45.702 } ::sumAvg: 4.74 atom: 68 16G-HA3 A 3.972 ambi=2 { CA:45.702 } atom: 59 15H-HB2 B 3.326 ambi=2 { CB:29.33 } :: atom: 67 16G-HA2 A 3.669 ambi=2 { CA:45.702 } atom: 60 15H-HB3 B 2.964 ambi=2 { CB:29.33 } :: atom: 68 16G-HA3 A 3.972 ambi=2 { CA:45.702 } atom: 60 15H-HB3 B 2.964 ambi=2 { CB:29.33 } ::sumAvg: 4.74 atom: 59 15H-HB2 B 3.326 ambi=2 { CB:29.33 } atom: 74 17K-QB B 1.7205 ambi=2 { CB:34.028 } :: atom: 60 15H-HB3 B 2.964 ambi=2 { CB:29.33 } atom: 74 17K-QB B 1.7205 ambi=2 { CB:34.028 } ::sumAvg: 4.635 atom: 59 15H-HB2 B 3.326 ambi=2 { CB:29.33 } atom: 79 17K-QE E 2.851 ambi=2 { CE:41.78 } ::sumAvg: 4.435 atom: 79 17K-QE E 2.851 ambi=2 { CE:41.78 } atom: 59 15H-HB2 B 3.326 ambi=2 { CB:29.33 } ::sumAvg: 4.435 atom: 72 17K-HA A 4.452 ambi=1 { CA:54.364 } atom: 66 16G-H N 8.289 ambi=1 { N:108.56 } ::sumAvg: 4.85 atom: 74 17K-QB B 1.7205 ambi=2 { CB:34.028 } atom: 66 16G-H N 8.289 ambi=1 { N:108.56 } ::sumAvg: 4.675 atom: 77 17K-QD D 1.509 ambi=2 { CD:28.78 } atom: 66 16G-H N 8.289 ambi=1 { N:108.56 } ::sumAvg: 4.955 atom: 67 16G-HA2 A 3.669 ambi=2 { CA:45.702 } atom: 72 17K-HA A 4.452 ambi=1 { CA:54.364 } :: atom: 68 16G-HA3 A 3.972 ambi=2 { CA:45.702 } atom: 72 17K-HA A 4.452 ambi=1 { CA:54.364 } ::sumAvg: 4.465 atom: 72 17K-HA A 4.452 ambi=1 { CA:54.364 } atom: 67 16G-HA2 A 3.669 ambi=2 { CA:45.702 } :: atom: 72 17K-HA A 4.452 ambi=1 { CA:54.364 } atom: 68 16G-HA3 A 3.972 ambi=2 { CA:45.702 } ::sumAvg: 4.465 atom: 75 17K-HG2 G 1.238 ambi=2 { CG:24.91 } atom: 67 16G-HA2 A 3.669 ambi=2 { CA:45.702 } :: atom: 76 17K-HG3 G 1.27 ambi=2 { CG:24.91 } atom: 67 16G-HA2 A 3.669 ambi=2 { CA:45.702 } :: atom: 75 17K-HG2 G 1.238 ambi=2 { CG:24.91 } atom: 68 16G-HA3 A 3.972 ambi=2 { CA:45.702 } :: atom: 76 17K-HG3 G 1.27 ambi=2 { CG:24.91 } atom: 68 16G-HA3 A 3.972 ambi=2 { CA:45.702 } ::sumAvg: 4.535 atom: 67 16G-HA2 A 3.669 ambi=2 { CA:45.702 } atom: 87 18N-H N 8.783 ambi=1 { N:121.134 } :: atom: 68 16G-HA3 A 3.972 ambi=2 { CA:45.702 } atom: 87 18N-H N 8.783 ambi=1 { N:121.134 } ::sumAvg: 4.575 atom: 79 17K-QE E 2.851 ambi=2 { CE:41.78 } atom: 71 17K-H N 7.598 ambi=1 { N:118.491 } ::sumAvg: 4.91 atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } atom: 71 17K-H N 7.598 ambi=1 { N:118.491 } ::sumAvg: 4.735 atom: 124 21M-HE E 2.056 ambi=1 { CE:17.058 } atom: 72 17K-HA A 4.452 ambi=1 { CA:54.364 } ::sumAvg: 3.75 atom: 74 17K-QB B 1.7205 ambi=2 { CB:34.028 } atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } ::sumAvg: 4.79 atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } atom: 74 17K-QB B 1.7205 ambi=2 { CB:34.028 } ::sumAvg: 4.79 atom: 89 18N-QB B 2.8595 ambi=2 { CB:38.544 } atom: 74 17K-QB B 1.7205 ambi=2 { CB:34.028 } ::sumAvg: 4.185 atom: 74 17K-QB B 1.7205 ambi=2 { CB:34.028 } atom: 121 21M-HB3 B 2.149 ambi=2 { CB:32.01 } ::sumAvg: 4.445 atom: 121 21M-HB3 B 2.149 ambi=2 { CB:32.01 } atom: 74 17K-QB B 1.7205 ambi=2 { CB:34.028 } ::sumAvg: 4.445 atom: 74 17K-QB B 1.7205 ambi=2 { CB:34.028 } atom: 131 22E-HA A 3.889 ambi=1 { CA:59.271 } ::sumAvg: 4.49 atom: 102 19P-HD2 D 4.023 ambi=2 { CD:50.752 } atom: 87 18N-H N 8.783 ambi=1 { N:121.134 } :: atom: 103 19P-HD3 D 3.791 ambi=2 { CD:50.752 } atom: 87 18N-H N 8.783 ambi=1 { N:121.134 } ::sumAvg: 4.13 atom: 120 21M-HB2 B 2.058 ambi=2 { CB:32.01 } atom: 87 18N-H N 8.783 ambi=1 { N:121.134 } :: atom: 121 21M-HB3 B 2.149 ambi=2 { CB:32.01 } atom: 87 18N-H N 8.783 ambi=1 { N:121.134 } ::sumAvg: 4.785 atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } atom: 91 18N-HD21 D2 7.921 ambi=2 { ND2:114.693 } :: atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } atom: 92 18N-HD22 D2 7.121 ambi=2 { ND2:114.693 } ::sumAvg: 3.905 atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } atom: 97 19P-HA A 3.987 ambi=1 { CA:64.88 } ::sumAvg: 4.51 atom: 97 19P-HA A 3.987 ambi=1 { CA:64.88 } atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } ::sumAvg: 4.51 atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } atom: 98 19P-QB B 1.982 ambi=2 { CB:32.458 } ::sumAvg: 4.68 atom: 98 19P-QB B 1.982 ambi=2 { CB:32.458 } atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } ::sumAvg: 4.68 atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } atom: 100 19P-HG2 G 1.96 ambi=2 { CG:27.996 } :: atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } atom: 101 19P-HG3 G 1.867 ambi=2 { CG:27.996 } ::sumAvg: 4.14 atom: 100 19P-HG2 G 1.96 ambi=2 { CG:27.996 } atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } :: atom: 101 19P-HG3 G 1.867 ambi=2 { CG:27.996 } atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } ::sumAvg: 4.14 atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } atom: 102 19P-HD2 D 4.023 ambi=2 { CD:50.752 } :: atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } atom: 103 19P-HD3 D 3.791 ambi=2 { CD:50.752 } ::sumAvg: 1.955 atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } atom: 108 20V-H N 7.594 ambi=1 { N:116.615 } ::sumAvg: 3.855 atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } atom: 118 21M-H N 7.12 ambi=1 { N:119.057 } ::sumAvg: 4.74 atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } atom: 124 21M-HE E 2.056 ambi=1 { CE:17.058 } ::sumAvg: 4.415 atom: 124 21M-HE E 2.056 ambi=1 { CE:17.058 } atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } ::sumAvg: 4.415 atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } ::sumAvg: 4.82 atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } ::sumAvg: 4.82 atom: 97 19P-HA A 3.987 ambi=1 { CA:64.88 } atom: 89 18N-QB B 2.8595 ambi=2 { CB:38.544 } ::sumAvg: 4.835 atom: 89 18N-QB B 2.8595 ambi=2 { CB:38.544 } atom: 110 20V-HB B 1.938 ambi=1 { CB:31.442 } ::sumAvg: 3.96 atom: 89 18N-QB B 2.8595 ambi=2 { CB:38.544 } atom: 130 22E-H N 8.232 ambi=1 { N:120.421 } ::sumAvg: 3.685 atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } atom: 91 18N-HD21 D2 7.921 ambi=2 { ND2:114.693 } :: atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } atom: 92 18N-HD22 D2 7.121 ambi=2 { ND2:114.693 } ::sumAvg: 4.615 atom: 97 19P-HA A 3.987 ambi=1 { CA:64.88 } atom: 109 20V-HA A 3.385 ambi=1 { CA:65.785 } ::sumAvg: 4.785 atom: 97 19P-HA A 3.987 ambi=1 { CA:64.88 } atom: 134 22E-HG2 G 2.067 ambi=2 { CG:36.01 } :: atom: 97 19P-HA A 3.987 ambi=1 { CA:64.88 } atom: 135 22E-HG3 G 2.118 ambi=2 { CG:36.01 } ::sumAvg: 4.23 atom: 142 23L-HB2 B 2.016 ambi=2 { CB:40.481 } atom: 97 19P-HA A 3.987 ambi=1 { CA:64.88 } :: atom: 143 23L-HB3 B 1.259 ambi=2 { CB:40.481 } atom: 97 19P-HA A 3.987 ambi=1 { CA:64.88 } ::sumAvg: 4.66 atom: 97 19P-HA A 3.987 ambi=1 { CA:64.88 } atom: 661 73L-HG G 1.618 ambi=1 { CG:26.718 } ::sumAvg: 4.75 atom: 661 73L-HG G 1.618 ambi=1 { CG:26.718 } atom: 97 19P-HA A 3.987 ambi=1 { CA:64.88 } ::sumAvg: 4.75 atom: 662 73L-HD1 D1 0.775 ambi=2 { CD1:24.276 } atom: 97 19P-HA A 3.987 ambi=1 { CA:64.88 } :: atom: 663 73L-HD2 D2 0.839 ambi=2 { CD2:24.715 } atom: 97 19P-HA A 3.987 ambi=1 { CA:64.88 } ::sumAvg: 3.86 atom: 98 19P-QB B 1.982 ambi=2 { CB:32.458 } atom: 143 23L-HB3 B 1.259 ambi=2 { CB:40.481 } ::sumAvg: 4.425 atom: 98 19P-QB B 1.982 ambi=2 { CB:32.458 } atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } ::sumAvg: 3.815 atom: 100 19P-HG2 G 1.96 ambi=2 { CG:27.996 } atom: 109 20V-HA A 3.385 ambi=1 { CA:65.785 } :: atom: 101 19P-HG3 G 1.867 ambi=2 { CG:27.996 } atom: 109 20V-HA A 3.385 ambi=1 { CA:65.785 } ::sumAvg: 4.52 atom: 100 19P-HG2 G 1.96 ambi=2 { CG:27.996 } atom: 624 69A-H N 7.521 ambi=1 { N:119.816 } :: atom: 101 19P-HG3 G 1.867 ambi=2 { CG:27.996 } atom: 624 69A-H N 7.521 ambi=1 { N:119.816 } ::sumAvg: 4.925 atom: 110 20V-HB B 1.938 ambi=1 { CB:31.442 } atom: 102 19P-HD2 D 4.023 ambi=2 { CD:50.752 } :: atom: 110 20V-HB B 1.938 ambi=1 { CB:31.442 } atom: 103 19P-HD3 D 3.791 ambi=2 { CD:50.752 } ::sumAvg: 4.88 atom: 111 20V-HG1 G1 0.745 ambi=2 { CG1:20.537 } atom: 102 19P-HD2 D 4.023 ambi=2 { CD:50.752 } :: atom: 112 20V-HG2 G2 0.729 ambi=2 { CG2:22.467 } atom: 102 19P-HD2 D 4.023 ambi=2 { CD:50.752 } :: atom: 111 20V-HG1 G1 0.745 ambi=2 { CG1:20.537 } atom: 103 19P-HD3 D 3.791 ambi=2 { CD:50.752 } :: atom: 112 20V-HG2 G2 0.729 ambi=2 { CG2:22.467 } atom: 103 19P-HD3 D 3.791 ambi=2 { CD:50.752 } ::sumAvg: 3.98 atom: 662 73L-HD1 D1 0.775 ambi=2 { CD1:24.276 } atom: 102 19P-HD2 D 4.023 ambi=2 { CD:50.752 } :: atom: 663 73L-HD2 D2 0.839 ambi=2 { CD2:24.715 } atom: 102 19P-HD2 D 4.023 ambi=2 { CD:50.752 } :: atom: 662 73L-HD1 D1 0.775 ambi=2 { CD1:24.276 } atom: 103 19P-HD3 D 3.791 ambi=2 { CD:50.752 } :: atom: 663 73L-HD2 D2 0.839 ambi=2 { CD2:24.715 } atom: 103 19P-HD3 D 3.791 ambi=2 { CD:50.752 } ::sumAvg: 3.725 atom: 132 22E-HB2 B 1.842 ambi=2 { CB:29.303 } atom: 108 20V-H N 7.594 ambi=1 { N:116.615 } :: atom: 133 22E-HB3 B 1.943 ambi=2 { CB:29.303 } atom: 108 20V-H N 7.594 ambi=1 { N:116.615 } ::sumAvg: 4.905 atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } atom: 108 20V-H N 7.594 ambi=1 { N:116.615 } ::sumAvg: 4.265 atom: 687 76L-HD1 D1 0.88 ambi=2 { CD1:26 } atom: 108 20V-H N 7.594 ambi=1 { N:116.615 } :: atom: 688 76L-HD2 D2 0.715 ambi=2 { CD2:23.374 } atom: 108 20V-H N 7.594 ambi=1 { N:116.615 } ::sumAvg: 4.66 atom: 109 20V-HA A 3.385 ambi=1 { CA:65.785 } atom: 119 21M-HA A 4.144 ambi=1 { CA:57.745 } ::sumAvg: 4.745 atom: 119 21M-HA A 4.144 ambi=1 { CA:57.745 } atom: 109 20V-HA A 3.385 ambi=1 { CA:65.785 } ::sumAvg: 4.745 atom: 145 23L-HD1 D1 0.787 ambi=2 { CD1:22.272 } atom: 109 20V-HA A 3.385 ambi=1 { CA:65.785 } :: atom: 146 23L-HD2 D2 0.912 ambi=2 { CD2:26.04 } atom: 109 20V-HA A 3.385 ambi=1 { CA:65.785 } ::sumAvg: 3.585 atom: 257 32Y-QE E 6.663 ambi=3 { CE2:117.455 } atom: 109 20V-HA A 3.385 ambi=1 { CA:65.785 } ::sumAvg: 3.77 atom: 625 69A-HA A 3.868 ambi=1 { CA:55.246 } atom: 109 20V-HA A 3.385 ambi=1 { CA:65.785 } ::sumAvg: 4.535 atom: 687 76L-HD1 D1 0.88 ambi=2 { CD1:26 } atom: 109 20V-HA A 3.385 ambi=1 { CA:65.785 } :: atom: 688 76L-HD2 D2 0.715 ambi=2 { CD2:23.374 } atom: 109 20V-HA A 3.385 ambi=1 { CA:65.785 } ::sumAvg: 4.595 atom: 110 20V-HB B 1.938 ambi=1 { CB:31.442 } atom: 119 21M-HA A 4.144 ambi=1 { CA:57.745 } ::sumAvg: 4.495 atom: 110 20V-HB B 1.938 ambi=1 { CB:31.442 } atom: 122 21M-HG2 G 2.628 ambi=2 { CG:32.07 } :: atom: 110 20V-HB B 1.938 ambi=1 { CB:31.442 } atom: 123 21M-HG3 G 2.457 ambi=2 { CG:32.07 } ::sumAvg: 3.58 atom: 110 20V-HB B 1.938 ambi=1 { CB:31.442 } atom: 611 68K-HB3 B 1.292 ambi=2 { CB:32.096 } ::sumAvg: 4.935 atom: 111 20V-HG1 G1 0.745 ambi=2 { CG1:20.537 } atom: 119 21M-HA A 4.144 ambi=1 { CA:57.745 } :: atom: 112 20V-HG2 G2 0.729 ambi=2 { CG2:22.467 } atom: 119 21M-HA A 4.144 ambi=1 { CA:57.745 } ::sumAvg: 3.31 atom: 111 20V-HG1 G1 0.745 ambi=2 { CG1:20.537 } atom: 120 21M-HB2 B 2.058 ambi=2 { CB:32.01 } :: atom: 111 20V-HG1 G1 0.745 ambi=2 { CG1:20.537 } atom: 121 21M-HB3 B 2.149 ambi=2 { CB:32.01 } :: atom: 112 20V-HG2 G2 0.729 ambi=2 { CG2:22.467 } atom: 120 21M-HB2 B 2.058 ambi=2 { CB:32.01 } :: atom: 112 20V-HG2 G2 0.729 ambi=2 { CG2:22.467 } atom: 121 21M-HB3 B 2.149 ambi=2 { CB:32.01 } ::sumAvg: 4.785 atom: 111 20V-HG1 G1 0.745 ambi=2 { CG1:20.537 } atom: 122 21M-HG2 G 2.628 ambi=2 { CG:32.07 } :: atom: 111 20V-HG1 G1 0.745 ambi=2 { CG1:20.537 } atom: 123 21M-HG3 G 2.457 ambi=2 { CG:32.07 } :: atom: 112 20V-HG2 G2 0.729 ambi=2 { CG2:22.467 } atom: 122 21M-HG2 G 2.628 ambi=2 { CG:32.07 } :: atom: 112 20V-HG2 G2 0.729 ambi=2 { CG2:22.467 } atom: 123 21M-HG3 G 2.457 ambi=2 { CG:32.07 } ::sumAvg: 3.635 atom: 111 20V-HG1 G1 0.745 ambi=2 { CG1:20.537 } atom: 577 65K-HA A 3.736 ambi=1 { CA:59.936 } :: atom: 112 20V-HG2 G2 0.729 ambi=2 { CG2:22.467 } atom: 577 65K-HA A 3.736 ambi=1 { CA:59.936 } ::sumAvg: 4.5 atom: 612 68K-HG2 G 1.367 ambi=2 { CG:25.665 } atom: 111 20V-HG1 G1 0.745 ambi=2 { CG1:20.537 } :: atom: 612 68K-HG2 G 1.367 ambi=2 { CG:25.665 } atom: 112 20V-HG2 G2 0.729 ambi=2 { CG2:22.467 } ::sumAvg: 4.335 atom: 111 20V-HG1 G1 0.745 ambi=2 { CG1:20.537 } atom: 652 72A-HA A 3.961 ambi=1 { CA:54.316 } :: atom: 112 20V-HG2 G2 0.729 ambi=2 { CG2:22.467 } atom: 652 72A-HA A 3.961 ambi=1 { CA:54.316 } ::sumAvg: 4.685 atom: 132 22E-HB2 B 1.842 ambi=2 { CB:29.303 } atom: 118 21M-H N 7.12 ambi=1 { N:119.057 } :: atom: 133 22E-HB3 B 1.943 ambi=2 { CB:29.303 } atom: 118 21M-H N 7.12 ambi=1 { N:119.057 } ::sumAvg: 4.815 atom: 120 21M-HB2 B 2.058 ambi=2 { CB:32.01 } atom: 131 22E-HA A 3.889 ambi=1 { CA:59.271 } :: atom: 121 21M-HB3 B 2.149 ambi=2 { CB:32.01 } atom: 131 22E-HA A 3.889 ambi=1 { CA:59.271 } ::sumAvg: 4.305 atom: 120 21M-HB2 B 2.058 ambi=2 { CB:32.01 } atom: 157 24N-HD21 D2 7.871 ambi=2 { ND2:115.411 } :: atom: 120 21M-HB2 B 2.058 ambi=2 { CB:32.01 } atom: 158 24N-HD22 D2 6.978 ambi=2 { ND2:115.411 } :: atom: 121 21M-HB3 B 2.149 ambi=2 { CB:32.01 } atom: 157 24N-HD21 D2 7.871 ambi=2 { ND2:115.411 } :: atom: 121 21M-HB3 B 2.149 ambi=2 { CB:32.01 } atom: 158 24N-HD22 D2 6.978 ambi=2 { ND2:115.411 } ::sumAvg: 4.715 atom: 142 23L-HB2 B 2.016 ambi=2 { CB:40.481 } atom: 130 22E-H N 8.232 ambi=1 { N:120.421 } :: atom: 143 23L-HB3 B 1.259 ambi=2 { CB:40.481 } atom: 130 22E-H N 8.232 ambi=1 { N:120.421 } ::sumAvg: 4.875 atom: 155 24N-HB2 B 2.922 ambi=2 { CB:38.331 } atom: 130 22E-H N 8.232 ambi=1 { N:120.421 } :: atom: 156 24N-HB3 B 2.857 ambi=2 { CB:38.331 } atom: 130 22E-H N 8.232 ambi=1 { N:120.421 } ::sumAvg: 4.975 atom: 131 22E-HA A 3.889 ambi=1 { CA:59.271 } atom: 167 25E-HG2 G 2.216 ambi=2 { CG:36.171 } :: atom: 131 22E-HA A 3.889 ambi=1 { CA:59.271 } atom: 168 25E-HG3 G 2.445 ambi=2 { CG:36.171 } ::sumAvg: 3.25 atom: 131 22E-HA A 3.889 ambi=1 { CA:59.271 } atom: 173 26K-H N 7.266 ambi=1 { N:116.251 } ::sumAvg: 4.38 atom: 132 22E-HB2 B 1.842 ambi=2 { CB:29.303 } atom: 143 23L-HB3 B 1.259 ambi=2 { CB:40.481 } :: atom: 133 22E-HB3 B 1.943 ambi=2 { CB:29.303 } atom: 143 23L-HB3 B 1.259 ambi=2 { CB:40.481 } ::sumAvg: 4.23 atom: 132 22E-HB2 B 1.842 ambi=2 { CB:29.303 } atom: 153 24N-H N 7.743 ambi=1 { N:116.978 } :: atom: 133 22E-HB3 B 1.943 ambi=2 { CB:29.303 } atom: 153 24N-H N 7.743 ambi=1 { N:116.978 } ::sumAvg: 4.885 atom: 143 23L-HB3 B 1.259 ambi=2 { CB:40.481 } atom: 134 22E-HG2 G 2.067 ambi=2 { CG:36.01 } :: atom: 143 23L-HB3 B 1.259 ambi=2 { CB:40.481 } atom: 135 22E-HG3 G 2.118 ambi=2 { CG:36.01 } ::sumAvg: 4.545 atom: 145 23L-HD1 D1 0.787 ambi=2 { CD1:22.272 } atom: 134 22E-HG2 G 2.067 ambi=2 { CG:36.01 } :: atom: 146 23L-HD2 D2 0.912 ambi=2 { CD2:26.04 } atom: 134 22E-HG2 G 2.067 ambi=2 { CG:36.01 } :: atom: 145 23L-HD1 D1 0.787 ambi=2 { CD1:22.272 } atom: 135 22E-HG3 G 2.118 ambi=2 { CG:36.01 } :: atom: 146 23L-HD2 D2 0.912 ambi=2 { CD2:26.04 } atom: 135 22E-HG3 G 2.118 ambi=2 { CG:36.01 } ::sumAvg: 4.825 atom: 134 22E-HG2 G 2.067 ambi=2 { CG:36.01 } atom: 163 25E-H N 7.363 ambi=1 { N:115.271 } :: atom: 135 22E-HG3 G 2.118 ambi=2 { CG:36.01 } atom: 163 25E-H N 7.363 ambi=1 { N:115.271 } ::sumAvg: 4.93 atom: 134 22E-HG2 G 2.067 ambi=2 { CG:36.01 } atom: 173 26K-H N 7.266 ambi=1 { N:116.251 } :: atom: 135 22E-HG3 G 2.118 ambi=2 { CG:36.01 } atom: 173 26K-H N 7.266 ambi=1 { N:116.251 } ::sumAvg: 4.535 atom: 175 26K-HB2 B 1.308 ambi=2 { CB:33.484 } atom: 134 22E-HG2 G 2.067 ambi=2 { CG:36.01 } :: atom: 176 26K-HB3 B 1.518 ambi=2 { CB:33.484 } atom: 134 22E-HG2 G 2.067 ambi=2 { CG:36.01 } :: atom: 175 26K-HB2 B 1.308 ambi=2 { CB:33.484 } atom: 135 22E-HG3 G 2.118 ambi=2 { CG:36.01 } :: atom: 176 26K-HB3 B 1.518 ambi=2 { CB:33.484 } atom: 135 22E-HG3 G 2.118 ambi=2 { CG:36.01 } ::sumAvg: 4.5 atom: 134 22E-HG2 G 2.067 ambi=2 { CG:36.01 } atom: 181 26K-QE E 2.5165 ambi=2 { CE:42.018 } ::sumAvg: 3.37 atom: 686 76L-HG G 1.807 ambi=1 { CG:26.77 } atom: 140 23L-H N 8.383 ambi=1 { N:119.181 } ::sumAvg: 4.335 atom: 141 23L-HA A 3.931 ambi=1 { CA:57.734 } atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } ::sumAvg: 4.815 atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } atom: 141 23L-HA A 3.931 ambi=1 { CA:57.734 } ::sumAvg: 4.815 atom: 191 27R-HB2 B 1.775 ambi=2 { CB:32.721 } atom: 141 23L-HA A 3.931 ambi=1 { CA:57.734 } :: atom: 192 27R-HB3 B 1.698 ambi=2 { CB:32.721 } atom: 141 23L-HA A 3.931 ambi=1 { CA:57.734 } ::sumAvg: 4.98 atom: 142 23L-HB2 B 2.016 ambi=2 { CB:40.481 } atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } :: atom: 143 23L-HB3 B 1.259 ambi=2 { CB:40.481 } atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } ::sumAvg: 4.46 atom: 142 23L-HB2 B 2.016 ambi=2 { CB:40.481 } atom: 163 25E-H N 7.363 ambi=1 { N:115.271 } :: atom: 143 23L-HB3 B 1.259 ambi=2 { CB:40.481 } atom: 163 25E-H N 7.363 ambi=1 { N:115.271 } ::sumAvg: 4.99 atom: 175 26K-HB2 B 1.308 ambi=2 { CB:33.484 } atom: 142 23L-HB2 B 2.016 ambi=2 { CB:40.481 } :: atom: 176 26K-HB3 B 1.518 ambi=2 { CB:33.484 } atom: 142 23L-HB2 B 2.016 ambi=2 { CB:40.481 } ::sumAvg: 4.73 atom: 142 23L-HB2 B 2.016 ambi=2 { CB:40.481 } atom: 682 76L-H N 8.543 ambi=1 { N:118.141 } :: atom: 143 23L-HB3 B 1.259 ambi=2 { CB:40.481 } atom: 682 76L-H N 8.543 ambi=1 { N:118.141 } ::sumAvg: 4.66 atom: 144 23L-HG G 1.61 ambi=1 { CG:26.77 } atom: 153 24N-H N 7.743 ambi=1 { N:116.978 } ::sumAvg: 3.835 atom: 144 23L-HG G 1.61 ambi=1 { CG:26.77 } atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } ::sumAvg: 3.92 atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } atom: 144 23L-HG G 1.61 ambi=1 { CG:26.77 } ::sumAvg: 3.92 atom: 225 30L-HB3 B 0.897 ambi=2 { CB:41.578 } atom: 144 23L-HG G 1.61 ambi=1 { CG:26.77 } ::sumAvg: 4.69 atom: 144 23L-HG G 1.61 ambi=1 { CG:26.77 } atom: 257 32Y-QE E 6.663 ambi=3 { CE2:117.455 } ::sumAvg: 4.81 atom: 257 32Y-QE E 6.663 ambi=3 { CE2:117.455 } atom: 144 23L-HG G 1.61 ambi=1 { CG:26.77 } ::sumAvg: 4.81 atom: 144 23L-HG G 1.61 ambi=1 { CG:26.77 } atom: 429 50V-HG1 G1 0.696 ambi=2 { CG1:18.309 } :: atom: 144 23L-HG G 1.61 ambi=1 { CG:26.77 } atom: 430 50V-HG2 G2 0.262 ambi=2 { CG2:21.31 } ::sumAvg: 3.96 atom: 429 50V-HG1 G1 0.696 ambi=2 { CG1:18.309 } atom: 144 23L-HG G 1.61 ambi=1 { CG:26.77 } :: atom: 430 50V-HG2 G2 0.262 ambi=2 { CG2:21.31 } atom: 144 23L-HG G 1.61 ambi=1 { CG:26.77 } ::sumAvg: 3.96 atom: 449 52V-HG1 G1 0.943 ambi=2 { CG1:22.154 } atom: 144 23L-HG G 1.61 ambi=1 { CG:26.77 } :: atom: 450 52V-HG2 G2 0.938 ambi=2 { CG2:22.041 } atom: 144 23L-HG G 1.61 ambi=1 { CG:26.77 } ::sumAvg: 3.14 atom: 678 75A-HB B 0.868 ambi=1 { CB:19.181 } atom: 144 23L-HG G 1.61 ambi=1 { CG:26.77 } ::sumAvg: 4.03 atom: 145 23L-HD1 D1 0.787 ambi=2 { CD1:22.272 } atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } :: atom: 146 23L-HD2 D2 0.912 ambi=2 { CD2:26.04 } atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } ::sumAvg: 4.87 atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } atom: 145 23L-HD1 D1 0.787 ambi=2 { CD1:22.272 } :: atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } atom: 146 23L-HD2 D2 0.912 ambi=2 { CD2:26.04 } ::sumAvg: 4.87 atom: 145 23L-HD1 D1 0.787 ambi=2 { CD1:22.272 } atom: 173 26K-H N 7.266 ambi=1 { N:116.251 } :: atom: 146 23L-HD2 D2 0.912 ambi=2 { CD2:26.04 } atom: 173 26K-H N 7.266 ambi=1 { N:116.251 } ::sumAvg: 4.175 atom: 145 23L-HD1 D1 0.787 ambi=2 { CD1:22.272 } atom: 178 26K-HG3 G 1.205 ambi=2 { CG:23.978 } ::sumAvg: 3.98 atom: 145 23L-HD1 D1 0.787 ambi=2 { CD1:22.272 } atom: 189 27R-H N 8.158 ambi=1 { N:120.876 } :: atom: 146 23L-HD2 D2 0.912 ambi=2 { CD2:26.04 } atom: 189 27R-H N 8.158 ambi=1 { N:120.876 } ::sumAvg: 3.895 atom: 145 23L-HD1 D1 0.787 ambi=2 { CD1:22.272 } atom: 224 30L-HB2 B 1.691 ambi=2 { CB:41.578 } :: atom: 146 23L-HD2 D2 0.912 ambi=2 { CD2:26.04 } atom: 224 30L-HB2 B 1.691 ambi=2 { CB:41.578 } ::sumAvg: 4.265 atom: 145 23L-HD1 D1 0.787 ambi=2 { CD1:22.272 } atom: 255 32Y-QD D 6.819 ambi=3 { CD1:132.711 CD2:132.832 } :: atom: 146 23L-HD2 D2 0.912 ambi=2 { CD2:26.04 } atom: 255 32Y-QD D 6.819 ambi=3 { CD1:132.711 CD2:132.832 } ::sumAvg: 4.805 atom: 145 23L-HD1 D1 0.787 ambi=2 { CD1:22.272 } atom: 428 50V-HB B 1.324 ambi=1 { CB:35.927 } :: atom: 146 23L-HD2 D2 0.912 ambi=2 { CD2:26.04 } atom: 428 50V-HB B 1.324 ambi=1 { CB:35.927 } ::sumAvg: 3.99 atom: 145 23L-HD1 D1 0.787 ambi=2 { CD1:22.272 } atom: 447 52V-HA A 4.271 ambi=1 { CA:60.843 } :: atom: 146 23L-HD2 D2 0.912 ambi=2 { CD2:26.04 } atom: 447 52V-HA A 4.271 ambi=1 { CA:60.843 } ::sumAvg: 4.845 atom: 145 23L-HD1 D1 0.787 ambi=2 { CD1:22.272 } atom: 448 52V-HB B 2.161 ambi=1 { CB:33.843 } :: atom: 146 23L-HD2 D2 0.912 ambi=2 { CD2:26.04 } atom: 448 52V-HB B 2.161 ambi=1 { CB:33.843 } ::sumAvg: 3.92 atom: 145 23L-HD1 D1 0.787 ambi=2 { CD1:22.272 } atom: 499 57F-HB2 B 3.165 ambi=2 { CB:41.58 } :: atom: 145 23L-HD1 D1 0.787 ambi=2 { CD1:22.272 } atom: 500 57F-HB3 B 2.804 ambi=2 { CB:41.58 } :: atom: 146 23L-HD2 D2 0.912 ambi=2 { CD2:26.04 } atom: 499 57F-HB2 B 3.165 ambi=2 { CB:41.58 } :: atom: 146 23L-HD2 D2 0.912 ambi=2 { CD2:26.04 } atom: 500 57F-HB3 B 2.804 ambi=2 { CB:41.58 } ::sumAvg: 4.69 atom: 145 23L-HD1 D1 0.787 ambi=2 { CD1:22.272 } atom: 676 75A-H N 7.359 ambi=1 { N:121.317 } :: atom: 146 23L-HD2 D2 0.912 ambi=2 { CD2:26.04 } atom: 676 75A-H N 7.359 ambi=1 { N:121.317 } ::sumAvg: 3.83 atom: 145 23L-HD1 D1 0.787 ambi=2 { CD1:22.272 } atom: 736 80F-HB2 B 3.178 ambi=2 { CB:38.945 } :: atom: 145 23L-HD1 D1 0.787 ambi=2 { CD1:22.272 } atom: 737 80F-HB3 B 2.91 ambi=2 { CB:38.945 } :: atom: 146 23L-HD2 D2 0.912 ambi=2 { CD2:26.04 } atom: 736 80F-HB2 B 3.178 ambi=2 { CB:38.945 } :: atom: 146 23L-HD2 D2 0.912 ambi=2 { CD2:26.04 } atom: 737 80F-HB3 B 2.91 ambi=2 { CB:38.945 } ::sumAvg: 4.72 atom: 145 23L-HD1 D1 0.787 ambi=2 { CD1:22.272 } atom: 742 80F-HZ Z 6.929 ambi=1 { CZ:128.254 } :: atom: 146 23L-HD2 D2 0.912 ambi=2 { CD2:26.04 } atom: 742 80F-HZ Z 6.929 ambi=1 { CZ:128.254 } ::sumAvg: 4.28 atom: 165 25E-HB2 B 1.993 ambi=2 { CB:29.473 } atom: 153 24N-H N 7.743 ambi=1 { N:116.978 } :: atom: 166 25E-HB3 B 2.095 ambi=2 { CB:29.473 } atom: 153 24N-H N 7.743 ambi=1 { N:116.978 } ::sumAvg: 4.74 atom: 227 30L-HD1 D1 0.769 ambi=2 { CD1:26.767 } atom: 153 24N-H N 7.743 ambi=1 { N:116.978 } :: atom: 228 30L-HD2 D2 0.868 ambi=2 { CD2:22.288 } atom: 153 24N-H N 7.743 ambi=1 { N:116.978 } ::sumAvg: 3.715 atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } atom: 164 25E-HA A 3.972 ambi=1 { CA:57.778 } ::sumAvg: 4.73 atom: 164 25E-HA A 3.972 ambi=1 { CA:57.778 } atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } ::sumAvg: 4.73 atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } atom: 173 26K-H N 