# created by ASDP Version 1.0 Copyright(C) 2010 # Missing interactons for n.peaks atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } atom: 1 1M-HA A 4.086 ambi=1 { CA:54.725 } ::sumAvg: 2.81 atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } atom: 3 1M-HB3 B 2.026 ambi=2 { CB:33.215 } :: atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } atom: 2 1M-HB2 B 2.087 ambi=2 { CB:33.215 } ::sumAvg: 3.43 atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } atom: 4 1M-HG2 G 2.537 ambi=2 { CG:31.024 } :: atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } atom: 5 1M-HG3 G 2.44 ambi=2 { CG:31.024 } ::sumAvg: 4.07 atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } atom: 6 1M-HE E 2.064 ambi=1 { CE:16.615 } ::sumAvg: 4.63 atom: 610 54A-H N 8.779 ambi=1 { N:126.778 } atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } :: atom: 610 54A-H N 8.779 ambi=1 { N:126.778 } atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } ::sumAvg: 3.695 atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } :: atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } ::sumAvg: 2.625 atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } atom: 13 2I-HA A 3.812 ambi=1 { CA:61.06 } ::sumAvg: 2.605 atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } atom: 14 2I-HB B 1.671 ambi=1 { CB:37.901 } ::sumAvg: 3.035 atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } ::sumAvg: 3.915 atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } ::sumAvg: 3.995 atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } ::sumAvg: 4.13 atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } ::sumAvg: 4.13 atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } ::sumAvg: 4.235 atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } ::sumAvg: 4.87 atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } :: atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } ::sumAvg: 4.97 atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } atom: 557 49L-HD1 D1 0.865 ambi=2 { CD1:25.355 } :: atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } atom: 558 49L-HD2 D2 0.737 ambi=2 { CD2:23.181 } ::sumAvg: 4.355 atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } ::sumAvg: 4 atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } ::sumAvg: 3.915 atom: 59 6A-H N 7.782 ambi=1 { N:122.579 } atom: 28 3F-HB2 B 2.901 ambi=1 { CB:39.219 } ::sumAvg: 4.905 atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } ::sumAvg: 2.955 atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } ::sumAvg: 4.67 atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } atom: 59 6A-H N 7.782 ambi=1 { N:122.579 } ::sumAvg: 4.38 atom: 59 6A-H N 7.782 ambi=1 { N:122.579 } atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } ::sumAvg: 4.38 atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } ::sumAvg: 4.83 atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } :: atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } ::sumAvg: 3.735 atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } ::sumAvg: 4.83 atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } atom: 60 6A-HA A 4.234 ambi=1 { CA:52.071 } ::sumAvg: 4.895 atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } ::sumAvg: 4.97 atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } ::sumAvg: 4.08 atom: 617 55V-H N 8.289 ambi=1 { N:120.191 } atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } ::sumAvg: 4.48 atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } atom: 41 4P-HA A 3.867 ambi=1 { CA:63.893 } ::sumAvg: 4.42 atom: 53 5G-H N 9.018 ambi=1 { N:113.008 } atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } :: atom: 53 5G-H N 9.018 ambi=1 { N:113.008 } atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } ::sumAvg: 3.455 atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } :: atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } ::sumAvg: 4.225 atom: 53 5G-H N 9.018 ambi=1 { N:113.008 } atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } :: atom: 53 5G-H N 9.018 ambi=1 { N:113.008 } atom: 45 4P-HG3 G 1.692 ambi=2 { CG:28.899 } ::sumAvg: 4.94 atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } :: atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } atom: 45 4P-HG3 G 1.692 ambi=2 { CG:28.899 } ::sumAvg: 2.71 atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } atom: 46 4P-QD D 3.786 ambi=2 { CD:50.76 } ::sumAvg: 3.325 atom: 53 5G-H N 9.018 ambi=1 { N:113.008 } atom: 60 6A-HA A 4.234 ambi=1 { CA:52.071 } ::sumAvg: 4.995 atom: 53 5G-H N 9.018 ambi=1 { N:113.008 } atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } ::sumAvg: 4.235 atom: 53 5G-H N 9.018 ambi=1 { N:113.008 } atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } ::sumAvg: 4.815 atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } atom: 53 5G-H N 9.018 ambi=1 { N:113.008 } ::sumAvg: 4.815 atom: 53 5G-H N 9.018 ambi=1 { N:113.008 } atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } :: atom: 53 5G-H N 9.018 ambi=1 { N:113.008 } atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } ::sumAvg: 4.9 atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } atom: 54 5G-HA2 A 4.515 ambi=2 { CA:44.363 } :: atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } atom: 55 5G-HA3 A 3.564 ambi=2 { CA:44.363 } ::sumAvg: 4.755 atom: 59 6A-H N 7.782 ambi=1 { N:122.579 } atom: 66 7T-H N 8.528 ambi=1 { N:118.546 } ::sumAvg: 4.515 atom: 66 7T-H N 8.528 ambi=1 { N:118.546 } atom: 59 6A-H N 7.782 ambi=1 { N:122.579 } ::sumAvg: 4.515 atom: 59 6A-H N 7.782 ambi=1 { N:122.579 } atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } ::sumAvg: 3.725 atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } atom: 59 6A-H N 7.782 ambi=1 { N:122.579 } ::sumAvg: 3.725 atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } ::sumAvg: 4.795 atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } ::sumAvg: 4.61 atom: 617 55V-H N 8.289 ambi=1 { N:120.191 } atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } ::sumAvg: 4.54 atom: 66 7T-H N 8.528 ambi=1 { N:118.546 } atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } ::sumAvg: 3.185 atom: 66 7T-H N 8.528 ambi=1 { N:118.546 } atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } ::sumAvg: 4.495 atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } atom: 66 7T-H N 8.528 ambi=1 { N:118.546 } ::sumAvg: 4.495 atom: 66 7T-H N 8.528 ambi=1 { N:118.546 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 66 7T-H N 8.528 ambi=1 { N:118.546 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 4.105 atom: 66 7T-H N 8.528 ambi=1 { N:118.546 } atom: 251 23L-QD D 0.789 ambi=2 { QCD:24.515 } ::sumAvg: 3.76 atom: 66 7T-H N 8.528 ambi=1 { N:118.546 } atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } ::sumAvg: 4.86 atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } atom: 66 7T-H N 8.528 ambi=1 { N:118.546 } ::sumAvg: 4.86 atom: 66 7T-H N 8.528 ambi=1 { N:118.546 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 66 7T-H N 8.528 ambi=1 { N:118.546 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 4.755 atom: 66 7T-H N 8.528 ambi=1 { N:118.546 } atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } :: atom: 66 7T-H N 8.528 ambi=1 { N:118.546 } atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } ::sumAvg: 4.835 atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } atom: 67 7T-HA A 5.065 ambi=1 { CA:62.562 } ::sumAvg: 4.62 atom: 617 55V-H N 8.289 ambi=1 { N:120.191 } atom: 68 7T-HB B 3.995 ambi=1 { CB:68.841 } ::sumAvg: 4.22 atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } ::sumAvg: 4.88 atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } ::sumAvg: 4.515 atom: 610 54A-H N 8.779 ambi=1 { N:126.778 } atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } ::sumAvg: 4.755 atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } ::sumAvg: 4.8 atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } ::sumAvg: 4.74 atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } :: atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } ::sumAvg: 4.605 atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } ::sumAvg: 4.97 atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } ::sumAvg: 4.97 atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } atom: 251 23L-QD D 0.789 ambi=2 { QCD:24.515 } ::sumAvg: 4.15 atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } ::sumAvg: 3.935 atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } atom: 617 55V-H N 8.289 ambi=1 { N:120.191 } ::sumAvg: 4.73 atom: 617 55V-H N 8.289 ambi=1 { N:120.191 } atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } ::sumAvg: 4.73 atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } :: atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } ::sumAvg: 3.73 atom: 229 21E-H N 8.447 ambi=1 { N:118.146 } atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } ::sumAvg: 4.935 atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } ::sumAvg: 3.405 atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } ::sumAvg: 4.735 atom: 94 9R-HE E 7.355 ambi=1 { NE:83.825 } atom: 88 9R-HB2 B 1.58 ambi=2 { CB:34.578 } :: atom: 94 9R-HE E 7.355 ambi=1 { NE:83.825 } atom: 89 9R-HB3 B 1.513 ambi=2 { CB:34.578 } ::sumAvg: 3.52 atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } atom: 88 9R-HB2 B 1.58 ambi=2 { CB:34.578 } :: atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } atom: 89 9R-HB3 B 1.513 ambi=2 { CB:34.578 } ::sumAvg: 4.775 atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } atom: 88 9R-HB2 B 1.58 ambi=2 { CB:34.578 } :: atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } atom: 89 9R-HB3 B 1.513 ambi=2 { CB:34.578 } ::sumAvg: 4.465 atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 4.66 atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 4.75 atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 4.36 atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } ::sumAvg: 2.935 atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } atom: 93 9R-HD3 D 3.089 ambi=2 { CD:43.305 } :: atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } atom: 92 9R-HD2 D 3.036 ambi=2 { CD:43.305 } ::sumAvg: 4.96 atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } ::sumAvg: 4.445 atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } ::sumAvg: 4.445 atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } ::sumAvg: 4.945 atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } ::sumAvg: 4.535 atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } ::sumAvg: 4.755 atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } :: atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } atom: 234 21E-HG3 G 2.004 ambi=2 { CG:36.351 } ::sumAvg: 4.635 atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } ::sumAvg: 4.54 atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } atom: 588 52L-HB3 B 0.887 ambi=1 { CB:47.265 } ::sumAvg: 4.23 atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } ::sumAvg: 4.7 atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } atom: 611 54A-HA A 4.629 ambi=1 { CA:52.493 } ::sumAvg: 3.88 atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } atom: 617 55V-H N 8.289 ambi=1 { N:120.191 } ::sumAvg: 4.325 atom: 617 55V-H N 8.289 ambi=1 { N:120.191 } atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } ::sumAvg: 4.325 atom: 94 9R-HE E 7.355 ambi=1 { NE:83.825 } atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } :: atom: 94 9R-HE E 7.355 ambi=1 { NE:83.825 } atom: 234 21E-HG3 G 2.004 ambi=2 { CG:36.351 } ::sumAvg: 4.69 atom: 94 9R-HE E 7.355 ambi=1 { NE:83.825 } atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } :: atom: 94 9R-HE E 7.355 ambi=1 { NE:83.825 } atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } ::sumAvg: 3.665 atom: 94 9R-HE E 7.355 ambi=1 { NE:83.825 } atom: 90 9R-HG2 G 1.35 ambi=2 { CG:26.955 } :: atom: 94 9R-HE E 7.355 ambi=1 { NE:83.825 } atom: 91 9R-HG3 G 1.306 ambi=2 { CG:26.955 } ::sumAvg: 2.69 atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } atom: 90 9R-HG2 G 1.35 ambi=2 { CG:26.955 } :: atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } atom: 91 9R-HG3 G 1.306 ambi=2 { CG:26.955 } ::sumAvg: 4.545 atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } atom: 93 9R-HD3 D 3.089 ambi=2 { CD:43.305 } :: atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } atom: 92 9R-HD2 D 3.036 ambi=2 { CD:43.305 } ::sumAvg: 4.925 atom: 113 11T-H N 9.01 ambi=1 { N:119.053 } atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } ::sumAvg: 4.22 atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } ::sumAvg: 4.41 atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } ::sumAvg: 4.54 atom: 126 12N-HD21 D2 8.732 ambi=1 { ND2:112.575 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 126 12N-HD21 D2 8.732 ambi=1 { ND2:112.575 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 4.16 atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 4.605 atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 3.6 atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 4.235 atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 4.625 atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } atom: 113 11T-H N 9.01 ambi=1 { N:119.053 } ::sumAvg: 4.495 atom: 113 11T-H N 9.01 