7.266 ambi=1 { N:116.251 } ::sumAvg: 4.195 atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } atom: 189 27R-H N 8.158 ambi=1 { N:120.876 } ::sumAvg: 3.52 atom: 224 30L-HB2 B 1.691 ambi=2 { CB:41.578 } atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } :: atom: 225 30L-HB3 B 0.897 ambi=2 { CB:41.578 } atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } ::sumAvg: 4.405 atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } atom: 226 30L-HG G 1.54 ambi=1 { CG:26.06 } ::sumAvg: 3.64 atom: 226 30L-HG G 1.54 ambi=1 { CG:26.06 } atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } ::sumAvg: 3.64 atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } atom: 227 30L-HD1 D1 0.769 ambi=2 { CD1:26.767 } :: atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } atom: 228 30L-HD2 D2 0.868 ambi=2 { CD2:22.288 } ::sumAvg: 2.35 atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } atom: 257 32Y-QE E 6.663 ambi=3 { CE2:117.455 } ::sumAvg: 4.84 atom: 257 32Y-QE E 6.663 ambi=3 { CE2:117.455 } atom: 154 24N-HA A 4.629 ambi=1 { CA:54.698 } ::sumAvg: 4.84 atom: 167 25E-HG2 G 2.216 ambi=2 { CG:36.171 } atom: 155 24N-HB2 B 2.922 ambi=2 { CB:38.331 } :: atom: 168 25E-HG3 G 2.445 ambi=2 { CG:36.171 } atom: 155 24N-HB2 B 2.922 ambi=2 { CB:38.331 } :: atom: 167 25E-HG2 G 2.216 ambi=2 { CG:36.171 } atom: 156 24N-HB3 B 2.857 ambi=2 { CB:38.331 } :: atom: 168 25E-HG3 G 2.445 ambi=2 { CG:36.171 } atom: 156 24N-HB3 B 2.857 ambi=2 { CB:38.331 } ::sumAvg: 3.805 atom: 205 28R-HA A 4.407 ambi=1 { CA:55.68 } atom: 155 24N-HB2 B 2.922 ambi=2 { CB:38.331 } :: atom: 205 28R-HA A 4.407 ambi=1 { CA:55.68 } atom: 156 24N-HB3 B 2.857 ambi=2 { CB:38.331 } ::sumAvg: 4.685 atom: 227 30L-HD1 D1 0.769 ambi=2 { CD1:26.767 } atom: 155 24N-HB2 B 2.922 ambi=2 { CB:38.331 } :: atom: 228 30L-HD2 D2 0.868 ambi=2 { CD2:22.288 } atom: 155 24N-HB2 B 2.922 ambi=2 { CB:38.331 } :: atom: 227 30L-HD1 D1 0.769 ambi=2 { CD1:26.767 } atom: 156 24N-HB3 B 2.857 ambi=2 { CB:38.331 } :: atom: 228 30L-HD2 D2 0.868 ambi=2 { CD2:22.288 } atom: 156 24N-HB3 B 2.857 ambi=2 { CB:38.331 } ::sumAvg: 4.015 atom: 255 32Y-QD D 6.819 ambi=3 { CD1:132.711 CD2:132.832 } atom: 157 24N-HD21 D2 7.871 ambi=2 { ND2:115.411 } ::sumAvg: 4.53 atom: 257 32Y-QE E 6.663 ambi=3 { CE2:117.455 } atom: 157 24N-HD21 D2 7.871 ambi=2 { ND2:115.411 } ::sumAvg: 3.145 atom: 175 26K-HB2 B 1.308 ambi=2 { CB:33.484 } atom: 163 25E-H N 7.363 ambi=1 { N:115.271 } :: atom: 176 26K-HB3 B 1.518 ambi=2 { CB:33.484 } atom: 163 25E-H N 7.363 ambi=1 { N:115.271 } ::sumAvg: 4.61 atom: 164 25E-HA A 3.972 ambi=1 { CA:57.778 } atom: 208 28R-QG G 1.661 ambi=2 { CG:27.038 } ::sumAvg: 4.515 atom: 208 28R-QG G 1.661 ambi=2 { CG:27.038 } atom: 164 25E-HA A 3.972 ambi=1 { CA:57.778 } ::sumAvg: 4.515 atom: 210 28R-HD2 D 3.161 ambi=2 { CD:43.1 } atom: 164 25E-HA A 3.972 ambi=1 { CA:57.778 } :: atom: 211 28R-HD3 D 3.208 ambi=2 { CD:43.1 } atom: 164 25E-HA A 3.972 ambi=1 { CA:57.778 } ::sumAvg: 4.195 atom: 175 26K-HB2 B 1.308 ambi=2 { CB:33.484 } atom: 165 25E-HB2 B 1.993 ambi=2 { CB:29.473 } :: atom: 176 26K-HB3 B 1.518 ambi=2 { CB:33.484 } atom: 165 25E-HB2 B 1.993 ambi=2 { CB:29.473 } :: atom: 175 26K-HB2 B 1.308 ambi=2 { CB:33.484 } atom: 166 25E-HB3 B 2.095 ambi=2 { CB:29.473 } :: atom: 176 26K-HB3 B 1.518 ambi=2 { CB:33.484 } atom: 166 25E-HB3 B 2.095 ambi=2 { CB:29.473 } ::sumAvg: 4.905 atom: 179 26K-HD2 D 0.849 ambi=2 { CD:27.681 } atom: 165 25E-HB2 B 1.993 ambi=2 { CB:29.473 } :: atom: 180 26K-HD3 D 0.897 ambi=2 { CD:27.681 } atom: 165 25E-HB2 B 1.993 ambi=2 { CB:29.473 } :: atom: 179 26K-HD2 D 0.849 ambi=2 { CD:27.681 } atom: 166 25E-HB3 B 2.095 ambi=2 { CB:29.473 } :: atom: 180 26K-HD3 D 0.897 ambi=2 { CD:27.681 } atom: 166 25E-HB3 B 2.095 ambi=2 { CB:29.473 } ::sumAvg: 4.415 atom: 165 25E-HB2 B 1.993 ambi=2 { CB:29.473 } atom: 181 26K-QE E 2.5165 ambi=2 { CE:42.018 } :: atom: 166 25E-HB3 B 2.095 ambi=2 { CB:29.473 } atom: 181 26K-QE E 2.5165 ambi=2 { CE:42.018 } ::sumAvg: 4.615 atom: 181 26K-QE E 2.5165 ambi=2 { CE:42.018 } atom: 173 26K-H N 7.266 ambi=1 { N:116.251 } ::sumAvg: 4.75 atom: 191 27R-HB2 B 1.775 ambi=2 { CB:32.721 } atom: 173 26K-H N 7.266 ambi=1 { N:116.251 } :: atom: 192 27R-HB3 B 1.698 ambi=2 { CB:32.721 } atom: 173 26K-H N 7.266 ambi=1 { N:116.251 } ::sumAvg: 4.945 atom: 227 30L-HD1 D1 0.769 ambi=2 { CD1:26.767 } atom: 173 26K-H N 7.266 ambi=1 { N:116.251 } :: atom: 228 30L-HD2 D2 0.868 ambi=2 { CD2:22.288 } atom: 173 26K-H N 7.266 ambi=1 { N:116.251 } ::sumAvg: 4.725 atom: 687 76L-HD1 D1 0.88 ambi=2 { CD1:26 } atom: 173 26K-H N 7.266 ambi=1 { N:116.251 } :: atom: 688 76L-HD2 D2 0.715 ambi=2 { CD2:23.374 } atom: 173 26K-H N 7.266 ambi=1 { N:116.251 } ::sumAvg: 4.435 atom: 174 26K-HA A 4.103 ambi=1 { CA:56.048 } atom: 190 27R-HA A 4.619 ambi=1 { CA:52.505 } ::sumAvg: 4.55 atom: 190 27R-HA A 4.619 ambi=1 { CA:52.505 } atom: 174 26K-HA A 4.103 ambi=1 { CA:56.048 } ::sumAvg: 4.55 atom: 193 27R-HG2 G 1.417 ambi=2 { CG:26.703 } atom: 174 26K-HA A 4.103 ambi=1 { CA:56.048 } :: atom: 194 27R-HG3 G 1.518 ambi=2 { CG:26.703 } atom: 174 26K-HA A 4.103 ambi=1 { CA:56.048 } ::sumAvg: 4.45 atom: 174 26K-HA A 4.103 ambi=1 { CA:56.048 } atom: 740 80F-QE E 7.029 ambi=3 { CE1:130.379 CE2:130.6 } ::sumAvg: 4.655 atom: 740 80F-QE E 7.029 ambi=3 { CE1:130.379 CE2:130.6 } atom: 174 26K-HA A 4.103 ambi=1 { CA:56.048 } ::sumAvg: 4.655 atom: 174 26K-HA A 4.103 ambi=1 { CA:56.048 } atom: 742 80F-HZ Z 6.929 ambi=1 { CZ:128.254 } ::sumAvg: 4.795 atom: 742 80F-HZ Z 6.929 ambi=1 { CZ:128.254 } atom: 174 26K-HA A 4.103 ambi=1 { CA:56.048 } ::sumAvg: 4.795 atom: 175 26K-HB2 B 1.308 ambi=2 { CB:33.484 } atom: 190 27R-HA A 4.619 ambi=1 { CA:52.505 } :: atom: 176 26K-HB3 B 1.518 ambi=2 { CB:33.484 } atom: 190 27R-HA A 4.619 ambi=1 { CA:52.505 } ::sumAvg: 4.825 atom: 175 26K-HB2 B 1.308 ambi=2 { CB:33.484 } atom: 191 27R-HB2 B 1.775 ambi=2 { CB:32.721 } ::sumAvg: 4.205 atom: 175 26K-HB2 B 1.308 ambi=2 { CB:33.484 } atom: 195 27R-HD2 D 3.184 ambi=2 { CD:42.179 } :: atom: 175 26K-HB2 B 1.308 ambi=2 { CB:33.484 } atom: 196 27R-HD3 D 3.586 ambi=2 { CD:42.179 } :: atom: 176 26K-HB3 B 1.518 ambi=2 { CB:33.484 } atom: 195 27R-HD2 D 3.184 ambi=2 { CD:42.179 } :: atom: 176 26K-HB3 B 1.518 ambi=2 { CB:33.484 } atom: 196 27R-HD3 D 3.586 ambi=2 { CD:42.179 } ::sumAvg: 4.875 atom: 175 26K-HB2 B 1.308 ambi=2 { CB:33.484 } atom: 738 80F-QD D 7.201 ambi=3 { CD2:132.953 } :: atom: 176 26K-HB3 B 1.518 ambi=2 { CB:33.484 } atom: 738 80F-QD D 7.201 ambi=3 { CD2:132.953 } ::sumAvg: 3.775 atom: 177 26K-HG2 G 0.747 ambi=2 { CG:23.978 } atom: 738 80F-QD D 7.201 ambi=3 { CD2:132.953 } :: atom: 178 26K-HG3 G 1.205 ambi=2 { CG:23.978 } atom: 738 80F-QD D 7.201 ambi=3 { CD2:132.953 } ::sumAvg: 3.625 atom: 177 26K-HG2 G 0.747 ambi=2 { CG:23.978 } atom: 742 80F-HZ Z 6.929 ambi=1 { CZ:128.254 } :: atom: 178 26K-HG3 G 1.205 ambi=2 { CG:23.978 } atom: 742 80F-HZ Z 6.929 ambi=1 { CZ:128.254 } ::sumAvg: 4.935 atom: 179 26K-HD2 D 0.849 ambi=2 { CD:27.681 } atom: 736 80F-HB2 B 3.178 ambi=2 { CB:38.945 } :: atom: 179 26K-HD2 D 0.849 ambi=2 { CD:27.681 } atom: 737 80F-HB3 B 2.91 ambi=2 { CB:38.945 } :: atom: 180 26K-HD3 D 0.897 ambi=2 { CD:27.681 } atom: 736 80F-HB2 B 3.178 ambi=2 { CB:38.945 } :: atom: 180 26K-HD3 D 0.897 ambi=2 { CD:27.681 } atom: 737 80F-HB3 B 2.91 ambi=2 { CB:38.945 } ::sumAvg: 4.075 atom: 179 26K-HD2 D 0.849 ambi=2 { CD:27.681 } atom: 738 80F-QD D 7.201 ambi=3 { CD2:132.953 } :: atom: 180 26K-HD3 D 0.897 ambi=2 { CD:27.681 } atom: 738 80F-QD D 7.201 ambi=3 { CD2:132.953 } ::sumAvg: 3.445 atom: 179 26K-HD2 D 0.849 ambi=2 { CD:27.681 } atom: 740 80F-QE E 7.029 ambi=3 { CE1:130.379 CE2:130.6 } :: atom: 180 26K-HD3 D 0.897 ambi=2 { CD:27.681 } atom: 740 80F-QE E 7.029 ambi=3 { CE1:130.379 CE2:130.6 } ::sumAvg: 3.485 atom: 179 26K-HD2 D 0.849 ambi=2 { CD:27.681 } atom: 742 80F-HZ Z 6.929 ambi=1 { CZ:128.254 } :: atom: 180 26K-HD3 D 0.897 ambi=2 { CD:27.681 } atom: 742 80F-HZ Z 6.929 ambi=1 { CZ:128.254 } ::sumAvg: 4.59 atom: 181 26K-QE E 2.5165 ambi=2 { CE:42.018 } atom: 740 80F-QE E 7.029 ambi=3 { CE1:130.379 CE2:130.6 } ::sumAvg: 4.93 atom: 208 28R-QG G 1.661 ambi=2 { CG:27.038 } atom: 189 27R-H N 8.158 ambi=1 { N:120.876 } ::sumAvg: 4.485 atom: 190 27R-HA A 4.619 ambi=1 { CA:52.505 } atom: 197 27R-HE E 9.135 ambi=1 { NE:85.606 } ::sumAvg: 4.9 atom: 206 28R-HB2 B 1.786 ambi=2 { CB:30.867 } atom: 190 27R-HA A 4.619 ambi=1 { CA:52.505 } :: atom: 207 28R-HB3 B 1.766 ambi=2 { CB:30.867 } atom: 190 27R-HA A 4.619 ambi=1 { CA:52.505 } ::sumAvg: 4.575 atom: 208 28R-QG G 1.661 ambi=2 { CG:27.038 } atom: 190 27R-HA A 4.619 ambi=1 { CA:52.505 } ::sumAvg: 3.71 atom: 190 27R-HA A 4.619 ambi=1 { CA:52.505 } atom: 227 30L-HD1 D1 0.769 ambi=2 { CD1:26.767 } :: atom: 190 27R-HA A 4.619 ambi=1 { CA:52.505 } atom: 228 30L-HD2 D2 0.868 ambi=2 { CD2:22.288 } ::sumAvg: 4.23 atom: 190 27R-HA A 4.619 ambi=1 { CA:52.505 } atom: 449 52V-HG1 G1 0.943 ambi=2 { CG1:22.154 } :: atom: 190 27R-HA A 4.619 ambi=1 { CA:52.505 } atom: 450 52V-HG2 G2 0.938 ambi=2 { CG2:22.041 } ::sumAvg: 4.715 atom: 449 52V-HG1 G1 0.943 ambi=2 { CG1:22.154 } atom: 190 27R-HA A 4.619 ambi=1 { CA:52.505 } :: atom: 450 52V-HG2 G2 0.938 ambi=2 { CG2:22.041 } atom: 190 27R-HA A 4.619 ambi=1 { CA:52.505 } ::sumAvg: 4.715 atom: 190 27R-HA A 4.619 ambi=1 { CA:52.505 } atom: 742 80F-HZ Z 6.929 ambi=1 { CZ:128.254 } ::sumAvg: 4.675 atom: 742 80F-HZ Z 6.929 ambi=1 { CZ:128.254 } atom: 190 27R-HA A 4.619 ambi=1 { CA:52.505 } ::sumAvg: 4.675 atom: 191 27R-HB2 B 1.775 ambi=2 { CB:32.721 } atom: 197 27R-HE E 9.135 ambi=1 { NE:85.606 } :: atom: 192 27R-HB3 B 1.698 ambi=2 { CB:32.721 } atom: 197 27R-HE E 9.135 ambi=1 { NE:85.606 } ::sumAvg: 4.585 atom: 191 27R-HB2 B 1.775 ambi=2 { CB:32.721 } atom: 205 28R-HA A 4.407 ambi=1 { CA:55.68 } :: atom: 192 27R-HB3 B 1.698 ambi=2 { CB:32.721 } atom: 205 28R-HA A 4.407 ambi=1 { CA:55.68 } ::sumAvg: 4.64 atom: 191 27R-HB2 B 1.775 ambi=2 { CB:32.721 } atom: 447 52V-HA A 4.271 ambi=1 { CA:60.843 } :: atom: 192 27R-HB3 B 1.698 ambi=2 { CB:32.721 } atom: 447 52V-HA A 4.271 ambi=1 { CA:60.843 } ::sumAvg: 4.495 atom: 191 27R-HB2 B 1.775 ambi=2 { CB:32.721 } atom: 456 53D-H N 9.154 ambi=1 { N:127.118 } :: atom: 192 27R-HB3 B 1.698 ambi=2 { CB:32.721 } atom: 456 53D-H N 9.154 ambi=1 { N:127.118 } ::sumAvg: 4.065 atom: 191 27R-HB2 B 1.775 ambi=2 { CB:32.721 } atom: 740 80F-QE E 7.029 ambi=3 { CE1:130.379 CE2:130.6 } :: atom: 192 27R-HB3 B 1.698 ambi=2 { CB:32.721 } atom: 740 80F-QE E 7.029 ambi=3 { CE1:130.379 CE2:130.6 } ::sumAvg: 4.245 atom: 191 27R-HB2 B 1.775 ambi=2 { CB:32.721 } atom: 742 80F-HZ Z 6.929 ambi=1 { CZ:128.254 } :: atom: 192 27R-HB3 B 1.698 ambi=2 { CB:32.721 } atom: 742 80F-HZ Z 6.929 ambi=1 { CZ:128.254 } ::sumAvg: 4.525 atom: 193 27R-HG2 G 1.417 ambi=2 { CG:26.703 } atom: 448 52V-HB B 2.161 ambi=1 { CB:33.843 } :: atom: 194 27R-HG3 G 1.518 ambi=2 { CG:26.703 } atom: 448 52V-HB B 2.161 ambi=1 { CB:33.843 } ::sumAvg: 4.805 atom: 193 27R-HG2 G 1.417 ambi=2 { CG:26.703 } atom: 457 53D-HA A 4.237 ambi=1 { CA:54.764 } :: atom: 194 27R-HG3 G 1.518 ambi=2 { CG:26.703 } atom: 457 53D-HA A 4.237 ambi=1 { CA:54.764 } ::sumAvg: 4.985 atom: 193 27R-HG2 G 1.417 ambi=2 { CG:26.703 } atom: 458 53D-HB2 B 2.897 ambi=2 { CB:38.138 } :: atom: 193 27R-HG2 G 1.417 ambi=2 { CG:26.703 } atom: 459 53D-HB3 B 2.783 ambi=2 { CB:38.138 } :: atom: 194 27R-HG3 G 1.518 ambi=2 { CG:26.703 } atom: 458 53D-HB2 B 2.897 ambi=2 { CB:38.138 } :: atom: 194 27R-HG3 G 1.518 ambi=2 { CG:26.703 } atom: 459 53D-HB3 B 2.783 ambi=2 { CB:38.138 } ::sumAvg: 3.775 atom: 458 53D-HB2 B 2.897 ambi=2 { CB:38.138 } atom: 193 27R-HG2 G 1.417 ambi=2 { CG:26.703 } :: atom: 459 53D-HB3 B 2.783 ambi=2 { CB:38.138 } atom: 193 27R-HG2 G 1.417 ambi=2 { CG:26.703 } :: atom: 458 53D-HB2 B 2.897 ambi=2 { CB:38.138 } atom: 194 27R-HG3 G 1.518 ambi=2 { CG:26.703 } :: atom: 459 53D-HB3 B 2.783 ambi=2 { CB:38.138 } atom: 194 27R-HG3 G 1.518 ambi=2 { CG:26.703 } ::sumAvg: 3.775 atom: 227 30L-HD1 D1 0.769 ambi=2 { CD1:26.767 } atom: 195 27R-HD2 D 3.184 ambi=2 { CD:42.179 } :: atom: 228 30L-HD2 D2 0.868 ambi=2 { CD2:22.288 } atom: 195 27R-HD2 D 3.184 ambi=2 { CD:42.179 } :: atom: 227 30L-HD1 D1 0.769 ambi=2 { CD1:26.767 } atom: 196 27R-HD3 D 3.586 ambi=2 { CD:42.179 } :: atom: 228 30L-HD2 D2 0.868 ambi=2 { CD2:22.288 } atom: 196 27R-HD3 D 3.586 ambi=2 { CD:42.179 } ::sumAvg: 3.955 atom: 195 27R-HD2 D 3.184 ambi=2 { CD:42.179 } atom: 457 53D-HA A 4.237 ambi=1 { CA:54.764 } :: atom: 196 27R-HD3 D 3.586 ambi=2 { CD:42.179 } atom: 457 53D-HA A 4.237 ambi=1 { CA:54.764 } ::sumAvg: 4.19 atom: 457 53D-HA A 4.237 ambi=1 { CA:54.764 } atom: 195 27R-HD2 D 3.184 ambi=2 { CD:42.179 } :: atom: 457 53D-HA A 4.237 ambi=1 { CA:54.764 } atom: 196 27R-HD3 D 3.586 ambi=2 { CD:42.179 } ::sumAvg: 4.19 atom: 195 27R-HD2 D 3.184 ambi=2 { CD:42.179 } atom: 459 53D-HB3 B 2.783 ambi=2 { CB:38.138 } :: atom: 196 27R-HD3 D 3.586 ambi=2 { CD:42.179 } atom: 458 53D-HB2 B 2.897 ambi=2 { CB:38.138 } :: atom: 196 27R-HD3 D 3.586 ambi=2 { CD:42.179 } atom: 459 53D-HB3 B 2.783 ambi=2 { CB:38.138 } ::sumAvg: 4.1 atom: 459 53D-HB3 B 2.783 ambi=2 { CB:38.138 } atom: 195 27R-HD2 D 3.184 ambi=2 { CD:42.179 } :: atom: 458 53D-HB2 B 2.897 ambi=2 { CB:38.138 } atom: 196 27R-HD3 D 3.586 ambi=2 { CD:42.179 } :: atom: 459 53D-HB3 B 2.783 ambi=2 { CB:38.138 } atom: 196 27R-HD3 D 3.586 ambi=2 { CD:42.179 } ::sumAvg: 4.1 atom: 726 79L-HD1 D1 0.736 ambi=2 { CD1:26.096 } atom: 195 27R-HD2 D 3.184 ambi=2 { CD:42.179 } :: atom: 727 79L-HD2 D2 0.784 ambi=2 { CD2:21.774 } atom: 195 27R-HD2 D 3.184 ambi=2 { CD:42.179 } :: atom: 726 79L-HD1 D1 0.736 ambi=2 { CD1:26.096 } atom: 196 27R-HD3 D 3.586 ambi=2 { CD:42.179 } :: atom: 727 79L-HD2 D2 0.784 ambi=2 { CD2:21.774 } atom: 196 27R-HD3 D 3.586 ambi=2 { CD:42.179 } ::sumAvg: 4.88 atom: 195 27R-HD2 D 3.184 ambi=2 { CD:42.179 } atom: 740 80F-QE E 7.029 ambi=3 { CE1:130.379 CE2:130.6 } :: atom: 196 27R-HD3 D 3.586 ambi=2 { CD:42.179 } atom: 740 80F-QE E 7.029 ambi=3 { CE1:130.379 CE2:130.6 } ::sumAvg: 4.545 atom: 723 79L-HB2 B 1.251 ambi=2 { CB:42.761 } atom: 197 27R-HE E 9.135 ambi=1 { NE:85.606 } :: atom: 724 79L-HB3 B 0.375 ambi=2 { CB:42.761 } atom: 197 27R-HE E 9.135 ambi=1 { NE:85.606 } ::sumAvg: 4.565 atom: 740 80F-QE E 7.029 ambi=3 { CE1:130.379 CE2:130.6 } atom: 197 27R-HE E 9.135 ambi=1 { NE:85.606 } ::sumAvg: 3.77 atom: 742 80F-HZ Z 6.929 ambi=1 { CZ:128.254 } atom: 197 27R-HE E 9.135 ambi=1 { NE:85.606 } ::sumAvg: 3.05 atom: 226 30L-HG G 1.54 ambi=1 { CG:26.06 } atom: 204 28R-H N 8.35 ambi=1 { N:122.416 } ::sumAvg: 4.495 atom: 205 28R-HA A 4.407 ambi=1 { CA:55.68 } atom: 226 30L-HG G 1.54 ambi=1 { CG:26.06 } ::sumAvg: 3.28 atom: 226 30L-HG G 1.54 ambi=1 { CG:26.06 } atom: 205 28R-HA A 4.407 ambi=1 { CA:55.68 } ::sumAvg: 3.28 atom: 205 28R-HA A 4.407 ambi=1 { CA:55.68 } atom: 227 30L-HD1 D1 0.769 ambi=2 { CD1:26.767 } :: atom: 205 28R-HA A 4.407 ambi=1 { CA:55.68 } atom: 228 30L-HD2 D2 0.868 ambi=2 { CD2:22.288 } ::sumAvg: 4.125 atom: 227 30L-HD1 D1 0.769 ambi=2 { CD1:26.767 } atom: 205 28R-HA A 4.407 ambi=1 { CA:55.68 } :: atom: 228 30L-HD2 D2 0.868 ambi=2 { CD2:22.288 } atom: 205 28R-HA A 4.407 ambi=1 { CA:55.68 } ::sumAvg: 4.125 atom: 224 30L-HB2 B 1.691 ambi=2 { CB:41.578 } atom: 217 29G-H N 8.586 ambi=1 { N:108.952 } :: atom: 225 30L-HB3 B 0.897 ambi=2 { CB:41.578 } atom: 217 29G-H N 8.586 ambi=1 { N:108.952 } ::sumAvg: 4.705 atom: 226 30L-HG G 1.54 ambi=1 { CG:26.06 } atom: 217 29G-H N 8.586 ambi=1 { N:108.952 } ::sumAvg: 3.69 atom: 227 30L-HD1 D1 0.769 ambi=2 { CD1:26.767 } atom: 217 29G-H N 8.586 ambi=1 { N:108.952 } :: atom: 228 30L-HD2 D2 0.868 ambi=2 { CD2:22.288 } atom: 217 29G-H N 8.586 ambi=1 { N:108.952 } ::sumAvg: 4.58 atom: 218 29G-HA2 A 3.83 ambi=2 { CA:46.262 } atom: 226 30L-HG G 1.54 ambi=1 { CG:26.06 } :: atom: 219 29G-HA3 A 3.87 ambi=2 { CA:46.262 } atom: 226 30L-HG G 1.54 ambi=1 { CG:26.06 } ::sumAvg: 4.73 atom: 226 30L-HG G 1.54 ambi=1 { CG:26.06 } atom: 218 29G-HA2 A 3.83 ambi=2 { CA:46.262 } :: atom: 226 30L-HG G 1.54 ambi=1 { CG:26.06 } atom: 219 29G-HA3 A 3.87 ambi=2 { CA:46.262 } ::sumAvg: 4.73 atom: 438 51E-HB2 B 1.968 ambi=2 { CB:31.035 } atom: 223 30L-HA A 4.225 ambi=1 { CA:54.951 } :: atom: 439 51E-HB3 B 1.683 ambi=2 { CB:31.035 } atom: 223 30L-HA A 4.225 ambi=1 { CA:54.951 } ::sumAvg: 4.63 atom: 224 30L-HB2 B 1.691 ambi=2 { CB:41.578 } atom: 236 31K-HA A 4.599 ambi=1 { CA:54.656 } :: atom: 225 30L-HB3 B 0.897 ambi=2 { CB:41.578 } atom: 236 31K-HA A 4.599 ambi=1 { CA:54.656 } ::sumAvg: 4.605 atom: 224 30L-HB2 B 1.691 ambi=2 { CB:41.578 } atom: 255 32Y-QD D 6.819 ambi=3 { CD1:132.711 CD2:132.832 } :: atom: 225 30L-HB3 B 0.897 ambi=2 { CB:41.578 } atom: 255 32Y-QD D 6.819 ambi=3 { CD1:132.711 CD2:132.832 } ::sumAvg: 4.095 atom: 227 30L-HD1 D1 0.769 ambi=2 { CD1:26.767 } atom: 255 32Y-QD D 6.819 ambi=3 { CD1:132.711 CD2:132.832 } :: atom: 228 30L-HD2 D2 0.868 ambi=2 { CD2:22.288 } atom: 255 32Y-QD D 6.819 ambi=3 { CD1:132.711 CD2:132.832 } ::sumAvg: 4.845 atom: 440 51E-QG G 1.8075 ambi=2 { CG:36.411 } atom: 227 30L-HD1 D1 0.769 ambi=2 { CD1:26.767 } :: atom: 440 51E-QG G 1.8075 ambi=2 { CG:36.411 } atom: 228 30L-HD2 D2 0.868 ambi=2 { CD2:22.288 } ::sumAvg: 4.39 atom: 227 30L-HD1 D1 0.769 ambi=2 { CD1:26.767 } atom: 446 52V-H N 9.375 ambi=1 { N:126.813 } :: atom: 228 30L-HD2 D2 0.868 ambi=2 { CD2:22.288 } atom: 446 52V-H N 9.375 ambi=1 { N:126.813 } ::sumAvg: 4.21 atom: 252 32Y-HA A 4.944 ambi=1 { CA:56.764 } atom: 235 31K-H N 8.494 ambi=1 { N:121.744 } ::sumAvg: 4.93 atom: 255 32Y-QD D 6.819 ambi=3 { CD1:132.711 CD2:132.832 } atom: 235 31K-H N 8.494 ambi=1 { N:121.744 } ::sumAvg: 4.735 atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } atom: 235 31K-H N 8.494 ambi=1 { N:121.744 } ::sumAvg: 4.42 atom: 440 51E-QG G 1.8075 ambi=2 { CG:36.411 } atom: 235 31K-H N 8.494 ambi=1 { N:121.744 } ::sumAvg: 4.85 atom: 447 52V-HA A 4.271 ambi=1 { CA:60.843 } atom: 235 31K-H N 8.494 ambi=1 { N:121.744 } ::sumAvg: 4.9 atom: 449 52V-HG1 G1 0.943 ambi=2 { CG1:22.154 } atom: 235 31K-H N 8.494 ambi=1 { N:121.744 } :: atom: 450 52V-HG2 G2 0.938 ambi=2 { CG2:22.041 } atom: 235 31K-H N 8.494 ambi=1 { N:121.744 } ::sumAvg: 4.35 atom: 236 31K-HA A 4.599 ambi=1 { CA:54.656 } atom: 429 50V-HG1 G1 0.696 ambi=2 { CG1:18.309 } :: atom: 236 31K-HA A 4.599 ambi=1 { CA:54.656 } atom: 430 50V-HG2 G2 0.262 ambi=2 { CG2:21.31 } ::sumAvg: 4.605 atom: 429 50V-HG1 G1 0.696 ambi=2 { CG1:18.309 } atom: 236 31K-HA A 4.599 ambi=1 { CA:54.656 } :: atom: 430 50V-HG2 G2 0.262 ambi=2 { CG2:21.31 } atom: 236 31K-HA A 4.599 ambi=1 { CA:54.656 } ::sumAvg: 4.605 atom: 237 31K-HB2 B 1.786 ambi=2 { CB:34.201 } atom: 252 32Y-HA A 4.944 ambi=1 { CA:56.764 } :: atom: 238 31K-HB3 B 1.7 ambi=2 { CB:34.201 } atom: 252 32Y-HA A 4.944 ambi=1 { CA:56.764 } ::sumAvg: 4.94 atom: 237 31K-HB2 B 1.786 ambi=2 { CB:34.201 } atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } :: atom: 238 31K-HB3 B 1.7 ambi=2 { CB:34.201 } atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } ::sumAvg: 4.61 atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } atom: 237 31K-HB2 B 1.786 ambi=2 { CB:34.201 } :: atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } atom: 238 31K-HB3 B 1.7 ambi=2 { CB:34.201 } ::sumAvg: 4.61 atom: 237 31K-HB2 B 1.786 ambi=2 { CB:34.201 } atom: 436 51E-H N 8.063 ambi=1 { N:129.133 } :: atom: 238 31K-HB3 B 1.7 ambi=2 { CB:34.201 } atom: 436 51E-H N 8.063 ambi=1 { N:129.133 } ::sumAvg: 3.225 atom: 239 31K-HG2 G 1.407 ambi=2 { CG:24.467 } atom: 252 32Y-HA A 4.944 ambi=1 { CA:56.764 } :: atom: 240 31K-HG3 G 1.299 ambi=2 { CG:24.467 } atom: 252 32Y-HA A 4.944 ambi=1 { CA:56.764 } ::sumAvg: 3.965 atom: 239 31K-HG2 G 1.407 ambi=2 { CG:24.467 } atom: 266 33E-H N 9.441 ambi=1 { N:124.37 } :: atom: 240 31K-HG3 G 1.299 ambi=2 { CG:24.467 } atom: 266 33E-H N 9.441 ambi=1 { N:124.37 } ::sumAvg: 4.11 atom: 239 31K-HG2 G 1.407 ambi=2 { CG:24.467 } atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } :: atom: 240 31K-HG3 G 1.299 ambi=2 { CG:24.467 } atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } ::sumAvg: 4.57 atom: 239 31K-HG2 G 1.407 ambi=2 { CG:24.467 } atom: 436 51E-H N 8.063 ambi=1 { N:129.133 } :: atom: 240 31K-HG3 G 1.299 ambi=2 { CG:24.467 } atom: 436 51E-H N 8.063 ambi=1 { N:129.133 } ::sumAvg: 4.28 atom: 241 31K-QD D 1.672 ambi=2 { CD:28.918 } atom: 436 51E-H N 8.063 ambi=1 { N:129.133 } ::sumAvg: 4.785 atom: 241 31K-QD D 1.672 ambi=2 { CD:28.918 } atom: 490 56K-QE E 2.814 ambi=2 { CE:41.78 } ::sumAvg: 4.57 atom: 243 31K-QE E 2.9685 ambi=2 { CE:41.78 } atom: 266 33E-H N 9.441 ambi=1 { N:124.37 } ::sumAvg: 4.99 atom: 268 33E-HB2 B 1.943 ambi=2 { CB:32.61 } atom: 243 31K-QE E 2.9685 ambi=2 { CE:41.78 } :: atom: 269 33E-HB3 B 1.814 ambi=2 { CB:32.61 } atom: 243 31K-QE E 2.9685 ambi=2 { CE:41.78 } ::sumAvg: 2.675 atom: 243 31K-QE E 2.9685 ambi=2 { CE:41.78 } atom: 270 33E-HG2 G 2.219 ambi=2 { CG:35.425 } :: atom: 243 31K-QE E 2.9685 ambi=2 { CE:41.78 } atom: 271 33E-HG3 G 2.06 ambi=2 { CG:35.425 } ::sumAvg: 4.135 atom: 270 33E-HG2 G 2.219 ambi=2 { CG:35.425 } atom: 243 31K-QE E 2.9685 ambi=2 { CE:41.78 } :: atom: 271 33E-HG3 G 2.06 ambi=2 { CG:35.425 } atom: 243 31K-QE E 2.9685 ambi=2 { CE:41.78 } ::sumAvg: 4.135 atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } atom: 251 32Y-H N 8.68 ambi=1 { N:124.248 } ::sumAvg: 4.805 atom: 252 32Y-HA A 4.944 ambi=1 { CA:56.764 } atom: 257 32Y-QE E 6.663 ambi=3 { CE2:117.455 } ::sumAvg: 4.675 atom: 252 32Y-HA A 4.944 ambi=1 { CA:56.764 } atom: 270 33E-HG2 G 2.219 ambi=2 { CG:35.425 } :: atom: 252 32Y-HA A 4.944 ambi=1 { CA:56.764 } atom: 271 33E-HG3 G 2.06 ambi=2 { CG:35.425 } ::sumAvg: 4.14 atom: 406 48M-HB2 B 1.793 ambi=2 { CB:35.417 } atom: 252 32Y-HA A 4.944 ambi=1 { CA:56.764 } :: atom: 407 48M-HB3 B 1.751 ambi=2 { CB:35.417 } atom: 252 32Y-HA A 4.944 ambi=1 { CA:56.764 } ::sumAvg: 4.98 atom: 252 32Y-HA A 4.944 ambi=1 { CA:56.764 } atom: 410 48M-HE E 1.931 ambi=1 { CE:17.038 } ::sumAvg: 4.24 atom: 252 32Y-HA A 4.944 ambi=1 { CA:56.764 } atom: 426 50V-H N 9.162 ambi=1 { N:125.164 } ::sumAvg: 4.915 atom: 252 32Y-HA A 4.944 ambi=1 { CA:56.764 } atom: 429 50V-HG1 G1 0.696 ambi=2 { CG1:18.309 } :: atom: 252 32Y-HA A 4.944 ambi=1 { CA:56.764 } atom: 430 50V-HG2 G2 0.262 ambi=2 { CG2:21.31 } ::sumAvg: 3.35 atom: 612 68K-HG2 G 1.367 ambi=2 { CG:25.665 } atom: 252 32Y-HA A 4.944 ambi=1 { CA:56.764 } :: atom: 613 68K-HG3 G 0.802 ambi=2 { CG:25.665 } atom: 252 32Y-HA A 4.944 ambi=1 { CA:56.764 } ::sumAvg: 4.855 atom: 253 32Y-HB2 B 2.513 ambi=2 { CB:39.337 } atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } :: atom: 254 32Y-HB3 B 2.856 ambi=2 { CB:39.337 } atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } ::sumAvg: 4.855 atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } atom: 253 32Y-HB2 B 2.513 ambi=2 { CB:39.337 } :: atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } atom: 254 32Y-HB3 B 2.856 ambi=2 { CB:39.337 } ::sumAvg: 4.855 atom: 253 32Y-HB2 B 2.513 ambi=2 { CB:39.337 } atom: 429 50V-HG1 G1 0.696 ambi=2 { CG1:18.309 } :: atom: 253 32Y-HB2 B 2.513 ambi=2 { CB:39.337 } atom: 430 50V-HG2 G2 0.262 ambi=2 { CG2:21.31 } :: atom: 254 32Y-HB3 B 2.856 ambi=2 { CB:39.337 } atom: 429 50V-HG1 G1 0.696 ambi=2 { CG1:18.309 } :: atom: 254 32Y-HB3 B 2.856 ambi=2 { CB:39.337 } atom: 430 50V-HG2 G2 0.262 ambi=2 { CG2:21.31 } ::sumAvg: 4.69 atom: 253 32Y-HB2 B 2.513 ambi=2 { CB:39.337 } atom: 610 68K-HB2 B 1.602 ambi=2 { CB:32.096 } :: atom: 253 32Y-HB2 B 2.513 ambi=2 { CB:39.337 } atom: 611 68K-HB3 B 1.292 ambi=2 { CB:32.096 } :: atom: 254 32Y-HB3 B 2.856 ambi=2 { CB:39.337 } atom: 610 68K-HB2 B 1.602 ambi=2 { CB:32.096 } :: atom: 254 32Y-HB3 B 2.856 ambi=2 { CB:39.337 } atom: 611 68K-HB3 B 1.292 ambi=2 { CB:32.096 } ::sumAvg: 4.795 atom: 255 32Y-QD D 6.819 ambi=3 { CD1:132.711 CD2:132.832 } atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } ::sumAvg: 4.06 atom: 257 32Y-QE E 6.663 ambi=3 { CE2:117.455 } atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } ::sumAvg: 4.855 atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } atom: 257 32Y-QE E 6.663 ambi=3 { CE2:117.455 } ::sumAvg: 4.855 atom: 277 34L-HA A 4.975 ambi=1 { CA:54.951 } atom: 268 33E-HB2 B 1.943 ambi=2 { CB:32.61 } :: atom: 277 34L-HA A 4.975 ambi=1 { CA:54.951 } atom: 269 33E-HB3 B 1.814 ambi=2 { CB:32.61 } ::sumAvg: 4.84 atom: 268 33E-HB2 B 1.943 ambi=2 { CB:32.61 } atom: 279 34L-HB3 B 1.421 ambi=2 { CB:41.622 } ::sumAvg: 4.705 atom: 295 35I-HD1 D1 0.651 ambi=1 { CD1:10.733 } atom: 268 33E-HB2 B 1.943 ambi=2 { CB:32.61 } :: atom: 295 35I-HD1 D1 0.651 ambi=1 { CD1:10.733 } atom: 269 33E-HB3 B 1.814 ambi=2 { CB:32.61 } ::sumAvg: 4.34 atom: 277 34L-HA A 4.975 ambi=1 { CA:54.951 } atom: 270 33E-HG2 G 2.219 ambi=2 { CG:35.425 } :: atom: 277 34L-HA A 4.975 ambi=1 { CA:54.951 } atom: 271 33E-HG3 G 2.06 ambi=2 { CG:35.425 } ::sumAvg: 4.355 atom: 270 33E-HG2 G 2.219 ambi=2 { CG:35.425 } atom: 289 35I-H N 8.979 ambi=1 { N:126.944 } :: atom: 271 33E-HG3 G 2.06 ambi=2 { CG:35.425 } atom: 289 35I-H N 8.979 ambi=1 { N:126.944 } ::sumAvg: 4.65 atom: 270 33E-HG2 G 2.219 ambi=2 { CG:35.425 } atom: 290 35I-HA A 4.358 ambi=1 { CA:60.307 } :: atom: 271 33E-HG3 G 2.06 ambi=2 { CG:35.425 } atom: 290 35I-HA A 4.358 ambi=1 { CA:60.307 } ::sumAvg: 4.39 atom: 290 35I-HA A 4.358 ambi=1 { CA:60.307 } atom: 270 33E-HG2 G 2.219 ambi=2 { CG:35.425 } :: atom: 290 35I-HA A 4.358 ambi=1 { CA:60.307 } atom: 271 33E-HG3 G 2.06 ambi=2 { CG:35.425 } ::sumAvg: 4.39 atom: 270 33E-HG2 G 2.219 ambi=2 { CG:35.425 } atom: 405 48M-HA A 5.61 ambi=1 { CA:52.17 } :: atom: 271 33E-HG3 G 2.06 ambi=2 { CG:35.425 } atom: 405 48M-HA A 5.61 ambi=1 { CA:52.17 } ::sumAvg: 4.975 atom: 405 48M-HA A 5.61 ambi=1 { CA:52.17 } atom: 270 33E-HG2 G 2.219 ambi=2 { CG:35.425 } :: atom: 405 48M-HA A 5.61 ambi=1 { CA:52.17 } atom: 271 33E-HG3 G 2.06 ambi=2 { CG:35.425 } ::sumAvg: 4.975 atom: 270 33E-HG2 G 2.219 ambi=2 { CG:35.425 } atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } :: atom: 271 33E-HG3 G 2.06 ambi=2 { CG:35.425 } atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } ::sumAvg: 4.35 atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } atom: 270 33E-HG2 G 2.219 ambi=2 { CG:35.425 } :: atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } atom: 271 33E-HG3 G 2.06 ambi=2 { CG:35.425 } ::sumAvg: 4.35 atom: 277 34L-HA A 4.975 ambi=1 { CA:54.951 } atom: 290 35I-HA A 4.358 ambi=1 { CA:60.307 } ::sumAvg: 4.41 atom: 277 34L-HA A 4.975 ambi=1 { CA:54.951 } atom: 291 35I-HB B 1.873 ambi=1 { CB:37.614 } ::sumAvg: 4.605 atom: 277 34L-HA A 4.975 ambi=1 { CA:54.951 } atom: 295 35I-HD1 D1 0.651 ambi=1 { CD1:10.733 } ::sumAvg: 4.4 atom: 277 34L-HA A 4.975 ambi=1 { CA:54.951 } atom: 406 48M-HB2 B 1.793 ambi=2 { CB:35.417 } :: atom: 277 34L-HA A 4.975 ambi=1 { CA:54.951 } atom: 407 48M-HB3 B 1.751 ambi=2 { CB:35.417 } ::sumAvg: 4.075 atom: 406 48M-HB2 B 1.793 ambi=2 { CB:35.417 } atom: 277 34L-HA A 4.975 ambi=1 { CA:54.951 } :: atom: 407 48M-HB3 B 1.751 ambi=2 { CB:35.417 } atom: 277 34L-HA A 4.975 ambi=1 { CA:54.951 } ::sumAvg: 4.075 atom: 277 34L-HA A 4.975 ambi=1 { CA:54.951 } atom: 408 48M-HG2 G 2.529 ambi=2 { CG:33.062 } :: atom: 277 34L-HA A 4.975 ambi=1 { CA:54.951 } atom: 409 48M-HG3 G 2.345 ambi=2 { CG:33.062 } ::sumAvg: 4.325 atom: 277 34L-HA A 4.975 ambi=1 { CA:54.951 } atom: 410 48M-HE E 1.931 ambi=1 { CE:17.038 } ::sumAvg: 3.045 atom: 277 34L-HA A 4.975 ambi=1 { CA:54.951 } atom: 569 64K-QE E 2.742 ambi=2 { CE:41.78 } ::sumAvg: 4.98 atom: 569 64K-QE E 2.742 ambi=2 { CE:41.78 } atom: 277 34L-HA A 4.975 ambi=1 { CA:54.951 } ::sumAvg: 4.98 atom: 566 64K-HD2 D 1.455 ambi=2 { CD:29.202 } atom: 278 34L-HB2 B 1.995 ambi=2 { CB:41.622 } :: atom: 567 64K-HD3 D 1.524 ambi=2 { CD:29.202 } atom: 278 34L-HB2 B 1.995 ambi=2 { CB:41.622 } ::sumAvg: 4.265 atom: 278 34L-HB2 B 1.995 ambi=2 { CB:41.622 } atom: 569 64K-QE E 2.742 ambi=2 { CE:41.78 } :: atom: 279 34L-HB3 B 1.421 ambi=2 { CB:41.622 } atom: 569 64K-QE E 2.742 ambi=2 { CE:41.78 } ::sumAvg: 3.515 atom: 280 34L-HG G 1.515 ambi=1 { CG:27.401 } atom: 290 35I-HA A 4.358 ambi=1 { CA:60.307 } ::sumAvg: 4.11 atom: 290 35I-HA A 4.358 ambi=1 { CA:60.307 } atom: 280 34L-HG G 1.515 ambi=1 { CG:27.401 } ::sumAvg: 4.11 atom: 280 34L-HG G 1.515 ambi=1 { CG:27.401 } atom: 303 36S-HA A 4.56 ambi=1 { CA:57.608 } ::sumAvg: 4.055 atom: 303 36S-HA A 4.56 ambi=1 { CA:57.608 } atom: 280 34L-HG G 1.515 ambi=1 { CG:27.401 } ::sumAvg: 4.055 atom: 280 34L-HG G 1.515 ambi=1 { CG:27.401 } atom: 309 37E-H N 8.317 ambi=1 { N:125.042 } ::sumAvg: 4.82 atom: 281 34L-HD1 D1 1.216 ambi=2 { CD1:25.002 } atom: 290 35I-HA A 4.358 ambi=1 { CA:60.307 } :: atom: 282 34L-HD2 D2 1.06 ambi=2 { CD2:26.575 } atom: 290 35I-HA A 4.358 ambi=1 { CA:60.307 } ::sumAvg: 4.54 atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } atom: 281 34L-HD1 D1 1.216 ambi=2 { CD1:25.002 } :: atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } atom: 282 34L-HD2 D2 1.06 ambi=2 { CD2:26.575 } ::sumAvg: 3.525 atom: 281 34L-HD1 D1 1.216 ambi=2 { CD1:25.002 } atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } :: atom: 282 34L-HD2 D2 1.06 ambi=2 { CD2:26.575 } atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } ::sumAvg: 4.72 atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } atom: 281 34L-HD1 D1 1.216 ambi=2 { CD1:25.002 } :: atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } atom: 282 34L-HD2 D2 1.06 ambi=2 { CD2:26.575 } ::sumAvg: 4.72 atom: 281 34L-HD1 D1 1.216 ambi=2 { CD1:25.002 } atom: 404 48M-H N 9.23 ambi=1 { N:125.432 } :: atom: 282 34L-HD2 D2 1.06 ambi=2 { CD2:26.575 } atom: 404 48M-H N 9.23 ambi=1 { N:125.432 } ::sumAvg: 4.68 atom: 303 36S-HA A 4.56 ambi=1 { CA:57.608 } atom: 289 35I-H N 8.979 ambi=1 { N:126.944 } ::sumAvg: 4.88 atom: 406 48M-HB2 B 1.793 ambi=2 { CB:35.417 } atom: 289 35I-H N 8.979 ambi=1 { N:126.944 } :: atom: 407 48M-HB3 B 1.751 ambi=2 { CB:35.417 } atom: 289 35I-H N 8.979 ambi=1 { N:126.944 } ::sumAvg: 4.875 atom: 290 35I-HA A 4.358 ambi=1 { CA:60.307 } atom: 304 36S-HB2 B 3.753 ambi=2 { CB:64.536 } :: atom: 290 35I-HA A 4.358 ambi=1 { CA:60.307 } atom: 305 36S-HB3 B 3.571 ambi=2 { CB:64.536 } ::sumAvg: 4.905 atom: 304 36S-HB2 B 3.753 ambi=2 { CB:64.536 } atom: 290 35I-HA A 4.358 ambi=1 { CA:60.307 } :: atom: 305 36S-HB3 B 3.571 ambi=2 { CB:64.536 } atom: 290 35I-HA A 4.358 ambi=1 { CA:60.307 } ::sumAvg: 4.905 atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } atom: 290 35I-HA A 4.358 ambi=1 { CA:60.307 } :: atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } atom: 290 35I-HA A 4.358 ambi=1 { CA:60.307 } ::sumAvg: 4.725 atom: 291 35I-HB B 1.873 ambi=1 { CB:37.614 } atom: 303 36S-HA A 4.56 ambi=1 { CA:57.608 } ::sumAvg: 4.835 atom: 303 36S-HA A 4.56 ambi=1 { CA:57.608 } atom: 291 35I-HB B 1.873 ambi=1 { CB:37.614 } ::sumAvg: 4.835 atom: 291 35I-HB B 1.873 ambi=1 { CB:37.614 } atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } ::sumAvg: 4.465 atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } atom: 291 35I-HB B 1.873 ambi=1 { CB:37.614 } ::sumAvg: 4.465 atom: 291 35I-HB B 1.873 ambi=1 { CB:37.614 } atom: 404 48M-H N 9.23 ambi=1 { N:125.432 } ::sumAvg: 4.42 atom: 405 48M-HA A 5.61 ambi=1 { CA:52.17 } atom: 291 35I-HB B 1.873 ambi=1 { CB:37.614 } ::sumAvg: 3.735 atom: 291 35I-HB B 1.873 ambi=1 { CB:37.614 } atom: 416 49E-H N 9.43 ambi=1 { N:121.511 } ::sumAvg: 4.8 atom: 291 35I-HB B 1.873 ambi=1 { CB:37.614 } atom: 518 58Q-HG2 G 2.387 ambi=2 { CG:33.72 } :: atom: 291 35I-HB B 1.873 ambi=1 { CB:37.614 } atom: 519 58Q-HG3 G 2.274 ambi=2 { CG:33.72 } ::sumAvg: 4.775 atom: 292 35I-HG12 G1 1.142 ambi=2 { CG1:26.818 } atom: 404 48M-H N 9.23 ambi=1 { N:125.432 } :: atom: 293 35I-HG13 G1 1.229 ambi=2 { CG1:26.818 } atom: 404 48M-H N 9.23 ambi=1 { N:125.432 } ::sumAvg: 4.71 atom: 292 35I-HG12 G1 1.142 ambi=2 { CG1:26.818 } atom: 406 48M-HB2 B 1.793 ambi=2 { CB:35.417 } :: atom: 292 35I-HG12 G1 1.142 ambi=2 { CG1:26.818 } atom: 407 48M-HB3 B 1.751 ambi=2 { CB:35.417 } :: atom: 293 35I-HG13 G1 1.229 ambi=2 { CG1:26.818 } atom: 406 48M-HB2 B 1.793 ambi=2 { CB:35.417 } :: atom: 293 35I-HG13 G1 1.229 ambi=2 { CG1:26.818 } atom: 407 48M-HB3 B 1.751 ambi=2 { CB:35.417 } ::sumAvg: 4.935 atom: 292 35I-HG12 G1 1.142 ambi=2 { CG1:26.818 } atom: 417 49E-HA A 5.671 ambi=1 { CA:54.091 } :: atom: 293 35I-HG13 G1 1.229 ambi=2 { CG1:26.818 } atom: 417 49E-HA A 5.671 ambi=1 { CA:54.091 } ::sumAvg: 4.165 atom: 417 49E-HA A 5.671 ambi=1 { CA:54.091 } atom: 292 35I-HG12 G1 1.142 ambi=2 { CG1:26.818 } :: atom: 417 49E-HA A 5.671 ambi=1 { CA:54.091 } atom: 293 35I-HG13 G1 1.229 ambi=2 { CG1:26.818 } ::sumAvg: 4.165 atom: 292 35I-HG12 G1 1.142 ambi=2 { CG1:26.818 } atom: 515 58Q-HA A 5.808 ambi=1 { CA:53.896 } :: atom: 293 35I-HG13 G1 1.229 ambi=2 { CG1:26.818 } atom: 515 58Q-HA A 5.808 ambi=1 { CA:53.896 } ::sumAvg: 4.675 atom: 515 58Q-HA A 5.808 ambi=1 { CA:53.896 } atom: 292 35I-HG12 G1 1.142 ambi=2 { CG1:26.818 } :: atom: 515 58Q-HA A 5.808 ambi=1 { CA:53.896 } atom: 293 35I-HG13 G1 1.229 ambi=2 { CG1:26.818 } ::sumAvg: 4.675 atom: 294 35I-HG2 G2 0.823 ambi=1 { CG2:17.071 } atom: 303 36S-HA A 4.56 ambi=1 { CA:57.608 } ::sumAvg: 3.935 atom: 294 35I-HG2 G2 0.823 ambi=1 { CG2:17.071 } atom: 396 47V-HB B 1.931 ambi=1 { CB:33.479 } ::sumAvg: 3.26 atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } atom: 302 36S-H N 7.562 ambi=1 { N:112.175 } ::sumAvg: 4.835 atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } atom: 302 36S-H N 7.562 ambi=1 { N:112.175 } ::sumAvg: 4.77 atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } atom: 302 36S-H N 7.562 ambi=1 { N:112.175 } ::sumAvg: 4.62 atom: 303 36S-HA A 4.56 ambi=1 { CA:57.608 } atom: 311 37E-HB2 B 1.815 ambi=2 { CB:31.82 } :: atom: 303 36S-HA A 4.56 ambi=1 { CA:57.608 } atom: 312 37E-HB3 B 1.861 ambi=2 { CB:31.82 } ::sumAvg: 4.47 atom: 311 37E-HB2 B 1.815 ambi=2 { CB:31.82 } atom: 303 36S-HA A 4.56 ambi=1 { CA:57.608 } :: atom: 312 37E-HB3 B 1.861 ambi=2 { CB:31.82 } atom: 303 36S-HA A 4.56 ambi=1 { CA:57.608 } ::sumAvg: 4.47 atom: 303 36S-HA A 4.56 ambi=1 { CA:57.608 } atom: 394 47V-H N 8.625 ambi=1 { N:119.944 } ::sumAvg: 4.7 atom: 303 36S-HA A 4.56 ambi=1 { CA:57.608 } atom: 396 47V-HB B 1.931 ambi=1 { CB:33.479 } ::sumAvg: 4.345 atom: 396 47V-HB B 1.931 ambi=1 { CB:33.479 } atom: 303 36S-HA A 4.56 ambi=1 { CA:57.608 } ::sumAvg: 4.345 atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } atom: 303 36S-HA A 4.56 ambi=1 { CA:57.608 } :: atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } atom: 303 36S-HA A 4.56 ambi=1 { CA:57.608 } ::sumAvg: 4.925 atom: 304 36S-HB2 B 3.753 ambi=2 { CB:64.536 } atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } :: atom: 305 36S-HB3 B 3.571 ambi=2 { CB:64.536 } atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } ::sumAvg: 4.67 atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } atom: 304 36S-HB2 B 3.753 ambi=2 { CB:64.536 } :: atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } atom: 305 36S-HB3 B 3.571 ambi=2 { CB:64.536 } ::sumAvg: 4.67 atom: 304 36S-HB2 B 3.753 ambi=2 { CB:64.536 } atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } :: atom: 305 36S-HB3 B 3.571 ambi=2 { CB:64.536 } atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } ::sumAvg: 4.64 atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } atom: 304 36S-HB2 B 3.753 ambi=2 { CB:64.536 } :: atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } atom: 305 36S-HB3 B 3.571 ambi=2 { CB:64.536 } ::sumAvg: 4.64 atom: 304 36S-HB2 B 3.753 ambi=2 { CB:64.536 } atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } :: atom: 305 36S-HB3 B 3.571 ambi=2 { CB:64.536 } atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } ::sumAvg: 4.81 atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } atom: 304 36S-HB2 B 3.753 ambi=2 { CB:64.536 } :: atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } atom: 305 36S-HB3 B 3.571 ambi=2 { CB:64.536 } ::sumAvg: 4.81 atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } atom: 309 37E-H N 8.317 ambi=1 { N:125.042 } ::sumAvg: 2.935 atom: 320 38T-HA A 4.614 ambi=1 { CA:59.865 } atom: 309 37E-H N 8.317 ambi=1 { N:125.042 } ::sumAvg: 4.975 atom: 322 38T-HG2 G2 1.079 ambi=1 { CG2:21.237 } atom: 309 37E-H N 8.317 ambi=1 { N:125.042 } ::sumAvg: 4.69 atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } atom: 309 37E-H N 8.317 ambi=1 { N:125.042 } ::sumAvg: 4.98 atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } atom: 322 38T-HG2 G2 1.079 ambi=1 { CG2:21.237 } ::sumAvg: 4.545 atom: 322 38T-HG2 G2 1.079 ambi=1 { CG2:21.237 } atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } ::sumAvg: 4.545 atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } atom: 380 46F-HB2 B 2.587 ambi=2 { CB:41.46 } :: atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } atom: 381 46F-HB3 B 2.55 ambi=2 { CB:41.46 } ::sumAvg: 4.295 atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } ::sumAvg: 3.125 atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } ::sumAvg: 3.125 atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } atom: 384 46F-QE E 7.342 ambi=3 { CE1:131.199 CE2:131.076 } ::sumAvg: 3.97 atom: 384 46F-QE E 7.342 ambi=3 { CE1:131.199 CE2:131.076 } atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } ::sumAvg: 3.97 atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } atom: 394 47V-H N 8.625 ambi=1 { N:119.944 } ::sumAvg: 3.665 atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } :: atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } ::sumAvg: 4.825 atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } :: atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } ::sumAvg: 4.825 atom: 311 37E-HB2 B 1.815 ambi=2 { CB:31.82 } atom: 320 38T-HA A 4.614 ambi=1 { CA:59.865 } :: atom: 312 37E-HB3 B 1.861 ambi=2 { CB:31.82 } atom: 320 38T-HA A 4.614 ambi=1 { CA:59.865 } ::sumAvg: 4.525 atom: 320 38T-HA A 4.614 ambi=1 { CA:59.865 } atom: 311 37E-HB2 B 1.815 ambi=2 { CB:31.82 } :: atom: 320 38T-HA A 4.614 ambi=1 { CA:59.865 } atom: 312 37E-HB3 B 1.861 ambi=2 { CB:31.82 } ::sumAvg: 4.525 atom: 311 37E-HB2 B 1.815 ambi=2 { CB:31.82 } atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } :: atom: 312 37E-HB3 B 1.861 ambi=2 { CB:31.82 } atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } ::sumAvg: 4.49 atom: 386 46F-HZ Z 7.319 ambi=1 { CZ:129.898 } atom: 311 37E-HB2 B 1.815 ambi=2 { CB:31.82 } :: atom: 386 46F-HZ Z 7.319 ambi=1 { CZ:129.898 } atom: 312 37E-HB3 B 1.861 ambi=2 { CB:31.82 } ::sumAvg: 4.895 atom: 313 37E-HG2 G 1.502 ambi=2 { CG:35.453 } atom: 320 38T-HA A 4.614 ambi=1 { CA:59.865 } :: atom: 314 37E-HG3 G 1.787 ambi=2 { CG:35.453 } atom: 320 38T-HA A 4.614 ambi=1 { CA:59.865 } ::sumAvg: 4.815 atom: 320 38T-HA A 4.614 ambi=1 { CA:59.865 } atom: 313 37E-HG2 G 1.502 ambi=2 { CG:35.453 } :: atom: 320 38T-HA A 4.614 ambi=1 { CA:59.865 } atom: 314 37E-HG3 G 1.787 ambi=2 { CG:35.453 } ::sumAvg: 4.815 atom: 313 37E-HG2 G 1.502 ambi=2 { CG:35.453 } atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } :: atom: 314 37E-HG3 G 1.787 ambi=2 { CG:35.453 } atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } ::sumAvg: 4.985 atom: 313 37E-HG2 G 1.502 ambi=2 { CG:35.453 } atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } :: atom: 314 37E-HG3 G 1.787 ambi=2 { CG:35.453 } atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } ::sumAvg: 3.77 atom: 328 39G-HA2 A 3.718 ambi=2 { CA:44.133 } atom: 319 38T-H N 8.48 ambi=1 { N:116.676 } :: atom: 329 39G-HA3 A 4.271 ambi=2 { CA:44.133 } atom: 319 38T-H N 8.48 ambi=1 { N:116.676 } ::sumAvg: 4.96 atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } atom: 319 38T-H N 8.48 ambi=1 { N:116.676 } ::sumAvg: 4.24 atom: 384 46F-QE E 7.342 ambi=3 { CE1:131.199 CE2:131.076 } atom: 319 38T-H N 8.48 ambi=1 { N:116.676 } ::sumAvg: 4.445 atom: 328 39G-HA2 A 3.718 ambi=2 { CA:44.133 } atom: 320 38T-HA A 4.614 ambi=1 { CA:59.865 } ::sumAvg: 4.37 atom: 368 45R-HB2 B 1.509 ambi=2 { CB:32.593 } atom: 321 38T-HB B 4.188 ambi=1 { CB:71.532 } :: atom: 369 45R-HB3 B 1.453 ambi=2 { CB:32.593 } atom: 321 38T-HB B 4.188 ambi=1 { CB:71.532 } ::sumAvg: 3.815 atom: 322 38T-HG2 G2 1.079 ambi=1 { CG2:21.237 } atom: 328 39G-HA2 A 3.718 ambi=2 { CA:44.133 } :: atom: 322 38T-HG2 G2 1.079 ambi=1 { CG2:21.237 } atom: 329 39G-HA3 A 4.271 ambi=2 { CA:44.133 } ::sumAvg: 4.325 atom: 328 39G-HA2 A 3.718 ambi=2 { CA:44.133 } atom: 322 38T-HG2 G2 1.079 ambi=1 { CG2:21.237 } :: atom: 329 39G-HA3 A 4.271 ambi=2 { CA:44.133 } atom: 322 38T-HG2 G2 1.079 ambi=1 { CG2:21.237 } ::sumAvg: 4.325 atom: 352 44K-HA A 4.337 ambi=1 { CA:55.119 } atom: 322 38T-HG2 G2 1.079 ambi=1 { CG2:21.237 } ::sumAvg: 4.96 atom: 368 45R-HB2 B 1.509 ambi=2 { CB:32.593 } atom: 322 38T-HG2 G2 1.079 ambi=1 { CG2:21.237 } ::sumAvg: 3.04 atom: 372 45R-QD D 2.954 ambi=2 { CD:43.1 } atom: 322 38T-HG2 G2 1.079 ambi=1 { CG2:21.237 } ::sumAvg: 3.895 atom: 322 38T-HG2 G2 1.079 ambi=1 { CG2:21.237 } atom: 374 45R-HE E 7.05 ambi=1 { NE:84.677 } ::sumAvg: 4.85 atom: 357 44K-HD2 D 1.42 ambi=2 { CD:27.576 } atom: 327 39G-H N 8.375 ambi=1 { N:107.816 } :: atom: 358 44K-HD3 D 1.29 ambi=2 { CD:27.576 } atom: 327 39G-H N 8.375 ambi=1 { N:107.816 } ::sumAvg: 4.635 atom: 328 39G-HA2 A 3.718 ambi=2 { CA:44.133 } atom: 353 44K-HB2 B 1.814 ambi=2 { CB:32.298 } :: atom: 328 39G-HA2 A 3.718 ambi=2 { CA:44.133 } atom: 354 44K-HB3 B 1.541 ambi=2 { CB:32.298 } :: atom: 329 39G-HA3 A 4.271 ambi=2 { CA:44.133 } atom: 353 44K-HB2 B 1.814 ambi=2 { CB:32.298 } :: atom: 329 39G-HA3 A 4.271 ambi=2 { CA:44.133 } atom: 354 44K-HB3 B 1.541 ambi=2 { CB:32.298 } ::sumAvg: 4.57 atom: 353 44K-HB2 B 1.814 ambi=2 { CB:32.298 } atom: 328 39G-HA2 A 3.718 ambi=2 { CA:44.133 } :: atom: 354 44K-HB3 B 1.541 ambi=2 { CB:32.298 } atom: 328 39G-HA2 A 3.718 ambi=2 { CA:44.133 } :: atom: 353 44K-HB2 B 1.814 ambi=2 { CB:32.298 } atom: 329 39G-HA3 A 4.271 ambi=2 { CA:44.133 } :: atom: 354 44K-HB3 B 1.541 ambi=2 { CB:32.298 } atom: 329 39G-HA3 A 4.271 ambi=2 { CA:44.133 } ::sumAvg: 4.57 atom: 328 39G-HA2 A 3.718 ambi=2 { CA:44.133 } atom: 355 44K-HG2 G 1.369 ambi=2 { CG:23.897 } :: atom: 328 39G-HA2 A 3.718 ambi=2 { CA:44.133 } atom: 356 44K-HG3 G 1.177 ambi=2 { CG:23.897 } :: atom: 329 39G-HA3 A 4.271 ambi=2 { CA:44.133 } atom: 355 44K-HG2 G 1.369 ambi=2 { CG:23.897 } :: atom: 329 39G-HA3 A 4.271 ambi=2 { CA:44.133 } atom: 356 44K-HG3 G 1.177 ambi=2 { CG:23.897 } ::sumAvg: 4.145 atom: 355 44K-HG2 G 1.369 ambi=2 { CG:23.897 } atom: 328 39G-HA2 A 3.718 ambi=2 { CA:44.133 } :: atom: 356 44K-HG3 G 1.177 ambi=2 { CG:23.897 } atom: 328 39G-HA2 A 3.718 ambi=2 { CA:44.133 } :: atom: 355 44K-HG2 G 1.369 ambi=2 { CG:23.897 } atom: 329 39G-HA3 A 4.271 ambi=2 { CA:44.133 } :: atom: 356 44K-HG3 G 1.177 ambi=2 { CG:23.897 } atom: 329 39G-HA3 A 4.271 ambi=2 { CA:44.133 } ::sumAvg: 4.145 atom: 328 39G-HA2 A 3.718 ambi=2 { CA:44.133 } atom: 357 44K-HD2 D 1.42 ambi=2 { CD:27.576 } :: atom: 328 39G-HA2 A 3.718 ambi=2 { CA:44.133 } atom: 358 44K-HD3 D 1.29 ambi=2 { CD:27.576 } :: atom: 329 39G-HA3 A 4.271 ambi=2 { CA:44.133 } atom: 357 44K-HD2 D 1.42 ambi=2 { CD:27.576 } :: atom: 329 39G-HA3 A 4.271 ambi=2 { CA:44.133 } atom: 358 44K-HD3 D 1.29 ambi=2 { CD:27.576 } ::sumAvg: 3.03 atom: 328 39G-HA2 A 3.718 ambi=2 { CA:44.133 } atom: 359 44K-HE2 E 2.644 ambi=2 { CE:41.78 } :: atom: 328 39G-HA2 A 3.718 ambi=2 { CA:44.133 } atom: 360 44K-HE3 E 2.712 ambi=2 { CE:41.78 } :: atom: 329 39G-HA3 A 4.271 ambi=2 { CA:44.133 } atom: 359 44K-HE2 E 2.644 ambi=2 { CE:41.78 } :: atom: 329 39G-HA3 A 4.271 ambi=2 { CA:44.133 } atom: 360 44K-HE3 E 2.712 ambi=2 { CE:41.78 } ::sumAvg: 4.115 atom: 359 44K-HE2 E 2.644 ambi=2 { CE:41.78 } atom: 328 39G-HA2 A 3.718 ambi=2 { CA:44.133 } :: atom: 360 44K-HE3 E 2.712 ambi=2 { CE:41.78 } atom: 328 39G-HA2 A 3.718 ambi=2 { CA:44.133 } :: atom: 359 44K-HE2 E 2.644 ambi=2 { CE:41.78 } atom: 329 39G-HA3 A 4.271 ambi=2 { CA:44.133 } :: atom: 360 44K-HE3 E 2.712 ambi=2 { CE:41.78 } atom: 329 39G-HA3 A 4.271 ambi=2 { CA:44.133 } ::sumAvg: 4.115 atom: 357 44K-HD2 D 1.42 ambi=2 { CD:27.576 } atom: 332 40G-H N 8.375 ambi=1 { N:108.249 } :: atom: 358 44K-HD3 D 1.29 ambi=2 { CD:27.576 } atom: 332 40G-H N 8.375 ambi=1 { N:108.249 } ::sumAvg: 4.095 atom: 359 44K-HE2 E 2.644 ambi=2 { CE:41.78 } atom: 332 40G-H N 8.375 ambi=1 { N:108.249 } :: atom: 360 44K-HE3 E 2.712 ambi=2 { CE:41.78 } atom: 332 40G-H N 8.375 ambi=1 { N:108.249 } ::sumAvg: 4.975 atom: 337 42H-HA A 4.634 ambi=1 { CA:56.519 } atom: 346 43D-HB2 B 2.579 ambi=2 { CB:39.918 } :: atom: 337 42H-HA A 4.634 ambi=1 { CA:56.519 } atom: 347 43D-HB3 B 2.437 ambi=2 { CB:39.918 } ::sumAvg: 4.84 atom: 338 42H-HB2 B 3.107 ambi=2 { CB:29.883 } atom: 346 43D-HB2 B 2.579 ambi=2 { CB:39.918 } :: atom: 338 42H-HB2 B 3.107 ambi=2 { CB:29.883 } atom: 347 43D-HB3 B 2.437 ambi=2 { CB:39.918 } :: atom: 339 42H-HB3 B 3.202 ambi=2 { CB:29.883 } atom: 346 43D-HB2 B 2.579 ambi=2 { CB:39.918 } :: atom: 339 42H-HB3 B 3.202 ambi=2 { CB:29.883 } atom: 347 43D-HB3 B 2.437 ambi=2 { CB:39.918 } ::sumAvg: 4.83 atom: 346 43D-HB2 B 2.579 ambi=2 { CB:39.918 } atom: 338 42H-HB2 B 3.107 ambi=2 { CB:29.883 } :: atom: 347 43D-HB3 B 2.437 ambi=2 { CB:39.918 } atom: 338 42H-HB2 B 3.107 ambi=2 { CB:29.883 } :: atom: 346 43D-HB2 B 2.579 ambi=2 { CB:39.918 } atom: 339 42H-HB3 B 3.202 ambi=2 { CB:29.883 } :: atom: 347 43D-HB3 B 2.437 ambi=2 { CB:39.918 } atom: 339 42H-HB3 B 3.202 ambi=2 { CB:29.883 } ::sumAvg: 4.83 atom: 340 42H-HD2 D2 7.093 ambi=1 { CD2:119.565 } atom: 344 43D-H N 7.986 ambi=1 { N:120.127 } ::sumAvg: 4.58 atom: 345 43D-HA A 4.607 ambi=1 { CA:53.075 } atom: 355 44K-HG2 G 1.369 ambi=2 { CG:23.897 } :: atom: 345 43D-HA A 4.607 ambi=1 { CA:53.075 } atom: 356 44K-HG3 G 1.177 ambi=2 { CG:23.897 } ::sumAvg: 4.93 atom: 355 44K-HG2 G 1.369 ambi=2 { CG:23.897 } atom: 345 43D-HA A 4.607 ambi=1 { CA:53.075 } :: atom: 356 44K-HG3 G 1.177 ambi=2 { CG:23.897 } atom: 345 43D-HA A 4.607 ambi=1 { CA:53.075 } ::sumAvg: 4.93 atom: 346 43D-HB2 B 2.579 ambi=2 { CB:39.918 } atom: 352 44K-HA A 4.337 ambi=1 { CA:55.119 } :: atom: 347 43D-HB3 B 2.437 ambi=2 { CB:39.918 } atom: 352 44K-HA A 4.337 ambi=1 { CA:55.119 } ::sumAvg: 4.725 atom: 352 44K-HA A 4.337 ambi=1 { CA:55.119 } atom: 346 43D-HB2 B 2.579 ambi=2 { CB:39.918 } :: atom: 352 44K-HA A 4.337 ambi=1 { CA:55.119 } atom: 347 43D-HB3 B 2.437 ambi=2 { CB:39.918 } ::sumAvg: 4.725 atom: 352 44K-HA A 4.337 ambi=1 { CA:55.119 } atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } ::sumAvg: 4.95 atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } atom: 352 44K-HA A 4.337 ambi=1 { CA:55.119 } ::sumAvg: 4.95 atom: 352 44K-HA A 4.337 ambi=1 { CA:55.119 } atom: 384 46F-QE E 7.342 ambi=3 { CE1:131.199 CE2:131.076 } ::sumAvg: 4.275 atom: 384 46F-QE E 7.342 ambi=3 { CE1:131.199 CE2:131.076 } atom: 352 44K-HA A 4.337 ambi=1 { CA:55.119 } ::sumAvg: 4.275 atom: 544 62S-HA A 4.712 ambi=1 { CA:59.423 } atom: 353 44K-HB2 B 1.814 ambi=2 { CB:32.298 } :: atom: 544 62S-HA A 4.712 ambi=1 { CA:59.423 } atom: 354 44K-HB3 B 1.541 ambi=2 { CB:32.298 } ::sumAvg: 3.835 atom: 551 63N-HA A 4.624 ambi=1 { CA:51.744 } atom: 353 44K-HB2 B 1.814 ambi=2 { CB:32.298 } :: atom: 551 63N-HA A 4.624 ambi=1 { CA:51.744 } atom: 354 44K-HB3 B 1.541 ambi=2 { CB:32.298 } ::sumAvg: 4.295 atom: 552 63N-HB2 B 2.914 ambi=2 { CB:40.651 } atom: 353 44K-HB2 B 1.814 ambi=2 { CB:32.298 } :: atom: 553 63N-HB3 B 2.862 ambi=2 { CB:40.651 } atom: 353 44K-HB2 B 1.814 ambi=2 { CB:32.298 } :: atom: 552 63N-HB2 B 2.914 ambi=2 { CB:40.651 } atom: 354 44K-HB3 B 1.541 ambi=2 { CB:32.298 } :: atom: 553 63N-HB3 B 2.862 ambi=2 { CB:40.651 } atom: 354 44K-HB3 B 1.541 ambi=2 { CB:32.298 } ::sumAvg: 4.625 atom: 355 44K-HG2 G 1.369 ambi=2 { CG:23.897 } atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } :: atom: 356 44K-HG3 G 1.177 ambi=2 { CG:23.897 } atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } ::sumAvg: 4.765 atom: 384 46F-QE E 7.342 ambi=3 { CE1:131.199 CE2:131.076 } atom: 357 44K-HD2 D 1.42 ambi=2 { CD:27.576 } :: atom: 384 46F-QE E 7.342 ambi=3 { CE1:131.199 CE2:131.076 } atom: 358 44K-HD3 D 1.29 ambi=2 { CD:27.576 } ::sumAvg: 3.35 atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } atom: 367 45R-HA A 4.354 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.44 atom: 380 46F-HB2 B 2.587 ambi=2 { CB:41.46 } atom: 367 45R-HA A 4.354 ambi=1 {attached_atom is not_assigned} :: atom: 381 46F-HB3 B 2.55 ambi=2 { CB:41.46 } atom: 367 45R-HA A 4.354 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.635 atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } atom: 367 45R-HA A 4.354 ambi=1 {attached_atom is not_assigned} ::sumAvg: 3.715 atom: 368 45R-HB2 B 1.509 ambi=2 { CB:32.593 } atom: 374 45R-HE E 7.05 ambi=1 { NE:84.677 } :: atom: 369 45R-HB3 B 1.453 ambi=2 { CB:32.593 } atom: 374 45R-HE E 7.05 ambi=1 { NE:84.677 } ::sumAvg: 3.65 atom: 368 45R-HB2 B 1.509 ambi=2 { CB:32.593 } atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } :: atom: 369 45R-HB3 B 1.453 ambi=2 { CB:32.593 } atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } ::sumAvg: 4.89 atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } atom: 368 45R-HB2 B 1.509 ambi=2 { CB:32.593 } :: atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } atom: 369 45R-HB3 B 1.453 ambi=2 { CB:32.593 } ::sumAvg: 4.89 atom: 368 45R-HB2 B 1.509 ambi=2 { CB:32.593 } atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } :: atom: 368 45R-HB2 B 1.509 ambi=2 { CB:32.593 } atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } :: atom: 369 45R-HB3 B 1.453 ambi=2 { CB:32.593 } atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } :: atom: 369 45R-HB3 B 1.453 ambi=2 { CB:32.593 } atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } ::sumAvg: 4.715 atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } atom: 368 45R-HB2 B 1.509 ambi=2 { CB:32.593 } :: atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } atom: 368 45R-HB2 B 1.509 ambi=2 { CB:32.593 } :: atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } atom: 369 45R-HB3 B 1.453 ambi=2 { CB:32.593 } :: atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } atom: 369 45R-HB3 B 1.453 ambi=2 { CB:32.593 } ::sumAvg: 4.715 atom: 544 62S-HA A 4.712 ambi=1 { CA:59.423 } atom: 368 45R-HB2 B 1.509 ambi=2 { CB:32.593 } :: atom: 544 62S-HA A 4.712 ambi=1 { CA:59.423 } atom: 369 45R-HB3 B 1.453 ambi=2 { CB:32.593 } ::sumAvg: 4.81 atom: 370 45R-HG2 G 1.172 ambi=2 { CG:27.31 } atom: 374 45R-HE E 7.05 ambi=1 { NE:84.677 } :: atom: 371 45R-HG3 G 1.317 ambi=2 { CG:27.31 } atom: 374 45R-HE E 7.05 ambi=1 { NE:84.677 } ::sumAvg: 2.8 atom: 370 45R-HG2 G 1.172 ambi=2 { CG:27.31 } atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } :: atom: 371 45R-HG3 G 1.317 ambi=2 { CG:27.31 } atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } ::sumAvg: 4.14 atom: 370 45R-HG2 G 1.172 ambi=2 { CG:27.31 } atom: 394 47V-H N 8.625 ambi=1 { N:119.944 } :: atom: 371 45R-HG3 G 1.317 ambi=2 { CG:27.31 } atom: 394 47V-H N 8.625 ambi=1 { N:119.944 } ::sumAvg: 4.935 atom: 370 45R-HG2 G 1.172 ambi=2 { CG:27.31 } atom: 544 62S-HA A 4.712 ambi=1 { CA:59.423 } :: atom: 371 45R-HG3 G 1.317 ambi=2 { CG:27.31 } atom: 544 62S-HA A 4.712 ambi=1 { CA:59.423 } ::sumAvg: 4.815 atom: 544 62S-HA A 4.712 ambi=1 { CA:59.423 } atom: 370 45R-HG2 G 1.172 ambi=2 { CG:27.31 } :: atom: 544 62S-HA A 4.712 ambi=1 { CA:59.423 } atom: 371 45R-HG3 G 1.317 ambi=2 { CG:27.31 } ::sumAvg: 4.815 atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } atom: 374 45R-HE E 7.05 ambi=1 { NE:84.677 } :: atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } atom: 374 45R-HE E 7.05 ambi=1 { NE:84.677 } ::sumAvg: 3.565 atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } atom: 384 46F-QE E 7.342 ambi=3 { CE1:131.199 CE2:131.076 } ::sumAvg: 4.655 atom: 384 46F-QE E 7.342 ambi=3 { CE1:131.199 CE2:131.076 } atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } ::sumAvg: 4.655 atom: 396 47V-HB B 1.931 ambi=1 { CB:33.479 } atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } ::sumAvg: 4.655 atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } :: atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } ::sumAvg: 3.575 atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } ::sumAvg: 4.455 atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } ::sumAvg: 4.455 atom: 380 46F-HB2 B 2.587 ambi=2 { CB:41.46 } atom: 384 46F-QE E 7.342 ambi=3 { CE1:131.199 CE2:131.076 } :: atom: 381 46F-HB3 B 2.55 ambi=2 { CB:41.46 } atom: 384 46F-QE E 7.342 ambi=3 { CE1:131.199 CE2:131.076 } ::sumAvg: 4.375 atom: 380 46F-HB2 B 2.587 ambi=2 { CB:41.46 } atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } :: atom: 381 46F-HB3 B 2.55 ambi=2 { CB:41.46 } atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } ::sumAvg: 4.47 atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } atom: 380 46F-HB2 B 2.587 ambi=2 { CB:41.46 } :: atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } atom: 381 46F-HB3 B 2.55 ambi=2 { CB:41.46 } ::sumAvg: 4.47 atom: 380 46F-HB2 B 2.587 ambi=2 { CB:41.46 } atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } :: atom: 380 46F-HB2 B 2.587 ambi=2 { CB:41.46 } atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } :: atom: 381 46F-HB3 B 2.55 ambi=2 { CB:41.46 } atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } :: atom: 381 46F-HB3 B 2.55 ambi=2 { CB:41.46 } atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } ::sumAvg: 4.96 atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } atom: 380 46F-HB2 B 2.587 ambi=2 { CB:41.46 } :: atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } atom: 380 46F-HB2 B 2.587 ambi=2 { CB:41.46 } :: atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } atom: 381 46F-HB3 B 2.55 ambi=2 { CB:41.46 } :: atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } atom: 381 46F-HB3 B 2.55 ambi=2 { CB:41.46 } ::sumAvg: 4.96 atom: 380 46F-HB2 B 2.587 ambi=2 { CB:41.46 } atom: 550 63N-H N 7.522 ambi=1 { N:112.606 } :: atom: 381 46F-HB3 B 2.55 ambi=2 { CB:41.46 } atom: 550 63N-H N 7.522 ambi=1 { N:112.606 } ::sumAvg: 4.115 atom: 380 46F-HB2 B 2.587 ambi=2 { CB:41.46 } atom: 551 63N-HA A 4.624 ambi=1 { CA:51.744 } :: atom: 381 46F-HB3 B 2.55 ambi=2 { CB:41.46 } atom: 551 63N-HA A 4.624 ambi=1 { CA:51.744 } ::sumAvg: 3.335 atom: 551 63N-HA A 4.624 ambi=1 { CA:51.744 } atom: 380 46F-HB2 B 2.587 ambi=2 { CB:41.46 } :: atom: 551 63N-HA A 4.624 ambi=1 { CA:51.744 } atom: 381 46F-HB3 B 2.55 ambi=2 { CB:41.46 } ::sumAvg: 3.335 atom: 380 46F-HB2 B 2.587 ambi=2 { CB:41.46 } atom: 560 64K-H N 8.29 ambi=1 { N:119.851 } :: atom: 381 46F-HB3 B 2.55 ambi=2 { CB:41.46 } atom: 560 64K-H N 8.29 ambi=1 { N:119.851 } ::sumAvg: 3.935 atom: 562 64K-HB2 B 1.361 ambi=2 { CB:32.256 } atom: 380 46F-HB2 B 2.587 ambi=2 { CB:41.46 } :: atom: 563 64K-HB3 B 1.44 ambi=2 { CB:32.256 } atom: 380 46F-HB2 B 2.587 ambi=2 { CB:41.46 } :: atom: 562 64K-HB2 B 1.361 ambi=2 { CB:32.256 } atom: 381 46F-HB3 B 2.55 ambi=2 { CB:41.46 } :: atom: 563 64K-HB3 B 1.44 ambi=2 { CB:32.256 } atom: 381 46F-HB3 B 2.55 ambi=2 { CB:41.46 } ::sumAvg: 4.735 atom: 380 46F-HB2 B 2.587 ambi=2 { CB:41.46 } atom: 602 67A-H N 7.414 ambi=1 { N:121.317 } :: atom: 381 46F-HB3 B 2.55 ambi=2 { CB:41.46 } atom: 602 67A-H N 7.414 ambi=1 { N:121.317 } ::sumAvg: 4.405 atom: 408 48M-HG2 G 2.529 ambi=2 { CG:33.062 } atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } :: atom: 409 48M-HG3 G 2.345 ambi=2 { CG:33.062 } atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } ::sumAvg: 4.96 atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } atom: 544 62S-HA A 4.712 ambi=1 { CA:59.423 } ::sumAvg: 3.975 atom: 544 62S-HA A 4.712 ambi=1 { CA:59.423 } atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } ::sumAvg: 3.975 atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } atom: 550 63N-H N 7.522 ambi=1 { N:112.606 } ::sumAvg: 4.075 atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } atom: 552 63N-HB2 B 2.914 ambi=2 { CB:40.651 } :: atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } atom: 553 63N-HB3 B 2.862 ambi=2 { CB:40.651 } ::sumAvg: 4.31 atom: 552 63N-HB2 B 2.914 ambi=2 { CB:40.651 } atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } :: atom: 553 63N-HB3 B 2.862 ambi=2 { CB:40.651 } atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } ::sumAvg: 4.31 atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } atom: 560 64K-H N 8.29 ambi=1 { N:119.851 } ::sumAvg: 3.76 atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } atom: 561 64K-HA A 3.279 ambi=1 { CA:60.434 } ::sumAvg: 3.72 atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } atom: 562 64K-HB2 B 1.361 ambi=2 { CB:32.256 } :: atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } atom: 563 64K-HB3 B 1.44 ambi=2 { CB:32.256 } ::sumAvg: 4.09 atom: 562 64K-HB2 B 1.361 ambi=2 { CB:32.256 } atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } :: atom: 563 64K-HB3 B 1.44 ambi=2 { CB:32.256 } atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } ::sumAvg: 4.09 atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } atom: 569 64K-QE E 2.742 ambi=2 { CE:41.78 } ::sumAvg: 3.845 atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } ::sumAvg: 4.33 atom: 384 46F-QE E 7.342 ambi=3 { CE1:131.199 CE2:131.076 } atom: 552 63N-HB2 B 2.914 ambi=2 { CB:40.651 } :: atom: 384 46F-QE E 7.342 ambi=3 { CE1:131.199 CE2:131.076 } atom: 553 63N-HB3 B 2.862 ambi=2 { CB:40.651 } ::sumAvg: 4.445 atom: 384 46F-QE E 7.342 ambi=3 { CE1:131.199 CE2:131.076 } atom: 560 64K-H N 8.29 ambi=1 { N:119.851 } ::sumAvg: 4.265 atom: 562 64K-HB2 B 1.361 ambi=2 { CB:32.256 } atom: 384 46F-QE E 7.342 ambi=3 { CE1:131.199 CE2:131.076 } :: atom: 563 64K-HB3 B 1.44 ambi=2 { CB:32.256 } atom: 384 46F-QE E 7.342 ambi=3 { CE1:131.199 CE2:131.076 } ::sumAvg: 4.64 atom: 384 46F-QE E 7.342 ambi=3 { CE1:131.199 CE2:131.076 } atom: 564 64K-HG2 G 0.581 ambi=2 { CG:26.138 } :: atom: 384 46F-QE E 7.342 ambi=3 { CE1:131.199 CE2:131.076 } atom: 565 64K-HG3 G 0.705 ambi=2 { CG:26.138 } ::sumAvg: 3.84 atom: 405 48M-HA A 5.61 ambi=1 { CA:52.17 } atom: 394 47V-H N 8.625 ambi=1 { N:119.944 } ::sumAvg: 4.92 atom: 408 48M-HG2 G 2.529 ambi=2 { CG:33.062 } atom: 394 47V-H N 8.625 ambi=1 { N:119.944 } :: atom: 409 48M-HG3 G 2.345 ambi=2 { CG:33.062 } atom: 394 47V-H N 8.625 ambi=1 { N:119.944 } ::sumAvg: 4.18 atom: 534 60A-HB B 1.309 ambi=1 { CB:23.272 } atom: 394 47V-H N 8.625 ambi=1 { N:119.944 } ::sumAvg: 4.695 atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } atom: 394 47V-H N 8.625 ambi=1 { N:119.944 } ::sumAvg: 4.08 atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } atom: 405 48M-HA A 5.61 ambi=1 { CA:52.17 } ::sumAvg: 4.43 atom: 405 48M-HA A 5.61 ambi=1 { CA:52.17 } atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } ::sumAvg: 4.43 atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } atom: 406 48M-HB2 B 1.793 ambi=2 { CB:35.417 } :: atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } atom: 407 48M-HB3 B 1.751 ambi=2 { CB:35.417 } ::sumAvg: 4.52 atom: 406 48M-HB2 B 1.793 ambi=2 { CB:35.417 } atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } :: atom: 407 48M-HB3 B 1.751 ambi=2 { CB:35.417 } atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } ::sumAvg: 4.52 atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } atom: 527 59G-H N 8.835 ambi=1 { N:107.365 } ::sumAvg: 4.535 atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } atom: 532 60A-H N 8.309 ambi=1 { N:123.517 } ::sumAvg: 4.825 atom: 395 47V-HA A 5.045 ambi=1 { CA:61.279 } atom: 603 67A-HA A 3.8 ambi=1 { CA:55.5 } ::sumAvg: 4.755 atom: 396 47V-HB B 1.931 ambi=1 { CB:33.479 } atom: 405 48M-HA A 5.61 ambi=1 { CA:52.17 } ::sumAvg: 4.86 atom: 396 47V-HB B 1.931 ambi=1 { CB:33.479 } atom: 534 60A-HB B 1.309 ambi=1 { CB:23.272 } ::sumAvg: 4.5 atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } atom: 405 48M-HA A 5.61 ambi=1 { CA:52.17 } :: atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } atom: 405 48M-HA A 5.61 ambi=1 { CA:52.17 } ::sumAvg: 3.73 atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } atom: 406 48M-HB2 B 1.793 ambi=2 { CB:35.417 } :: atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } atom: 407 48M-HB3 B 1.751 ambi=2 { CB:35.417 } :: atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } atom: 406 48M-HB2 B 1.793 ambi=2 { CB:35.417 } :: atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } atom: 407 48M-HB3 B 1.751 ambi=2 { CB:35.417 } ::sumAvg: 4.76 atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } atom: 416 49E-H N 9.43 ambi=1 { N:121.511 } :: atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } atom: 416 49E-H N 9.43 ambi=1 { N:121.511 } ::sumAvg: 4.765 atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } atom: 417 49E-HA A 5.671 ambi=1 { CA:54.091 } :: atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } atom: 417 49E-HA A 5.671 ambi=1 { CA:54.091 } ::sumAvg: 4.805 atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } atom: 520 58Q-HE21 E2 8.214 ambi=2 { NE2:111.234 } :: atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } atom: 521 58Q-HE22 E2 6.558 ambi=2 { NE2:111.234 } :: atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } atom: 520 58Q-HE21 E2 8.214 ambi=2 { NE2:111.234 } :: atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } atom: 521 58Q-HE22 E2 6.558 ambi=2 { NE2:111.234 } ::sumAvg: 4.78 atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } atom: 528 59G-HA2 A 4.059 ambi=2 { CA:44.691 } :: atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } atom: 529 59G-HA3 A 4.447 ambi=2 { CA:44.691 } :: atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } atom: 528 59G-HA2 A 4.059 ambi=2 { CA:44.691 } :: atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } atom: 529 59G-HA3 A 4.447 ambi=2 { CA:44.691 } ::sumAvg: 4.205 atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } atom: 532 60A-H N 8.309 ambi=1 { N:123.517 } :: atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } atom: 532 60A-H N 8.309 ambi=1 { N:123.517 } ::sumAvg: 4.625 atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } atom: 538 61G-H N 8.533 ambi=1 { N:103.241 } :: atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } atom: 538 61G-H N 8.533 ambi=1 { N:103.241 } ::sumAvg: 4.52 atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } :: atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } ::sumAvg: 4.11 atom: 417 49E-HA A 5.671 ambi=1 { CA:54.091 } atom: 404 48M-H N 9.23 ambi=1 { N:125.432 } ::sumAvg: 4.965 atom: 516 58Q-HB2 B 1.961 ambi=2 { CB:31.624 } atom: 404 48M-H N 9.23 ambi=1 { N:125.432 } :: atom: 517 58Q-HB3 B 1.891 ambi=2 { CB:31.624 } atom: 404 48M-H N 9.23 ambi=1 { N:125.432 } ::sumAvg: 4.81 atom: 528 59G-HA2 A 4.059 ambi=2 { CA:44.691 } atom: 404 48M-H N 9.23 ambi=1 { N:125.432 } :: atom: 529 59G-HA3 A 4.447 ambi=2 { CA:44.691 } atom: 404 48M-H N 9.23 ambi=1 { N:125.432 } ::sumAvg: 4.515 atom: 405 48M-HA A 5.61 ambi=1 { CA:52.17 } atom: 418 49E-HB2 B 1.845 ambi=2 { CB:35.842 } :: atom: 405 48M-HA A 5.61 ambi=1 { CA:52.17 } atom: 419 49E-HB3 B 2.018 ambi=2 { CB:35.842 } ::sumAvg: 4.425 atom: 418 49E-HB2 B 1.845 ambi=2 { CB:35.842 } atom: 405 48M-HA A 5.61 ambi=1 { CA:52.17 } :: atom: 419 49E-HB3 B 2.018 ambi=2 { CB:35.842 } atom: 405 48M-HA A 5.61 ambi=1 { CA:52.17 } ::sumAvg: 4.425 atom: 647 71A-HB B 1.52 ambi=1 { CB:16.945 } atom: 405 48M-HA A 5.61 ambi=1 { CA:52.17 } ::sumAvg: 4.635 atom: 406 48M-HB2 B 1.793 ambi=2 { CB:35.417 } atom: 417 49E-HA A 5.671 ambi=1 { CA:54.091 } :: atom: 407 48M-HB3 B 1.751 ambi=2 { CB:35.417 } atom: 417 49E-HA A 5.671 ambi=1 { CA:54.091 } ::sumAvg: 4.475 atom: 417 49E-HA A 5.671 ambi=1 { CA:54.091 } atom: 406 48M-HB2 B 1.793 ambi=2 { CB:35.417 } :: atom: 417 49E-HA A 5.671 ambi=1 { CA:54.091 } atom: 407 48M-HB3 B 1.751 ambi=2 { CB:35.417 } ::sumAvg: 4.475 atom: 406 48M-HB2 B 1.793 ambi=2 { CB:35.417 } atom: 603 67A-HA A 3.8 ambi=1 { CA:55.5 } :: atom: 407 48M-HB3 B 1.751 ambi=2 { CB:35.417 } atom: 603 67A-HA A 3.8 ambi=1 { CA:55.5 } ::sumAvg: 4.47 atom: 406 48M-HB2 B 1.793 ambi=2 { CB:35.417 } atom: 611 68K-HB3 B 1.292 ambi=2 { CB:32.096 } :: atom: 407 48M-HB3 B 1.751 ambi=2 { CB:35.417 } atom: 611 68K-HB3 B 1.292 ambi=2 { CB:32.096 } ::sumAvg: 4.985 atom: 611 68K-HB3 B 1.292 ambi=2 { CB:32.096 } atom: 406 48M-HB2 B 1.793 ambi=2 { CB:35.417 } :: atom: 611 68K-HB3 B 1.292 ambi=2 { CB:32.096 } atom: 407 48M-HB3 B 1.751 ambi=2 { CB:35.417 } ::sumAvg: 4.985 atom: 614 68K-QD D 1.2255 ambi=2 { CD:28.78 } atom: 406 48M-HB2 B 1.793 ambi=2 { CB:35.417 } :: atom: 614 68K-QD D 1.2255 ambi=2 { CD:28.78 } atom: 407 48M-HB3 B 1.751 ambi=2 { CB:35.417 } ::sumAvg: 4.55 atom: 406 48M-HB2 B 1.793 ambi=2 { CB:35.417 } atom: 645 71A-H N 8.128 ambi=1 { N:126.458 } :: atom: 407 48M-HB3 B 1.751 ambi=2 { CB:35.417 } atom: 645 71A-H N 8.128 ambi=1 { N:126.458 } ::sumAvg: 4.275 atom: 408 48M-HG2 G 2.529 ambi=2 { CG:33.062 } atom: 533 60A-HA A 6.084 ambi=1 { CA:49.561 } :: atom: 409 48M-HG3 G 2.345 ambi=2 { CG:33.062 } atom: 533 60A-HA A 6.084 ambi=1 { CA:49.561 } ::sumAvg: 4.81 atom: 562 64K-HB2 B 1.361 ambi=2 { CB:32.256 } atom: 408 48M-HG2 G 2.529 ambi=2 { CG:33.062 } :: atom: 563 64K-HB3 B 1.44 ambi=2 { CB:32.256 } atom: 408 48M-HG2 G 2.529 ambi=2 { CG:33.062 } :: atom: 562 64K-HB2 B 1.361 ambi=2 { CB:32.256 } atom: 409 48M-HG3 G 2.345 ambi=2 { CG:33.062 } :: atom: 563 64K-HB3 B 1.44 ambi=2 { CB:32.256 } atom: 409 48M-HG3 G 2.345 ambi=2 { CG:33.062 } ::sumAvg: 4.365 atom: 577 65K-HA A 3.736 ambi=1 { CA:59.936 } atom: 408 48M-HG2 G 2.529 ambi=2 { CG:33.062 } :: atom: 577 65K-HA A 3.736 ambi=1 { CA:59.936 } atom: 409 48M-HG3 G 2.345 ambi=2 { CG:33.062 } ::sumAvg: 4.99 atom: 569 64K-QE E 2.742 ambi=2 { CE:41.78 } atom: 410 48M-HE E 1.931 ambi=1 { CE:17.038 } ::sumAvg: 3.36 atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } atom: 410 48M-HE E 1.931 ambi=1 { CE:17.038 } ::sumAvg: 4.085 atom: 410 48M-HE E 1.931 ambi=1 { CE:17.038 } atom: 611 68K-HB3 B 1.292 ambi=2 { CB:32.096 } ::sumAvg: 4.33 atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } atom: 417 49E-HA A 5.671 ambi=1 { CA:54.091 } ::sumAvg: 4.42 atom: 417 49E-HA A 5.671 ambi=1 { CA:54.091 } atom: 520 58Q-HE21 E2 8.214 ambi=2 { NE2:111.234 } :: atom: 417 49E-HA A 5.671 ambi=1 { CA:54.091 } atom: 521 58Q-HE22 E2 6.558 ambi=2 { NE2:111.234 } ::sumAvg: 4.935 atom: 417 49E-HA A 5.671 ambi=1 { CA:54.091 } atom: 646 71A-HA A 3.966 ambi=1 { CA:55.371 } ::sumAvg: 4.89 atom: 646 71A-HA A 3.966 ambi=1 { CA:55.371 } atom: 417 49E-HA A 5.671 ambi=1 { CA:54.091 } ::sumAvg: 4.89 atom: 418 49E-HB2 B 1.845 ambi=2 { CB:35.842 } atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } :: atom: 419 49E-HB3 B 2.018 ambi=2 { CB:35.842 } atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } ::sumAvg: 4.74 atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } atom: 418 49E-HB2 B 1.845 ambi=2 { CB:35.842 } :: atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } atom: 419 49E-HB3 B 2.018 ambi=2 { CB:35.842 } ::sumAvg: 4.74 atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } atom: 420 49E-HG2 G 2.016 ambi=2 { CG:38.624 } :: atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } atom: 421 49E-HG3 G 1.927 ambi=2 { CG:38.624 } ::sumAvg: 3.765 atom: 420 49E-HG2 G 2.016 ambi=2 { CG:38.624 } atom: 429 50V-HG1 G1 0.696 ambi=2 { CG1:18.309 } :: atom: 420 49E-HG2 G 2.016 ambi=2 { CG:38.624 } atom: 430 50V-HG2 G2 0.262 ambi=2 { CG2:21.31 } :: atom: 421 49E-HG3 G 1.927 ambi=2 { CG:38.624 } atom: 429 50V-HG1 G1 0.696 ambi=2 { CG1:18.309 } :: atom: 421 49E-HG3 G 1.927 ambi=2 { CG:38.624 } atom: 430 50V-HG2 G2 0.262 ambi=2 { CG2:21.31 } ::sumAvg: 4.385 atom: 420 49E-HG2 G 2.016 ambi=2 { CG:38.624 } atom: 436 51E-H N 8.063 ambi=1 { N:129.133 } :: atom: 421 49E-HG3 G 1.927 ambi=2 { CG:38.624 } atom: 436 51E-H N 8.063 ambi=1 { N:129.133 } ::sumAvg: 4.36 atom: 420 49E-HG2 G 2.016 ambi=2 { CG:38.624 } atom: 437 51E-HA A 5.288 ambi=1 { CA:53.988 } :: atom: 421 49E-HG3 G 1.927 ambi=2 { CG:38.624 } atom: 437 51E-HA A 5.288 ambi=1 { CA:53.988 } ::sumAvg: 4.56 atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } atom: 420 49E-HG2 G 2.016 ambi=2 { CG:38.624 } :: atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } atom: 421 49E-HG3 G 1.927 ambi=2 { CG:38.624 } ::sumAvg: 3.93 atom: 420 49E-HG2 G 2.016 ambi=2 { CG:38.624 } atom: 490 56K-QE E 2.814 ambi=2 { CE:41.78 } :: atom: 421 49E-HG3 G 1.927 ambi=2 { CG:38.624 } atom: 490 56K-QE E 2.814 ambi=2 { CE:41.78 } ::sumAvg: 4.965 atom: 498 57F-HA A 4.654 ambi=1 { CA:57.356 } atom: 420 49E-HG2 G 2.016 ambi=2 { CG:38.624 } :: atom: 498 57F-HA A 4.654 ambi=1 { CA:57.356 } atom: 421 49E-HG3 G 1.927 ambi=2 { CG:38.624 } ::sumAvg: 4.48 atom: 420 49E-HG2 G 2.016 ambi=2 { CG:38.624 } atom: 514 58Q-H N 8.642 ambi=1 { N:119.546 } :: atom: 421 49E-HG3 G 1.927 ambi=2 { CG:38.624 } atom: 514 58Q-H N 8.642 ambi=1 { N:119.546 } ::sumAvg: 4.625 atom: 437 51E-HA A 5.288 ambi=1 { CA:53.988 } atom: 426 50V-H N 9.162 ambi=1 { N:125.164 } ::sumAvg: 4.9 atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } atom: 426 50V-H N 9.162 ambi=1 { N:125.164 } ::sumAvg: 4.56 atom: 483 56K-HB2 B 1.501 ambi=2 { CB:34.153 } atom: 426 50V-H N 9.162 ambi=1 { N:125.164 } :: atom: 484 56K-HB3 B 1.377 ambi=2 { CB:34.153 } atom: 426 50V-H N 9.162 ambi=1 { N:125.164 } ::sumAvg: 4.935 atom: 498 57F-HA A 4.654 ambi=1 { CA:57.356 } atom: 426 50V-H N 9.162 ambi=1 { N:125.164 } ::sumAvg: 4.78 atom: 501 57F-QD D 7.155 ambi=3 { CD1:132.473 CD2:132.689 } atom: 426 50V-H N 9.162 ambi=1 { N:125.164 } ::sumAvg: 4.7 atom: 646 71A-HA A 3.966 ambi=1 { CA:55.371 } atom: 426 50V-H N 9.162 ambi=1 { N:125.164 } ::sumAvg: 4.915 atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } atom: 437 51E-HA A 5.288 ambi=1 { CA:53.988 } ::sumAvg: 4.41 atom: 437 51E-HA A 5.288 ambi=1 { CA:53.988 } atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } ::sumAvg: 4.41 atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } atom: 438 51E-HB2 B 1.968 ambi=2 { CB:31.035 } :: atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } atom: 439 51E-HB3 B 1.683 ambi=2 { CB:31.035 } ::sumAvg: 4.565 atom: 438 51E-HB2 B 1.968 ambi=2 { CB:31.035 } atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } :: atom: 439 51E-HB3 B 1.683 ambi=2 { CB:31.035 } atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } ::sumAvg: 4.565 atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } atom: 449 52V-HG1 G1 0.943 ambi=2 { CG1:22.154 } :: atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } atom: 450 52V-HG2 G2 0.938 ambi=2 { CG2:22.041 } ::sumAvg: 4.52 atom: 449 52V-HG1 G1 0.943 ambi=2 { CG1:22.154 } atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } :: atom: 450 52V-HG2 G2 0.938 ambi=2 { CG2:22.041 } atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } ::sumAvg: 4.52 atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } atom: 497 57F-H N 8.797 ambi=1 { N:121.5 } ::sumAvg: 4.715 atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } atom: 647 71A-HB B 1.52 ambi=1 { CB:16.945 } ::sumAvg: 4.485 atom: 647 71A-HB B 1.52 ambi=1 { CB:16.945 } atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } ::sumAvg: 4.485 atom: 428 50V-HB B 1.324 ambi=1 { CB:35.927 } atom: 499 57F-HB2 B 3.165 ambi=2 { CB:41.58 } :: atom: 428 50V-HB B 1.324 ambi=1 { CB:35.927 } atom: 500 57F-HB3 B 2.804 ambi=2 { CB:41.58 } ::sumAvg: 4.935 atom: 428 50V-HB B 1.324 ambi=1 { CB:35.927 } atom: 609 68K-HA A 3.538 ambi=1 { CA:60.078 } ::sumAvg: 4.95 atom: 428 50V-HB B 1.324 ambi=1 { CB:35.927 } atom: 651 72A-H N 8.347 ambi=1 { N:118.235 } ::sumAvg: 4.905 atom: 428 50V-HB B 1.324 ambi=1 { CB:35.927 } atom: 652 72A-HA A 3.961 ambi=1 { CA:54.316 } ::sumAvg: 4.445 atom: 652 72A-HA A 3.961 ambi=1 { CA:54.316 } atom: 428 50V-HB B 1.324 ambi=1 { CB:35.927 } ::sumAvg: 4.445 atom: 440 51E-QG G 1.8075 ambi=2 { CG:36.411 } atom: 429 50V-HG1 G1 0.696 ambi=2 { CG1:18.309 } :: atom: 440 51E-QG G 1.8075 ambi=2 { CG:36.411 } atom: 430 50V-HG2 G2 0.262 ambi=2 { CG2:21.31 } ::sumAvg: 4.89 atom: 429 50V-HG1 G1 0.696 ambi=2 { CG1:18.309 } atom: 446 52V-H N 9.375 ambi=1 { N:126.813 } :: atom: 430 50V-HG2 G2 0.262 ambi=2 { CG2:21.31 } atom: 446 52V-H N 9.375 ambi=1 { N:126.813 } ::sumAvg: 3.89 atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } atom: 429 50V-HG1 G1 0.696 ambi=2 { CG1:18.309 } :: atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } atom: 430 50V-HG2 G2 0.262 ambi=2 { CG2:21.31 } ::sumAvg: 4.26 atom: 498 57F-HA A 4.654 ambi=1 { CA:57.356 } atom: 429 50V-HG1 G1 0.696 ambi=2 { CG1:18.309 } :: atom: 498 57F-HA A 4.654 ambi=1 { CA:57.356 } atom: 430 50V-HG2 G2 0.262 ambi=2 { CG2:21.31 } ::sumAvg: 4.4 atom: 429 50V-HG1 G1 0.696 ambi=2 { CG1:18.309 } atom: 670 74A-H N 7.8 ambi=1 { N:121.011 } :: atom: 430 50V-HG2 G2 0.262 ambi=2 { CG2:21.31 } atom: 670 74A-H N 7.8 ambi=1 { N:121.011 } ::sumAvg: 4.915 atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } atom: 436 51E-H N 8.063 ambi=1 { N:129.133 } ::sumAvg: 4.57 atom: 485 56K-HG2 G 1.067 ambi=2 { CG:25.282 } atom: 436 51E-H N 8.063 ambi=1 { N:129.133 } :: atom: 486 56K-HG3 G 1.279 ambi=2 { CG:25.282 } atom: 436 51E-H N 8.063 ambi=1 { N:129.133 } ::sumAvg: 4.41 atom: 501 57F-QD D 7.155 ambi=3 { CD1:132.473 CD2:132.689 } atom: 437 51E-HA A 5.288 ambi=1 { CA:53.988 } ::sumAvg: 3.93 atom: 503 57F-QE E 7.21 ambi=3 { CE1:131.294 } atom: 437 51E-HA A 5.288 ambi=1 { CA:53.988 } ::sumAvg: 4.965 atom: 438 51E-HB2 B 1.968 ambi=2 { CB:31.035 } atom: 447 52V-HA A 4.271 ambi=1 { CA:60.843 } :: atom: 439 51E-HB3 B 1.683 ambi=2 { CB:31.035 } atom: 447 52V-HA A 4.271 ambi=1 { CA:60.843 } ::sumAvg: 4.89 atom: 447 52V-HA A 4.271 ambi=1 { CA:60.843 } atom: 438 51E-HB2 B 1.968 ambi=2 { CB:31.035 } :: atom: 447 52V-HA A 4.271 ambi=1 { CA:60.843 } atom: 439 51E-HB3 B 1.683 ambi=2 { CB:31.035 } ::sumAvg: 4.89 atom: 438 51E-HB2 B 1.968 ambi=2 { CB:31.035 } atom: 449 52V-HG1 G1 0.943 ambi=2 { CG1:22.154 } :: atom: 438 51E-HB2 B 1.968 ambi=2 { CB:31.035 } atom: 450 52V-HG2 G2 0.938 ambi=2 { CG2:22.041 } :: atom: 439 51E-HB3 B 1.683 ambi=2 { CB:31.035 } atom: 449 52V-HG1 G1 0.943 ambi=2 { CG1:22.154 } :: atom: 439 51E-HB3 B 1.683 ambi=2 { CB:31.035 } atom: 450 52V-HG2 G2 0.938 ambi=2 { CG2:22.041 } ::sumAvg: 4.9 atom: 438 51E-HB2 B 1.968 ambi=2 { CB:31.035 } atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } :: atom: 439 51E-HB3 B 1.683 ambi=2 { CB:31.035 } atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } ::sumAvg: 3.675 atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } atom: 438 51E-HB2 B 1.968 ambi=2 { CB:31.035 } :: atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } atom: 439 51E-HB3 B 1.683 ambi=2 { CB:31.035 } ::sumAvg: 3.675 atom: 440 51E-QG G 1.8075 ambi=2 { CG:36.411 } atom: 449 52V-HG1 G1 0.943 ambi=2 { CG1:22.154 } :: atom: 440 51E-QG G 1.8075 ambi=2 { CG:36.411 } atom: 450 52V-HG2 G2 0.938 ambi=2 { CG2:22.041 } ::sumAvg: 4.58 atom: 440 51E-QG G 1.8075 ambi=2 { CG:36.411 } atom: 456 53D-H N 9.154 ambi=1 { N:127.118 } ::sumAvg: 4.15 atom: 440 51E-QG G 1.8075 ambi=2 { CG:36.411 } atom: 469 55Q-HA A 4.418 ambi=1 { CA:54.022 } ::sumAvg: 4.18 atom: 469 55Q-HA A 4.418 ambi=1 { CA:54.022 } atom: 440 51E-QG G 1.8075 ambi=2 { CG:36.411 } ::sumAvg: 4.18 atom: 440 51E-QG G 1.8075 ambi=2 { CG:36.411 } atom: 481 56K-H N 8.203 ambi=1 { N:120.645 } ::sumAvg: 4.22 atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } atom: 440 51E-QG G 1.8075 ambi=2 { CG:36.411 } ::sumAvg: 3.525 atom: 484 56K-HB3 B 1.377 ambi=2 { CB:34.153 } atom: 440 51E-QG G 1.8075 ambi=2 { CG:36.411 } ::sumAvg: 4.885 atom: 469 55Q-HA A 4.418 ambi=1 { CA:54.022 } atom: 446 52V-H N 9.375 ambi=1 { N:126.813 } ::sumAvg: 4.68 atom: 470 55Q-HB2 B 2.037 ambi=2 { CB:31.625 } atom: 446 52V-H N 9.375 ambi=1 { N:126.813 } :: atom: 471 55Q-HB3 B 1.749 ambi=2 { CB:31.625 } atom: 446 52V-H N 9.375 ambi=1 { N:126.813 } ::sumAvg: 3.745 atom: 487 56K-HD2 D 1.532 ambi=2 { CD:28.78 } atom: 446 52V-H N 9.375 ambi=1 { N:126.813 } :: atom: 488 56K-HD3 D 1.392 ambi=2 { CD:28.78 } atom: 446 52V-H N 9.375 ambi=1 { N:126.813 } ::sumAvg: 4.715 atom: 678 75A-HB B 0.868 ambi=1 { CB:19.181 } atom: 446 52V-H N 9.375 ambi=1 { N:126.813 } ::sumAvg: 4.59 atom: 726 79L-HD1 D1 0.736 ambi=2 { CD1:26.096 } atom: 446 52V-H N 9.375 ambi=1 { N:126.813 } :: atom: 727 79L-HD2 D2 0.784 ambi=2 { CD2:21.774 } atom: 446 52V-H N 9.375 ambi=1 { N:126.813 } ::sumAvg: 4.365 atom: 447 52V-HA A 4.271 ambi=1 { CA:60.843 } atom: 458 53D-HB2 B 2.897 ambi=2 { CB:38.138 } :: atom: 447 52V-HA A 4.271 ambi=1 { CA:60.843 } atom: 459 53D-HB3 B 2.783 ambi=2 { CB:38.138 } ::sumAvg: 4.52 atom: 448 52V-HB B 2.161 ambi=1 { CB:33.843 } atom: 458 53D-HB2 B 2.897 ambi=2 { CB:38.138 } :: atom: 448 52V-HB B 2.161 ambi=1 { CB:33.843 } atom: 459 53D-HB3 B 2.783 ambi=2 { CB:38.138 } ::sumAvg: 4.44 atom: 725 79L-HG G 1.475 ambi=1 { CG:26.77 } atom: 448 52V-HB B 2.161 ambi=1 { CB:33.843 } ::sumAvg: 4.775 atom: 449 52V-HG1 G1 0.943 ambi=2 { CG1:22.154 } atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } :: atom: 450 52V-HG2 G2 0.938 ambi=2 { CG2:22.041 } atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } ::sumAvg: 4.665 atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } atom: 449 52V-HG1 G1 0.943 ambi=2 { CG1:22.154 } :: atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } atom: 450 52V-HG2 G2 0.938 ambi=2 { CG2:22.041 } ::sumAvg: 4.665 atom: 499 57F-HB2 B 3.165 ambi=2 { CB:41.58 } atom: 449 52V-HG1 G1 0.943 ambi=2 { CG1:22.154 } :: atom: 500 57F-HB3 B 2.804 ambi=2 { CB:41.58 } atom: 449 52V-HG1 G1 0.943 ambi=2 { CG1:22.154 } :: atom: 499 57F-HB2 B 3.165 ambi=2 { CB:41.58 } atom: 450 52V-HG2 G2 0.938 ambi=2 { CG2:22.041 } :: atom: 500 57F-HB3 B 2.804 ambi=2 { CB:41.58 } atom: 450 52V-HG2 G2 0.938 ambi=2 { CG2:22.041 } ::sumAvg: 4.055 atom: 449 52V-HG1 G1 0.943 ambi=2 { CG1:22.154 } atom: 676 75A-H N 7.359 ambi=1 { N:121.317 } :: atom: 450 52V-HG2 G2 0.938 ambi=2 { CG2:22.041 } atom: 676 75A-H N 7.359 ambi=1 { N:121.317 } ::sumAvg: 4.74 atom: 449 52V-HG1 G1 0.943 ambi=2 { CG1:22.154 } atom: 677 75A-HA A 2.052 ambi=1 { CA:53.885 } :: atom: 450 52V-HG2 G2 0.938 ambi=2 { CG2:22.041 } atom: 677 75A-HA A 2.052 ambi=1 { CA:53.885 } ::sumAvg: 4.26 atom: 677 75A-HA A 2.052 ambi=1 { CA:53.885 } atom: 449 52V-HG1 G1 0.943 ambi=2 { CG1:22.154 } :: atom: 677 75A-HA A 2.052 ambi=1 { CA:53.885 } atom: 450 52V-HG2 G2 0.938 ambi=2 { CG2:22.041 } ::sumAvg: 4.26 atom: 449 52V-HG1 G1 0.943 ambi=2 { CG1:22.154 } atom: 724 79L-HB3 B 0.375 ambi=2 { CB:42.761 } :: atom: 450 52V-HG2 G2 0.938 ambi=2 { CG2:22.041 } atom: 724 79L-HB3 B 0.375 ambi=2 { CB:42.761 } ::sumAvg: 4.085 atom: 457 53D-HA A 4.237 ambi=1 { CA:54.764 } atom: 464 54G-HA2 A 3.638 ambi=2 { CA:45.165 } ::sumAvg: 4.415 atom: 464 54G-HA2 A 3.638 ambi=2 { CA:45.165 } atom: 457 53D-HA A 4.237 ambi=1 { CA:54.764 } ::sumAvg: 4.415 atom: 457 53D-HA A 4.237 ambi=1 { CA:54.764 } atom: 474 55Q-HE21 E2 6.797 ambi=2 { NE2:111.81 } :: atom: 457 53D-HA A 4.237 ambi=1 { CA:54.764 } atom: 475 55Q-HE22 E2 7.537 ambi=2 { NE2:111.81 } ::sumAvg: 4.905 atom: 458 53D-HB2 B 2.897 ambi=2 { CB:38.138 } atom: 464 54G-HA2 A 3.638 ambi=2 { CA:45.165 } :: atom: 458 53D-HB2 B 2.897 ambi=2 { CB:38.138 } atom: 465 54G-HA3 A 4.065 ambi=2 { CA:45.165 } :: atom: 459 53D-HB3 B 2.783 ambi=2 { CB:38.138 } atom: 464 54G-HA2 A 3.638 ambi=2 { CA:45.165 } :: atom: 459 53D-HB3 B 2.783 ambi=2 { CB:38.138 } atom: 465 54G-HA3 A 4.065 ambi=2 { CA:45.165 } ::sumAvg: 4.735 atom: 464 54G-HA2 A 3.638 ambi=2 { CA:45.165 } atom: 458 53D-HB2 B 2.897 ambi=2 { CB:38.138 } :: atom: 465 54G-HA3 A 4.065 ambi=2 { CA:45.165 } atom: 458 53D-HB2 B 2.897 ambi=2 { CB:38.138 } :: atom: 464 54G-HA2 A 3.638 ambi=2 { CA:45.165 } atom: 459 53D-HB3 B 2.783 ambi=2 { CB:38.138 } :: atom: 465 54G-HA3 A 4.065 ambi=2 { CA:45.165 } atom: 459 53D-HB3 B 2.783 ambi=2 { CB:38.138 } ::sumAvg: 4.735 atom: 472 55Q-HG2 G 2.165 ambi=2 { CG:33.96 } atom: 458 53D-HB2 B 2.897 ambi=2 { CB:38.138 } :: atom: 473 55Q-HG3 G 2.038 ambi=2 { CG:33.96 } atom: 458 53D-HB2 B 2.897 ambi=2 { CB:38.138 } :: atom: 472 55Q-HG2 G 2.165 ambi=2 { CG:33.96 } atom: 459 53D-HB3 B 2.783 ambi=2 { CB:38.138 } :: atom: 473 55Q-HG3 G 2.038 ambi=2 { CG:33.96 } atom: 459 53D-HB3 B 2.783 ambi=2 { CB:38.138 } ::sumAvg: 3.595 atom: 458 53D-HB2 B 2.897 ambi=2 { CB:38.138 } atom: 503 57F-QE E 7.21 ambi=3 { CE1:131.294 } :: atom: 459 53D-HB3 B 2.783 ambi=2 { CB:38.138 } atom: 503 57F-QE E 7.21 ambi=3 { CE1:131.294 } ::sumAvg: 4.91 atom: 470 55Q-HB2 B 2.037 ambi=2 { CB:31.625 } atom: 463 54G-H N 8.781 ambi=1 { N:103.187 } :: atom: 471 55Q-HB3 B 1.749 ambi=2 { CB:31.625 } atom: 463 54G-H N 8.781 ambi=1 { N:103.187 } ::sumAvg: 4.88 atom: 464 54G-HA2 A 3.638 ambi=2 { CA:45.165 } atom: 469 55Q-HA A 4.418 ambi=1 { CA:54.022 } ::sumAvg: 4.485 atom: 469 55Q-HA A 4.418 ambi=1 { CA:54.022 } atom: 464 54G-HA2 A 3.638 ambi=2 { CA:45.165 } ::sumAvg: 4.485 atom: 472 55Q-HG2 G 2.165 ambi=2 { CG:33.96 } atom: 464 54G-HA2 A 3.638 ambi=2 { CA:45.165 } :: atom: 473 55Q-HG3 G 2.038 ambi=2 { CG:33.96 } atom: 464 54G-HA2 A 3.638 ambi=2 { CA:45.165 } :: atom: 472 55Q-HG2 G 2.165 ambi=2 { CG:33.96 } atom: 465 54G-HA3 A 4.065 ambi=2 { CA:45.165 } :: atom: 473 55Q-HG3 G 2.038 ambi=2 { CG:33.96 } atom: 465 54G-HA3 A 4.065 ambi=2 { CA:45.165 } ::sumAvg: 3.865 atom: 464 54G-HA2 A 3.638 ambi=2 { CA:45.165 } atom: 490 56K-QE E 2.814 ambi=2 { CE:41.78 } :: atom: 465 54G-HA3 A 4.065 ambi=2 { CA:45.165 } atom: 490 56K-QE E 2.814 ambi=2 { CE:41.78 } ::sumAvg: 4.725 atom: 490 56K-QE E 2.814 ambi=2 { CE:41.78 } atom: 464 54G-HA2 A 3.638 ambi=2 { CA:45.165 } :: atom: 490 56K-QE E 2.814 ambi=2 { CE:41.78 } atom: 465 54G-HA3 A 4.065 ambi=2 { CA:45.165 } ::sumAvg: 4.725 atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } atom: 468 55Q-H N 8.023 ambi=1 { N:121.223 } ::sumAvg: 4.945 atom: 487 56K-HD2 D 1.532 ambi=2 { CD:28.78 } atom: 468 55Q-H N 8.023 ambi=1 { N:121.223 } :: atom: 488 56K-HD3 D 1.392 ambi=2 { CD:28.78 } atom: 468 55Q-H N 8.023 ambi=1 { N:121.223 } ::sumAvg: 4.52 atom: 503 57F-QE E 7.21 ambi=3 { CE1:131.294 } atom: 468 55Q-H N 8.023 ambi=1 { N:121.223 } ::sumAvg: 4.225 atom: 726 79L-HD1 D1 0.736 ambi=2 { CD1:26.096 } atom: 468 55Q-H N 8.023 ambi=1 { N:121.223 } :: atom: 727 79L-HD2 D2 0.784 ambi=2 { CD2:21.774 } atom: 468 55Q-H N 8.023 ambi=1 { N:121.223 } ::sumAvg: 4.54 atom: 469 55Q-HA A 4.418 ambi=1 { CA:54.022 } atom: 474 55Q-HE21 E2 6.797 ambi=2 { NE2:111.81 } :: atom: 469 55Q-HA A 4.418 ambi=1 { CA:54.022 } atom: 475 55Q-HE22 E2 7.537 ambi=2 { NE2:111.81 } ::sumAvg: 4.945 atom: 503 57F-QE E 7.21 ambi=3 { CE1:131.294 } atom: 469 55Q-HA A 4.418 ambi=1 { CA:54.022 } ::sumAvg: 4.845 atom: 470 55Q-HB2 B 2.037 ambi=2 { CB:31.625 } atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } :: atom: 471 55Q-HB3 B 1.749 ambi=2 { CB:31.625 } atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } ::sumAvg: 4.87 atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } atom: 470 55Q-HB2 B 2.037 ambi=2 { CB:31.625 } :: atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } atom: 471 55Q-HB3 B 1.749 ambi=2 { CB:31.625 } ::sumAvg: 4.87 atom: 470 55Q-HB2 B 2.037 ambi=2 { CB:31.625 } atom: 714 78K-QE E 3.0895 ambi=2 { CE:42.211 } :: atom: 471 55Q-HB3 B 1.749 ambi=2 { CB:31.625 } atom: 714 78K-QE E 3.0895 ambi=2 { CE:42.211 } ::sumAvg: 4.93 atom: 470 55Q-HB2 B 2.037 ambi=2 { CB:31.625 } atom: 725 79L-HG G 1.475 ambi=1 { CG:26.77 } ::sumAvg: 4.98 atom: 725 79L-HG G 1.475 ambi=1 { CG:26.77 } atom: 470 55Q-HB2 B 2.037 ambi=2 { CB:31.625 } ::sumAvg: 4.98 atom: 503 57F-QE E 7.21 ambi=3 { CE1:131.294 } atom: 474 55Q-HE21 E2 6.797 ambi=2 { NE2:111.81 } ::sumAvg: 4.84 atom: 505 57F-HZ Z 6.933 ambi=1 { CZ:127.989 } atom: 475 55Q-HE22 E2 7.537 ambi=2 { NE2:111.81 } ::sumAvg: 4.44 atom: 711 78K-HD2 D 1.921 ambi=2 { CD:28.247 } atom: 474 55Q-HE21 E2 6.797 ambi=2 { NE2:111.81 } :: atom: 712 78K-HD3 D 1.783 ambi=2 { CD:28.247 } atom: 474 55Q-HE21 E2 6.797 ambi=2 { NE2:111.81 } :: atom: 711 78K-HD2 D 1.921 ambi=2 { CD:28.247 } atom: 475 55Q-HE22 E2 7.537 ambi=2 { NE2:111.81 } :: atom: 712 78K-HD3 D 1.783 ambi=2 { CD:28.247 } atom: 475 55Q-HE22 E2 7.537 ambi=2 { NE2:111.81 } ::sumAvg: 4.785 atom: 725 79L-HG G 1.475 ambi=1 { CG:26.77 } atom: 474 55Q-HE21 E2 6.797 ambi=2 { NE2:111.81 } :: atom: 725 79L-HG G 1.475 ambi=1 { CG:26.77 } atom: 475 55Q-HE22 E2 7.537 ambi=2 { NE2:111.81 } ::sumAvg: 4.9 atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } atom: 490 56K-QE E 2.814 ambi=2 { CE:41.78 } ::sumAvg: 4.14 atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } atom: 499 57F-HB2 B 3.165 ambi=2 { CB:41.58 } :: atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } atom: 500 57F-HB3 B 2.804 ambi=2 { CB:41.58 } ::sumAvg: 4.61 atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } atom: 501 57F-QD D 7.155 ambi=3 { CD1:132.473 CD2:132.689 } ::sumAvg: 3.545 atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } atom: 503 57F-QE E 7.21 ambi=3 { CE1:131.294 } ::sumAvg: 4.73 atom: 498 57F-HA A 4.654 ambi=1 { CA:57.356 } atom: 483 56K-HB2 B 1.501 ambi=2 { CB:34.153 } :: atom: 498 57F-HA A 4.654 ambi=1 { CA:57.356 } atom: 484 56K-HB3 B 1.377 ambi=2 { CB:34.153 } ::sumAvg: 4.265 atom: 483 56K-HB2 B 1.501 ambi=2 { CB:34.153 } atom: 518 58Q-HG2 G 2.387 ambi=2 { CG:33.72 } :: atom: 483 56K-HB2 B 1.501 ambi=2 { CB:34.153 } atom: 519 58Q-HG3 G 2.274 ambi=2 { CG:33.72 } :: atom: 484 56K-HB3 B 1.377 ambi=2 { CB:34.153 } atom: 518 58Q-HG2 G 2.387 ambi=2 { CG:33.72 } :: atom: 484 56K-HB3 B 1.377 ambi=2 { CB:34.153 } atom: 519 58Q-HG3 G 2.274 ambi=2 { CG:33.72 } ::sumAvg: 4.13 atom: 503 57F-QE E 7.21 ambi=3 { CE1:131.294 } atom: 497 57F-H N 8.797 ambi=1 { N:121.5 } ::sumAvg: 4.805 atom: 498 57F-HA A 4.654 ambi=1 { CA:57.356 } atom: 503 57F-QE E 7.21 ambi=3 { CE1:131.294 } ::sumAvg: 4.7 atom: 498 57F-HA A 4.654 ambi=1 { CA:57.356 } atom: 515 58Q-HA A 5.808 ambi=1 { CA:53.896 } ::sumAvg: 4.43 atom: 498 57F-HA A 4.654 ambi=1 { CA:57.356 } atom: 516 58Q-HB2 B 1.961 ambi=2 { CB:31.624 } :: atom: 498 57F-HA A 4.654 ambi=1 { CA:57.356 } atom: 517 58Q-HB3 B 1.891 ambi=2 { CB:31.624 } ::sumAvg: 4.4 atom: 516 58Q-HB2 B 1.961 ambi=2 { CB:31.624 } atom: 498 57F-HA A 4.654 ambi=1 { CA:57.356 } :: atom: 517 58Q-HB3 B 1.891 ambi=2 { CB:31.624 } atom: 498 57F-HA A 4.654 ambi=1 { CA:57.356 } ::sumAvg: 4.4 atom: 498 57F-HA A 4.654 ambi=1 { CA:57.356 } atom: 518 58Q-HG2 G 2.387 ambi=2 { CG:33.72 } :: atom: 498 57F-HA A 4.654 ambi=1 { CA:57.356 } atom: 519 58Q-HG3 G 2.274 ambi=2 { CG:33.72 } ::sumAvg: 3.795 atom: 498 57F-HA A 4.654 ambi=1 { CA:57.356 } atom: 672 74A-HB B 1.775 ambi=1 { CB:17.662 } ::sumAvg: 3.86 atom: 499 57F-HB2 B 3.165 ambi=2 { CB:41.58 } atom: 503 57F-QE E 7.21 ambi=3 { CE1:131.294 } :: atom: 500 57F-HB3 B 2.804 ambi=2 { CB:41.58 } atom: 503 57F-QE E 7.21 ambi=3 { CE1:131.294 } ::sumAvg: 4.395 atom: 499 57F-HB2 B 3.165 ambi=2 { CB:41.58 } atom: 515 58Q-HA A 5.808 ambi=1 { CA:53.896 } :: atom: 500 57F-HB3 B 2.804 ambi=2 { CB:41.58 } atom: 515 58Q-HA A 5.808 ambi=1 { CA:53.896 } ::sumAvg: 4.685 atom: 515 58Q-HA A 5.808 ambi=1 { CA:53.896 } atom: 499 57F-HB2 B 3.165 ambi=2 { CB:41.58 } :: atom: 515 58Q-HA A 5.808 ambi=1 { CA:53.896 } atom: 500 57F-HB3 B 2.804 ambi=2 { CB:41.58 } ::sumAvg: 4.685 atom: 652 72A-HA A 3.961 ambi=1 { CA:54.316 } atom: 499 57F-HB2 B 3.165 ambi=2 { CB:41.58 } :: atom: 652 72A-HA A 3.961 ambi=1 { CA:54.316 } atom: 500 57F-HB3 B 2.804 ambi=2 { CB:41.58 } ::sumAvg: 4.895 atom: 499 57F-HB2 B 3.165 ambi=2 { CB:41.58 } atom: 670 74A-H N 7.8 ambi=1 { N:121.011 } :: atom: 500 57F-HB3 B 2.804 ambi=2 { CB:41.58 } atom: 670 74A-H N 7.8 ambi=1 { N:121.011 } ::sumAvg: 4.675 atom: 499 57F-HB2 B 3.165 ambi=2 { CB:41.58 } atom: 671 74A-HA A 4.149 ambi=1 { CA:54.741 } :: atom: 500 57F-HB3 B 2.804 ambi=2 { CB:41.58 } atom: 671 74A-HA A 4.149 ambi=1 { CA:54.741 } ::sumAvg: 4.55 atom: 499 57F-HB2 B 3.165 ambi=2 { CB:41.58 } atom: 677 75A-HA A 2.052 ambi=1 { CA:53.885 } :: atom: 500 57F-HB3 B 2.804 ambi=2 { CB:41.58 } atom: 677 75A-HA A 2.052 ambi=1 { CA:53.885 } ::sumAvg: 3.845 atom: 501 57F-QD D 7.155 ambi=3 { CD1:132.473 CD2:132.689 } atom: 671 74A-HA A 4.149 ambi=1 { CA:54.741 } ::sumAvg: 4.64 atom: 503 57F-QE E 7.21 ambi=3 { CE1:131.294 } atom: 714 78K-QE E 3.0895 ambi=2 { CE:42.211 } ::sumAvg: 3.575 atom: 505 57F-HZ Z 6.933 ambi=1 { CZ:127.989 } atom: 678 75A-HB B 0.868 ambi=1 { CB:19.181 } ::sumAvg: 4.335 atom: 505 57F-HZ Z 6.933 ambi=1 { CZ:127.989 } atom: 721 79L-H N 8.194 ambi=1 { N:115.31 } ::sumAvg: 4.755 atom: 647 71A-HB B 1.52 ambi=1 { CB:16.945 } atom: 514 58Q-H N 8.642 ambi=1 { N:119.546 } ::sumAvg: 4.43 atom: 515 58Q-HA A 5.808 ambi=1 { CA:53.896 } atom: 672 74A-HB B 1.775 ambi=1 { CB:17.662 } ::sumAvg: 4.43 atom: 672 74A-HB B 1.775 ambi=1 { CB:17.662 } atom: 515 58Q-HA A 5.808 ambi=1 { CA:53.896 } ::sumAvg: 4.43 atom: 528 59G-HA2 A 4.059 ambi=2 { CA:44.691 } atom: 516 58Q-HB2 B 1.961 ambi=2 { CB:31.624 } :: atom: 529 59G-HA3 A 4.447 ambi=2 { CA:44.691 } atom: 516 58Q-HB2 B 1.961 ambi=2 { CB:31.624 } :: atom: 528 59G-HA2 A 4.059 ambi=2 { CA:44.691 } atom: 517 58Q-HB3 B 1.891 ambi=2 { CB:31.624 } :: atom: 529 59G-HA3 A 4.447 ambi=2 { CA:44.691 } atom: 517 58Q-HB3 B 1.891 ambi=2 { CB:31.624 } ::sumAvg: 4.07 atom: 516 58Q-HB2 B 1.961 ambi=2 { CB:31.624 } atom: 647 71A-HB B 1.52 ambi=1 { CB:16.945 } ::sumAvg: 4.67 atom: 533 60A-HA A 6.084 ambi=1 { CA:49.561 } atom: 527 59G-H N 8.835 ambi=1 { N:107.365 } ::sumAvg: 4.77 atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } atom: 527 59G-H N 8.835 ambi=1 { N:107.365 } ::sumAvg: 4.52 atom: 529 59G-HA3 A 4.447 ambi=2 { CA:44.691 } atom: 603 67A-HA A 3.8 ambi=1 { CA:55.5 } ::sumAvg: 4.265 atom: 672 74A-HB B 1.775 ambi=1 { CB:17.662 } atom: 528 59G-HA2 A 4.059 ambi=2 { CA:44.691 } :: atom: 672 74A-HB B 1.775 ambi=1 { CB:17.662 } atom: 529 59G-HA3 A 4.447 ambi=2 { CA:44.691 } ::sumAvg: 4.07 atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } atom: 532 60A-H N 8.309 ambi=1 { N:123.517 } ::sumAvg: 4.31 atom: 533 60A-HA A 6.084 ambi=1 { CA:49.561 } atom: 632 70Y-HB2 B 2.984 ambi=2 { CB:37.489 } :: atom: 533 60A-HA A 6.084 ambi=1 { CA:49.561 } atom: 633 70Y-HB3 B 3.319 ambi=2 { CB:37.489 } ::sumAvg: 4.34 atom: 632 70Y-HB2 B 2.984 ambi=2 { CB:37.489 } atom: 533 60A-HA A 6.084 ambi=1 { CA:49.561 } :: atom: 633 70Y-HB3 B 3.319 ambi=2 { CB:37.489 } atom: 533 60A-HA A 6.084 ambi=1 { CA:49.561 } ::sumAvg: 4.34 atom: 533 60A-HA A 6.084 ambi=1 { CA:49.561 } atom: 634 70Y-QD D 7.329 ambi=3 { CD1:132.797 CD2:132.996 } ::sumAvg: 4.835 atom: 634 70Y-QD D 7.329 ambi=3 { CD1:132.797 CD2:132.996 } atom: 533 60A-HA A 6.084 ambi=1 { CA:49.561 } ::sumAvg: 4.835 atom: 603 67A-HA A 3.8 ambi=1 { CA:55.5 } atom: 534 60A-HB B 1.309 ambi=1 { CB:23.272 } ::sumAvg: 4.435 atom: 594 66V-HB B 1.842 ambi=1 { CB:31.971 } atom: 538 61G-H N 8.533 ambi=1 { N:103.241 } ::sumAvg: 4.995 atom: 595 66V-HG1 G1 1.116 ambi=2 { CG1:21.65 } atom: 538 61G-H N 8.533 ambi=1 { N:103.241 } :: atom: 596 66V-HG2 G2 1.041 ambi=2 { CG2:22.54 } atom: 538 61G-H N 8.533 ambi=1 { N:103.241 } ::sumAvg: 4.18 atom: 634 70Y-QD D 7.329 ambi=3 { CD1:132.797 CD2:132.996 } atom: 538 61G-H N 8.533 ambi=1 { N:103.241 } ::sumAvg: 4.35 atom: 540 61G-HA3 A 4.075 ambi=2 { CA:45.163 } atom: 544 62S-HA A 4.712 ambi=1 { CA:59.423 } ::sumAvg: 4.365 atom: 546 62S-HB3 B 3.989 ambi=2 { CB:63.26 } atom: 539 61G-HA2 A 4.487 ambi=2 { CA:45.163 } ::sumAvg: 4.72 atom: 593 66V-HA A 3.61 ambi=1 { CA:65.201 } atom: 539 61G-HA2 A 4.487 ambi=2 { CA:45.163 } :: atom: 593 66V-HA A 3.61 ambi=1 { CA:65.201 } atom: 540 61G-HA3 A 4.075 ambi=2 { CA:45.163 } ::sumAvg: 4.79 atom: 539 61G-HA2 A 4.487 ambi=2 { CA:45.163 } atom: 602 67A-H N 7.414 ambi=1 { N:121.317 } :: atom: 540 61G-HA3 A 4.075 ambi=2 { CA:45.163 } atom: 602 67A-H N 7.414 ambi=1 { N:121.317 } ::sumAvg: 3.485 atom: 539 61G-HA2 A 4.487 ambi=2 { CA:45.163 } atom: 603 67A-HA A 3.8 ambi=1 { CA:55.5 } ::sumAvg: 3.075 atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } atom: 543 62S-H N 8.894 ambi=1 { N:114.556 } ::sumAvg: 4.895 atom: 636 70Y-QE E 6.802 ambi=3 { CE1:117.898 } atom: 543 62S-H N 8.894 ambi=1 { N:114.556 } ::sumAvg: 4.45 atom: 544 62S-HA A 4.712 ambi=1 { CA:59.423 } atom: 552 63N-HB2 B 2.914 ambi=2 { CB:40.651 } :: atom: 544 62S-HA A 4.712 ambi=1 { CA:59.423 } atom: 553 63N-HB3 B 2.862 ambi=2 { CB:40.651 } ::sumAvg: 4.85 atom: 552 63N-HB2 B 2.914 ambi=2 { CB:40.651 } atom: 544 62S-HA A 4.712 ambi=1 { CA:59.423 } :: atom: 553 63N-HB3 B 2.862 ambi=2 { CB:40.651 } atom: 544 62S-HA A 4.712 ambi=1 { CA:59.423 } ::sumAvg: 4.85 atom: 545 62S-HB2 B 4.118 ambi=2 { CB:63.26 } atom: 551 63N-HA A 4.624 ambi=1 { CA:51.744 } :: atom: 546 62S-HB3 B 3.989 ambi=2 { CB:63.26 } atom: 551 63N-HA A 4.624 ambi=1 { CA:51.744 } ::sumAvg: 4.875 atom: 551 63N-HA A 4.624 ambi=1 { CA:51.744 } atom: 545 62S-HB2 B 4.118 ambi=2 { CB:63.26 } :: atom: 551 63N-HA A 4.624 ambi=1 { CA:51.744 } atom: 546 62S-HB3 B 3.989 ambi=2 { CB:63.26 } ::sumAvg: 4.875 atom: 545 62S-HB2 B 4.118 ambi=2 { CB:63.26 } atom: 552 63N-HB2 B 2.914 ambi=2 { CB:40.651 } :: atom: 545 62S-HB2 B 4.118 ambi=2 { CB:63.26 } atom: 553 63N-HB3 B 2.862 ambi=2 { CB:40.651 } :: atom: 546 62S-HB3 B 3.989 ambi=2 { CB:63.26 } atom: 552 63N-HB2 B 2.914 ambi=2 { CB:40.651 } :: atom: 546 62S-HB3 B 3.989 ambi=2 { CB:63.26 } atom: 553 63N-HB3 B 2.862 ambi=2 { CB:40.651 } ::sumAvg: 4.045 atom: 552 63N-HB2 B 2.914 ambi=2 { CB:40.651 } atom: 545 62S-HB2 B 4.118 ambi=2 { CB:63.26 } :: atom: 553 63N-HB3 B 2.862 ambi=2 { CB:40.651 } atom: 545 62S-HB2 B 4.118 ambi=2 { CB:63.26 } :: atom: 552 63N-HB2 B 2.914 ambi=2 { CB:40.651 } atom: 546 62S-HB3 B 3.989 ambi=2 { CB:63.26 } :: atom: 553 63N-HB3 B 2.862 ambi=2 { CB:40.651 } atom: 546 62S-HB3 B 3.989 ambi=2 { CB:63.26 } ::sumAvg: 4.045 atom: 545 62S-HB2 B 4.118 ambi=2 { CB:63.26 } atom: 554 63N-HD21 D2 7.584 ambi=2 { ND2:115.048 } :: atom: 545 62S-HB2 B 4.118 ambi=2 { CB:63.26 } atom: 555 63N-HD22 D2 6.765 ambi=2 { ND2:115.048 } :: atom: 546 62S-HB3 B 3.989 ambi=2 { CB:63.26 } atom: 554 63N-HD21 D2 7.584 ambi=2 { ND2:115.048 } :: atom: 546 62S-HB3 B 3.989 ambi=2 { CB:63.26 } atom: 555 63N-HD22 D2 6.765 ambi=2 { ND2:115.048 } ::sumAvg: 4.155 atom: 545 62S-HB2 B 4.118 ambi=2 { CB:63.26 } atom: 594 66V-HB B 1.842 ambi=1 { CB:31.971 } :: atom: 546 62S-HB3 B 3.989 ambi=2 { CB:63.26 } atom: 594 66V-HB B 1.842 ambi=1 { CB:31.971 } ::sumAvg: 4.455 atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } atom: 550 63N-H N 7.522 ambi=1 { N:112.606 } ::sumAvg: 4.115 atom: 551 63N-HA A 4.624 ambi=1 { CA:51.744 } atom: 561 64K-HA A 3.279 ambi=1 { CA:60.434 } ::sumAvg: 4.265 atom: 551 63N-HA A 4.624 ambi=1 { CA:51.744 } atom: 562 64K-HB2 B 1.361 ambi=2 { CB:32.256 } :: atom: 551 63N-HA A 4.624 ambi=1 { CA:51.744 } atom: 563 64K-HB3 B 1.44 ambi=2 { CB:32.256 } ::sumAvg: 4.83 atom: 562 64K-HB2 B 1.361 ambi=2 { CB:32.256 } atom: 551 63N-HA A 4.624 ambi=1 { CA:51.744 } :: atom: 563 64K-HB3 B 1.44 ambi=2 { CB:32.256 } atom: 551 63N-HA A 4.624 ambi=1 { CA:51.744 } ::sumAvg: 4.83 atom: 551 63N-HA A 4.624 ambi=1 { CA:51.744 } atom: 576 65K-H N 7.846 ambi=1 { N:119.363 } ::sumAvg: 4.65 atom: 551 63N-HA A 4.624 ambi=1 { CA:51.744 } atom: 594 66V-HB B 1.842 ambi=1 { CB:31.971 } ::sumAvg: 4.93 atom: 594 66V-HB B 1.842 ambi=1 { CB:31.971 } atom: 551 63N-HA A 4.624 ambi=1 { CA:51.744 } ::sumAvg: 4.93 atom: 551 63N-HA A 4.624 ambi=1 { CA:51.744 } atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } ::sumAvg: 4.695 atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } atom: 551 63N-HA A 4.624 ambi=1 { CA:51.744 } ::sumAvg: 4.695 atom: 552 63N-HB2 B 2.914 ambi=2 { CB:40.651 } atom: 562 64K-HB2 B 1.361 ambi=2 { CB:32.256 } :: atom: 552 63N-HB2 B 2.914 ambi=2 { CB:40.651 } atom: 563 64K-HB3 B 1.44 ambi=2 { CB:32.256 } :: atom: 553 63N-HB3 B 2.862 ambi=2 { CB:40.651 } atom: 562 64K-HB2 B 1.361 ambi=2 { CB:32.256 } :: atom: 553 63N-HB3 B 2.862 ambi=2 { CB:40.651 } atom: 563 64K-HB3 B 1.44 ambi=2 { CB:32.256 } ::sumAvg: 4.34 atom: 552 63N-HB2 B 2.914 ambi=2 { CB:40.651 } atom: 578 65K-HB2 B 1.787 ambi=2 { CB:31.715 } :: atom: 552 63N-HB2 B 2.914 ambi=2 { CB:40.651 } atom: 579 65K-HB3 B 1.735 ambi=2 { CB:31.715 } :: atom: 553 63N-HB3 B 2.862 ambi=2 { CB:40.651 } atom: 578 65K-HB2 B 1.787 ambi=2 { CB:31.715 } :: atom: 553 63N-HB3 B 2.862 ambi=2 { CB:40.651 } atom: 579 65K-HB3 B 1.735 ambi=2 { CB:31.715 } ::sumAvg: 4.685 atom: 552 63N-HB2 B 2.914 ambi=2 { CB:40.651 } atom: 580 65K-HG2 G 1.445 ambi=2 { CG:25.33 } :: atom: 552 63N-HB2 B 2.914 ambi=2 { CB:40.651 } atom: 581 65K-HG3 G 1.263 ambi=2 { CG:25.33 } :: atom: 553 63N-HB3 B 2.862 ambi=2 { CB:40.651 } atom: 580 65K-HG2 G 1.445 ambi=2 { CG:25.33 } :: atom: 553 63N-HB3 B 2.862 ambi=2 { CB:40.651 } atom: 581 65K-HG3 G 1.263 ambi=2 { CG:25.33 } ::sumAvg: 4.895 atom: 552 63N-HB2 B 2.914 ambi=2 { CB:40.651 } atom: 594 66V-HB B 1.842 ambi=1 { CB:31.971 } :: atom: 553 63N-HB3 B 2.862 ambi=2 { CB:40.651 } atom: 594 66V-HB B 1.842 ambi=1 { CB:31.971 } ::sumAvg: 4.755 atom: 594 66V-HB B 1.842 ambi=1 { CB:31.971 } atom: 552 63N-HB2 B 2.914 ambi=2 { CB:40.651 } :: atom: 594 66V-HB B 1.842 ambi=1 { CB:31.971 } atom: 553 63N-HB3 B 2.862 ambi=2 { CB:40.651 } ::sumAvg: 4.755 atom: 582 65K-QD D 1.5785 ambi=2 { CD:28.78 } atom: 554 63N-HD21 D2 7.584 ambi=2 { ND2:115.048 } :: atom: 582 65K-QD D 1.5785 ambi=2 { CD:28.78 } atom: 555 63N-HD22 D2 6.765 ambi=2 { ND2:115.048 } ::sumAvg: 4.8 atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } atom: 560 64K-H N 8.29 ambi=1 { N:119.851 } ::sumAvg: 4.565 atom: 569 64K-QE E 2.742 ambi=2 { CE:41.78 } atom: 561 64K-HA A 3.279 ambi=1 { CA:60.434 } ::sumAvg: 4.595 atom: 577 65K-HA A 3.736 ambi=1 { CA:59.936 } atom: 561 64K-HA A 3.279 ambi=1 { CA:60.434 } ::sumAvg: 4.76 atom: 612 68K-HG2 G 1.367 ambi=2 { CG:25.665 } atom: 561 64K-HA A 3.279 ambi=1 { CA:60.434 } :: atom: 613 68K-HG3 G 0.802 ambi=2 { CG:25.665 } atom: 561 64K-HA A 3.279 ambi=1 { CA:60.434 } ::sumAvg: 4.09 atom: 614 68K-QD D 1.2255 ambi=2 { CD:28.78 } atom: 561 64K-HA A 3.279 ambi=1 { CA:60.434 } ::sumAvg: 4.735 atom: 562 64K-HB2 B 1.361 ambi=2 { CB:32.256 } atom: 577 65K-HA A 3.736 ambi=1 { CA:59.936 } :: atom: 563 64K-HB3 B 1.44 ambi=2 { CB:32.256 } atom: 577 65K-HA A 3.736 ambi=1 { CA:59.936 } ::sumAvg: 4.21 atom: 562 64K-HB2 B 1.361 ambi=2 { CB:32.256 } atom: 578 65K-HB2 B 1.787 ambi=2 { CB:31.715 } ::sumAvg: 4.88 atom: 578 65K-HB2 B 1.787 ambi=2 { CB:31.715 } atom: 562 64K-HB2 B 1.361 ambi=2 { CB:32.256 } ::sumAvg: 4.88 atom: 562 64K-HB2 B 1.361 ambi=2 { CB:32.256 } atom: 613 68K-HG3 G 0.802 ambi=2 { CG:25.665 } :: atom: 563 64K-HB3 B 1.44 ambi=2 { CB:32.256 } atom: 613 68K-HG3 G 0.802 ambi=2 { CG:25.665 } ::sumAvg: 4.38 atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } atom: 564 64K-HG2 G 0.581 ambi=2 { CG:26.138 } :: atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } atom: 565 64K-HG3 G 0.705 ambi=2 { CG:26.138 } ::sumAvg: 4.28 atom: 612 68K-HG2 G 1.367 ambi=2 { CG:25.665 } atom: 564 64K-HG2 G 0.581 ambi=2 { CG:26.138 } :: atom: 612 68K-HG2 G 1.367 ambi=2 { CG:25.665 } atom: 565 64K-HG3 G 0.705 ambi=2 { CG:26.138 } ::sumAvg: 4.2 atom: 614 68K-QD D 1.2255 ambi=2 { CD:28.78 } atom: 569 64K-QE E 2.742 ambi=2 { CE:41.78 } ::sumAvg: 4.635 atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } atom: 576 65K-H N 7.846 ambi=1 { N:119.363 } ::sumAvg: 4.68 atom: 610 68K-HB2 B 1.602 ambi=2 { CB:32.096 } atom: 576 65K-H N 7.846 ambi=1 { N:119.363 } :: atom: 611 68K-HB3 B 1.292 ambi=2 { CB:32.096 } atom: 576 65K-H N 7.846 ambi=1 { N:119.363 } ::sumAvg: 4.925 atom: 614 68K-QD D 1.2255 ambi=2 { CD:28.78 } atom: 576 65K-H N 7.846 ambi=1 { N:119.363 } ::sumAvg: 4.375 atom: 577 65K-HA A 3.736 ambi=1 { CA:59.936 } atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } ::sumAvg: 4.965 atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } atom: 577 65K-HA A 3.736 ambi=1 { CA:59.936 } ::sumAvg: 4.965 atom: 577 65K-HA A 3.736 ambi=1 { CA:59.936 } atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } ::sumAvg: 4.9 atom: 578 65K-HB2 B 1.787 ambi=2 { CB:31.715 } atom: 593 66V-HA A 3.61 ambi=1 { CA:65.201 } :: atom: 579 65K-HB3 B 1.735 ambi=2 { CB:31.715 } atom: 593 66V-HA A 3.61 ambi=1 { CA:65.201 } ::sumAvg: 4.37 atom: 578 65K-HB2 B 1.787 ambi=2 { CB:31.715 } atom: 595 66V-HG1 G1 1.116 ambi=2 { CG1:21.65 } :: atom: 578 65K-HB2 B 1.787 ambi=2 { CB:31.715 } atom: 596 66V-HG2 G2 1.041 ambi=2 { CG2:22.54 } :: atom: 579 65K-HB3 B 1.735 ambi=2 { CB:31.715 } atom: 595 66V-HG1 G1 1.116 ambi=2 { CG1:21.65 } :: atom: 579 65K-HB3 B 1.735 ambi=2 { CB:31.715 } atom: 596 66V-HG2 G2 1.041 ambi=2 { CG2:22.54 } ::sumAvg: 3.295 atom: 611 68K-HB3 B 1.292 ambi=2 { CB:32.096 } atom: 578 65K-HB2 B 1.787 ambi=2 { CB:31.715 } :: atom: 611 68K-HB3 B 1.292 ambi=2 { CB:32.096 } atom: 579 65K-HB3 B 1.735 ambi=2 { CB:31.715 } ::sumAvg: 4.465 atom: 614 68K-QD D 1.2255 ambi=2 { CD:28.78 } atom: 578 65K-HB2 B 1.787 ambi=2 { CB:31.715 } :: atom: 614 68K-QD D 1.2255 ambi=2 { CD:28.78 } atom: 579 65K-HB3 B 1.735 ambi=2 { CB:31.715 } ::sumAvg: 4.535 atom: 578 65K-HB2 B 1.787 ambi=2 { CB:31.715 } atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } ::sumAvg: 4.71 atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } atom: 578 65K-HB2 B 1.787 ambi=2 { CB:31.715 } ::sumAvg: 4.71 atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } atom: 592 66V-H N 8.261 ambi=1 { N:120.889 } ::sumAvg: 4.32 atom: 610 68K-HB2 B 1.602 ambi=2 { CB:32.096 } atom: 592 66V-H N 8.261 ambi=1 { N:120.889 } :: atom: 611 68K-HB3 B 1.292 ambi=2 { CB:32.096 } atom: 592 66V-H N 8.261 ambi=1 { N:120.889 } ::sumAvg: 4.86 atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } atom: 592 66V-H N 8.261 ambi=1 { N:120.889 } ::sumAvg: 4.665 atom: 593 66V-HA A 3.61 ambi=1 { CA:65.201 } atom: 610 68K-HB2 B 1.602 ambi=2 { CB:32.096 } :: atom: 593 66V-HA A 3.61 ambi=1 { CA:65.201 } atom: 611 68K-HB3 B 1.292 ambi=2 { CB:32.096 } ::sumAvg: 4.98 atom: 610 68K-HB2 B 1.602 ambi=2 { CB:32.096 } atom: 593 66V-HA A 3.61 ambi=1 { CA:65.201 } :: atom: 611 68K-HB3 B 1.292 ambi=2 { CB:32.096 } atom: 593 66V-HA A 3.61 ambi=1 { CA:65.201 } ::sumAvg: 4.98 atom: 593 66V-HA A 3.61 ambi=1 { CA:65.201 } atom: 634 70Y-QD D 7.329 ambi=3 { CD1:132.797 CD2:132.996 } ::sumAvg: 4.345 atom: 634 70Y-QD D 7.329 ambi=3 { CD1:132.797 CD2:132.996 } atom: 593 66V-HA A 3.61 ambi=1 { CA:65.201 } ::sumAvg: 4.345 atom: 594 66V-HB B 1.842 ambi=1 { CB:31.971 } atom: 603 67A-HA A 3.8 ambi=1 { CA:55.5 } ::sumAvg: 4.45 atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } atom: 594 66V-HB B 1.842 ambi=1 { CB:31.971 } ::sumAvg: 4.095 atom: 634 70Y-QD D 7.329 ambi=3 { CD1:132.797 CD2:132.996 } atom: 594 66V-HB B 1.842 ambi=1 { CB:31.971 } ::sumAvg: 4.495 atom: 612 68K-HG2 G 1.367 ambi=2 { CG:25.665 } atom: 602 67A-H N 7.414 ambi=1 { N:121.317 } :: atom: 613 68K-HG3 G 0.802 ambi=2 { CG:25.665 } atom: 602 67A-H N 7.414 ambi=1 { N:121.317 } ::sumAvg: 4.925 atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } atom: 602 67A-H N 7.414 ambi=1 { N:121.317 } ::sumAvg: 4.69 atom: 603 67A-HA A 3.8 ambi=1 { CA:55.5 } atom: 647 71A-HB B 1.52 ambi=1 { CB:16.945 } ::sumAvg: 4.79 atom: 647 71A-HB B 1.52 ambi=1 { CB:16.945 } atom: 603 67A-HA A 3.8 ambi=1 { CA:55.5 } ::sumAvg: 4.79 atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } atom: 609 68K-HA A 3.538 ambi=1 { CA:60.078 } ::sumAvg: 3.97 atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } atom: 624 69A-H N 7.521 ambi=1 { N:119.816 } ::sumAvg: 4.495 atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } atom: 630 70Y-H N 8.334 ambi=1 { N:115.273 } ::sumAvg: 4.585 atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } atom: 645 71A-H N 8.128 ambi=1 { N:126.458 } ::sumAvg: 4.555 atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } atom: 608 68K-H N 7.98 ambi=1 { N:115.457 } ::sumAvg: 4.37 atom: 609 68K-HA A 3.538 ambi=1 { CA:60.078 } atom: 616 68K-HE2 E 2.225 ambi=2 { CE:40.796 } :: atom: 609 68K-HA A 3.538 ambi=1 { CA:60.078 } atom: 617 68K-HE3 E 1.987 ambi=2 { CE:40.796 } ::sumAvg: 4.485 atom: 653 72A-HB B 1.493 ambi=1 { CB:17.662 } atom: 609 68K-HA A 3.538 ambi=1 { CA:60.078 } ::sumAvg: 4.545 atom: 610 68K-HB2 B 1.602 ambi=2 { CB:32.096 } atom: 625 69A-HA A 3.868 ambi=1 { CA:55.246 } :: atom: 611 68K-HB3 B 1.292 ambi=2 { CB:32.096 } atom: 625 69A-HA A 3.868 ambi=1 { CA:55.246 } ::sumAvg: 4.205 atom: 625 69A-HA A 3.868 ambi=1 { CA:55.246 } atom: 610 68K-HB2 B 1.602 ambi=2 { CB:32.096 } :: atom: 625 69A-HA A 3.868 ambi=1 { CA:55.246 } atom: 611 68K-HB3 B 1.292 ambi=2 { CB:32.096 } ::sumAvg: 4.205 atom: 610 68K-HB2 B 1.602 ambi=2 { CB:32.096 } atom: 651 72A-H N 8.347 ambi=1 { N:118.235 } :: atom: 611 68K-HB3 B 1.292 ambi=2 { CB:32.096 } atom: 651 72A-H N 8.347 ambi=1 { N:118.235 } ::sumAvg: 4.715 atom: 613 68K-HG3 G 0.802 ambi=2 { CG:25.665 } atom: 647 71A-HB B 1.52 ambi=1 { CB:16.945 } ::sumAvg: 4.19 atom: 632 70Y-HB2 B 2.984 ambi=2 { CB:37.489 } atom: 624 69A-H N 7.521 ambi=1 { N:119.816 } :: atom: 633 70Y-HB3 B 3.319 ambi=2 { CB:37.489 } atom: 624 69A-H N 7.521 ambi=1 { N:119.816 } ::sumAvg: 4.68 atom: 625 69A-HA A 3.868 ambi=1 { CA:55.246 } atom: 631 70Y-HA A 4.398 ambi=1 { CA:61.488 } ::sumAvg: 4.77 atom: 631 70Y-HA A 4.398 ambi=1 { CA:61.488 } atom: 625 69A-HA A 3.868 ambi=1 { CA:55.246 } ::sumAvg: 4.77 atom: 647 71A-HB B 1.52 ambi=1 { CB:16.945 } atom: 625 69A-HA A 3.868 ambi=1 { CA:55.246 } ::sumAvg: 4.935 atom: 625 69A-HA A 3.868 ambi=1 { CA:55.246 } atom: 661 73L-HG G 1.618 ambi=1 { CG:26.718 } ::sumAvg: 4.275 atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } atom: 632 70Y-HB2 B 2.984 ambi=2 { CB:37.489 } :: atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } atom: 633 70Y-HB3 B 3.319 ambi=2 { CB:37.489 } ::sumAvg: 4.335 atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } atom: 634 70Y-QD D 7.329 ambi=3 { CD1:132.797 CD2:132.996 } ::sumAvg: 3.735 atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } atom: 636 70Y-QE E 6.802 ambi=3 { CE1:117.898 } ::sumAvg: 4.615 atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } atom: 657 73L-H N 8.575 ambi=1 { N:117.616 } ::sumAvg: 4.515 atom: 631 70Y-HA A 4.398 ambi=1 { CA:61.488 } atom: 646 71A-HA A 3.966 ambi=1 { CA:55.371 } ::sumAvg: 4.8 atom: 631 70Y-HA A 4.398 ambi=1 { CA:61.488 } atom: 653 72A-HB B 1.493 ambi=1 { CB:17.662 } ::sumAvg: 4.89 atom: 653 72A-HB B 1.493 ambi=1 { CB:17.662 } atom: 631 70Y-HA A 4.398 ambi=1 { CA:61.488 } ::sumAvg: 4.89 atom: 631 70Y-HA A 4.398 ambi=1 { CA:61.488 } atom: 661 73L-HG G 1.618 ambi=1 { CG:26.718 } ::sumAvg: 3.81 atom: 672 74A-HB B 1.775 ambi=1 { CB:17.662 } atom: 631 70Y-HA A 4.398 ambi=1 { CA:61.488 } ::sumAvg: 4.67 atom: 659 73L-HB2 B 1.753 ambi=2 { CB:42.296 } atom: 632 70Y-HB2 B 2.984 ambi=2 { CB:37.489 } :: atom: 660 73L-HB3 B 1.671 ambi=2 { CB:42.296 } atom: 632 70Y-HB2 B 2.984 ambi=2 { CB:37.489 } :: atom: 659 73L-HB2 B 1.753 ambi=2 { CB:42.296 } atom: 633 70Y-HB3 B 3.319 ambi=2 { CB:37.489 } :: atom: 660 73L-HB3 B 1.671 ambi=2 { CB:42.296 } atom: 633 70Y-HB3 B 3.319 ambi=2 { CB:37.489 } ::sumAvg: 4.585 atom: 632 70Y-HB2 B 2.984 ambi=2 { CB:37.489 } atom: 670 74A-H N 7.8 ambi=1 { N:121.011 } :: atom: 633 70Y-HB3 B 3.319 ambi=2 { CB:37.489 } atom: 670 74A-H N 7.8 ambi=1 { N:121.011 } ::sumAvg: 4.935 atom: 672 74A-HB B 1.775 ambi=1 { CB:17.662 } atom: 632 70Y-HB2 B 2.984 ambi=2 { CB:37.489 } :: atom: 672 74A-HB B 1.775 ambi=1 { CB:17.662 } atom: 633 70Y-HB3 B 3.319 ambi=2 { CB:37.489 } ::sumAvg: 4.36 atom: 634 70Y-QD D 7.329 ambi=3 { CD1:132.797 CD2:132.996 } atom: 645 71A-H N 8.128 ambi=1 { N:126.458 } ::sumAvg: 4.525 atom: 659 73L-HB2 B 1.753 ambi=2 { CB:42.296 } atom: 645 71A-H N 8.128 ambi=1 { N:126.458 } :: atom: 660 73L-HB3 B 1.671 ambi=2 { CB:42.296 } atom: 645 71A-H N 8.128 ambi=1 { N:126.458 } ::sumAvg: 4.98 atom: 672 74A-HB B 1.775 ambi=1 { CB:17.662 } atom: 645 71A-H N 8.128 ambi=1 { N:126.458 } ::sumAvg: 4.645 atom: 658 73L-HA A 3.912 ambi=1 { CA:57.607 } atom: 686 76L-HG G 1.807 ambi=1 { CG:26.77 } ::sumAvg: 3.66 atom: 658 73L-HA A 3.912 ambi=1 { CA:57.607 } atom: 699 77E-HG2 G 2.218 ambi=2 { CG:36.554 } :: atom: 658 73L-HA A 3.912 ambi=1 { CA:57.607 } atom: 700 77E-HG3 G 2.458 ambi=2 { CG:36.554 } ::sumAvg: 3.63 atom: 659 73L-HB2 B 1.753 ambi=2 { CB:42.296 } atom: 671 74A-HA A 4.149 ambi=1 { CA:54.741 } :: atom: 660 73L-HB3 B 1.671 ambi=2 { CB:42.296 } atom: 671 74A-HA A 4.149 ambi=1 { CA:54.741 } ::sumAvg: 4.345 atom: 687 76L-HD1 D1 0.88 ambi=2 { CD1:26 } atom: 659 73L-HB2 B 1.753 ambi=2 { CB:42.296 } :: atom: 688 76L-HD2 D2 0.715 ambi=2 { CD2:23.374 } atom: 659 73L-HB2 B 1.753 ambi=2 { CB:42.296 } :: atom: 687 76L-HD1 D1 0.88 ambi=2 { CD1:26 } atom: 660 73L-HB3 B 1.671 ambi=2 { CB:42.296 } :: atom: 688 76L-HD2 D2 0.715 ambi=2 { CD2:23.374 } atom: 660 73L-HB3 B 1.671 ambi=2 { CB:42.296 } ::sumAvg: 4.665 atom: 659 73L-HB2 B 1.753 ambi=2 { CB:42.296 } atom: 695 77E-H N 8.262 ambi=1 { N:115.676 } :: atom: 660 73L-HB3 B 1.671 ambi=2 { CB:42.296 } atom: 695 77E-H N 8.262 ambi=1 { N:115.676 } ::sumAvg: 4.56 atom: 659 73L-HB2 B 1.753 ambi=2 { CB:42.296 } atom: 699 77E-HG2 G 2.218 ambi=2 { CG:36.554 } :: atom: 659 73L-HB2 B 1.753 ambi=2 { CB:42.296 } atom: 700 77E-HG3 G 2.458 ambi=2 { CG:36.554 } :: atom: 660 73L-HB3 B 1.671 ambi=2 { CB:42.296 } atom: 699 77E-HG2 G 2.218 ambi=2 { CG:36.554 } :: atom: 660 73L-HB3 B 1.671 ambi=2 { CB:42.296 } atom: 700 77E-HG3 G 2.458 ambi=2 { CG:36.554 } ::sumAvg: 3.255 atom: 699 77E-HG2 G 2.218 ambi=2 { CG:36.554 } atom: 659 73L-HB2 B 1.753 ambi=2 { CB:42.296 } :: atom: 700 77E-HG3 G 2.458 ambi=2 { CG:36.554 } atom: 659 73L-HB2 B 1.753 ambi=2 { CB:42.296 } :: atom: 699 77E-HG2 G 2.218 ambi=2 { CG:36.554 } atom: 660 73L-HB3 B 1.671 ambi=2 { CB:42.296 } :: atom: 700 77E-HG3 G 2.458 ambi=2 { CG:36.554 } atom: 660 73L-HB3 B 1.671 ambi=2 { CB:42.296 } ::sumAvg: 3.255 atom: 684 76L-HB2 B 1.946 ambi=2 { CB:41.917 } atom: 670 74A-H N 7.8 ambi=1 { N:121.011 } :: atom: 685 76L-HB3 B 1.462 ambi=2 { CB:41.917 } atom: 670 74A-H N 7.8 ambi=1 { N:121.011 } ::sumAvg: 4.875 atom: 707 78K-HB2 B 1.994 ambi=2 { CB:33.269 } atom: 671 74A-HA A 4.149 ambi=1 { CA:54.741 } :: atom: 708 78K-HB3 B 1.87 ambi=2 { CB:33.269 } atom: 671 74A-HA A 4.149 ambi=1 { CA:54.741 } ::sumAvg: 4.68 atom: 723 79L-HB2 B 1.251 ambi=2 { CB:42.761 } atom: 677 75A-HA A 2.052 ambi=1 { CA:53.885 } :: atom: 724 79L-HB3 B 0.375 ambi=2 { CB:42.761 } atom: 677 75A-HA A 2.052 ambi=1 { CA:53.885 } ::sumAvg: 4.42 atom: 725 79L-HG G 1.475 ambi=1 { CG:26.77 } atom: 677 75A-HA A 2.052 ambi=1 { CA:53.885 } ::sumAvg: 3.36 atom: 678 75A-HB B 0.868 ambi=1 { CB:19.181 } atom: 724 79L-HB3 B 0.375 ambi=2 { CB:42.761 } ::sumAvg: 4.02 atom: 724 79L-HB3 B 0.375 ambi=2 { CB:42.761 } atom: 678 75A-HB B 0.868 ambi=1 { CB:19.181 } ::sumAvg: 4.02 atom: 725 79L-HG G 1.475 ambi=1 { CG:26.77 } atom: 678 75A-HB B 0.868 ambi=1 { CB:19.181 } ::sumAvg: 3.79 atom: 678 75A-HB B 0.868 ambi=1 { CB:19.181 } atom: 740 80F-QE E 7.029 ambi=3 { CE1:130.379 CE2:130.6 } ::sumAvg: 4.18 atom: 740 80F-QE E 7.029 ambi=3 { CE1:130.379 CE2:130.6 } atom: 678 75A-HB B 0.868 ambi=1 { CB:19.181 } ::sumAvg: 4.18 atom: 697 77E-HB2 B 1.959 ambi=2 { CB:29.431 } atom: 682 76L-H N 8.543 ambi=1 { N:118.141 } :: atom: 698 77E-HB3 B 2.067 ambi=2 { CB:29.431 } atom: 682 76L-H N 8.543 ambi=1 { N:118.141 } ::sumAvg: 4.76 atom: 723 79L-HB2 B 1.251 ambi=2 { CB:42.761 } atom: 683 76L-HA A 3.94 ambi=1 { CA:58.157 } :: atom: 724 79L-HB3 B 0.375 ambi=2 { CB:42.761 } atom: 683 76L-HA A 3.94 ambi=1 { CA:58.157 } ::sumAvg: 3.51 atom: 684 76L-HB2 B 1.946 ambi=2 { CB:41.917 } atom: 700 77E-HG3 G 2.458 ambi=2 { CG:36.554 } :: atom: 685 76L-HB3 B 1.462 ambi=2 { CB:41.917 } atom: 699 77E-HG2 G 2.218 ambi=2 { CG:36.554 } :: atom: 685 76L-HB3 B 1.462 ambi=2 { CB:41.917 } atom: 700 77E-HG3 G 2.458 ambi=2 { CG:36.554 } ::sumAvg: 3.645 atom: 684 76L-HB2 B 1.946 ambi=2 { CB:41.917 } atom: 734 80F-H N 7.864 ambi=1 { N:116.554 } :: atom: 685 76L-HB3 B 1.462 ambi=2 { CB:41.917 } atom: 734 80F-H N 7.864 ambi=1 { N:116.554 } ::sumAvg: 4.635 atom: 684 76L-HB2 B 1.946 ambi=2 { CB:41.917 } atom: 736 80F-HB2 B 3.178 ambi=2 { CB:38.945 } :: atom: 684 76L-HB2 B 1.946 ambi=2 { CB:41.917 } atom: 737 80F-HB3 B 2.91 ambi=2 { CB:38.945 } :: atom: 685 76L-HB3 B 1.462 ambi=2 { CB:41.917 } atom: 736 80F-HB2 B 3.178 ambi=2 { CB:38.945 } :: atom: 685 76L-HB3 B 1.462 ambi=2 { CB:41.917 } atom: 737 80F-HB3 B 2.91 ambi=2 { CB:38.945 } ::sumAvg: 3.62 atom: 736 80F-HB2 B 3.178 ambi=2 { CB:38.945 } atom: 684 76L-HB2 B 1.946 ambi=2 { CB:41.917 } :: atom: 737 80F-HB3 B 2.91 ambi=2 { CB:38.945 } atom: 684 76L-HB2 B 1.946 ambi=2 { CB:41.917 } :: atom: 736 80F-HB2 B 3.178 ambi=2 { CB:38.945 } atom: 685 76L-HB3 B 1.462 ambi=2 { CB:41.917 } :: atom: 737 80F-HB3 B 2.91 ambi=2 { CB:38.945 } atom: 685 76L-HB3 B 1.462 ambi=2 { CB:41.917 } ::sumAvg: 3.62 atom: 707 78K-HB2 B 1.994 ambi=2 { CB:33.269 } atom: 695 77E-H N 8.262 ambi=1 { N:115.676 } :: atom: 708 78K-HB3 B 1.87 ambi=2 { CB:33.269 } atom: 695 77E-H N 8.262 ambi=1 { N:115.676 } ::sumAvg: 4.835 atom: 696 77E-HA A 3.87 ambi=1 { CA:58.493 } atom: 721 79L-H N 8.194 ambi=1 { N:115.31 } ::sumAvg: 4.745 atom: 696 77E-HA A 3.87 ambi=1 { CA:58.493 } atom: 756 81P-HD2 D 3.383 ambi=2 { CD:50.056 } :: atom: 696 77E-HA A 3.87 ambi=1 { CA:58.493 } atom: 757 81P-HD3 D 3.156 ambi=2 { CD:50.056 } ::sumAvg: 4.55 atom: 756 81P-HD2 D 3.383 ambi=2 { CD:50.056 } atom: 696 77E-HA A 3.87 ambi=1 { CA:58.493 } :: atom: 757 81P-HD3 D 3.156 ambi=2 { CD:50.056 } atom: 696 77E-HA A 3.87 ambi=1 { CA:58.493 } ::sumAvg: 4.55 atom: 697 77E-HB2 B 1.959 ambi=2 { CB:29.431 } atom: 706 78K-HA A 4.256 ambi=1 { CA:56.847 } :: atom: 698 77E-HB3 B 2.067 ambi=2 { CB:29.431 } atom: 706 78K-HA A 4.256 ambi=1 { CA:56.847 } ::sumAvg: 4.355 atom: 706 78K-HA A 4.256 ambi=1 { CA:56.847 } atom: 734 80F-H N 7.864 ambi=1 { N:116.554 } ::sumAvg: 4.84 atom: 754 81P-HG2 G 1.86 ambi=2 { CG:27.14 } atom: 706 78K-HA A 4.256 ambi=1 { CA:56.847 } :: atom: 755 81P-HG3 G 1.92 ambi=2 { CG:27.14 } atom: 706 78K-HA A 4.256 ambi=1 { CA:56.847 } ::sumAvg: 4.87 atom: 706 78K-HA A 4.256 ambi=1 { CA:56.847 } atom: 756 81P-HD2 D 3.383 ambi=2 { CD:50.056 } :: atom: 706 78K-HA A 4.256 ambi=1 { CA:56.847 } atom: 757 81P-HD3 D 3.156 ambi=2 { CD:50.056 } ::sumAvg: 4.255 atom: 756 81P-HD2 D 3.383 ambi=2 { CD:50.056 } atom: 706 78K-HA A 4.256 ambi=1 { CA:56.847 } :: atom: 757 81P-HD3 D 3.156 ambi=2 { CD:50.056 } atom: 706 78K-HA A 4.256 ambi=1 { CA:56.847 } ::sumAvg: 4.255 atom: 707 78K-HB2 B 1.994 ambi=2 { CB:33.269 } atom: 723 79L-HB2 B 1.251 ambi=2 { CB:42.761 } :: atom: 707 78K-HB2 B 1.994 ambi=2 { CB:33.269 } atom: 724 79L-HB3 B 0.375 ambi=2 { CB:42.761 } :: atom: 708 78K-HB3 B 1.87 ambi=2 { CB:33.269 } atom: 723 79L-HB2 B 1.251 ambi=2 { CB:42.761 } :: atom: 708 78K-HB3 B 1.87 ambi=2 { CB:33.269 } atom: 724 79L-HB3 B 0.375 ambi=2 { CB:42.761 } ::sumAvg: 4.32 atom: 725 79L-HG G 1.475 ambi=1 { CG:26.77 } atom: 707 78K-HB2 B 1.994 ambi=2 { CB:33.269 } ::sumAvg: 2.6 atom: 707 78K-HB2 B 1.994 ambi=2 { CB:33.269 } atom: 734 80F-H N 7.864 ambi=1 { N:116.554 } :: atom: 708 78K-HB3 B 1.87 ambi=2 { CB:33.269 } atom: 734 80F-H N 7.864 ambi=1 { N:116.554 } ::sumAvg: 4.85 atom: 711 78K-HD2 D 1.921 ambi=2 { CD:28.247 } atom: 723 79L-HB2 B 1.251 ambi=2 { CB:42.761 } :: atom: 711 78K-HD2 D 1.921 ambi=2 { CD:28.247 } atom: 724 79L-HB3 B 0.375 ambi=2 { CB:42.761 } :: atom: 712 78K-HD3 D 1.783 ambi=2 { CD:28.247 } atom: 723 79L-HB2 B 1.251 ambi=2 { CB:42.761 } :: atom: 712 78K-HD3 D 1.783 ambi=2 { CD:28.247 } atom: 724 79L-HB3 B 0.375 ambi=2 { CB:42.761 } ::sumAvg: 4.96 atom: 723 79L-HB2 B 1.251 ambi=2 { CB:42.761 } atom: 711 78K-HD2 D 1.921 ambi=2 { CD:28.247 } :: atom: 724 79L-HB3 B 0.375 ambi=2 { CB:42.761 } atom: 711 78K-HD2 D 1.921 ambi=2 { CD:28.247 } :: atom: 723 79L-HB2 B 1.251 ambi=2 { CB:42.761 } atom: 712 78K-HD3 D 1.783 ambi=2 { CD:28.247 } :: atom: 724 79L-HB3 B 0.375 ambi=2 { CB:42.761 } atom: 712 78K-HD3 D 1.783 ambi=2 { CD:28.247 } ::sumAvg: 4.96 atom: 725 79L-HG G 1.475 ambi=1 { CG:26.77 } atom: 711 78K-HD2 D 1.921 ambi=2 { CD:28.247 } ::sumAvg: 2.91 atom: 714 78K-QE E 3.0895 ambi=2 { CE:42.211 } atom: 722 79L-HA A 4.006 ambi=1 { CA:55.458 } ::sumAvg: 4.835 atom: 722 79L-HA A 4.006 ambi=1 { CA:55.458 } atom: 714 78K-QE E 3.0895 ambi=2 { CE:42.211 } ::sumAvg: 4.835 atom: 725 79L-HG G 1.475 ambi=1 { CG:26.77 } atom: 714 78K-QE E 3.0895 ambi=2 { CE:42.211 } ::sumAvg: 4.625 atom: 736 80F-HB2 B 3.178 ambi=2 { CB:38.945 } atom: 721 79L-H N 8.194 ambi=1 { N:115.31 } :: atom: 737 80F-HB3 B 2.91 ambi=2 { CB:38.945 } atom: 721 79L-H N 8.194 ambi=1 { N:115.31 } ::sumAvg: 4.85 atom: 735 80F-HA A 5.049 ambi=1 { CA:54.371 } atom: 722 79L-HA A 4.006 ambi=1 { CA:55.458 } ::sumAvg: 4.565 atom: 738 80F-QD D 7.201 ambi=3 { CD2:132.953 } atom: 722 79L-HA A 4.006 ambi=1 { CA:55.458 } ::sumAvg: 4.88 atom: 735 80F-HA A 5.049 ambi=1 { CA:54.371 } atom: 723 79L-HB2 B 1.251 ambi=2 { CB:42.761 } :: atom: 735 80F-HA A 5.049 ambi=1 { CA:54.371 } atom: 724 79L-HB3 B 0.375 ambi=2 { CB:42.761 } ::sumAvg: 4.73 atom: 723 79L-HB2 B 1.251 ambi=2 { CB:42.761 } atom: 736 80F-HB2 B 3.178 ambi=2 { CB:38.945 } :: atom: 723 79L-HB2 B 1.251 ambi=2 { CB:42.761 } atom: 737 80F-HB3 B 2.91 ambi=2 { CB:38.945 } :: atom: 724 79L-HB3 B 0.375 ambi=2 { CB:42.761 } atom: 736 80F-HB2 B 3.178 ambi=2 { CB:38.945 } :: atom: 724 79L-HB3 B 0.375 ambi=2 { CB:42.761 } atom: 737 80F-HB3 B 2.91 ambi=2 { CB:38.945 } ::sumAvg: 4.325 atom: 736 80F-HB2 B 3.178 ambi=2 { CB:38.945 } atom: 723 79L-HB2 B 1.251 ambi=2 { CB:42.761 } :: atom: 737 80F-HB3 B 2.91 ambi=2 { CB:38.945 } atom: 723 79L-HB2 B 1.251 ambi=2 { CB:42.761 } :: atom: 736 80F-HB2 B 3.178 ambi=2 { CB:38.945 } atom: 724 79L-HB3 B 0.375 ambi=2 { CB:42.761 } :: atom: 737 80F-HB3 B 2.91 ambi=2 { CB:38.945 } atom: 724 79L-HB3 B 0.375 ambi=2 { CB:42.761 } ::sumAvg: 4.325 atom: 740 80F-QE E 7.029 ambi=3 { CE1:130.379 CE2:130.6 } atom: 734 80F-H N 7.864 ambi=1 { N:116.554 } ::sumAvg: 4.875 atom: 751 81P-HA A 4.414 ambi=1 { CA:63.401 } atom: 734 80F-H N 7.864 ambi=1 { N:116.554 } ::sumAvg: 4.39 atom: 754 81P-HG2 G 1.86 ambi=2 { CG:27.14 } atom: 734 80F-H N 7.864 ambi=1 { N:116.554 } :: atom: 755 81P-HG3 G 1.92 ambi=2 { CG:27.14 } atom: 734 80F-H N 7.864 ambi=1 { N:116.554 } ::sumAvg: 4.895 atom: 735 80F-HA A 5.049 ambi=1 { CA:54.371 } atom: 751 81P-HA A 4.414 ambi=1 { CA:63.401 } ::sumAvg: 4.75 atom: 751 81P-HA A 4.414 ambi=1 { CA:63.401 } atom: 735 80F-HA A 5.049 ambi=1 { CA:54.371 } ::sumAvg: 4.75 atom: 735 80F-HA A 5.049 ambi=1 { CA:54.371 } atom: 754 81P-HG2 G 1.86 ambi=2 { CG:27.14 } :: atom: 735 80F-HA A 5.049 ambi=1 { CA:54.371 } atom: 755 81P-HG3 G 1.92 ambi=2 { CG:27.14 } ::sumAvg: 4.56 atom: 735 80F-HA A 5.049 ambi=1 { CA:54.371 } atom: 762 82D-H N 8.541 ambi=1 { N:120.095 } ::sumAvg: 3.505 atom: 756 81P-HD2 D 3.383 ambi=2 { CD:50.056 } atom: 737 80F-HB3 B 2.91 ambi=2 { CB:38.945 } ::sumAvg: 4.6 atom: 736 80F-HB2 B 3.178 ambi=2 { CB:38.945 } atom: 762 82D-H N 8.541 ambi=1 { N:120.095 } :: atom: 737 80F-HB3 B 2.91 ambi=2 { CB:38.945 } atom: 762 82D-H N 8.541 ambi=1 { N:120.095 } ::sumAvg: 4.335 atom: 751 81P-HA A 4.414 ambi=1 { CA:63.401 } atom: 764 82D-HB2 B 2.685 ambi=2 { CB:40.819 } :: atom: 751 81P-HA A 4.414 ambi=1 { CA:63.401 } atom: 765 82D-HB3 B 2.594 ambi=2 { CB:40.819 } ::sumAvg: 4.515 atom: 751 81P-HA A 4.414 ambi=1 { CA:63.401 } atom: 772 83T-HG2 G2 1.212 ambi=1 { CG2:21.06 } ::sumAvg: 4.63 atom: 772 83T-HG2 G2 1.212 ambi=1 { CG2:21.06 } atom: 751 81P-HA A 4.414 ambi=1 { CA:63.401 } ::sumAvg: 4.63 atom: 752 81P-HB2 B 2.293 ambi=2 { CB:31.471 } atom: 763 82D-HA A 4.619 ambi=1 { CA:54.191 } :: atom: 753 81P-HB3 B 1.97 ambi=2 { CB:31.471 } atom: 763 82D-HA A 4.619 ambi=1 { CA:54.191 } ::sumAvg: 4.8 atom: 752 81P-HB2 B 2.293 ambi=2 { CB:31.471 } atom: 772 83T-HG2 G2 1.212 ambi=1 { CG2:21.06 } :: atom: 753 81P-HB3 B 1.97 ambi=2 { CB:31.471 } atom: 772 83T-HG2 G2 1.212 ambi=1 { CG2:21.06 } ::sumAvg: 3.895 atom: 772 83T-HG2 G2 1.212 ambi=1 { CG2:21.06 } atom: 752 81P-HB2 B 2.293 ambi=2 { CB:31.471 } :: atom: 772 83T-HG2 G2 1.212 ambi=1 { CG2:21.06 } atom: 753 81P-HB3 B 1.97 ambi=2 { CB:31.471 } ::sumAvg: 3.895 atom: 754 81P-HG2 G 1.86 ambi=2 { CG:27.14 } atom: 769 83T-H N 8.074 ambi=1 { N:116.492 } :: atom: 755 81P-HG3 G 1.92 ambi=2 { CG:27.14 } atom: 769 83T-H N 8.074 ambi=1 { N:116.492 } ::sumAvg: 4.18 atom: 756 81P-HD2 D 3.383 ambi=2 { CD:50.056 } atom: 763 82D-HA A 4.619 ambi=1 { CA:54.191 } :: atom: 757 81P-HD3 D 3.156 ambi=2 { CD:50.056 } atom: 763 82D-HA A 4.619 ambi=1 { CA:54.191 } ::sumAvg: 4.91 atom: 763 82D-HA A 4.619 ambi=1 { CA:54.191 } atom: 756 81P-HD2 D 3.383 ambi=2 { CD:50.056 } :: atom: 763 82D-HA A 4.619 ambi=1 { CA:54.191 } atom: 757 81P-HD3 D 3.156 ambi=2 { CD:50.056 } ::sumAvg: 4.91 atom: 772 83T-HG2 G2 1.212 ambi=1 { CG2:21.06 } atom: 762 82D-H N 8.541 ambi=1 { N:120.095 } ::sumAvg: 4.735 atom: 763 82D-HA A 4.619 ambi=1 { CA:54.191 } atom: 772 83T-HG2 G2 1.212 ambi=1 { CG2:21.06 } ::sumAvg: 4.705 atom: 772 83T-HG2 G2 1.212 ambi=1 { CG2:21.06 } atom: 763 82D-HA A 4.619 ambi=1 { CA:54.191 } ::sumAvg: 4.705 atom: 770 83T-HA A 4.567 ambi=1 { CA:59.454 } atom: 764 82D-HB2 B 2.685 ambi=2 { CB:40.819 } :: atom: 770 83T-HA A 4.567 ambi=1 { CA:59.454 } atom: 765 82D-HB3 B 2.594 ambi=2 { CB:40.819 } ::sumAvg: 4.54 atom: 764 82D-HB2 B 2.685 ambi=2 { CB:40.819 } atom: 772 83T-HG2 G2 1.212 ambi=1 { CG2:21.06 } :: atom: 765 82D-HB3 B 2.594 ambi=2 { CB:40.819 } atom: 772 83T-HG2 G2 1.212 ambi=1 { CG2:21.06 } ::sumAvg: 4.005 atom: 772 83T-HG2 G2 1.212 ambi=1 { CG2:21.06 } atom: 764 82D-HB2 B 2.685 ambi=2 { CB:40.819 } :: atom: 772 83T-HG2 G2 1.212 ambi=1 { CG2:21.06 } atom: 765 82D-HB3 B 2.594 ambi=2 { CB:40.819 } ::sumAvg: 4.005 atom: 771 83T-HB B 4.124 ambi=1 { CB:69.709 } atom: 778 84P-HB2 B 2.254 ambi=2 { CB:31.386 } :: atom: 771 83T-HB B 4.124 ambi=1 { CB:69.709 } atom: 779 84P-HB3 B 1.854 ambi=2 { CB:31.386 } ::sumAvg: 4.995 atom: 778 84P-HB2 B 2.254 ambi=2 { CB:31.386 } atom: 771 83T-HB B 4.124 ambi=1 { CB:69.709 } :: atom: 779 84P-HB3 B 1.854 ambi=2 { CB:31.386 } atom: 771 83T-HB B 4.124 ambi=1 { CB:69.709 } ::sumAvg: 4.995 atom: 780 84P-HG2 G 1.996 ambi=2 { CG:27.14 } atom: 771 83T-HB B 4.124 ambi=1 { CB:69.709 } :: atom: 781 84P-HG3 G 1.949 ambi=2 { CG:27.14 } atom: 771 83T-HB B 4.124 ambi=1 { CB:69.709 } ::sumAvg: 4.41 atom: 793 85L-HD1 D1 0.889 ambi=2 { CD1:24.73 } atom: 771 83T-HB B 4.124 ambi=1 { CB:69.709 } :: atom: 794 85L-HD2 D2 0.836 ambi=2 { CD2:23.249 } atom: 771 83T-HB B 4.124 ambi=1 { CB:69.709 } ::sumAvg: 4.78 atom: 790 85L-HB2 B 1.513 ambi=2 { CB:42.212 } atom: 777 84P-HA A 4.367 ambi=1 { CA:62.944 } :: atom: 791 85L-HB3 B 1.59 ambi=2 { CB:42.212 } atom: 777 84P-HA A 4.367 ambi=1 { CA:62.944 } ::sumAvg: 4.69 atom: 778 84P-HB2 B 2.254 ambi=2 { CB:31.386 } atom: 789 85L-HA A 4.259 ambi=1 { CA:54.823 } :: atom: 779 84P-HB3 B 1.854 ambi=2 { CB:31.386 } atom: 789 85L-HA A 4.259 ambi=1 { CA:54.823 } ::sumAvg: 4.53 atom: 789 85L-HA A 4.259 ambi=1 { CA:54.823 } atom: 778 84P-HB2 B 2.254 ambi=2 { CB:31.386 } :: atom: 789 85L-HA A 4.259 ambi=1 { CA:54.823 } atom: 779 84P-HB3 B 1.854 ambi=2 { CB:31.386 } ::sumAvg: 4.53 atom: 780 84P-HG2 G 1.996 ambi=2 { CG:27.14 } atom: 793 85L-HD1 D1 0.889 ambi=2 { CD1:24.73 } :: atom: 780 84P-HG2 G 1.996 ambi=2 { CG:27.14 } atom: 794 85L-HD2 D2 0.836 ambi=2 { CD2:23.249 } :: atom: 781 84P-HG3 G 1.949 ambi=2 { CG:27.14 } atom: 793 85L-HD1 D1 0.889 ambi=2 { CD1:24.73 } :: atom: 781 84P-HG3 G 1.949 ambi=2 { CG:27.14 } atom: 794 85L-HD2 D2 0.836 ambi=2 { CD2:23.249 } ::sumAvg: 4.995 atom: 782 84P-HD2 D 3.815 ambi=2 { CD:50.773 } atom: 788 85L-H N 8.307 ambi=1 { N:122.416 } :: atom: 783 84P-HD3 D 3.673 ambi=2 { CD:50.773 } atom: 788 85L-H N 8.307 ambi=1 { N:122.416 } ::sumAvg: 4.91 atom: 789 85L-HA A 4.259 ambi=1 { CA:54.823 } atom: 803 86A-HB B 1.34 ambi=1 { CB:18.844 } ::sumAvg: 4.05 atom: 802 86A-HA A 4.291 ambi=1 { CA:51.913 } atom: 793 85L-HD1 D1 0.889 ambi=2 { CD1:24.73 } :: atom: 802 86A-HA A 4.291 ambi=1 { CA:51.913 } atom: 794 85L-HD2 D2 0.836 ambi=2 { CD2:23.249 } ::sumAvg: 4.705 atom: 793 85L-HD1 D1 0.889 ambi=2 { CD1:24.73 } atom: 803 86A-HB B 1.34 ambi=1 { CB:18.844 } :: atom: 794 85L-HD2 D2 0.836 ambi=2 { CD2:23.249 } atom: 803 86A-HB B 1.34 ambi=1 { CB:18.844 } ::sumAvg: 4.785 atom: 802 86A-HA A 4.291 ambi=1 { CA:51.913 } atom: 812 87L-HD1 D1 0.892 ambi=2 { CD1:24.73 } :: atom: 802 86A-HA A 4.291 ambi=1 { CA:51.913 } atom: 813 87L-HD2 D2 0.843 ambi=2 { CD2:23.404 } ::sumAvg: 4.815 atom: 808 87L-HA A 4.243 ambi=1 { CA:54.993 } atom: 803 86A-HB B 1.34 ambi=1 { CB:18.844 } ::sumAvg: 4.31 atom: 812 87L-HD1 D1 0.892 ambi=2 { CD1:24.73 } atom: 803 86A-HB B 1.34 ambi=1 { CB:18.844 } :: atom: 813 87L-HD2 D2 0.843 ambi=2 { CD2:23.404 } atom: 803 86A-HB B 1.34 ambi=1 { CB:18.844 } ::sumAvg: 4.355 atom: 803 86A-HB B 1.34 ambi=1 { CB:18.844 } atom: 821 88D-HA A 4.531 ambi=1 { CA:53.81 } ::sumAvg: 4.97 atom: 821 88D-HA A 4.531 ambi=1 { CA:53.81 } atom: 803 86A-HB B 1.34 ambi=1 { CB:18.844 } ::sumAvg: 4.97 atom: 803 86A-HB B 1.34 ambi=1 { CB:18.844 } atom: 822 88D-HB2 B 2.665 ambi=2 { CB:40.945 } :: atom: 803 86A-HB B 1.34 ambi=1 { CB:18.844 } atom: 823 88D-HB3 B 2.585 ambi=2 { CB:40.945 } ::sumAvg: 4.735 atom: 822 88D-HB2 B 2.665 ambi=2 { CB:40.945 } atom: 803 86A-HB B 1.34 ambi=1 { CB:18.844 } :: atom: 823 88D-HB3 B 2.585 ambi=2 { CB:40.945 } atom: 803 86A-HB B 1.34 ambi=1 { CB:18.844 } ::sumAvg: 4.735 atom: 821 88D-HA A 4.531 ambi=1 { CA:53.81 } atom: 807 87L-H N 8.192 ambi=1 { N:121.5 } ::sumAvg: 4.865 atom: 822 88D-HB2 B 2.665 ambi=2 { CB:40.945 } atom: 807 87L-H N 8.192 ambi=1 { N:121.5 } :: atom: 823 88D-HB3 B 2.585 ambi=2 { CB:40.945 } atom: 807 87L-H N 8.192 ambi=1 { N:121.5 } ::sumAvg: 4.78 atom: 809 87L-HB2 B 1.598 ambi=2 { CB:42.156 } atom: 821 88D-HA A 4.531 ambi=1 { CA:53.81 } :: atom: 810 87L-HB3 B 1.532 ambi=2 { CB:42.156 } atom: 821 88D-HA A 4.531 ambi=1 { CA:53.81 } ::sumAvg: 4.665 atom: 821 88D-HA A 4.531 ambi=1 { CA:53.81 } atom: 809 87L-HB2 B 1.598 ambi=2 { CB:42.156 } :: atom: 821 88D-HA A 4.531 ambi=1 { CA:53.81 } atom: 810 87L-HB3 B 1.532 ambi=2 { CB:42.156 } ::sumAvg: 4.665 atom: 809 87L-HB2 B 1.598 ambi=2 { CB:42.156 } atom: 822 88D-HB2 B 2.665 ambi=2 { CB:40.945 } :: atom: 809 87L-HB2 B 1.598 ambi=2 { CB:42.156 } atom: 823 88D-HB3 B 2.585 ambi=2 { CB:40.945 } :: atom: 810 87L-HB3 B 1.532 ambi=2 { CB:42.156 } atom: 822 88D-HB2 B 2.665 ambi=2 { CB:40.945 } :: atom: 810 87L-HB3 B 1.532 ambi=2 { CB:42.156 } atom: 823 88D-HB3 B 2.585 ambi=2 { CB:40.945 } ::sumAvg: 4.645 atom: 822 88D-HB2 B 2.665 ambi=2 { CB:40.945 } atom: 809 87L-HB2 B 1.598 ambi=2 { CB:42.156 } :: atom: 823 88D-HB3 B 2.585 ambi=2 { CB:40.945 } atom: 809 87L-HB2 B 1.598 ambi=2 { CB:42.156 } :: atom: 822 88D-HB2 B 2.665 ambi=2 { CB:40.945 } atom: 810 87L-HB3 B 1.532 ambi=2 { CB:42.156 } :: atom: 823 88D-HB3 B 2.585 ambi=2 { CB:40.945 } atom: 810 87L-HB3 B 1.532 ambi=2 { CB:42.156 } ::sumAvg: 4.645 atom: 821 88D-HA A 4.531 ambi=1 { CA:53.81 } atom: 829 89A-HB B 1.355 ambi=1 { CB:19.012 } ::sumAvg: 4.43 atom: 829 89A-HB B 1.355 ambi=1 { CB:19.012 } atom: 821 88D-HA A 4.531 ambi=1 { CA:53.81 } ::sumAvg: 4.43 atom: 821 88D-HA A 4.531 ambi=1 { CA:53.81 } atom: 833 90N-H N 8.376 ambi=1 { N:117.47 } ::sumAvg: 4.92 atom: 822 88D-HB2 B 2.665 ambi=2 { CB:40.945 } atom: 828 89A-HA A 4.252 ambi=1 { CA:52.504 } :: atom: 823 88D-HB3 B 2.585 ambi=2 { CB:40.945 } atom: 828 89A-HA A 4.252 ambi=1 { CA:52.504 } ::sumAvg: 4.97 atom: 828 89A-HA A 4.252 ambi=1 { CA:52.504 } atom: 822 88D-HB2 B 2.665 ambi=2 { CB:40.945 } :: atom: 828 89A-HA A 4.252 ambi=1 { CA:52.504 } atom: 823 88D-HB3 B 2.585 ambi=2 { CB:40.945 } ::sumAvg: 4.97 atom: 822 88D-HB2 B 2.665 ambi=2 { CB:40.945 } atom: 829 89A-HB B 1.355 ambi=1 { CB:19.012 } :: atom: 823 88D-HB3 B 2.585 ambi=2 { CB:40.945 } atom: 829 89A-HB B 1.355 ambi=1 { CB:19.012 } ::sumAvg: 4.685 atom: 829 89A-HB B 1.355 ambi=1 { CB:19.012 } atom: 822 88D-HB2 B 2.665 ambi=2 { CB:40.945 } :: atom: 829 89A-HB B 1.355 ambi=1 { CB:19.012 } atom: 823 88D-HB3 B 2.585 ambi=2 { CB:40.945 } ::sumAvg: 4.685 atom: 828 89A-HA A 4.252 ambi=1 { CA:52.504 } atom: 834 90N-HA A 4.671 ambi=1 { CA:53.214 } ::sumAvg: 4.845 atom: 834 90N-HA A 4.671 ambi=1 { CA:53.214 } atom: 828 89A-HA A 4.252 ambi=1 { CA:52.504 } ::sumAvg: 4.845 atom: 828 89A-HA A 4.252 ambi=1 { CA:52.504 } atom: 835 90N-HB2 B 2.832 ambi=2 { CB:38.593 } :: atom: 828 89A-HA A 4.252 ambi=1 { CA:52.504 } atom: 836 90N-HB3 B 2.714 ambi=2 { CB:38.593 } ::sumAvg: 4.98 atom: 828 89A-HA A 4.252 ambi=1 { CA:52.504 } atom: 843 91K-H N 7.717 ambi=1 { N:126.141 } ::sumAvg: 4.845 atom: 829 89A-HB B 1.355 ambi=1 { CB:19.012 } atom: 834 90N-HA A 4.671 ambi=1 { CA:53.214 } ::sumAvg: 4.32 atom: 834 90N-HA A 4.671 ambi=1 { CA:53.214 } atom: 829 89A-HB B 1.355 ambi=1 { CB:19.012 } ::sumAvg: 4.32 atom: 829 89A-HB B 1.355 ambi=1 { CB:19.012 } atom: 835 90N-HB2 B 2.832 ambi=2 { CB:38.593 } :: atom: 829 89A-HB B 1.355 ambi=1 { CB:19.012 } atom: 836 90N-HB3 B 2.714 ambi=2 { CB:38.593 } ::sumAvg: 4.82 atom: 835 90N-HB2 B 2.832 ambi=2 { CB:38.593 } atom: 829 89A-HB B 1.355 ambi=1 { CB:19.012 } :: atom: 836 90N-HB3 B 2.714 ambi=2 { CB:38.593 } atom: 829 89A-HB B 1.355 ambi=1 { CB:19.012 } ::sumAvg: 4.82 atom: 829 89A-HB B 1.355 ambi=1 { CB:19.012 } atom: 843 91K-H N 7.717 ambi=1 { N:126.141 } ::sumAvg: 4.395 atom: 834 90N-HA A 4.671 ambi=1 { CA:53.214 } atom: 837 90N-HD21 D2 7.632 ambi=2 { ND2:113.245 } :: atom: 834 90N-HA A 4.671 ambi=1 { CA:53.214 } atom: 838 90N-HD22 D2 6.89 ambi=2 { ND2:113.245 } ::sumAvg: 4.355 atom: 834 90N-HA A 4.671 ambi=1 { CA:53.214 } atom: 844 91K-HA A 4.102 ambi=1 { CA:57.532 } ::sumAvg: 4.5 atom: 844 91K-HA A 4.102 ambi=1 { CA:57.532 } atom: 834 90N-HA A 4.671 ambi=1 { CA:53.214 } ::sumAvg: 4.5 atom: 834 90N-HA A 4.671 ambi=1 { CA:53.214 } atom: 847 91K-QG G 1.35 ambi=2 { CG:24.403 } ::sumAvg: 4.785 atom: 847 91K-QG G 1.35 ambi=2 { CG:24.403 } atom: 834 90N-HA A 4.671 ambi=1 { CA:53.214 } ::sumAvg: 4.785 atom: 835 90N-HB2 B 2.832 ambi=2 { CB:38.593 } atom: 847 91K-QG G 1.35 ambi=2 { CG:24.403 } :: atom: 836 90N-HB3 B 2.714 ambi=2 { CB:38.593 } atom: 847 91K-QG G 1.35 ambi=2 { CG:24.403 } ::sumAvg: 4.66 atom: 847 91K-QG G 1.35 ambi=2 { CG:24.403 } atom: 835 90N-HB2 B 2.832 ambi=2 { CB:38.593 } :: atom: 847 91K-QG G 1.35 ambi=2 { CG:24.403 } atom: 836 90N-HB3 B 2.714 ambi=2 { CB:38.593 } ::sumAvg: 4.66 atom: 850 91K-QD D 1.6365 ambi=2 { CD:28.938 } atom: 843 91K-H N 7.717 ambi=1 { N:126.141 } ::sumAvg: 4.595 atom: 847 91K-QG G 1.35 ambi=2 { CG:24.403 } atom: 844 91K-HA A 4.102 ambi=1 { CA:57.532 } ::sumAvg: 2.435 atom: 850 91K-QD D 1.6365 ambi=2 { CD:28.938 } atom: 844 91K-HA A 4.102 ambi=1 { CA:57.532 } ::sumAvg: 4.1 atom: 851 91K-QE E 2.965 ambi=2 { CE:41.863 } atom: 844 91K-HA A 4.102 ambi=1 { CA:57.532 } ::sumAvg: 4.29 atom: 845 91K-HB2 B 1.792 ambi=2 { CB:33.33 } atom: 851 91K-QE E 2.965 ambi=2 { CE:41.863 } :: atom: 846 91K-HB3 B 1.687 ambi=2 { CB:33.33 } atom: 851 91K-QE E 2.965 ambi=2 { CE:41.863 } ::sumAvg: 2.97 atom: 847 91K-QG G 1.35 ambi=2 { CG:24.403 } atom: 851 91K-QE E 2.965 ambi=2 { CE:41.863 } ::sumAvg: 2.22 atom: 851 91K-QE E 2.965 ambi=2 { CE:41.863 } atom: 847 91K-QG G 1.35 ambi=2 { CG:24.403 } ::sumAvg: 2.22 # Missing interactons for nnoeabs.peaks atom: 20 12L-H N 7.857 ambi=1 { N:120.405 } atom: 3 10H-QB B 3.0575 ambi=2 { CB:30.024 } ::sumAvg: 4.48 atom: 8 11M-H N 8.102 ambi=1 { N:119.73 } atom: 14 11M-HE E 1.768 ambi=1 { CE:16.186 } ::sumAvg: 4.42 atom: 8 11M-H N 8.102 ambi=1 { N:119.73 } atom: 24 12L-HG G 1.463 ambi=1 { CG:26.471 } ::sumAvg: 4.08 atom: 8 11M-H N 8.102 ambi=1 { N:119.73 } atom: 593 66V-HA A 3.61 ambi=1 { CA:65.201 } ::sumAvg: 4.89 atom: 8 11M-H N 8.102 ambi=1 { N:119.73 } atom: 595 66V-HG1 G1 1.116 ambi=2 { CG1:21.65 } :: atom: 8 11M-H N 8.102 ambi=1 { N:119.73 } atom: 596 66V-HG2 G2 1.041 ambi=2 { CG2:22.54 } ::sumAvg: 3.68 atom: 8 11M-H N 8.102 ambi=1 { N:119.73 } atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } ::sumAvg: 4.115 atom: 33 13T-H N 8.438 ambi=1 { N:110.786 } atom: 11 11M-QB B 1.893 ambi=2 { CB:32.096 } ::sumAvg: 4.95 atom: 20 12L-H N 7.857 ambi=1 { N:120.405 } atom: 14 11M-HE E 1.768 ambi=1 { CE:16.186 } ::sumAvg: 4.565 atom: 20 12L-H N 7.857 ambi=1 { N:120.405 } atom: 102 19P-HD2 D 4.023 ambi=2 { CD:50.752 } :: atom: 20 12L-H N 7.857 ambi=1 { N:120.405 } atom: 103 19P-HD3 D 3.791 ambi=2 { CD:50.752 } ::sumAvg: 4.87 atom: 71 17K-H N 7.598 ambi=1 { N:118.491 } atom: 22 12L-HB2 B 1.598 ambi=2 { CB:43.73 } :: atom: 71 17K-H N 7.598 ambi=1 { N:118.491 } atom: 23 12L-HB3 B 1.375 ambi=2 { CB:43.73 } ::sumAvg: 3.76 atom: 71 17K-H N 7.598 ambi=1 { N:118.491 } atom: 25 12L-HD1 D1 0.745 ambi=2 { CD1:24.91 } :: atom: 71 17K-H N 7.598 ambi=1 { N:118.491 } atom: 26 12L-HD2 D2 0.662 ambi=2 { CD2:22.699 } ::sumAvg: 3.6 atom: 33 13T-H N 8.438 ambi=1 { N:110.786 } atom: 41 14K-H N 8.882 ambi=1 { N:121.792 } ::sumAvg: 3.275 atom: 41 14K-H N 8.882 ambi=1 { N:121.792 } atom: 33 13T-H N 8.438 ambi=1 { N:110.786 } ::sumAvg: 3.275 atom: 33 13T-H N 8.438 ambi=1 { N:110.786 } atom: 74 17K-QB B 1.7205 ambi=2 { CB:34.028 } ::sumAvg: 4.92 atom: 33 13T-H N 8.438 ambi=1 { N:110.786 } atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } ::sumAvg: 3.805 atom: 33 13T-H N 8.438 ambi=1 { N:110.786 } atom: 98 19P-QB B 1.982 ambi=2 { CB:32.458 } ::sumAvg: 4.37 atom: 33 13T-H N 8.438 ambi=1 { N:110.786 } atom: 100 19P-HG2 G 1.96 ambi=2 { CG:27.996 } :: atom: 33 13T-H N 8.438 ambi=1 { N:110.786 } atom: 101 19P-HG3 G 1.867 ambi=2 { CG:27.996 } ::sumAvg: 4.22 atom: 57 15H-H N 7.933 ambi=1 { N:116.562 } atom: 36 13T-HG2 G2 1.102 ambi=1 { CG2:21.44 } ::sumAvg: 4.555 atom: 108 20V-H N 7.594 ambi=1 { N:116.615 } atom: 36 13T-HG2 G2 1.102 ambi=1 { CG2:21.44 } ::sumAvg: 4.835 atom: 41 14K-H N 8.882 ambi=1 { N:121.792 } atom: 48 14K-QD D 1.5825 ambi=2 { CD:28.78 } ::sumAvg: 3.56 atom: 41 14K-H N 8.882 ambi=1 { N:121.792 } atom: 57 15H-H N 7.933 ambi=1 { N:116.562 } ::sumAvg: 3.285 atom: 57 15H-H N 7.933 ambi=1 { N:116.562 } atom: 41 14K-H N 8.882 ambi=1 { N:121.792 } ::sumAvg: 3.285 atom: 41 14K-H N 8.882 ambi=1 { N:121.792 } atom: 71 17K-H N 7.598 ambi=1 { N:118.491 } ::sumAvg: 4.765 atom: 71 17K-H N 7.598 ambi=1 { N:118.491 } atom: 41 14K-H N 8.882 ambi=1 { N:121.792 } ::sumAvg: 4.765 atom: 41 14K-H N 8.882 ambi=1 { N:121.792 } atom: 662 73L-HD1 D1 0.775 ambi=2 { CD1:24.276 } :: atom: 41 14K-H N 8.882 ambi=1 { N:121.792 } atom: 663 73L-HD2 D2 0.839 ambi=2 { CD2:24.715 } ::sumAvg: 4.86 atom: 57 15H-H N 7.933 ambi=1 { N:116.562 } atom: 43 14K-QB B 1.646 ambi=2 { CB:31.92 } ::sumAvg: 2.91 atom: 71 17K-H N 7.598 ambi=1 { N:118.491 } atom: 43 14K-QB B 1.646 ambi=2 { CB:31.92 } ::sumAvg: 4.645 atom: 57 15H-H N 7.933 ambi=1 { N:116.562 } atom: 45 14K-HG2 G 1.201 ambi=2 { CG:23.952 } :: atom: 57 15H-H N 7.933 ambi=1 { N:116.562 } atom: 46 14K-HG3 G 1.098 ambi=2 { CG:23.952 } ::sumAvg: 3.635 atom: 57 15H-H N 7.933 ambi=1 { N:116.562 } atom: 48 14K-QD D 1.5825 ambi=2 { CD:28.78 } ::sumAvg: 3.705 atom: 57 15H-H N 7.933 ambi=1 { N:116.562 } atom: 50 14K-QE E 2.9115 ambi=2 { CE:41.78 } ::sumAvg: 4.965 atom: 57 15H-H N 7.933 ambi=1 { N:116.562 } atom: 61 15H-HD2 D2 7.164 ambi=1 { CD2:119.628 } ::sumAvg: 3.65 atom: 57 15H-H N 7.933 ambi=1 { N:116.562 } atom: 75 17K-HG2 G 1.238 ambi=2 { CG:24.91 } :: atom: 57 15H-H N 7.933 ambi=1 { N:116.562 } atom: 76 17K-HG3 G 1.27 ambi=2 { CG:24.91 } ::sumAvg: 4.735 atom: 71 17K-H N 7.598 ambi=1 { N:118.491 } atom: 58 15H-HA A 4.722 ambi=1 { CA:55.054 } ::sumAvg: 4.67 atom: 71 17K-H N 7.598 ambi=1 { N:118.491 } atom: 59 15H-HB2 B 3.326 ambi=2 { CB:29.33 } :: atom: 71 17K-H N 7.598 ambi=1 { N:118.491 } atom: 60 15H-HB3 B 2.964 ambi=2 { CB:29.33 } ::sumAvg: 4.1 atom: 66 16G-H N 8.289 ambi=1 { N:108.56 } atom: 72 17K-HA A 4.452 ambi=1 { CA:54.364 } ::sumAvg: 4.85 atom: 66 16G-H N 8.289 ambi=1 { N:108.56 } atom: 75 17K-HG2 G 1.238 ambi=2 { CG:24.91 } :: atom: 66 16G-H N 8.289 ambi=1 { N:108.56 } atom: 76 17K-HG3 G 1.27 ambi=2 { CG:24.91 } ::sumAvg: 3.59 atom: 66 16G-H N 8.289 ambi=1 { N:108.56 } atom: 77 17K-QD D 1.509 ambi=2 { CD:28.78 } ::sumAvg: 4.955 atom: 87 18N-H N 8.783 ambi=1 { N:121.134 } atom: 67 16G-HA2 A 3.669 ambi=2 { CA:45.702 } :: atom: 87 18N-H N 8.783 ambi=1 { N:121.134 } atom: 68 16G-HA3 A 3.972 ambi=2 { CA:45.702 } ::sumAvg: 4.575 atom: 71 17K-H N 7.598 ambi=1 { N:118.491 } atom: 79 17K-QE E 2.851 ambi=2 { CE:41.78 } ::sumAvg: 4.91 atom: 71 17K-H N 7.598 ambi=1 { N:118.491 } atom: 87 18N-H N 8.783 ambi=1 { N:121.134 } ::sumAvg: 3.22 atom: 71 17K-H N 7.598 ambi=1 { N:118.491 } atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } ::sumAvg: 4.735 atom: 118 21M-H N 7.12 ambi=1 { N:119.057 } atom: 88 18N-HA A 4.849 ambi=1 { CA:50.95 } ::sumAvg: 4.74 atom: 118 21M-H N 7.12 ambi=1 { N:119.057 } atom: 91 18N-HD21 D2 7.921 ambi=2 { ND2:114.693 } ::sumAvg: 4.195 atom: 91 18N-HD21 D2 7.921 ambi=2 { ND2:114.693 } atom: 578 65K-HB2 B 1.787 ambi=2 { CB:31.715 } :: atom: 91 18N-HD21 D2 7.921 ambi=2 { ND2:114.693 } atom: 579 65K-HB3 B 1.735 ambi=2 { CB:31.715 } :: atom: 92 18N-HD22 D2 7.121 ambi=2 { ND2:114.693 } atom: 578 65K-HB2 B 1.787 ambi=2 { CB:31.715 } :: atom: 92 18N-HD22 D2 7.121 ambi=2 { ND2:114.693 } atom: 579 65K-HB3 B 1.735 ambi=2 { CB:31.715 } ::sumAvg: 4.99 atom: 108 20V-H N 7.594 ambi=1 { N:116.615 } atom: 120 21M-HB2 B 2.058 ambi=2 { CB:32.01 } :: atom: 108 20V-H N 7.594 ambi=1 { N:116.615 } atom: 121 21M-HB3 B 2.149 ambi=2 { CB:32.01 } ::sumAvg: 4.695 atom: 108 20V-H N 7.594 ambi=1 { N:116.615 } atom: 122 21M-HG2 G 2.628 ambi=2 { CG:32.07 } :: atom: 108 20V-H N 7.594 ambi=1 { N:116.615 } atom: 123 21M-HG3 G 2.457 ambi=2 { CG:32.07 } ::sumAvg: 4.805 atom: 108 20V-H N 7.594 ambi=1 { N:116.615 } atom: 140 23L-H N 8.383 ambi=1 { N:119.181 } ::sumAvg: 4.67 atom: 118 21M-H N 7.12 ambi=1 { N:119.057 } atom: 153 24N-H N 7.743 ambi=1 { N:116.978 } ::sumAvg: 4.635 atom: 153 24N-H N 7.743 ambi=1 { N:116.978 } atom: 118 21M-H N 7.12 ambi=1 { N:119.057 } ::sumAvg: 4.635 atom: 118 21M-H N 7.12 ambi=1 { N:119.057 } atom: 157 24N-HD21 D2 7.871 ambi=2 { ND2:115.411 } ::sumAvg: 4.955 atom: 157 24N-HD21 D2 7.871 ambi=2 { ND2:115.411 } atom: 118 21M-H N 7.12 ambi=1 { N:119.057 } ::sumAvg: 4.955 atom: 157 24N-HD21 D2 7.871 ambi=2 { ND2:115.411 } atom: 122 21M-HG2 G 2.628 ambi=2 { CG:32.07 } :: atom: 158 24N-HD22 D2 6.978 ambi=2 { ND2:115.411 } atom: 122 21M-HG2 G 2.628 ambi=2 { CG:32.07 } :: atom: 157 24N-HD21 D2 7.871 ambi=2 { ND2:115.411 } atom: 123 21M-HG3 G 2.457 ambi=2 { CG:32.07 } :: atom: 158 24N-HD22 D2 6.978 ambi=2 { ND2:115.411 } atom: 123 21M-HG3 G 2.457 ambi=2 { CG:32.07 } ::sumAvg: 3.45 atom: 130 22E-H N 8.232 ambi=1 { N:120.421 } atom: 163 25E-H N 7.363 ambi=1 { N:115.271 } ::sumAvg: 4.595 atom: 163 25E-H N 7.363 ambi=1 { N:115.271 } atom: 130 22E-H N 8.232 ambi=1 { N:120.421 } ::sumAvg: 4.595 atom: 140 23L-H N 8.383 ambi=1 { N:119.181 } atom: 173 26K-H N 7.266 ambi=1 { N:116.251 } ::sumAvg: 4.655 atom: 173 26K-H N 7.266 ambi=1 { N:116.251 } atom: 140 23L-H N 8.383 ambi=1 { N:119.181 } ::sumAvg: 4.655 atom: 189 27R-H N 8.158 ambi=1 { N:120.876 } atom: 144 23L-HG G 1.61 ambi=1 { CG:26.77 } ::sumAvg: 4.48 atom: 153 24N-H N 7.743 ambi=1 { N:116.978 } atom: 189 27R-H N 8.158 ambi=1 { N:120.876 } ::sumAvg: 4.795 atom: 189 27R-H N 8.158 ambi=1 { N:120.876 } atom: 153 24N-H N 7.743 ambi=1 { N:116.978 } ::sumAvg: 4.795 atom: 157 24N-HD21 D2 7.871 ambi=2 { ND2:115.411 } atom: 255 32Y-QD D 6.819 ambi=3 { CD1:132.711 CD2:132.832 } ::sumAvg: 4.53 atom: 157 24N-HD21 D2 7.871 ambi=2 { ND2:115.411 } atom: 257 32Y-QE E 6.663 ambi=3 { CE2:117.455 } ::sumAvg: 3.145 atom: 189 27R-H N 8.158 ambi=1 { N:120.876 } atom: 163 25E-H N 7.363 ambi=1 { N:115.271 } ::sumAvg: 4.005 atom: 197 27R-HE E 9.135 ambi=1 { NE:85.606 } atom: 190 27R-HA A 4.619 ambi=1 { CA:52.505 } ::sumAvg: 4.9 atom: 456 53D-H N 9.154 ambi=1 { N:127.118 } atom: 195 27R-HD2 D 3.184 ambi=2 { CD:42.179 } :: atom: 456 53D-H N 9.154 ambi=1 { N:127.118 } atom: 196 27R-HD3 D 3.586 ambi=2 { CD:42.179 } ::sumAvg: 4.305 atom: 197 27R-HE E 9.135 ambi=1 { NE:85.606 } atom: 457 53D-HA A 4.237 ambi=1 { CA:54.764 } ::sumAvg: 4.88 atom: 197 27R-HE E 9.135 ambi=1 { NE:85.606 } atom: 458 53D-HB2 B 2.897 ambi=2 { CB:38.138 } :: atom: 197 27R-HE E 9.135 ambi=1 { NE:85.606 } atom: 459 53D-HB3 B 2.783 ambi=2 { CB:38.138 } ::sumAvg: 3.335 atom: 197 27R-HE E 9.135 ambi=1 { NE:85.606 } atom: 723 79L-HB2 B 1.251 ambi=2 { CB:42.761 } :: atom: 197 27R-HE E 9.135 ambi=1 { NE:85.606 } atom: 724 79L-HB3 B 0.375 ambi=2 { CB:42.761 } ::sumAvg: 4.565 atom: 197 27R-HE E 9.135 ambi=1 { NE:85.606 } atom: 726 79L-HD1 D1 0.736 ambi=2 { CD1:26.096 } :: atom: 197 27R-HE E 9.135 ambi=1 { NE:85.606 } atom: 727 79L-HD2 D2 0.784 ambi=2 { CD2:21.774 } ::sumAvg: 3.635 atom: 197 27R-HE E 9.135 ambi=1 { NE:85.606 } atom: 740 80F-QE E 7.029 ambi=3 { CE1:130.379 CE2:130.6 } ::sumAvg: 3.77 atom: 235 31K-H N 8.494 ambi=1 { N:121.744 } atom: 252 32Y-HA A 4.944 ambi=1 { CA:56.764 } ::sumAvg: 4.93 atom: 436 51E-H N 8.063 ambi=1 { N:129.133 } atom: 236 31K-HA A 4.599 ambi=1 { CA:54.656 } ::sumAvg: 4.96 atom: 266 33E-H N 9.441 ambi=1 { N:124.37 } atom: 243 31K-QE E 2.9685 ambi=2 { CE:41.78 } ::sumAvg: 4.99 atom: 251 32Y-H N 8.68 ambi=1 { N:124.248 } atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } ::sumAvg: 4.805 atom: 426 50V-H N 9.162 ambi=1 { N:125.164 } atom: 252 32Y-HA A 4.944 ambi=1 { CA:56.764 } ::sumAvg: 4.915 atom: 289 35I-H N 8.979 ambi=1 { N:126.944 } atom: 270 33E-HG2 G 2.219 ambi=2 { CG:35.425 } :: atom: 289 35I-H N 8.979 ambi=1 { N:126.944 } atom: 271 33E-HG3 G 2.06 ambi=2 { CG:35.425 } ::sumAvg: 4.65 atom: 276 34L-H N 8.791 ambi=1 { N:126.771 } atom: 295 35I-HD1 D1 0.651 ambi=1 { CD1:10.733 } ::sumAvg: 4.725 atom: 289 35I-H N 8.979 ambi=1 { N:126.944 } atom: 303 36S-HA A 4.56 ambi=1 { CA:57.608 } ::sumAvg: 4.88 atom: 289 35I-H N 8.979 ambi=1 { N:126.944 } atom: 396 47V-HB B 1.931 ambi=1 { CB:33.479 } ::sumAvg: 3.94 atom: 289 35I-H N 8.979 ambi=1 { N:126.944 } atom: 406 48M-HB2 B 1.793 ambi=2 { CB:35.417 } :: atom: 289 35I-H N 8.979 ambi=1 { N:126.944 } atom: 407 48M-HB3 B 1.751 ambi=2 { CB:35.417 } ::sumAvg: 4.875 atom: 289 35I-H N 8.979 ambi=1 { N:126.944 } atom: 410 48M-HE E 1.931 ambi=1 { CE:17.038 } ::sumAvg: 4.63 atom: 404 48M-H N 9.23 ambi=1 { N:125.432 } atom: 291 35I-HB B 1.873 ambi=1 { CB:37.614 } ::sumAvg: 4.42 atom: 302 36S-H N 7.562 ambi=1 { N:112.175 } atom: 310 37E-HA A 4.815 ambi=1 { CA:54.867 } ::sumAvg: 4.835 atom: 302 36S-H N 7.562 ambi=1 { N:112.175 } atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } ::sumAvg: 4.77 atom: 302 36S-H N 7.562 ambi=1 { N:112.175 } atom: 405 48M-HA A 5.61 ambi=1 { CA:52.17 } ::sumAvg: 4.285 atom: 394 47V-H N 8.625 ambi=1 { N:119.944 } atom: 303 36S-HA A 4.56 ambi=1 { CA:57.608 } ::sumAvg: 4.7 atom: 309 37E-H N 8.317 ambi=1 { N:125.042 } atom: 320 38T-HA A 4.614 ambi=1 { CA:59.865 } ::sumAvg: 4.975 atom: 309 37E-H N 8.317 ambi=1 { N:125.042 } atom: 379 46F-HA A 5.158 ambi=1 { CA:56.571 } ::sumAvg: 4.98 atom: 319 38T-H N 8.48 ambi=1 { N:116.676 } atom: 328 39G-HA2 A 3.718 ambi=2 { CA:44.133 } :: atom: 319 38T-H N 8.48 ambi=1 { N:116.676 } atom: 329 39G-HA3 A 4.271 ambi=2 { CA:44.133 } ::sumAvg: 4.96 atom: 319 38T-H N 8.48 ambi=1 { N:116.676 } atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } ::sumAvg: 4.24 atom: 319 38T-H N 8.48 ambi=1 { N:116.676 } atom: 384 46F-QE E 7.342 ambi=3 { CE1:131.199 CE2:131.076 } ::sumAvg: 4.445 atom: 374 45R-HE E 7.05 ambi=1 { NE:84.677 } atom: 322 38T-HG2 G2 1.079 ambi=1 { CG2:21.237 } ::sumAvg: 4.85 atom: 327 39G-H N 8.375 ambi=1 { N:107.816 } atom: 357 44K-HD2 D 1.42 ambi=2 { CD:27.576 } :: atom: 327 39G-H N 8.375 ambi=1 { N:107.816 } atom: 358 44K-HD3 D 1.29 ambi=2 { CD:27.576 } ::sumAvg: 4.635 atom: 332 40G-H N 8.375 ambi=1 { N:108.249 } atom: 352 44K-HA A 4.337 ambi=1 { CA:55.119 } ::sumAvg: 3.72 atom: 332 40G-H N 8.375 ambi=1 { N:108.249 } atom: 357 44K-HD2 D 1.42 ambi=2 { CD:27.576 } :: atom: 332 40G-H N 8.375 ambi=1 { N:108.249 } atom: 358 44K-HD3 D 1.29 ambi=2 { CD:27.576 } ::sumAvg: 4.095 atom: 332 40G-H N 8.375 ambi=1 { N:108.249 } atom: 359 44K-HE2 E 2.644 ambi=2 { CE:41.78 } :: atom: 332 40G-H N 8.375 ambi=1 { N:108.249 } atom: 360 44K-HE3 E 2.712 ambi=2 { CE:41.78 } ::sumAvg: 4.975 atom: 344 43D-H N 7.986 ambi=1 { N:120.127 } atom: 340 42H-HD2 D2 7.093 ambi=1 { CD2:119.565 } ::sumAvg: 4.58 atom: 351 44K-H N 7.572 ambi=1 { N:121.439 } atom: 544 62S-HA A 4.712 ambi=1 { CA:59.423 } ::sumAvg: 4.82 atom: 538 61G-H N 8.533 ambi=1 { N:103.241 } atom: 367 45R-HA A 4.354 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.75 atom: 543 62S-H N 8.894 ambi=1 { N:114.556 } atom: 367 45R-HA A 4.354 ambi=1 {attached_atom is not_assigned} ::sumAvg: 4.915 atom: 374 45R-HE E 7.05 ambi=1 { NE:84.677 } atom: 368 45R-HB2 B 1.509 ambi=2 { CB:32.593 } :: atom: 374 45R-HE E 7.05 ambi=1 { NE:84.677 } atom: 369 45R-HB3 B 1.453 ambi=2 { CB:32.593 } ::sumAvg: 3.65 atom: 374 45R-HE E 7.05 ambi=1 { NE:84.677 } atom: 397 47V-HG1 G1 0.821 ambi=2 { CG1:20.927 } :: atom: 374 45R-HE E 7.05 ambi=1 { NE:84.677 } atom: 398 47V-HG2 G2 0.84 ambi=2 { CG2:20.61 } ::sumAvg: 3.565 atom: 560 64K-H N 8.29 ambi=1 { N:119.851 } atom: 380 46F-HB2 B 2.587 ambi=2 { CB:41.46 } :: atom: 560 64K-H N 8.29 ambi=1 { N:119.851 } atom: 381 46F-HB3 B 2.55 ambi=2 { CB:41.46 } ::sumAvg: 3.935 atom: 560 64K-H N 8.29 ambi=1 { N:119.851 } atom: 382 46F-QD D 7.016 ambi=3 { CD1:131.223 } ::sumAvg: 3.76 atom: 394 47V-H N 8.625 ambi=1 { N:119.944 } atom: 405 48M-HA A 5.61 ambi=1 { CA:52.17 } ::sumAvg: 4.92 atom: 404 48M-H N 9.23 ambi=1 { N:125.432 } atom: 417 49E-HA A 5.671 ambi=1 { CA:54.091 } ::sumAvg: 4.965 atom: 404 48M-H N 9.23 ambi=1 { N:125.432 } atom: 534 60A-HB B 1.309 ambi=1 { CB:23.272 } ::sumAvg: 4.185 atom: 527 59G-H N 8.835 ambi=1 { N:107.365 } atom: 405 48M-HA A 5.61 ambi=1 { CA:52.17 } ::sumAvg: 4.96 atom: 416 49E-H N 9.43 ambi=1 { N:121.511 } atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } ::sumAvg: 4.91 atom: 426 50V-H N 9.162 ambi=1 { N:125.164 } atom: 437 51E-HA A 5.288 ambi=1 { CA:53.988 } ::sumAvg: 4.9 atom: 426 50V-H N 9.162 ambi=1 { N:125.164 } atom: 514 58Q-H N 8.642 ambi=1 { N:119.546 } ::sumAvg: 4.965 atom: 514 58Q-H N 8.642 ambi=1 { N:119.546 } atom: 426 50V-H N 9.162 ambi=1 { N:125.164 } ::sumAvg: 4.965 atom: 497 57F-H N 8.797 ambi=1 { N:121.5 } atom: 427 50V-HA A 4.754 ambi=1 { CA:58.548 } ::sumAvg: 4.715 atom: 651 72A-H N 8.347 ambi=1 { N:118.235 } atom: 428 50V-HB B 1.324 ambi=1 { CB:35.927 } ::sumAvg: 4.905 atom: 670 74A-H N 7.8 ambi=1 { N:121.011 } atom: 429 50V-HG1 G1 0.696 ambi=2 { CG1:18.309 } :: atom: 670 74A-H N 7.8 ambi=1 { N:121.011 } atom: 430 50V-HG2 G2 0.262 ambi=2 { CG2:21.31 } ::sumAvg: 4.915 atom: 436 51E-H N 8.063 ambi=1 { N:129.133 } atom: 497 57F-H N 8.797 ambi=1 { N:121.5 } ::sumAvg: 4.845 atom: 463 54G-H N 8.781 ambi=1 { N:103.187 } atom: 437 51E-HA A 5.288 ambi=1 { CA:53.988 } ::sumAvg: 4.985 atom: 468 55Q-H N 8.023 ambi=1 { N:121.223 } atom: 440 51E-QG G 1.8075 ambi=2 { CG:36.411 } ::sumAvg: 3.345 atom: 463 54G-H N 8.781 ambi=1 { N:103.187 } atom: 446 52V-H N 9.375 ambi=1 { N:126.813 } ::sumAvg: 3.91 atom: 446 52V-H N 9.375 ambi=1 { N:126.813 } atom: 469 55Q-HA A 4.418 ambi=1 { CA:54.022 } ::sumAvg: 4.68 atom: 446 52V-H N 9.375 ambi=1 { N:126.813 } atom: 470 55Q-HB2 B 2.037 ambi=2 { CB:31.625 } :: atom: 446 52V-H N 9.375 ambi=1 { N:126.813 } atom: 471 55Q-HB3 B 1.749 ambi=2 { CB:31.625 } ::sumAvg: 3.745 atom: 446 52V-H N 9.375 ambi=1 { N:126.813 } atom: 481 56K-H N 8.203 ambi=1 { N:120.645 } ::sumAvg: 4.77 atom: 446 52V-H N 9.375 ambi=1 { N:126.813 } atom: 485 56K-HG2 G 1.067 ambi=2 { CG:25.282 } :: atom: 446 52V-H N 9.375 ambi=1 { N:126.813 } atom: 486 56K-HG3 G 1.279 ambi=2 { CG:25.282 } ::sumAvg: 4.785 atom: 446 52V-H N 9.375 ambi=1 { N:126.813 } atom: 678 75A-HB B 0.868 ambi=1 { CB:19.181 } ::sumAvg: 4.59 atom: 474 55Q-HE21 E2 6.797 ambi=2 { NE2:111.81 } atom: 449 52V-HG1 G1 0.943 ambi=2 { CG1:22.154 } :: atom: 475 55Q-HE22 E2 7.537 ambi=2 { NE2:111.81 } atom: 449 52V-HG1 G1 0.943 ambi=2 { CG1:22.154 } :: atom: 474 55Q-HE21 E2 6.797 ambi=2 { NE2:111.81 } atom: 450 52V-HG2 G2 0.938 ambi=2 { CG2:22.041 } :: atom: 475 55Q-HE22 E2 7.537 ambi=2 { NE2:111.81 } atom: 450 52V-HG2 G2 0.938 ambi=2 { CG2:22.041 } ::sumAvg: 4.755 atom: 676 75A-H N 7.359 ambi=1 { N:121.317 } atom: 449 52V-HG1 G1 0.943 ambi=2 { CG1:22.154 } :: atom: 676 75A-H N 7.359 ambi=1 { N:121.317 } atom: 450 52V-HG2 G2 0.938 ambi=2 { CG2:22.041 } ::sumAvg: 4.74 atom: 474 55Q-HE21 E2 6.797 ambi=2 { NE2:111.81 } atom: 457 53D-HA A 4.237 ambi=1 { CA:54.764 } :: atom: 475 55Q-HE22 E2 7.537 ambi=2 { NE2:111.81 } atom: 457 53D-HA A 4.237 ambi=1 { CA:54.764 } ::sumAvg: 4.905 atom: 463 54G-H N 8.781 ambi=1 { N:103.187 } atom: 470 55Q-HB2 B 2.037 ambi=2 { CB:31.625 } :: atom: 463 54G-H N 8.781 ambi=1 { N:103.187 } atom: 471 55Q-HB3 B 1.749 ambi=2 { CB:31.625 } ::sumAvg: 4.88 atom: 468 55Q-H N 8.023 ambi=1 { N:121.223 } atom: 482 56K-HA A 4.663 ambi=1 { CA:55.288 } ::sumAvg: 4.945 atom: 474 55Q-HE21 E2 6.797 ambi=2 { NE2:111.81 } atom: 469 55Q-HA A 4.418 ambi=1 { CA:54.022 } :: atom: 475 55Q-HE22 E2 7.537 ambi=2 { NE2:111.81 } atom: 469 55Q-HA A 4.418 ambi=1 { CA:54.022 } ::sumAvg: 4.945 atom: 474 55Q-HE21 E2 6.797 ambi=2 { NE2:111.81 } atom: 503 57F-QE E 7.21 ambi=3 { CE1:131.294 } ::sumAvg: 4.84 atom: 475 55Q-HE22 E2 7.537 ambi=2 { NE2:111.81 } atom: 505 57F-HZ Z 6.933 ambi=1 { CZ:127.989 } ::sumAvg: 4.44 atom: 481 56K-H N 8.203 ambi=1 { N:120.645 } atom: 503 57F-QE E 7.21 ambi=3 { CE1:131.294 } ::sumAvg: 4.99 atom: 497 57F-H N 8.797 ambi=1 { N:121.5 } atom: 503 57F-QE E 7.21 ambi=3 { CE1:131.294 } ::sumAvg: 4.805 atom: 497 57F-H N 8.797 ambi=1 { N:121.5 } atom: 518 58Q-HG2 G 2.387 ambi=2 { CG:33.72 } :: atom: 497 57F-H N 8.797 ambi=1 { N:121.5 } atom: 519 58Q-HG3 G 2.274 ambi=2 { CG:33.72 } ::sumAvg: 4.61 atom: 514 58Q-H N 8.642 ambi=1 { N:119.546 } atom: 646 71A-HA A 3.966 ambi=1 { CA:55.371 } ::sumAvg: 4.31 atom: 527 59G-H N 8.835 ambi=1 { N:107.365 } atom: 533 60A-HA A 6.084 ambi=1 { CA:49.561 } ::sumAvg: 4.77 atom: 532 60A-H N 8.309 ambi=1 { N:123.517 } atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } ::sumAvg: 4.31 atom: 538 61G-H N 8.533 ambi=1 { N:103.241 } atom: 594 66V-HB B 1.842 ambi=1 { CB:31.971 } ::sumAvg: 4.995 atom: 538 61G-H N 8.533 ambi=1 { N:103.241 } atom: 634 70Y-QD D 7.329 ambi=3 { CD1:132.797 CD2:132.996 } ::sumAvg: 4.35 atom: 543 62S-H N 8.894 ambi=1 { N:114.556 } atom: 594 66V-HB B 1.842 ambi=1 { CB:31.971 } ::sumAvg: 3.925 atom: 543 62S-H N 8.894 ambi=1 { N:114.556 } atom: 604 67A-HB B 1.37 ambi=1 { CB:18.307 } ::sumAvg: 4.895 atom: 543 62S-H N 8.894 ambi=1 { N:114.556 } atom: 636 70Y-QE E 6.802 ambi=3 { CE1:117.898 } ::sumAvg: 4.45 atom: 554 63N-HD21 D2 7.584 ambi=2 { ND2:115.048 } atom: 545 62S-HB2 B 4.118 ambi=2 { CB:63.26 } :: atom: 555 63N-HD22 D2 6.765 ambi=2 { ND2:115.048 } atom: 545 62S-HB2 B 4.118 ambi=2 { CB:63.26 } :: atom: 554 63N-HD21 D2 7.584 ambi=2 { ND2:115.048 } atom: 546 62S-HB3 B 3.989 ambi=2 { CB:63.26 } :: atom: 555 63N-HD22 D2 6.765 ambi=2 { ND2:115.048 } atom: 546 62S-HB3 B 3.989 ambi=2 { CB:63.26 } ::sumAvg: 4.155 atom: 555 63N-HD22 D2 6.765 ambi=2 { ND2:115.048 } atom: 550 63N-H N 7.522 ambi=1 { N:112.606 } ::sumAvg: 3.835 atom: 560 64K-H N 8.29 ambi=1 { N:119.851 } atom: 550 63N-H N 7.522 ambi=1 { N:112.606 } ::sumAvg: 4.455 atom: 560 64K-H N 8.29 ambi=1 { N:119.851 } atom: 554 63N-HD21 D2 7.584 ambi=2 { ND2:115.048 } :: atom: 560 64K-H N 8.29 ambi=1 { N:119.851 } atom: 555 63N-HD22 D2 6.765 ambi=2 { ND2:115.048 } ::sumAvg: 4.965 atom: 555 63N-HD22 D2 6.765 ambi=2 { ND2:115.048 } atom: 576 65K-H N 7.846 ambi=1 { N:119.363 } ::sumAvg: 4.59 atom: 576 65K-H N 7.846 ambi=1 { N:119.363 } atom: 555 63N-HD22 D2 6.765 ambi=2 { ND2:115.048 } ::sumAvg: 4.59 atom: 554 63N-HD21 D2 7.584 ambi=2 { ND2:115.048 } atom: 582 65K-QD D 1.5785 ambi=2 { CD:28.78 } :: atom: 555 63N-HD22 D2 6.765 ambi=2 { ND2:115.048 } atom: 582 65K-QD D 1.5785 ambi=2 { CD:28.78 } ::sumAvg: 4.8 atom: 560 64K-H N 8.29 ambi=1 { N:119.851 } atom: 578 65K-HB2 B 1.787 ambi=2 { CB:31.715 } :: atom: 560 64K-H N 8.29 ambi=1 { N:119.851 } atom: 579 65K-HB3 B 1.735 ambi=2 { CB:31.715 } ::sumAvg: 4.92 atom: 560 64K-H N 8.29 ambi=1 { N:119.851 } atom: 602 67A-H N 7.414 ambi=1 { N:121.317 } ::sumAvg: 4.81 atom: 576 65K-H N 7.846 ambi=1 { N:119.363 } atom: 594 66V-HB B 1.842 ambi=1 { CB:31.971 } ::sumAvg: 4.755 atom: 624 69A-H N 7.521 ambi=1 { N:119.816 } atom: 592 66V-H N 8.261 ambi=1 { N:120.889 } ::sumAvg: 4.625 atom: 624 69A-H N 7.521 ambi=1 { N:119.816 } atom: 595 66V-HG1 G1 1.116 ambi=2 { CG1:21.65 } :: atom: 624 69A-H N 7.521 ambi=1 { N:119.816 } atom: 596 66V-HG2 G2 1.041 ambi=2 { CG2:22.54 } ::sumAvg: 4.435 atom: 602 67A-H N 7.414 ambi=1 { N:121.317 } atom: 630 70Y-H N 8.334 ambi=1 { N:115.273 } ::sumAvg: 4.755 atom: 630 70Y-H N 8.334 ambi=1 { N:115.273 } atom: 602 67A-H N 7.414 ambi=1 { N:121.317 } ::sumAvg: 4.755 atom: 608 68K-H N 7.98 ambi=1 { N:115.457 } atom: 647 71A-HB B 1.52 ambi=1 { CB:16.945 } ::sumAvg: 4.615 atom: 651 72A-H N 8.347 ambi=1 { N:118.235 } atom: 610 68K-HB2 B 1.602 ambi=2 { CB:32.096 } :: atom: 651 72A-H N 8.347 ambi=1 { N:118.235 } atom: 611 68K-HB3 B 1.292 ambi=2 { CB:32.096 } ::sumAvg: 4.715 atom: 624 69A-H N 7.521 ambi=1 { N:119.816 } atom: 614 68K-QD D 1.2255 ambi=2 { CD:28.78 } ::sumAvg: 4.87 atom: 624 69A-H N 7.521 ambi=1 { N:119.816 } atom: 632 70Y-HB2 B 2.984 ambi=2 { CB:37.489 } :: atom: 624 69A-H N 7.521 ambi=1 { N:119.816 } atom: 633 70Y-HB3 B 3.319 ambi=2 { CB:37.489 } ::sumAvg: 4.68 atom: 651 72A-H N 8.347 ambi=1 { N:118.235 } atom: 626 69A-HB B 1.384 ambi=1 { CB:17.663 } ::sumAvg: 4.63 atom: 670 74A-H N 7.8 ambi=1 { N:121.011 } atom: 632 70Y-HB2 B 2.984 ambi=2 { CB:37.489 } :: atom: 670 74A-H N 7.8 ambi=1 { N:121.011 } atom: 633 70Y-HB3 B 3.319 ambi=2 { CB:37.489 } ::sumAvg: 4.935 atom: 676 75A-H N 7.359 ambi=1 { N:121.317 } atom: 651 72A-H N 8.347 ambi=1 { N:118.235 } ::sumAvg: 4.815 atom: 695 77E-H N 8.262 ambi=1 { N:115.676 } atom: 659 73L-HB2 B 1.753 ambi=2 { CB:42.296 } :: atom: 695 77E-H N 8.262 ambi=1 { N:115.676 } atom: 660 73L-HB3 B 1.671 ambi=2 { CB:42.296 } ::sumAvg: 4.56 atom: 670 74A-H N 7.8 ambi=1 { N:121.011 } atom: 684 76L-HB2 B 1.946 ambi=2 { CB:41.917 } :: atom: 670 74A-H N 7.8 ambi=1 { N:121.011 } atom: 685 76L-HB3 B 1.462 ambi=2 { CB:41.917 } ::sumAvg: 4.875 atom: 721 79L-H N 8.194 ambi=1 { N:115.31 } atom: 677 75A-HA A 2.052 ambi=1 { CA:53.885 } ::sumAvg: 3.86 atom: 682 76L-H N 8.543 ambi=1 { N:118.141 } atom: 699 77E-HG2 G 2.218 ambi=2 { CG:36.554 } :: atom: 682 76L-H N 8.543 ambi=1 { N:118.141 } atom: 700 77E-HG3 G 2.458 ambi=2 { CG:36.554 } ::sumAvg: 4.685 atom: 721 79L-H N 8.194 ambi=1 { N:115.31 } atom: 683 76L-HA A 3.94 ambi=1 { CA:58.157 } ::sumAvg: 3.68 atom: 721 79L-H N 8.194 ambi=1 { N:115.31 } atom: 696 77E-HA A 3.87 ambi=1 { CA:58.493 } ::sumAvg: 4.745 atom: 734 80F-H N 7.864 ambi=1 { N:116.554 } atom: 696 77E-HA A 3.87 ambi=1 { CA:58.493 } ::sumAvg: 4.21 atom: 734 80F-H N 7.864 ambi=1 { N:116.554 } atom: 706 78K-HA A 4.256 ambi=1 { CA:56.847 } ::sumAvg: 4.84 atom: 734 80F-H N 7.864 ambi=1 { N:116.554 } atom: 751 81P-HA A 4.414 ambi=1 { CA:63.401 } ::sumAvg: 4.39 atom: 807 87L-H N 8.192 ambi=1 { N:121.5 } atom: 821 88D-HA A 4.531 ambi=1 { CA:53.81 } ::sumAvg: 4.865 atom: 807 87L-H N 8.192 ambi=1 { N:121.5 } atom: 822 88D-HB2 B 2.665 ambi=2 { CB:40.945 } :: atom: 807 87L-H N 8.192 ambi=1 { N:121.5 } atom: 823 88D-HB3 B 2.585 ambi=2 { CB:40.945 } ::sumAvg: 4.78 atom: 833 90N-H N 8.376 ambi=1 { N:117.47 } atom: 821 88D-HA A 4.531 ambi=1 { CA:53.81 } ::sumAvg: 4.92 atom: 843 91K-H N 7.717 ambi=1 { N:126.141 } atom: 828 89A-HA A 4.252 ambi=1 { CA:52.504 } ::sumAvg: 4.845 atom: 837 90N-HD21 D2 7.632 ambi=2 { ND2:113.245 } atom: 833 90N-H N 8.376 ambi=1 { N:117.47 } :: atom: 838 90N-HD22 D2 6.89 ambi=2 { ND2:113.245 } atom: 833 90N-H N 8.376 ambi=1 { N:117.47 } ::sumAvg: 4.47 atom: 843 91K-H N 7.717 ambi=1 { N:126.141 } atom: 850 91K-QD D 1.6365 ambi=2 { CD:28.938 } ::sumAvg: 4.595