ambi=1 { N:119.053 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } ::sumAvg: 4.495 atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } ::sumAvg: 4.605 atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } ::sumAvg: 4.705 atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } ::sumAvg: 4.655 atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } ::sumAvg: 4.03 atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } ::sumAvg: 4.03 atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } ::sumAvg: 3.83 atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } ::sumAvg: 3.83 atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } atom: 215 20F-HB2 B 3.388 ambi=1 { CB:39.39 } ::sumAvg: 4.56 atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } ::sumAvg: 3.76 atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } :: atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } atom: 234 21E-HG3 G 2.004 ambi=2 { CG:36.351 } ::sumAvg: 4.95 atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } ::sumAvg: 4.945 atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } ::sumAvg: 4.945 atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } ::sumAvg: 4.21 atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } ::sumAvg: 4.265 atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } :: atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 3.895 atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } ::sumAvg: 3.885 atom: 113 11T-H N 9.01 ambi=1 { N:119.053 } atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } ::sumAvg: 4.62 atom: 113 11T-H N 9.01 ambi=1 { N:119.053 } atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } ::sumAvg: 3.87 atom: 113 11T-H N 9.01 ambi=1 { N:119.053 } atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } ::sumAvg: 4.62 atom: 113 11T-H N 9.01 ambi=1 { N:119.053 } atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } ::sumAvg: 4.125 atom: 113 11T-H N 9.01 ambi=1 { N:119.053 } atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } ::sumAvg: 3.745 atom: 113 11T-H N 9.01 ambi=1 { N:119.053 } atom: 585 52L-H N 7.301 ambi=1 { N:116.595 } ::sumAvg: 4.83 atom: 585 52L-H N 7.301 ambi=1 { N:116.595 } atom: 113 11T-H N 9.01 ambi=1 { N:119.053 } ::sumAvg: 4.83 atom: 113 11T-H N 9.01 ambi=1 { N:119.053 } atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } ::sumAvg: 4.25 atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } atom: 113 11T-H N 9.01 ambi=1 { N:119.053 } ::sumAvg: 4.25 atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } atom: 114 11T-HA A 4.525 ambi=1 { CA:61.475 } ::sumAvg: 4.955 atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } ::sumAvg: 4.11 atom: 585 52L-H N 7.301 ambi=1 { N:116.595 } atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } ::sumAvg: 4.805 atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } ::sumAvg: 2.975 atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } atom: 126 12N-HD21 D2 8.732 ambi=1 { ND2:112.575 } ::sumAvg: 4.745 atom: 126 12N-HD21 D2 8.732 ambi=1 { ND2:112.575 } atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } ::sumAvg: 4.745 atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } atom: 133 13V-H N 7.956 ambi=1 { N:124.955 } ::sumAvg: 4.355 atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } ::sumAvg: 4.635 atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } :: atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } atom: 186 18Y-HB3 B 2.685 ambi=2 { CB:37.665 } ::sumAvg: 4.995 atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } ::sumAvg: 4.265 atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } ::sumAvg: 3.405 atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } ::sumAvg: 4.75 atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } ::sumAvg: 4.88 atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } :: atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 4.545 atom: 126 12N-HD21 D2 8.732 ambi=1 { ND2:112.575 } atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } :: atom: 127 12N-HD22 D2 7.106 ambi=1 { ND2:112.575 } atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } ::sumAvg: 4.235 atom: 144 14D-H N 7.544 ambi=1 { N:117.348 } atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } ::sumAvg: 3.82 atom: 144 14D-H N 7.544 ambi=1 { N:117.348 } atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } ::sumAvg: 3.955 atom: 126 12N-HD21 D2 8.732 ambi=1 { ND2:112.575 } atom: 144 14D-H N 7.544 ambi=1 { N:117.348 } :: atom: 127 12N-HD22 D2 7.106 ambi=1 { ND2:112.575 } atom: 144 14D-H N 7.544 ambi=1 { N:117.348 } ::sumAvg: 4.19 atom: 144 14D-H N 7.544 ambi=1 { N:117.348 } atom: 126 12N-HD21 D2 8.732 ambi=1 { ND2:112.575 } :: atom: 144 14D-H N 7.544 ambi=1 { N:117.348 } atom: 127 12N-HD22 D2 7.106 ambi=1 { ND2:112.575 } ::sumAvg: 4.19 atom: 127 12N-HD22 D2 7.106 ambi=1 { ND2:112.575 } atom: 146 14D-HB2 B 2.79 ambi=2 { CB:41.234 } :: atom: 127 12N-HD22 D2 7.106 ambi=1 { ND2:112.575 } atom: 147 14D-HB3 B 2.459 ambi=2 { CB:41.234 } ::sumAvg: 3.96 atom: 127 12N-HD22 D2 7.106 ambi=1 { ND2:112.575 } atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } ::sumAvg: 4.685 atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } atom: 127 12N-HD22 D2 7.106 ambi=1 { ND2:112.575 } ::sumAvg: 4.685 atom: 126 12N-HD21 D2 8.732 ambi=1 { ND2:112.575 } atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } :: atom: 127 12N-HD22 D2 7.106 ambi=1 { ND2:112.575 } atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } ::sumAvg: 4.715 atom: 126 12N-HD21 D2 8.732 ambi=1 { ND2:112.575 } atom: 154 15D-HB2 B 2.579 ambi=1 { CB:45.096 } :: atom: 126 12N-HD21 D2 8.732 ambi=1 { ND2:112.575 } atom: 155 15D-HB3 B 2.732 ambi=1 { CB:45.096 } :: atom: 127 12N-HD22 D2 7.106 ambi=1 { ND2:112.575 } atom: 154 15D-HB2 B 2.579 ambi=1 { CB:45.096 } :: atom: 127 12N-HD22 D2 7.106 ambi=1 { ND2:112.575 } atom: 155 15D-HB3 B 2.732 ambi=1 { CB:45.096 } ::sumAvg: 4.025 atom: 126 12N-HD21 D2 8.732 ambi=1 { ND2:112.575 } atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } ::sumAvg: 3.895 atom: 126 12N-HD21 D2 8.732 ambi=1 { ND2:112.575 } atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } ::sumAvg: 4.77 atom: 133 13V-H N 7.956 ambi=1 { N:124.955 } atom: 146 14D-HB2 B 2.79 ambi=2 { CB:41.234 } :: atom: 133 13V-H N 7.956 ambi=1 { N:124.955 } atom: 147 14D-HB3 B 2.459 ambi=2 { CB:41.234 } ::sumAvg: 4.905 atom: 133 13V-H N 7.956 ambi=1 { N:124.955 } atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } ::sumAvg: 4.15 atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } atom: 134 13V-HA A 2.231 ambi=1 { CA:62.567 } ::sumAvg: 4.1 atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } atom: 136 13V-QG G 0.696 ambi=2 { QCG:20.159 } ::sumAvg: 4.27 atom: 144 14D-H N 7.544 ambi=1 { N:117.348 } atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } :: atom: 144 14D-H N 7.544 ambi=1 { N:117.348 } atom: 186 18Y-HB3 B 2.685 ambi=2 { CB:37.665 } ::sumAvg: 4.88 atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } atom: 145 14D-HA A 4.612 ambi=1 { CA:54.126 } ::sumAvg: 2.89 atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } atom: 146 14D-HB2 B 2.79 ambi=2 { CB:41.234 } :: atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } atom: 147 14D-HB3 B 2.459 ambi=2 { CB:41.234 } ::sumAvg: 3.66 atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } atom: 160 16T-H N 8.588 ambi=1 { N:124.36 } ::sumAvg: 4.46 atom: 160 16T-H N 8.588 ambi=1 { N:124.36 } atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } ::sumAvg: 4.46 atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } ::sumAvg: 4.855 atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } ::sumAvg: 4.855 atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } ::sumAvg: 4.87 atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } ::sumAvg: 4.085 atom: 160 16T-H N 8.588 ambi=1 { N:124.36 } atom: 154 15D-HB2 B 2.579 ambi=1 { CB:45.096 } :: atom: 160 16T-H N 8.588 ambi=1 { N:124.36 } atom: 155 15D-HB3 B 2.732 ambi=1 { CB:45.096 } ::sumAvg: 2.97 atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } atom: 154 15D-HB2 B 2.579 ambi=1 { CB:45.096 } :: atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } atom: 155 15D-HB3 B 2.732 ambi=1 { CB:45.096 } ::sumAvg: 3.265 atom: 160 16T-H N 8.588 ambi=1 { N:124.36 } atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } ::sumAvg: 4.48 atom: 160 16T-H N 8.588 ambi=1 { N:124.36 } atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } ::sumAvg: 4.925 atom: 160 16T-H N 8.588 ambi=1 { N:124.36 } atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } ::sumAvg: 4.22 atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } atom: 160 16T-H N 8.588 ambi=1 { N:124.36 } ::sumAvg: 4.22 atom: 160 16T-H N 8.588 ambi=1 { N:124.36 } atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } ::sumAvg: 4.645 atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } atom: 163 16T-HG2 G2 0.634 ambi=1 { CG2:21.003 } ::sumAvg: 3.91 atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } atom: 163 16T-HG2 G2 0.634 ambi=1 { CG2:21.003 } ::sumAvg: 4.825 atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } ::sumAvg: 4.8 atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } ::sumAvg: 4.53 atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } ::sumAvg: 4.99 atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } ::sumAvg: 4.405 atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } atom: 530 47F-HZ Z 7.092 ambi=1 { CZ:129.538 } ::sumAvg: 4.37 atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } ::sumAvg: 3.61 atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } ::sumAvg: 4.6 atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } ::sumAvg: 3.72 atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } ::sumAvg: 4.785 atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } ::sumAvg: 4.185 atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } ::sumAvg: 4.17 atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } atom: 201 19R-HG2 G 0.225 ambi=2 { CG:26.799 } :: atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } atom: 202 19R-HG3 G 0.754 ambi=2 { CG:26.799 } ::sumAvg: 4.89 atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } ::sumAvg: 4.57 atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } ::sumAvg: 4.57 atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } ::sumAvg: 4.11 atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } :: atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } atom: 186 18Y-HB3 B 2.685 ambi=2 { CB:37.665 } ::sumAvg: 4.28 atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } atom: 189 18Y-QE E 6.73 ambi=3 { CE1:118.142 } ::sumAvg: 4.935 atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } atom: 199 19R-HB2 B 1.846 ambi=2 { CB:27.991 } :: atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } atom: 200 19R-HB3 B 1.696 ambi=2 { CB:27.991 } ::sumAvg: 3.605 atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } atom: 203 19R-QD D 2.809 ambi=2 { CD:43.32 } ::sumAvg: 4.83 atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } atom: 214 20F-HA A 4.378 ambi=1 { CA:58.661 } ::sumAvg: 4.8 atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } atom: 215 20F-HB2 B 3.388 ambi=1 { CB:39.39 } ::sumAvg: 4.46 atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } atom: 198 19R-HA A 3.273 ambi=1 { CA:59.502 } ::sumAvg: 3.22 atom: 205 19R-HE E 6.825 ambi=1 { NE:84.625 } atom: 199 19R-HB2 B 1.846 ambi=2 { CB:27.991 } :: atom: 205 19R-HE E 6.825 ambi=1 { NE:84.625 } atom: 200 19R-HB3 B 1.696 ambi=2 { CB:27.991 } ::sumAvg: 3.555 atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } atom: 199 19R-HB2 B 1.846 ambi=2 { CB:27.991 } :: atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } atom: 200 19R-HB3 B 1.696 ambi=2 { CB:27.991 } ::sumAvg: 3.97 atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } atom: 201 19R-HG2 G 0.225 ambi=2 { CG:26.799 } :: atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } atom: 202 19R-HG3 G 0.754 ambi=2 { CG:26.799 } ::sumAvg: 3.855 atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } atom: 219 20F-QE E 7.249 ambi=3 { CE1:131.108 } ::sumAvg: 4.88 atom: 229 21E-H N 8.447 ambi=1 { N:118.146 } atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } ::sumAvg: 4.5 atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } ::sumAvg: 4.66 atom: 229 21E-H N 8.447 ambi=1 { N:118.146 } atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } ::sumAvg: 3.785 atom: 229 21E-H N 8.447 ambi=1 { N:118.146 } atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } ::sumAvg: 4.13 atom: 229 21E-H N 8.447 ambi=1 { N:118.146 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } ::sumAvg: 3.95 atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } :: atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } atom: 234 21E-HG3 G 2.004 ambi=2 { CG:36.351 } ::sumAvg: 3.645 atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } ::sumAvg: 4.395 atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } ::sumAvg: 4.395 atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } atom: 247 23L-HA A 5.035 ambi=1 { CA:52.941 } ::sumAvg: 4.79 atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } ::sumAvg: 4.3 atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } :: atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } ::sumAvg: 4.71 atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } :: atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } ::sumAvg: 4.41 atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } :: atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } ::sumAvg: 4.925 atom: 406 37E-H N 8.85 ambi=1 { N:120.972 } atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } :: atom: 406 37E-H N 8.85 ambi=1 { N:120.972 } atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } ::sumAvg: 4.39 atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } ::sumAvg: 4.41 atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } ::sumAvg: 4.41 atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } ::sumAvg: 4.32 atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } ::sumAvg: 4.74 atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } atom: 380 35L-HG G 1.239 ambi=1 { CG:27.153 } ::sumAvg: 4.545 atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } atom: 391 36F-HA A 5.149 ambi=1 { CA:56.443 } ::sumAvg: 3.845 atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } ::sumAvg: 4.945 atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } atom: 247 23L-HA A 5.035 ambi=1 { CA:52.941 } ::sumAvg: 4.72 atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } atom: 248 23L-HB2 B 1.499 ambi=2 { CB:45.451 } :: atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } atom: 249 23L-HB3 B 1.396 ambi=2 { CB:45.451 } ::sumAvg: 3.94 atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } ::sumAvg: 4.455 atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } ::sumAvg: 4.455 atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } ::sumAvg: 4.5 atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } ::sumAvg: 4.055 atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } ::sumAvg: 4.78 atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } ::sumAvg: 4.78 atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } atom: 261 24V-HA A 3.823 ambi=1 { CA:63.893 } ::sumAvg: 4.65 atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } atom: 261 24V-HA A 3.823 ambi=1 { CA:63.893 } ::sumAvg: 4.78 atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } atom: 261 24V-HA A 3.823 ambi=1 { CA:63.893 } ::sumAvg: 3.46 atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 3.675 atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } ::sumAvg: 4.885 atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } ::sumAvg: 4.855 atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 4.705 atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } ::sumAvg: 4.03 atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } ::sumAvg: 4.905 atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } ::sumAvg: 3.245 atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } ::sumAvg: 3.57 atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } atom: 378 35L-HB2 B 1.078 ambi=1 { CB:45.035 } :: atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } atom: 379 35L-HB3 B 1.836 ambi=1 { CB:45.035 } ::sumAvg: 4.65 atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } ::sumAvg: 3.495 atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } atom: 289 26R-HG2 G 1.537 ambi=2 { CG:27.098 } :: atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } atom: 290 26R-HG3 G 1.445 ambi=2 { CG:27.098 } ::sumAvg: 3.76 atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } atom: 291 26R-QD D 3.13 ambi=2 { CD:42.927 } ::sumAvg: 4.715 atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } ::sumAvg: 4.185 atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } ::sumAvg: 4.615 atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } :: atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } ::sumAvg: 4.155 atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } ::sumAvg: 4.595 atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 4.26 atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } atom: 493 44L-HD1 D1 0.633 ambi=2 { CD1:24.083 } :: atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } atom: 494 44L-HD2 D2 0.727 ambi=2 { CD2:25.388 } ::sumAvg: 4.67 atom: 293 26R-HE E 7.203 ambi=1 { NE:84.113 } atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } ::sumAvg: 4.725 atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } ::sumAvg: 4.895 atom: 293 26R-HE E 7.203 ambi=1 { NE:84.113 } atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } ::sumAvg: 3.41 atom: 293 26R-HE E 7.203 ambi=1 { NE:84.113 } atom: 289 26R-HG2 G 1.537 ambi=2 { CG:27.098 } :: atom: 293 26R-HE E 7.203 ambi=1 { NE:84.113 } atom: 290 26R-HG3 G 1.445 ambi=2 { CG:27.098 } ::sumAvg: 2.8 atom: 293 26R-HE E 7.203 ambi=1 { NE:84.113 } atom: 291 26R-QD D 3.13 ambi=2 { CD:42.927 } ::sumAvg: 2.46 atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } atom: 291 26R-QD D 3.13 ambi=2 { CD:42.927 } ::sumAvg: 4.095 atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } ::sumAvg: 4.745 atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 4.74 atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } ::sumAvg: 4.99 atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } ::sumAvg: 4.99 atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } ::sumAvg: 4.76 atom: 312 28S-H N 8.781 ambi=1 { N:119.413 } atom: 303 27V-HB B 1.926 ambi=1 { CB:34.529 } ::sumAvg: 4.235 atom: 320 29D-H N 9.233 ambi=1 { N:125.003 } atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } :: atom: 320 29D-H N 9.233 ambi=1 { N:125.003 } atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } ::sumAvg: 3.405 atom: 312 28S-H N 8.781 ambi=1 { N:119.413 } atom: 320 29D-H N 9.233 ambi=1 { N:125.003 } ::sumAvg: 3.63 atom: 320 29D-H N 9.233 ambi=1 { N:125.003 } atom: 312 28S-H N 8.781 ambi=1 { N:119.413 } ::sumAvg: 3.63 atom: 312 28S-H N 8.781 ambi=1 { N:119.413 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } ::sumAvg: 4.815 atom: 312 28S-H N 8.781 ambi=1 { N:119.413 } atom: 336 31K-HB2 B 1.757 ambi=1 { CB:36.337 } :: atom: 312 28S-H N 8.781 ambi=1 { N:119.413 } atom: 337 31K-HB3 B 1.569 ambi=1 { CB:36.337 } ::sumAvg: 3.86 atom: 312 28S-H N 8.781 ambi=1 { N:119.413 } atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } ::sumAvg: 4.565 atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } atom: 312 28S-H N 8.781 ambi=1 { N:119.413 } ::sumAvg: 4.565 atom: 312 28S-H N 8.781 ambi=1 { N:119.413 } atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } ::sumAvg: 2.835 atom: 312 28S-H N 8.781 ambi=1 { N:119.413 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 3.82 atom: 312 28S-H N 8.781 ambi=1 { N:119.413 } atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } ::sumAvg: 4.775 atom: 328 30G-H N 8.834 ambi=1 { N:104.177 } atom: 313 28S-HA A 4.556 ambi=1 { CA:57.78 } ::sumAvg: 4.535 atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } atom: 313 28S-HA A 4.556 ambi=1 { CA:57.78 } ::sumAvg: 4.575 atom: 328 30G-H N 8.834 ambi=1 { N:104.177 } atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } ::sumAvg: 4.48 atom: 320 29D-H N 9.233 ambi=1 { N:125.003 } atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } ::sumAvg: 3.945 atom: 320 29D-H N 9.233 ambi=1 { N:125.003 } atom: 557 49L-HD1 D1 0.865 ambi=2 { CD1:25.355 } :: atom: 320 29D-H N 9.233 ambi=1 { N:125.003 } atom: 558 49L-HD2 D2 0.737 ambi=2 { CD2:23.181 } ::sumAvg: 4.815 atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } atom: 321 29D-HA A 4.327 ambi=1 { CA:55.165 } ::sumAvg: 4.245 atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } atom: 322 29D-HB2 B 2.903 ambi=2 { CB:39.851 } :: atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } atom: 323 29D-HB3 B 2.538 ambi=2 { CB:39.851 } ::sumAvg: 4.085 atom: 328 30G-H N 8.834 ambi=1 { N:104.177 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } ::sumAvg: 4.855 atom: 328 30G-H N 8.834 ambi=1 { N:104.177 } atom: 336 31K-HB2 B 1.757 ambi=1 { CB:36.337 } ::sumAvg: 4.52 atom: 328 30G-H N 8.834 ambi=1 { N:104.177 } atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } :: atom: 328 30G-H N 8.834 ambi=1 { N:104.177 } atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } ::sumAvg: 4.535 atom: 328 30G-H N 8.834 ambi=1 { N:104.177 } atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } ::sumAvg: 4.21 atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } ::sumAvg: 4.43 atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } ::sumAvg: 4.84 atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 4.84 atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } ::sumAvg: 4.99 atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } ::sumAvg: 4.68 atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } :: atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } ::sumAvg: 3.955 atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } :: atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } ::sumAvg: 4.125 atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } atom: 342 31K-QE E 2.898 ambi=2 { CE:41.982 } ::sumAvg: 4.895 atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } ::sumAvg: 4.27 atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } ::sumAvg: 4.27 atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } ::sumAvg: 4.635 atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } ::sumAvg: 4.31 atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } ::sumAvg: 2.88 atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } ::sumAvg: 4.76 atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } ::sumAvg: 4.15 atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } atom: 552 49L-H N 8.069 ambi=1 { N:121.403 } ::sumAvg: 4.505 atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } ::sumAvg: 4.75 atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } ::sumAvg: 4.025 atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } ::sumAvg: 4.965 atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 4.655 atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 3.94 atom: 552 49L-H N 8.069 ambi=1 { N:121.403 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 4.825 atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } ::sumAvg: 4.375 atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } ::sumAvg: 4.375 atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } ::sumAvg: 4.495 atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } ::sumAvg: 3.755 atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } ::sumAvg: 4.98 atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } ::sumAvg: 4.98 atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } ::sumAvg: 3.42 atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } ::sumAvg: 4.675 atom: 513 46T-H N 8.178 ambi=1 { N:122.218 } atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } ::sumAvg: 4.805 atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } ::sumAvg: 4.315 atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } ::sumAvg: 4.315 atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } ::sumAvg: 4.885 atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } ::sumAvg: 4.76 atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } atom: 492 44L-HG G 1.282 ambi=1 { CG:26.697 } ::sumAvg: 4.4 atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } atom: 504 45V-HB B 1.695 ambi=1 { CB:35.267 } ::sumAvg: 4.465 atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } :: atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } ::sumAvg: 4.61 atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } atom: 513 46T-H N 8.178 ambi=1 { N:122.218 } ::sumAvg: 4.56 atom: 513 46T-H N 8.178 ambi=1 { N:122.218 } atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } ::sumAvg: 4.56 atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } ::sumAvg: 4.47 atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } ::sumAvg: 3.68 atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } ::sumAvg: 3.68 atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } ::sumAvg: 3.655 atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } ::sumAvg: 4.39 atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } :: atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 4.635 atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } ::sumAvg: 3.92 atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } ::sumAvg: 4.65 atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } ::sumAvg: 4.405 atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } atom: 380 35L-HG G 1.239 ambi=1 { CG:27.153 } ::sumAvg: 4.355 atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } ::sumAvg: 4.425 atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } ::sumAvg: 4.425 atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } ::sumAvg: 4.61 atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } atom: 492 44L-HG G 1.282 ambi=1 { CG:26.697 } ::sumAvg: 4.705 atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } ::sumAvg: 4.56 atom: 488 44L-H N 8.271 ambi=1 { N:127.381 } atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } ::sumAvg: 4.665 atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } atom: 378 35L-HB2 B 1.078 ambi=1 { CB:45.035 } :: atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } atom: 379 35L-HB3 B 1.836 ambi=1 { CB:45.035 } ::sumAvg: 4.07 atom: 406 37E-H N 8.85 ambi=1 { N:120.972 } atom: 380 35L-HG G 1.239 ambi=1 { CG:27.153 } ::sumAvg: 4.4 atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } atom: 380 35L-HG G 1.239 ambi=1 { CG:27.153 } ::sumAvg: 4.305 atom: 488 44L-H N 8.271 ambi=1 { N:127.381 } atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } :: atom: 488 44L-H N 8.271 ambi=1 { N:127.381 } atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } ::sumAvg: 3.485 atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } :: atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } ::sumAvg: 4.365 atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } ::sumAvg: 4.775 atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } atom: 406 37E-H N 8.85 ambi=1 { N:120.972 } ::sumAvg: 4.435 atom: 406 37E-H N 8.85 ambi=1 { N:120.972 } atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } ::sumAvg: 4.435 atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } ::sumAvg: 4.675 atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } ::sumAvg: 4.865 atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } atom: 473 43K-HB2 B 1.634 ambi=2 { CB:36.014 } :: atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } atom: 474 43K-HB3 B 1.527 ambi=2 { CB:36.014 } ::sumAvg: 4.07 atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } atom: 475 43K-QG G 1.363 ambi=2 { CG:24.75 } ::sumAvg: 4.75 atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } atom: 488 44L-H N 8.271 ambi=1 { N:127.381 } ::sumAvg: 4.845 atom: 488 44L-H N 8.271 ambi=1 { N:127.381 } atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } ::sumAvg: 4.845 atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } atom: 490 44L-HB2 B 1.659 ambi=1 { CB:43.359 } ::sumAvg: 4.52 atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } atom: 391 36F-HA A 5.149 ambi=1 { CA:56.443 } ::sumAvg: 4.86 atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } :: atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } atom: 393 36F-HB3 B 3.477 ambi=1 { CB:40.699 } ::sumAvg: 3.385 atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } ::sumAvg: 4.705 atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } ::sumAvg: 3.59 atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } ::sumAvg: 4.035 atom: 406 37E-H N 8.85 ambi=1 { N:120.972 } atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } ::sumAvg: 4.86 atom: 444 41W-H N 7.971 ambi=1 { N:120.597 } atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } ::sumAvg: 4.87 atom: 463 42D-H N 7.932 ambi=1 { N:121.388 } atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } ::sumAvg: 4.765 atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } ::sumAvg: 3.92 atom: 428 39G-H N 8.852 ambi=1 { N:112.983 } atom: 408 37E-HB2 B 2.081 ambi=2 { CB:31.968 } :: atom: 428 39G-H N 8.852 ambi=1 { N:112.983 } atom: 409 37E-HB3 B 1.999 ambi=2 { CB:31.968 } ::sumAvg: 4.46 atom: 428 39G-H N 8.852 ambi=1 { N:112.983 } atom: 410 37E-QG G 2.249 ambi=2 { CG:35.889 } ::sumAvg: 4.03 atom: 444 41W-H N 7.971 ambi=1 { N:120.597 } atom: 410 37E-QG G 2.249 ambi=2 { CG:35.889 } ::sumAvg: 4.78 atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } atom: 410 37E-QG G 2.249 ambi=2 { CG:35.889 } ::sumAvg: 4.785 atom: 417 38N-H N 8.751 ambi=1 { N:120.983 } atom: 421 38N-HD21 D2 7.39 ambi=2 { ND2:111.776 } :: atom: 417 38N-H N 8.751 ambi=1 { N:120.983 } atom: 422 38N-HD22 D2 6.642 ambi=2 { ND2:111.776 } ::sumAvg: 4.795 atom: 421 38N-HD21 D2 7.39 ambi=2 { ND2:111.776 } atom: 417 38N-H N 8.751 ambi=1 { N:120.983 } :: atom: 422 38N-HD22 D2 6.642 ambi=2 { ND2:111.776 } atom: 417 38N-H N 8.751 ambi=1 { N:120.983 } ::sumAvg: 4.795 atom: 417 38N-H N 8.751 ambi=1 { N:120.983 } atom: 429 39G-HA2 A 3.713 ambi=2 { CA:46.389 } :: atom: 417 38N-H N 8.751 ambi=1 { N:120.983 } atom: 430 39G-HA3 A 4.007 ambi=2 { CA:46.389 } ::sumAvg: 4.815 atom: 417 38N-H N 8.751 ambi=1 { N:120.983 } atom: 444 41W-H N 7.971 ambi=1 { N:120.597 } ::sumAvg: 4.51 atom: 444 41W-H N 7.971 ambi=1 { N:120.597 } atom: 417 38N-H N 8.751 ambi=1 { N:120.983 } ::sumAvg: 4.51 atom: 417 38N-H N 8.751 ambi=1 { N:120.983 } atom: 447 41W-HB3 B 3.477 ambi=1 { CB:29.988 } ::sumAvg: 4.78 atom: 417 38N-H N 8.751 ambi=1 { N:120.983 } atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } ::sumAvg: 4.77 atom: 421 38N-HD21 D2 7.39 ambi=2 { ND2:111.776 } atom: 446 41W-HB2 B 3.245 ambi=1 { CB:29.988 } :: atom: 421 38N-HD21 D2 7.39 ambi=2 { ND2:111.776 } atom: 447 41W-HB3 B 3.477 ambi=1 { CB:29.988 } :: atom: 422 38N-HD22 D2 6.642 ambi=2 { ND2:111.776 } atom: 446 41W-HB2 B 3.245 ambi=1 { CB:29.988 } :: atom: 422 38N-HD22 D2 6.642 ambi=2 { ND2:111.776 } atom: 447 41W-HB3 B 3.477 ambi=1 { CB:29.988 } ::sumAvg: 3.795 atom: 428 39G-H N 8.852 ambi=1 { N:112.983 } atom: 434 40N-HA A 4.702 ambi=1 { CA:53.344 } ::sumAvg: 4.945 atom: 428 39G-H N 8.852 ambi=1 { N:112.983 } atom: 444 41W-H N 7.971 ambi=1 { N:120.597 } ::sumAvg: 3.595 atom: 444 41W-H N 7.971 ambi=1 { N:120.597 } atom: 428 39G-H N 8.852 ambi=1 { N:112.983 } ::sumAvg: 3.595 atom: 428 39G-H N 8.852 ambi=1 { N:112.983 } atom: 446 41W-HB2 B 3.245 ambi=1 { CB:29.988 } :: atom: 428 39G-H N 8.852 ambi=1 { N:112.983 } atom: 447 41W-HB3 B 3.477 ambi=1 { CB:29.988 } ::sumAvg: 4.12 atom: 444 41W-H N 7.971 ambi=1 { N:120.597 } atom: 429 39G-HA2 A 3.713 ambi=2 { CA:46.389 } :: atom: 444 41W-H N 7.971 ambi=1 { N:120.597 } atom: 430 39G-HA3 A 4.007 ambi=2 { CA:46.389 } ::sumAvg: 4.095 atom: 433 40N-H N 8.621 ambi=1 { N:121.824 } atom: 434 40N-HA A 4.702 ambi=1 { CA:53.344 } ::sumAvg: 2.605 atom: 433 40N-H N 8.621 ambi=1 { N:121.824 } atom: 437 40N-HD21 D2 7.448 ambi=2 { ND2:112.187 } :: atom: 433 40N-H N 8.621 ambi=1 { N:121.824 } atom: 438 40N-HD22 D2 6.89 ambi=2 { ND2:112.187 } ::sumAvg: 4.425 atom: 437 40N-HD21 D2 7.448 ambi=2 { ND2:112.187 } atom: 433 40N-H N 8.621 ambi=1 { N:121.824 } :: atom: 438 40N-HD22 D2 6.89 ambi=2 { ND2:112.187 } atom: 433 40N-H N 8.621 ambi=1 { N:121.824 } ::sumAvg: 4.425 atom: 433 40N-H N 8.621 ambi=1 { N:121.824 } atom: 446 41W-HB2 B 3.245 ambi=1 { CB:29.988 } ::sumAvg: 4.525 atom: 437 40N-HD21 D2 7.448 ambi=2 { ND2:112.187 } atom: 434 40N-HA A 4.702 ambi=1 { CA:53.344 } :: atom: 438 40N-HD22 D2 6.89 ambi=2 { ND2:112.187 } atom: 434 40N-HA A 4.702 ambi=1 { CA:53.344 } ::sumAvg: 4.385 atom: 444 41W-H N 7.971 ambi=1 { N:120.597 } atom: 448 41W-HD1 D1 7.312 ambi=1 { CD1:127.764 } ::sumAvg: 4.35 atom: 449 41W-HE1 E1 10.159 ambi=1 { NE1:129.361 } atom: 446 41W-HB2 B 3.245 ambi=1 { CB:29.988 } ::sumAvg: 4.995 atom: 463 42D-H N 7.932 ambi=1 { N:121.388 } atom: 448 41W-HD1 D1 7.312 ambi=1 { CD1:127.764 } ::sumAvg: 4.605 atom: 463 42D-H N 7.932 ambi=1 { N:121.388 } atom: 450 41W-HE3 E3 7.504 ambi=1 { CE3:120.81 } ::sumAvg: 4.27 atom: 463 42D-H N 7.932 ambi=1 { N:121.388 } atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } ::sumAvg: 4.015 atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } atom: 463 42D-H N 7.932 ambi=1 { N:121.388 } ::sumAvg: 4.015 atom: 463 42D-H N 7.932 ambi=1 { N:121.388 } atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } ::sumAvg: 4.875 atom: 463 42D-H N 7.932 ambi=1 { N:121.388 } atom: 473 43K-HB2 B 1.634 ambi=2 { CB:36.014 } :: atom: 463 42D-H N 7.932 ambi=1 { N:121.388 } atom: 474 43K-HB3 B 1.527 ambi=2 { CB:36.014 } ::sumAvg: 4.285 atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } atom: 475 43K-QG G 1.363 ambi=2 { CG:24.75 } ::sumAvg: 4.215 atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } atom: 477 43K-QD D 1.697 ambi=2 { CD:28.883 } ::sumAvg: 4.775 atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } ::sumAvg: 4.54 atom: 488 44L-H N 8.271 ambi=1 { N:127.381 } atom: 475 43K-QG G 1.363 ambi=2 { CG:24.75 } ::sumAvg: 2.815 atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } atom: 475 43K-QG G 1.363 ambi=2 { CG:24.75 } ::sumAvg: 4.185 atom: 488 44L-H N 8.271 ambi=1 { N:127.381 } atom: 479 43K-QE E 2.999 ambi=2 { CE:41.994 } ::sumAvg: 4.225 atom: 488 44L-H N 8.271 ambi=1 { N:127.381 } atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } ::sumAvg: 4.355 atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } atom: 488 44L-H N 8.271 ambi=1 { N:127.381 } ::sumAvg: 4.355 atom: 488 44L-H N 8.271 ambi=1 { N:127.381 } atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } :: atom: 488 44L-H N 8.271 ambi=1 { N:127.381 } atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } ::sumAvg: 3.885 atom: 513 46T-H N 8.178 ambi=1 { N:122.218 } atom: 493 44L-HD1 D1 0.633 ambi=2 { CD1:24.083 } :: atom: 513 46T-H N 8.178 ambi=1 { N:122.218 } atom: 494 44L-HD2 D2 0.727 ambi=2 { CD2:25.388 } ::sumAvg: 4.63 atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } atom: 513 46T-H N 8.178 ambi=1 { N:122.218 } ::sumAvg: 4.345 atom: 513 46T-H N 8.178 ambi=1 { N:122.218 } atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } ::sumAvg: 4.345 atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } ::sumAvg: 4.765 atom: 513 46T-H N 8.178 ambi=1 { N:122.218 } atom: 504 45V-HB B 1.695 ambi=1 { CB:35.267 } ::sumAvg: 4.11 atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } :: atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } ::sumAvg: 4.285 atom: 513 46T-H N 8.178 ambi=1 { N:122.218 } atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } ::sumAvg: 4.435 atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } atom: 513 46T-H N 8.178 ambi=1 { N:122.218 } ::sumAvg: 4.435 atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } ::sumAvg: 4.735 atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } ::sumAvg: 4.87 atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } ::sumAvg: 4.98 atom: 574 51E-H N 7.82 ambi=1 { N:120.614 } atom: 525 47F-HB3 B 3.45 ambi=1 { CB:44.197 } ::sumAvg: 4.575 atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } ::sumAvg: 3.735 atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } atom: 544 48R-HD2 D 3.282 ambi=2 { CD:43.327 } :: atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } atom: 545 48R-HD3 D 3.229 ambi=2 { CD:43.327 } ::sumAvg: 4.97 atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } atom: 552 49L-H N 8.069 ambi=1 { N:121.403 } ::sumAvg: 4.565 atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } atom: 574 51E-H N 7.82 ambi=1 { N:120.614 } ::sumAvg: 3.965 atom: 574 51E-H N 7.82 ambi=1 { N:120.614 } atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } ::sumAvg: 3.965 atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } ::sumAvg: 2.63 atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } ::sumAvg: 4.29 atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } :: atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 4.62 atom: 566 50S-H N 7.858 ambi=1 { N:108.609 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } ::sumAvg: 4.03 atom: 574 51E-H N 7.82 ambi=1 { N:120.614 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } ::sumAvg: 4.375 atom: 552 49L-H N 8.069 ambi=1 { N:121.403 } atom: 544 48R-HD2 D 3.282 ambi=2 { CD:43.327 } :: atom: 552 49L-H N 8.069 ambi=1 { N:121.403 } atom: 545 48R-HD3 D 3.229 ambi=2 { CD:43.327 } ::sumAvg: 4.925 atom: 566 50S-H N 7.858 ambi=1 { N:108.609 } atom: 544 48R-HD2 D 3.282 ambi=2 { CD:43.327 } :: atom: 566 50S-H N 7.858 ambi=1 { N:108.609 } atom: 545 48R-HD3 D 3.229 ambi=2 { CD:43.327 } ::sumAvg: 4.715 atom: 552 49L-H N 8.069 ambi=1 { N:121.403 } atom: 569 50S-HB3 B 3.867 ambi=1 { CB:62.312 } ::sumAvg: 4.78 atom: 552 49L-H N 8.069 ambi=1 { N:121.403 } atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } :: atom: 552 49L-H N 8.069 ambi=1 { N:121.403 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 4.5 atom: 566 50S-H N 7.858 ambi=1 { N:108.609 } atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } ::sumAvg: 3.44 atom: 574 51E-H N 7.82 ambi=1 { N:120.614 } atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } ::sumAvg: 3.705 atom: 585 52L-H N 7.301 ambi=1 { N:116.595 } atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } ::sumAvg: 3.465 atom: 574 51E-H N 7.82 ambi=1 { N:120.614 } atom: 554 49L-HB2 B 1.722 ambi=1 { CB:40.688 } ::sumAvg: 4.75 atom: 566 50S-H N 7.858 ambi=1 { N:108.609 } atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } ::sumAvg: 4.5 atom: 566 50S-H N 7.858 ambi=1 { N:108.609 } atom: 557 49L-HD1 D1 0.865 ambi=2 { CD1:25.355 } :: atom: 566 50S-H N 7.858 ambi=1 { N:108.609 } atom: 558 49L-HD2 D2 0.737 ambi=2 { CD2:23.181 } ::sumAvg: 4.695 atom: 566 50S-H N 7.858 ambi=1 { N:108.609 } atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } ::sumAvg: 4.44 atom: 566 50S-H N 7.858 ambi=1 { N:108.609 } atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } ::sumAvg: 3.975 atom: 566 50S-H N 7.858 ambi=1 { N:108.609 } atom: 585 52L-H N 7.301 ambi=1 { N:116.595 } ::sumAvg: 3.955 atom: 585 52L-H N 7.301 ambi=1 { N:116.595 } atom: 567 50S-HA A 4.269 ambi=1 { CA:59.496 } ::sumAvg: 3.665 atom: 574 51E-H N 7.82 ambi=1 { N:120.614 } atom: 568 50S-HB2 B 4.099 ambi=1 { CB:62.312 } :: atom: 574 51E-H N 7.82 ambi=1 { N:120.614 } atom: 569 50S-HB3 B 3.867 ambi=1 { CB:62.312 } ::sumAvg: 4.15 atom: 574 51E-H N 7.82 ambi=1 { N:120.614 } atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } ::sumAvg: 4.905 atom: 574 51E-H N 7.82 ambi=1 { N:120.614 } atom: 587 52L-HB2 B 1.757 ambi=1 { CB:47.265 } ::sumAvg: 4.185 atom: 574 51E-H N 7.82 ambi=1 { N:120.614 } atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } :: atom: 574 51E-H N 7.82 ambi=1 { N:120.614 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 4.655 atom: 585 52L-H N 7.301 ambi=1 { N:116.595 } atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } ::sumAvg: 4.345 atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } atom: 585 52L-H N 7.301 ambi=1 { N:116.595 } ::sumAvg: 4.47 atom: 585 52L-H N 7.301 ambi=1 { N:116.595 } atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } ::sumAvg: 4.955 atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } ::sumAvg: 4.935 atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } :: atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } ::sumAvg: 4.705 atom: 617 55V-H N 8.289 ambi=1 { N:120.191 } atom: 603 53E-QG G 2.13 ambi=2 { CG:35.465 } ::sumAvg: 4.905 atom: 610 54A-H N 8.779 ambi=1 { N:126.778 } atom: 617 55V-H N 8.289 ambi=1 { N:120.191 } ::sumAvg: 4.575 atom: 617 55V-H N 8.289 ambi=1 { N:120.191 } atom: 610 54A-H N 8.779 ambi=1 { N:126.778 } ::sumAvg: 4.575 atom: 628 56K-H N 8.306 ambi=1 { N:124.982 } atom: 649 57P-HD2 D 3.853 ambi=2 { CD:50.67 } :: atom: 628 56K-H N 8.306 ambi=1 { N:124.982 } atom: 650 57P-HD3 D 3.696 ambi=2 { CD:50.67 } ::sumAvg: 4.28 atom: 656 58I-H N 8.324 ambi=1 { N:121.128 } atom: 647 57P-QG G 2.025 ambi=2 { CG:27.15 } ::sumAvg: 4.485 atom: 684 60E-H N 8.228 ambi=1 { N:121.37 } atom: 657 58I-HA A 4.095 ambi=1 { CA:61.1 } ::sumAvg: 4.93 atom: 670 59L-H N 8.238 ambi=1 { N:125.747 } atom: 659 58I-HG12 G1 1.478 ambi=2 { CG1:27.177 } :: atom: 670 59L-H N 8.238 ambi=1 { N:125.747 } atom: 660 58I-HG13 G1 1.17 ambi=2 { CG1:27.177 } ::sumAvg: 3.39 atom: 695 61H-H N 8.45 ambi=1 { N:119.627 } atom: 671 59L-HA A 4.33 ambi=1 { CA:54.721 } ::sumAvg: 4.875 atom: 695 61H-H N 8.45 ambi=1 { N:119.627 } atom: 675 59L-HD1 D1 0.884 ambi=2 { CD1:24.758 } :: atom: 695 61H-H N 8.45 ambi=1 { N:119.627 } atom: 676 59L-HD2 D2 0.819 ambi=2 { CD2:23.218 } ::sumAvg: 4.82 atom: 695 61H-H N 8.45 ambi=1 { N:119.627 } atom: 686 60E-QB B 1.847 ambi=2 { CB:30.191 } ::sumAvg: 3.185 atom: 695 61H-H N 8.45 ambi=1 { N:119.627 } atom: 688 60E-QG G 2.146 ambi=2 { CG:35.675 } ::sumAvg: 3.57 # Missing interactons for c_aro.peaks atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } atom: 3 1M-HB3 B 2.026 ambi=2 { CB:33.215 } :: atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } atom: 2 1M-HB2 B 2.087 ambi=2 { CB:33.215 } ::sumAvg: 3.435 atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } atom: 4 1M-HG2 G 2.537 ambi=2 { CG:31.024 } :: atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } atom: 5 1M-HG3 G 2.44 ambi=2 { CG:31.024 } ::sumAvg: 4.4 atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } atom: 4 1M-HG2 G 2.537 ambi=2 { CG:31.024 } :: atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } atom: 5 1M-HG3 G 2.44 ambi=2 { CG:31.024 } ::sumAvg: 4.33 atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } atom: 6 1M-HE E 2.064 ambi=1 { CE:16.615 } ::sumAvg: 4.735 atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } ::sumAvg: 4.235 atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } ::sumAvg: 4.87 atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } atom: 13 2I-HA A 3.812 ambi=1 { CA:61.06 } ::sumAvg: 4.925 atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } ::sumAvg: 4.645 atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } atom: 28 3F-HB2 B 2.901 ambi=1 { CB:39.219 } :: atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } atom: 29 3F-HB3 B 3.082 ambi=1 { CB:39.219 } ::sumAvg: 4.375 atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } ::sumAvg: 2.955 atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } ::sumAvg: 4.67 atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } ::sumAvg: 3.785 atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } :: atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } atom: 45 4P-HG3 G 1.692 ambi=2 { CG:28.899 } ::sumAvg: 4.835 atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } :: atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } ::sumAvg: 4.425 atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } ::sumAvg: 4.655 atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } atom: 46 4P-QD D 3.786 ambi=2 { CD:50.76 } ::sumAvg: 4.915 atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } ::sumAvg: 4.2 atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 4.5 atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 4.68 atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 4.515 atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } ::sumAvg: 4.355 atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } ::sumAvg: 4.58 atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } ::sumAvg: 3.86 atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 3.145 atom: 189 18Y-QE E 6.73 ambi=3 { CE1:118.142 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 189 18Y-QE E 6.73 ambi=3 { CE1:118.142 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 4.875 atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 4.885 atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 4.64 atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 3.2 atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } ::sumAvg: 4.21 atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } ::sumAvg: 4.265 atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 113 11T-H N 9.01 ambi=1 { N:119.053 } ::sumAvg: 4.62 atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 114 11T-HA A 4.525 ambi=1 { CA:61.475 } ::sumAvg: 2.82 atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 115 11T-HB B 4.508 ambi=1 { CB:68.695 } ::sumAvg: 4.77 atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } ::sumAvg: 4.68 atom: 189 18Y-QE E 6.73 ambi=3 { CE1:118.142 } atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } ::sumAvg: 4.215 atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } ::sumAvg: 4.4 atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } ::sumAvg: 4.16 atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } ::sumAvg: 4.385 atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } atom: 126 12N-HD21 D2 8.732 ambi=1 { ND2:112.575 } ::sumAvg: 3.895 atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } atom: 126 12N-HD21 D2 8.732 ambi=1 { ND2:112.575 } ::sumAvg: 4.77 atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 133 13V-H N 7.956 ambi=1 { N:124.955 } ::sumAvg: 4.15 atom: 189 18Y-QE E 6.73 ambi=3 { CE1:118.142 } atom: 133 13V-H N 7.956 ambi=1 { N:124.955 } ::sumAvg: 4.36 atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 134 13V-HA A 2.231 ambi=1 { CA:62.567 } ::sumAvg: 2.95 atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 135 13V-HB B 1.637 ambi=1 { CB:31.521 } ::sumAvg: 4.635 atom: 189 18Y-QE E 6.73 ambi=3 { CE1:118.142 } atom: 135 13V-HB B 1.637 ambi=1 { CB:31.521 } ::sumAvg: 4.345 atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 136 13V-QG G 0.696 ambi=2 { QCG:20.159 } ::sumAvg: 3.43 atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } ::sumAvg: 4.87 atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } ::sumAvg: 4.88 atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } atom: 154 15D-HB2 B 2.579 ambi=1 { CB:45.096 } :: atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } atom: 155 15D-HB3 B 2.732 ambi=1 { CB:45.096 } ::sumAvg: 4.255 atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } atom: 154 15D-HB2 B 2.579 ambi=1 { CB:45.096 } ::sumAvg: 4.78 atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } atom: 154 15D-HB2 B 2.579 ambi=1 { CB:45.096 } :: atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } atom: 155 15D-HB3 B 2.732 ambi=1 { CB:45.096 } ::sumAvg: 3.67 atom: 530 47F-HZ Z 7.092 ambi=1 { CZ:129.538 } atom: 155 15D-HB3 B 2.732 ambi=1 { CB:45.096 } ::sumAvg: 4.775 atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } atom: 160 16T-H N 8.588 ambi=1 { N:124.36 } ::sumAvg: 3.735 atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } atom: 160 16T-H N 8.588 ambi=1 { N:124.36 } ::sumAvg: 4.925 atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } atom: 160 16T-H N 8.588 ambi=1 { N:124.36 } ::sumAvg: 4.645 atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } atom: 162 16T-HB B 3.618 ambi=1 { CB:69.263 } ::sumAvg: 4.195 atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } atom: 162 16T-HB B 3.618 ambi=1 { CB:69.263 } ::sumAvg: 4.62 atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } ::sumAvg: 2.895 atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } ::sumAvg: 4.8 atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } ::sumAvg: 4.99 atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } ::sumAvg: 4.405 atom: 530 47F-HZ Z 7.092 ambi=1 { CZ:129.538 } atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } ::sumAvg: 4.37 atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } atom: 170 17Y-HA A 3.917 ambi=1 { CA:57.816 } ::sumAvg: 4.555 atom: 219 20F-QE E 7.249 ambi=3 { CE1:131.108 } atom: 170 17Y-HA A 3.917 ambi=1 { CA:57.816 } ::sumAvg: 3.445 atom: 221 20F-HZ Z 7.155 ambi=1 { CZ:129.496 } atom: 170 17Y-HA A 3.917 ambi=1 { CA:57.816 } ::sumAvg: 4.97 atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } ::sumAvg: 3.1 atom: 219 20F-QE E 7.249 ambi=3 { CE1:131.108 } atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } ::sumAvg: 4.89 atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } ::sumAvg: 4.175 atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } ::sumAvg: 3 atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } ::sumAvg: 2.98 atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } ::sumAvg: 4.85 atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } ::sumAvg: 3.185 atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } ::sumAvg: 4.785 atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } atom: 215 20F-HB2 B 3.388 ambi=1 { CB:39.39 } :: atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } atom: 216 20F-HB3 B 2.66 ambi=1 { CB:39.39 } ::sumAvg: 3.195 atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } ::sumAvg: 2.9 atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } ::sumAvg: 2.9 atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } atom: 219 20F-QE E 7.249 ambi=3 { CE1:131.108 } ::sumAvg: 4.055 atom: 219 20F-QE E 7.249 ambi=3 { CE1:131.108 } atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } ::sumAvg: 4.055 atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } :: atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } atom: 393 36F-HB3 B 3.477 ambi=1 { CB:40.699 } ::sumAvg: 4.55 atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } ::sumAvg: 3.545 atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } ::sumAvg: 3.545 atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } ::sumAvg: 4.235 atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } ::sumAvg: 4.235 atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } atom: 504 45V-HB B 1.695 ambi=1 { CB:35.267 } ::sumAvg: 4.19 atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } ::sumAvg: 3.005 atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } ::sumAvg: 3.005 atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } atom: 530 47F-HZ Z 7.092 ambi=1 { CZ:129.538 } ::sumAvg: 2.64 atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } ::sumAvg: 4.595 atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } ::sumAvg: 4.595 atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } ::sumAvg: 3.71 atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } ::sumAvg: 3.71 atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } atom: 475 43K-QG G 1.363 ambi=2 { CG:24.75 } ::sumAvg: 3.58 atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } atom: 479 43K-QE E 2.999 ambi=2 { CE:41.994 } ::sumAvg: 3.96 atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } ::sumAvg: 4.57 atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } ::sumAvg: 4.57 atom: 530 47F-HZ Z 7.092 ambi=1 { CZ:129.538 } atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } ::sumAvg: 3.945 atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } ::sumAvg: 4.185 atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } ::sumAvg: 3.55 atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 198 19R-HA A 3.273 ambi=1 { CA:59.502 } ::sumAvg: 4.69 atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 199 19R-HB2 B 1.846 ambi=2 { CB:27.991 } :: atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 200 19R-HB3 B 1.696 ambi=2 { CB:27.991 } ::sumAvg: 4.25 atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 201 19R-HG2 G 0.225 ambi=2 { CG:26.799 } :: atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 202 19R-HG3 G 0.754 ambi=2 { CG:26.799 } ::sumAvg: 4.24 atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } atom: 203 19R-QD D 2.809 ambi=2 { CD:43.32 } ::sumAvg: 4.645 atom: 189 18Y-QE E 6.73 ambi=3 { CE1:118.142 } atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } ::sumAvg: 4.935 atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } ::sumAvg: 4.55 atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } atom: 199 19R-HB2 B 1.846 ambi=2 { CB:27.991 } :: atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } atom: 200 19R-HB3 B 1.696 ambi=2 { CB:27.991 } ::sumAvg: 4.19 atom: 219 20F-QE E 7.249 ambi=3 { CE1:131.108 } atom: 199 19R-HB2 B 1.846 ambi=2 { CB:27.991 } :: atom: 219 20F-QE E 7.249 ambi=3 { CE1:131.108 } atom: 200 19R-HB3 B 1.696 ambi=2 { CB:27.991 } ::sumAvg: 4.705 atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } atom: 201 19R-HG2 G 0.225 ambi=2 { CG:26.799 } :: atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } atom: 202 19R-HG3 G 0.754 ambi=2 { CG:26.799 } ::sumAvg: 4.54 atom: 219 20F-QE E 7.249 ambi=3 { CE1:131.108 } atom: 203 19R-QD D 2.809 ambi=2 { CD:43.32 } ::sumAvg: 4.7 atom: 219 20F-QE E 7.249 ambi=3 { CE1:131.108 } atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } ::sumAvg: 4.88 atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } ::sumAvg: 4.66 atom: 219 20F-QE E 7.249 ambi=3 { CE1:131.108 } atom: 214 20F-HA A 4.378 ambi=1 { CA:58.661 } ::sumAvg: 4.385 atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } atom: 214 20F-HA A 4.378 ambi=1 { CA:58.661 } ::sumAvg: 4.585 atom: 219 20F-QE E 7.249 ambi=3 { CE1:131.108 } atom: 215 20F-HB2 B 3.388 ambi=1 { CB:39.39 } :: atom: 219 20F-QE E 7.249 ambi=3 { CE1:131.108 } atom: 216 20F-HB3 B 2.66 ambi=1 { CB:39.39 } ::sumAvg: 4.405 atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } atom: 215 20F-HB2 B 3.388 ambi=1 { CB:39.39 } :: atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } atom: 216 20F-HB3 B 2.66 ambi=1 { CB:39.39 } ::sumAvg: 4.38 atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } atom: 229 21E-H N 8.447 ambi=1 { N:118.146 } ::sumAvg: 3.785 atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } atom: 393 36F-HB3 B 3.477 ambi=1 { CB:40.699 } ::sumAvg: 4.845 atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } atom: 229 21E-H N 8.447 ambi=1 { N:118.146 } ::sumAvg: 4.13 atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } atom: 229 21E-H N 8.447 ambi=1 { N:118.146 } ::sumAvg: 3.95 atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } ::sumAvg: 4.765 atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } ::sumAvg: 3.49 atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } ::sumAvg: 4.85 atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } ::sumAvg: 3.65 atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } :: atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } ::sumAvg: 4.395 atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } ::sumAvg: 4.945 atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 4.73 atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } ::sumAvg: 4.805 atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } ::sumAvg: 4.885 atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } ::sumAvg: 3.655 atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } ::sumAvg: 4.39 atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } ::sumAvg: 3.125 atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } ::sumAvg: 3.515 atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } ::sumAvg: 4.005 atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } ::sumAvg: 4.775 atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } atom: 391 36F-HA A 5.149 ambi=1 { CA:56.443 } ::sumAvg: 4.58 atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } :: atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } atom: 393 36F-HB3 B 3.477 ambi=1 { CB:40.699 } ::sumAvg: 4.365 atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } ::sumAvg: 4.705 atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } atom: 473 43K-HB2 B 1.634 ambi=2 { CB:36.014 } :: atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } atom: 474 43K-HB3 B 1.527 ambi=2 { CB:36.014 } ::sumAvg: 3.63 atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } atom: 475 43K-QG G 1.363 ambi=2 { CG:24.75 } ::sumAvg: 3.92 atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } ::sumAvg: 3.935 atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } ::sumAvg: 3.59 atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } ::sumAvg: 4.035 atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } :: atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 4.18 atom: 448 41W-HD1 D1 7.312 ambi=1 { CD1:127.764 } atom: 419 38N-HB2 B 2.765 ambi=2 { CB:39.35 } :: atom: 448 41W-HD1 D1 7.312 ambi=1 { CD1:127.764 } atom: 420 38N-HB3 B 2.693 ambi=2 { CB:39.35 } ::sumAvg: 4.8 atom: 448 41W-HD1 D1 7.312 ambi=1 { CD1:127.764 } atom: 444 41W-H N 7.971 ambi=1 { N:120.597 } ::sumAvg: 4.35 atom: 450 41W-HE3 E3 7.504 ambi=1 { CE3:120.81 } atom: 445 41W-HA A 4.734 ambi=1 { CA:56.935 } ::sumAvg: 3.55 atom: 448 41W-HD1 D1 7.312 ambi=1 { CD1:127.764 } atom: 463 42D-H N 7.932 ambi=1 { N:121.388 } ::sumAvg: 4.605 atom: 450 41W-HE3 E3 7.504 ambi=1 { CE3:120.81 } atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } ::sumAvg: 4.62 atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } ::sumAvg: 4.195 atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } ::sumAvg: 3.86 atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } ::sumAvg: 4.765 atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } ::sumAvg: 4.87 atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } ::sumAvg: 4.61 atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } :: atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } atom: 525 47F-HB3 B 3.45 ambi=1 { CB:44.197 } ::sumAvg: 4.375 atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } ::sumAvg: 3.52 atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } ::sumAvg: 4.255 atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } :: atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 3.885 # Missing interactons for c_ali.peaks atom: 4 1M-HG2 G 2.537 ambi=2 { CG:31.024 } atom: 1 1M-HA A 4.086 ambi=1 { CA:54.725 } :: atom: 5 1M-HG3 G 2.44 ambi=2 { CG:31.024 } atom: 1 1M-HA A 4.086 ambi=1 { CA:54.725 } ::sumAvg: 2.775 atom: 6 1M-HE E 2.064 ambi=1 { CE:16.615 } atom: 1 1M-HA A 4.086 ambi=1 { CA:54.725 } ::sumAvg: 3.83 atom: 1 1M-HA A 4.086 ambi=1 { CA:54.725 } atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } :: atom: 1 1M-HA A 4.086 ambi=1 { CA:54.725 } atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } ::sumAvg: 4.185 atom: 1 1M-HA A 4.086 ambi=1 { CA:54.725 } atom: 14 2I-HB B 1.671 ambi=1 { CB:37.901 } ::sumAvg: 4.915 atom: 14 2I-HB B 1.671 ambi=1 { CB:37.901 } atom: 1 1M-HA A 4.086 ambi=1 { CA:54.725 } ::sumAvg: 4.915 atom: 1 1M-HA A 4.086 ambi=1 { CA:54.725 } atom: 557 49L-HD1 D1 0.865 ambi=2 { CD1:25.355 } :: atom: 1 1M-HA A 4.086 ambi=1 { CA:54.725 } atom: 558 49L-HD2 D2 0.737 ambi=2 { CD2:23.181 } ::sumAvg: 4.565 atom: 557 49L-HD1 D1 0.865 ambi=2 { CD1:25.355 } atom: 1 1M-HA A 4.086 ambi=1 { CA:54.725 } :: atom: 558 49L-HD2 D2 0.737 ambi=2 { CD2:23.181 } atom: 1 1M-HA A 4.086 ambi=1 { CA:54.725 } ::sumAvg: 4.565 atom: 3 1M-HB3 B 2.026 ambi=2 { CB:33.215 } atom: 4 1M-HG2 G 2.537 ambi=2 { CG:31.024 } :: atom: 3 1M-HB3 B 2.026 ambi=2 { CB:33.215 } atom: 5 1M-HG3 G 2.44 ambi=2 { CG:31.024 } :: atom: 2 1M-HB2 B 2.087 ambi=2 { CB:33.215 } atom: 4 1M-HG2 G 2.537 ambi=2 { CG:31.024 } ::sumAvg: 2.405 atom: 3 1M-HB3 B 2.026 ambi=2 { CB:33.215 } atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } :: atom: 3 1M-HB3 B 2.026 ambi=2 { CB:33.215 } atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } :: atom: 2 1M-HB2 B 2.087 ambi=2 { CB:33.215 } atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } :: atom: 2 1M-HB2 B 2.087 ambi=2 { CB:33.215 } atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } ::sumAvg: 4.975 atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } atom: 3 1M-HB3 B 2.026 ambi=2 { CB:33.215 } :: atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } atom: 3 1M-HB3 B 2.026 ambi=2 { CB:33.215 } :: atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } atom: 2 1M-HB2 B 2.087 ambi=2 { CB:33.215 } :: atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } atom: 2 1M-HB2 B 2.087 ambi=2 { CB:33.215 } ::sumAvg: 4.975 atom: 3 1M-HB3 B 2.026 ambi=2 { CB:33.215 } atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } :: atom: 2 1M-HB2 B 2.087 ambi=2 { CB:33.215 } atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } ::sumAvg: 3.43 atom: 3 1M-HB3 B 2.026 ambi=2 { CB:33.215 } atom: 13 2I-HA A 3.812 ambi=1 { CA:61.06 } :: atom: 2 1M-HB2 B 2.087 ambi=2 { CB:33.215 } atom: 13 2I-HA A 3.812 ambi=1 { CA:61.06 } ::sumAvg: 4.805 atom: 13 2I-HA A 3.812 ambi=1 { CA:61.06 } atom: 3 1M-HB3 B 2.026 ambi=2 { CB:33.215 } :: atom: 13 2I-HA A 3.812 ambi=1 { CA:61.06 } atom: 2 1M-HB2 B 2.087 ambi=2 { CB:33.215 } ::sumAvg: 4.805 atom: 3 1M-HB3 B 2.026 ambi=2 { CB:33.215 } atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } :: atom: 2 1M-HB2 B 2.087 ambi=2 { CB:33.215 } atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } ::sumAvg: 3.435 atom: 3 1M-HB3 B 2.026 ambi=2 { CB:33.215 } atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } :: atom: 2 1M-HB2 B 2.087 ambi=2 { CB:33.215 } atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } ::sumAvg: 4.655 atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } atom: 3 1M-HB3 B 2.026 ambi=2 { CB:33.215 } :: atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } atom: 2 1M-HB2 B 2.087 ambi=2 { CB:33.215 } ::sumAvg: 4.655 atom: 6 1M-HE E 2.064 ambi=1 { CE:16.615 } atom: 4 1M-HG2 G 2.537 ambi=2 { CG:31.024 } ::sumAvg: 2.395 atom: 4 1M-HG2 G 2.537 ambi=2 { CG:31.024 } atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } :: atom: 5 1M-HG3 G 2.44 ambi=2 { CG:31.024 } atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } ::sumAvg: 4.07 atom: 4 1M-HG2 G 2.537 ambi=2 { CG:31.024 } atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } :: atom: 5 1M-HG3 G 2.44 ambi=2 { CG:31.024 } atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } ::sumAvg: 4.33 atom: 6 1M-HE E 2.064 ambi=1 { CE:16.615 } atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } ::sumAvg: 4.63 atom: 6 1M-HE E 2.064 ambi=1 { CE:16.615 } atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } ::sumAvg: 4.475 atom: 6 1M-HE E 2.064 ambi=1 { CE:16.615 } atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } ::sumAvg: 4.735 atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } :: atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } ::sumAvg: 4.245 atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } ::sumAvg: 4.24 atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } :: atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } ::sumAvg: 4.41 atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } :: atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } ::sumAvg: 4.41 atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } :: atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 2.5 atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } :: atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } ::sumAvg: 4.27 atom: 555 49L-HB3 B 1.472 ambi=1 { CB:40.688 } atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } ::sumAvg: 4.83 atom: 588 52L-HB3 B 0.887 ambi=1 { CB:47.265 } atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } :: atom: 587 52L-HB2 B 1.757 ambi=1 { CB:47.265 } atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } ::sumAvg: 4.38 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } ::sumAvg: 4.71 atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } :: atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } ::sumAvg: 4.665 atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } :: atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } ::sumAvg: 4.665 atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } atom: 610 54A-H N 8.779 ambi=1 { N:126.778 } :: atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } atom: 610 54A-H N 8.779 ambi=1 { N:126.778 } ::sumAvg: 3.695 atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } atom: 611 54A-HA A 4.629 ambi=1 { CA:52.493 } :: atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } atom: 611 54A-HA A 4.629 ambi=1 { CA:52.493 } ::sumAvg: 3.475 atom: 611 54A-HA A 4.629 ambi=1 { CA:52.493 } atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } :: atom: 611 54A-HA A 4.629 ambi=1 { CA:52.493 } atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } ::sumAvg: 3.475 atom: 15 2I-HG12 G1 1.461 ambi=2 { CG1:27.572 } atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } :: atom: 16 2I-HG13 G1 0.982 ambi=2 { CG1:27.572 } atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } ::sumAvg: 2.625 atom: 13 2I-HA A 3.812 ambi=1 { CA:61.06 } atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } ::sumAvg: 2.605 atom: 14 2I-HB B 1.671 ambi=1 { CB:37.901 } atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } ::sumAvg: 3.035 atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } ::sumAvg: 3.915 atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } ::sumAvg: 3.995 atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } :: atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } ::sumAvg: 4.97 atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } atom: 12 2I-H N 8.404 ambi=1 { N:122.568 } ::sumAvg: 4 atom: 13 2I-HA A 3.812 ambi=1 { CA:61.06 } atom: 27 3F-HA A 5.014 ambi=1 { CA:53.821 } ::sumAvg: 4.405 atom: 13 2I-HA A 3.812 ambi=1 { CA:61.06 } atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } ::sumAvg: 3.675 atom: 13 2I-HA A 3.812 ambi=1 { CA:61.06 } atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } ::sumAvg: 4.925 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 13 2I-HA A 3.812 ambi=1 { CA:61.06 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 13 2I-HA A 3.812 ambi=1 { CA:61.06 } ::sumAvg: 3.795 atom: 13 2I-HA A 3.812 ambi=1 { CA:61.06 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 13 2I-HA A 3.812 ambi=1 { CA:61.06 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 4.47 atom: 13 2I-HA A 3.812 ambi=1 { CA:61.06 } atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } :: atom: 13 2I-HA A 3.812 ambi=1 { CA:61.06 } atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } ::sumAvg: 4.505 atom: 13 2I-HA A 3.812 ambi=1 { CA:61.06 } atom: 557 49L-HD1 D1 0.865 ambi=2 { CD1:25.355 } :: atom: 13 2I-HA A 3.812 ambi=1 { CA:61.06 } atom: 558 49L-HD2 D2 0.737 ambi=2 { CD2:23.181 } ::sumAvg: 4.595 atom: 13 2I-HA A 3.812 ambi=1 { CA:61.06 } atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } ::sumAvg: 3.38 atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } atom: 13 2I-HA A 3.812 ambi=1 { CA:61.06 } ::sumAvg: 3.38 atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } atom: 14 2I-HB B 1.671 ambi=1 { CB:37.901 } ::sumAvg: 2.35 atom: 14 2I-HB B 1.671 ambi=1 { CB:37.901 } atom: 27 3F-HA A 5.014 ambi=1 { CA:53.821 } ::sumAvg: 4.875 atom: 27 3F-HA A 5.014 ambi=1 { CA:53.821 } atom: 14 2I-HB B 1.671 ambi=1 { CB:37.901 } ::sumAvg: 4.875 atom: 14 2I-HB B 1.671 ambi=1 { CB:37.901 } atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } ::sumAvg: 4.14 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 14 2I-HB B 1.671 ambi=1 { CB:37.901 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 14 2I-HB B 1.671 ambi=1 { CB:37.901 } ::sumAvg: 4.13 atom: 14 2I-HB B 1.671 ambi=1 { CB:37.901 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 14 2I-HB B 1.671 ambi=1 { CB:37.901 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 4.525 atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } atom: 14 2I-HB B 1.671 ambi=1 { CB:37.901 } :: atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } atom: 14 2I-HB B 1.671 ambi=1 { CB:37.901 } ::sumAvg: 4.525 atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } atom: 14 2I-HB B 1.671 ambi=1 { CB:37.901 } :: atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } atom: 14 2I-HB B 1.671 ambi=1 { CB:37.901 } ::sumAvg: 3.545 atom: 14 2I-HB B 1.671 ambi=1 { CB:37.901 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 3.975 atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 14 2I-HB B 1.671 ambi=1 { CB:37.901 } ::sumAvg: 3.975 atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } atom: 14 2I-HB B 1.671 ambi=1 { CB:37.901 } ::sumAvg: 4.55 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 14 2I-HB B 1.671 ambi=1 { CB:37.901 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 14 2I-HB B 1.671 ambi=1 { CB:37.901 } ::sumAvg: 4.58 atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } atom: 27 3F-HA A 5.014 ambi=1 { CA:53.821 } ::sumAvg: 3.445 atom: 27 3F-HA A 5.014 ambi=1 { CA:53.821 } atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } ::sumAvg: 3.445 atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } atom: 28 3F-HB2 B 2.901 ambi=1 { CB:39.219 } ::sumAvg: 4.825 atom: 28 3F-HB2 B 2.901 ambi=1 { CB:39.219 } atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } ::sumAvg: 4.825 atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } ::sumAvg: 4.645 atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } atom: 41 4P-HA A 3.867 ambi=1 { CA:63.893 } ::sumAvg: 4.705 atom: 41 4P-HA A 3.867 ambi=1 { CA:63.893 } atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } ::sumAvg: 4.705 atom: 46 4P-QD D 3.786 ambi=2 { CD:50.76 } atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } ::sumAvg: 4.4 atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } atom: 59 6A-H N 7.782 ambi=1 { N:122.579 } ::sumAvg: 4.51 atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } ::sumAvg: 4.135 atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } ::sumAvg: 3.64 atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } ::sumAvg: 3.64 atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } ::sumAvg: 4.87 atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } ::sumAvg: 4.87 atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } atom: 303 27V-HB B 1.926 ambi=1 { CB:34.529 } ::sumAvg: 4.8 atom: 303 27V-HB B 1.926 ambi=1 { CB:34.529 } atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } ::sumAvg: 4.8 atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } ::sumAvg: 4.39 atom: 555 49L-HB3 B 1.472 ambi=1 { CB:40.688 } atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } ::sumAvg: 4.995 atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } atom: 587 52L-HB2 B 1.757 ambi=1 { CB:47.265 } ::sumAvg: 4.225 atom: 17 2I-HG2 G2 0.589 ambi=1 { CG2:18.385 } atom: 611 54A-HA A 4.629 ambi=1 { CA:52.493 } ::sumAvg: 4.45 atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } ::sumAvg: 4.77 atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } ::sumAvg: 4.77 atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } ::sumAvg: 3.425 atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } ::sumAvg: 3.425 atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 3.51 atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } ::sumAvg: 3.51 atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } ::sumAvg: 2.83 atom: 554 49L-HB2 B 1.722 ambi=1 { CB:40.688 } atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } :: atom: 555 49L-HB3 B 1.472 ambi=1 { CB:40.688 } atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } ::sumAvg: 3.11 atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } ::sumAvg: 4.59 atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } atom: 585 52L-H N 7.301 ambi=1 { N:116.595 } ::sumAvg: 3.795 atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } ::sumAvg: 4.195 atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } ::sumAvg: 4.11 atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } ::sumAvg: 3.915 atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } ::sumAvg: 3.045 atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } atom: 603 53E-QG G 2.13 ambi=2 { CG:35.465 } ::sumAvg: 4.945 atom: 603 53E-QG G 2.13 ambi=2 { CG:35.465 } atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } ::sumAvg: 4.945 atom: 611 54A-HA A 4.629 ambi=1 { CA:52.493 } atom: 18 2I-HD1 D1 0.644 ambi=1 { CD1:12.705 } ::sumAvg: 3.975 atom: 27 3F-HA A 5.014 ambi=1 { CA:53.821 } atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } ::sumAvg: 3.23 atom: 27 3F-HA A 5.014 ambi=1 { CA:53.821 } atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } ::sumAvg: 4.405 atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } atom: 27 3F-HA A 5.014 ambi=1 { CA:53.821 } ::sumAvg: 4.405 atom: 27 3F-HA A 5.014 ambi=1 { CA:53.821 } atom: 41 4P-HA A 3.867 ambi=1 { CA:63.893 } ::sumAvg: 4.425 atom: 41 4P-HA A 3.867 ambi=1 { CA:63.893 } atom: 27 3F-HA A 5.014 ambi=1 { CA:53.821 } ::sumAvg: 4.425 atom: 27 3F-HA A 5.014 ambi=1 { CA:53.821 } atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } :: atom: 27 3F-HA A 5.014 ambi=1 { CA:53.821 } atom: 45 4P-HG3 G 1.692 ambi=2 { CG:28.899 } ::sumAvg: 4.38 atom: 27 3F-HA A 5.014 ambi=1 { CA:53.821 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 27 3F-HA A 5.014 ambi=1 { CA:53.821 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 3.955 atom: 27 3F-HA A 5.014 ambi=1 { CA:53.821 } atom: 303 27V-HB B 1.926 ambi=1 { CB:34.529 } ::sumAvg: 3.675 atom: 303 27V-HB B 1.926 ambi=1 { CB:34.529 } atom: 27 3F-HA A 5.014 ambi=1 { CA:53.821 } ::sumAvg: 3.675 atom: 28 3F-HB2 B 2.901 ambi=1 { CB:39.219 } atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } :: atom: 29 3F-HB3 B 3.082 ambi=1 { CB:39.219 } atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } ::sumAvg: 4.375 atom: 28 3F-HB2 B 2.901 ambi=1 { CB:39.219 } atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } :: atom: 29 3F-HB3 B 3.082 ambi=1 { CB:39.219 } atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } ::sumAvg: 3.785 atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } atom: 28 3F-HB2 B 2.901 ambi=1 { CB:39.219 } :: atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } atom: 29 3F-HB3 B 3.082 ambi=1 { CB:39.219 } ::sumAvg: 3.785 atom: 29 3F-HB3 B 3.082 ambi=1 { CB:39.219 } atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } :: atom: 29 3F-HB3 B 3.082 ambi=1 { CB:39.219 } atom: 45 4P-HG3 G 1.692 ambi=2 { CG:28.899 } ::sumAvg: 4.82 atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } atom: 29 3F-HB3 B 3.082 ambi=1 { CB:39.219 } :: atom: 45 4P-HG3 G 1.692 ambi=2 { CG:28.899 } atom: 29 3F-HB3 B 3.082 ambi=1 { CB:39.219 } ::sumAvg: 4.82 atom: 28 3F-HB2 B 2.901 ambi=1 { CB:39.219 } atom: 59 6A-H N 7.782 ambi=1 { N:122.579 } ::sumAvg: 4.905 atom: 28 3F-HB2 B 2.901 ambi=1 { CB:39.219 } atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } :: atom: 28 3F-HB2 B 2.901 ambi=1 { CB:39.219 } atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } :: atom: 29 3F-HB3 B 3.082 ambi=1 { CB:39.219 } atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } :: atom: 29 3F-HB3 B 3.082 ambi=1 { CB:39.219 } atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } ::sumAvg: 4.22 atom: 27 3F-HA A 5.014 ambi=1 { CA:53.821 } atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } ::sumAvg: 2.9 atom: 46 4P-QD D 3.786 ambi=2 { CD:50.76 } atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } ::sumAvg: 4.365 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } ::sumAvg: 4.335 atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } ::sumAvg: 4.83 atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } :: atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } ::sumAvg: 4.105 atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } atom: 26 3F-H N 6.737 ambi=1 { N:122.17 } ::sumAvg: 4.83 atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } ::sumAvg: 3.785 atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } :: atom: 45 4P-HG3 G 1.692 ambi=2 { CG:28.899 } atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } ::sumAvg: 4.835 atom: 46 4P-QD D 3.786 ambi=2 { CD:50.76 } atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } ::sumAvg: 2.815 atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } :: atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } atom: 30 3F-QD D 7.152 ambi=3 { CD1:132.575 } ::sumAvg: 4.425 atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } ::sumAvg: 4.655 atom: 46 4P-QD D 3.786 ambi=2 { CD:50.76 } atom: 32 3F-QE E 7.282 ambi=3 { CE1:130.968 } ::sumAvg: 4.915 atom: 60 6A-HA A 4.234 ambi=1 { CA:52.071 } atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } ::sumAvg: 4.63 atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } atom: 60 6A-HA A 4.234 ambi=1 { CA:52.071 } ::sumAvg: 4.63 atom: 60 6A-HA A 4.234 ambi=1 { CA:52.071 } atom: 67 7T-HA A 5.065 ambi=1 { CA:62.562 } ::sumAvg: 4.39 atom: 67 7T-HA A 5.065 ambi=1 { CA:62.562 } atom: 60 6A-HA A 4.234 ambi=1 { CA:52.071 } ::sumAvg: 4.39 atom: 60 6A-HA A 4.234 ambi=1 { CA:52.071 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 60 6A-HA A 4.234 ambi=1 { CA:52.071 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 4.815 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 60 6A-HA A 4.234 ambi=1 { CA:52.071 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 60 6A-HA A 4.234 ambi=1 { CA:52.071 } ::sumAvg: 4.815 atom: 60 6A-HA A 4.234 ambi=1 { CA:52.071 } atom: 251 23L-QD D 0.789 ambi=2 { QCD:24.515 } ::sumAvg: 3.935 atom: 251 23L-QD D 0.789 ambi=2 { QCD:24.515 } atom: 60 6A-HA A 4.234 ambi=1 { CA:52.071 } ::sumAvg: 3.935 atom: 60 6A-HA A 4.234 ambi=1 { CA:52.071 } atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } ::sumAvg: 4.79 atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } atom: 60 6A-HA A 4.234 ambi=1 { CA:52.071 } ::sumAvg: 4.79 atom: 60 6A-HA A 4.234 ambi=1 { CA:52.071 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 60 6A-HA A 4.234 ambi=1 { CA:52.071 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 4.88 atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } atom: 60 6A-HA A 4.234 ambi=1 { CA:52.071 } :: atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } atom: 60 6A-HA A 4.234 ambi=1 { CA:52.071 } ::sumAvg: 4.88 atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } atom: 67 7T-HA A 5.065 ambi=1 { CA:62.562 } ::sumAvg: 4.17 atom: 67 7T-HA A 5.065 ambi=1 { CA:62.562 } atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } ::sumAvg: 4.17 atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } ::sumAvg: 4.96 atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } ::sumAvg: 4.96 atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } ::sumAvg: 4.97 atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } ::sumAvg: 4.08 atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } atom: 611 54A-HA A 4.629 ambi=1 { CA:52.493 } ::sumAvg: 4.335 atom: 611 54A-HA A 4.629 ambi=1 { CA:52.493 } atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } ::sumAvg: 4.335 atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } atom: 617 55V-H N 8.289 ambi=1 { N:120.191 } ::sumAvg: 4.48 atom: 41 4P-HA A 3.867 ambi=1 { CA:63.893 } atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } ::sumAvg: 4.41 atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } atom: 41 4P-HA A 3.867 ambi=1 { CA:63.893 } :: atom: 45 4P-HG3 G 1.692 ambi=2 { CG:28.899 } atom: 41 4P-HA A 3.867 ambi=1 { CA:63.893 } ::sumAvg: 3.4 atom: 41 4P-HA A 3.867 ambi=1 { CA:63.893 } atom: 54 5G-HA2 A 4.515 ambi=2 { CA:44.363 } ::sumAvg: 4.42 atom: 54 5G-HA2 A 4.515 ambi=2 { CA:44.363 } atom: 41 4P-HA A 3.867 ambi=1 { CA:63.893 } ::sumAvg: 4.42 atom: 41 4P-HA A 3.867 ambi=1 { CA:63.893 } atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } ::sumAvg: 4.54 atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } atom: 41 4P-HA A 3.867 ambi=1 { CA:63.893 } ::sumAvg: 4.54 atom: 41 4P-HA A 3.867 ambi=1 { CA:63.893 } atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } ::sumAvg: 3.465 atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } atom: 41 4P-HA A 3.867 ambi=1 { CA:63.893 } ::sumAvg: 3.465 atom: 41 4P-HA A 3.867 ambi=1 { CA:63.893 } atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } ::sumAvg: 4.42 atom: 41 4P-HA A 3.867 ambi=1 { CA:63.893 } atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } :: atom: 41 4P-HA A 3.867 ambi=1 { CA:63.893 } atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } ::sumAvg: 3.13 atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } atom: 41 4P-HA A 3.867 ambi=1 { CA:63.893 } :: atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } atom: 41 4P-HA A 3.867 ambi=1 { CA:63.893 } ::sumAvg: 3.13 atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } atom: 45 4P-HG3 G 1.692 ambi=2 { CG:28.899 } ::sumAvg: 2.36 atom: 45 4P-HG3 G 1.692 ambi=2 { CG:28.899 } atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } ::sumAvg: 2.36 atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } atom: 46 4P-QD D 3.786 ambi=2 { CD:50.76 } :: atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } atom: 46 4P-QD D 3.786 ambi=2 { CD:50.76 } ::sumAvg: 2.87 atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } atom: 53 5G-H N 9.018 ambi=1 { N:113.008 } :: atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } atom: 53 5G-H N 9.018 ambi=1 { N:113.008 } ::sumAvg: 3.455 atom: 54 5G-HA2 A 4.515 ambi=2 { CA:44.363 } atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } :: atom: 55 5G-HA3 A 3.564 ambi=2 { CA:44.363 } atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } :: atom: 54 5G-HA2 A 4.515 ambi=2 { CA:44.363 } atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } :: atom: 55 5G-HA3 A 3.564 ambi=2 { CA:44.363 } atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } ::sumAvg: 4.38 atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } :: atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 3.36 atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } :: atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } :: atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } :: atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } ::sumAvg: 3.36 atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } :: atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } ::sumAvg: 4.44 atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } :: atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } ::sumAvg: 4.44 atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } :: atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } ::sumAvg: 4.225 atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } :: atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } ::sumAvg: 2.425 atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } atom: 289 26R-HG2 G 1.537 ambi=2 { CG:27.098 } :: atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } atom: 290 26R-HG3 G 1.445 ambi=2 { CG:27.098 } :: atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } atom: 289 26R-HG2 G 1.537 ambi=2 { CG:27.098 } :: atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } atom: 290 26R-HG3 G 1.445 ambi=2 { CG:27.098 } ::sumAvg: 4.795 atom: 289 26R-HG2 G 1.537 ambi=2 { CG:27.098 } atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } :: atom: 290 26R-HG3 G 1.445 ambi=2 { CG:27.098 } atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } :: atom: 289 26R-HG2 G 1.537 ambi=2 { CG:27.098 } atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } :: atom: 290 26R-HG3 G 1.445 ambi=2 { CG:27.098 } atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } ::sumAvg: 4.795 atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } atom: 291 26R-QD D 3.13 ambi=2 { CD:42.927 } :: atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } atom: 291 26R-QD D 3.13 ambi=2 { CD:42.927 } ::sumAvg: 4.765 atom: 291 26R-QD D 3.13 ambi=2 { CD:42.927 } atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } :: atom: 291 26R-QD D 3.13 ambi=2 { CD:42.927 } atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } ::sumAvg: 4.765 atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } :: atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } ::sumAvg: 3.245 atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } :: atom: 42 4P-HB2 B 2.128 ambi=2 { CB:31.028 } atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } :: atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } :: atom: 43 4P-HB3 B 1.971 ambi=2 { CB:31.028 } atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } ::sumAvg: 3.615 atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } atom: 53 5G-H N 9.018 ambi=1 { N:113.008 } :: atom: 45 4P-HG3 G 1.692 ambi=2 { CG:28.899 } atom: 53 5G-H N 9.018 ambi=1 { N:113.008 } ::sumAvg: 4.94 atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } :: atom: 45 4P-HG3 G 1.692 ambi=2 { CG:28.899 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 45 4P-HG3 G 1.692 ambi=2 { CG:28.899 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 4.025 atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } :: atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } :: atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } atom: 45 4P-HG3 G 1.692 ambi=2 { CG:28.899 } :: atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } atom: 45 4P-HG3 G 1.692 ambi=2 { CG:28.899 } ::sumAvg: 4.025 atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } ::sumAvg: 4.25 atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } ::sumAvg: 4.25 atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } atom: 289 26R-HG2 G 1.537 ambi=2 { CG:27.098 } :: atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } atom: 290 26R-HG3 G 1.445 ambi=2 { CG:27.098 } ::sumAvg: 4.715 atom: 289 26R-HG2 G 1.537 ambi=2 { CG:27.098 } atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } :: atom: 290 26R-HG3 G 1.445 ambi=2 { CG:27.098 } atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } ::sumAvg: 4.715 atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } atom: 291 26R-QD D 3.13 ambi=2 { CD:42.927 } :: atom: 45 4P-HG3 G 1.692 ambi=2 { CG:28.899 } atom: 291 26R-QD D 3.13 ambi=2 { CD:42.927 } ::sumAvg: 4.945 atom: 291 26R-QD D 3.13 ambi=2 { CD:42.927 } atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } :: atom: 291 26R-QD D 3.13 ambi=2 { CD:42.927 } atom: 45 4P-HG3 G 1.692 ambi=2 { CG:28.899 } ::sumAvg: 4.945 atom: 303 27V-HB B 1.926 ambi=1 { CB:34.529 } atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } ::sumAvg: 3.595 atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } :: atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } atom: 44 4P-HG2 G 2.369 ambi=2 { CG:28.899 } :: atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } atom: 45 4P-HG3 G 1.692 ambi=2 { CG:28.899 } :: atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } atom: 45 4P-HG3 G 1.692 ambi=2 { CG:28.899 } ::sumAvg: 3.165 atom: 46 4P-QD D 3.786 ambi=2 { CD:50.76 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 46 4P-QD D 3.786 ambi=2 { CD:50.76 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 3.695 atom: 46 4P-QD D 3.786 ambi=2 { CD:50.76 } atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } ::sumAvg: 4.135 atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } atom: 46 4P-QD D 3.786 ambi=2 { CD:50.76 } ::sumAvg: 4.135 atom: 46 4P-QD D 3.786 ambi=2 { CD:50.76 } atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } ::sumAvg: 3.325 atom: 46 4P-QD D 3.786 ambi=2 { CD:50.76 } atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } ::sumAvg: 4.83 atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } atom: 46 4P-QD D 3.786 ambi=2 { CD:50.76 } ::sumAvg: 4.83 atom: 60 6A-HA A 4.234 ambi=1 { CA:52.071 } atom: 53 5G-H N 9.018 ambi=1 { N:113.008 } ::sumAvg: 4.995 atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } atom: 53 5G-H N 9.018 ambi=1 { N:113.008 } ::sumAvg: 4.235 atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } atom: 53 5G-H N 9.018 ambi=1 { N:113.008 } ::sumAvg: 3.835 atom: 55 5G-HA3 A 3.564 ambi=2 { CA:44.363 } atom: 60 6A-HA A 4.234 ambi=1 { CA:52.071 } ::sumAvg: 4.45 atom: 60 6A-HA A 4.234 ambi=1 { CA:52.071 } atom: 55 5G-HA3 A 3.564 ambi=2 { CA:44.363 } ::sumAvg: 4.45 atom: 54 5G-HA2 A 4.515 ambi=2 { CA:44.363 } atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } :: atom: 55 5G-HA3 A 3.564 ambi=2 { CA:44.363 } atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } ::sumAvg: 4.485 atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } atom: 54 5G-HA2 A 4.515 ambi=2 { CA:44.363 } :: atom: 61 6A-HB B 1.031 ambi=1 { CB:18.634 } atom: 55 5G-HA3 A 3.564 ambi=2 { CA:44.363 } ::sumAvg: 4.485 atom: 54 5G-HA2 A 4.515 ambi=2 { CA:44.363 } atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } :: atom: 55 5G-HA3 A 3.564 ambi=2 { CA:44.363 } atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } ::sumAvg: 4.755 atom: 54 5G-HA2 A 4.515 ambi=2 { CA:44.363 } atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } :: atom: 55 5G-HA3 A 3.564 ambi=2 { CA:44.363 } atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } ::sumAvg: 4.715 atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } atom: 54 5G-HA2 A 4.515 ambi=2 { CA:44.363 } :: atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } atom: 55 5G-HA3 A 3.564 ambi=2 { CA:44.363 } ::sumAvg: 4.715 atom: 55 5G-HA3 A 3.564 ambi=2 { CA:44.363 } atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } ::sumAvg: 4.81 atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } atom: 55 5G-HA3 A 3.564 ambi=2 { CA:44.363 } ::sumAvg: 4.81 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 59 6A-H N 7.782 ambi=1 { N:122.579 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 59 6A-H N 7.782 ambi=1 { N:122.579 } ::sumAvg: 4.77 atom: 251 23L-QD D 0.789 ambi=2 { QCD:24.515 } atom: 59 6A-H N 7.782 ambi=1 { N:122.579 } ::sumAvg: 4.07 atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } atom: 59 6A-H N 7.782 ambi=1 { N:122.579 } :: atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } atom: 59 6A-H N 7.782 ambi=1 { N:122.579 } ::sumAvg: 3.685 atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } ::sumAvg: 4.425 atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } ::sumAvg: 4.425 atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 4.385 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } ::sumAvg: 4.385 atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } :: atom: 234 21E-HG3 G 2.004 ambi=2 { CG:36.351 } atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } ::sumAvg: 4.425 atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } ::sumAvg: 3.845 atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } :: atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } ::sumAvg: 4.13 atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } :: atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } ::sumAvg: 4.13 atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } ::sumAvg: 4.795 atom: 247 23L-HA A 5.035 ambi=1 { CA:52.941 } atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } ::sumAvg: 3.27 atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } ::sumAvg: 4.61 atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } ::sumAvg: 4.955 atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } atom: 617 55V-H N 8.289 ambi=1 { N:120.191 } ::sumAvg: 4.54 atom: 69 7T-HG2 G2 1.126 ambi=1 { CG2:21.022 } atom: 66 7T-H N 8.528 ambi=1 { N:118.546 } ::sumAvg: 3.185 atom: 247 23L-HA A 5.035 ambi=1 { CA:52.941 } atom: 66 7T-H N 8.528 ambi=1 { N:118.546 } ::sumAvg: 4.88 atom: 251 23L-QD D 0.789 ambi=2 { QCD:24.515 } atom: 66 7T-H N 8.528 ambi=1 { N:118.546 } ::sumAvg: 3.76 atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } atom: 66 7T-H N 8.528 ambi=1 { N:118.546 } :: atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } atom: 66 7T-H N 8.528 ambi=1 { N:118.546 } ::sumAvg: 4.755 atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 66 7T-H N 8.528 ambi=1 { N:118.546 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 66 7T-H N 8.528 ambi=1 { N:118.546 } ::sumAvg: 4.835 atom: 67 7T-HA A 5.065 ambi=1 { CA:62.562 } atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } ::sumAvg: 4.62 atom: 67 7T-HA A 5.065 ambi=1 { CA:62.562 } atom: 248 23L-HB2 B 1.499 ambi=2 { CB:45.451 } :: atom: 67 7T-HA A 5.065 ambi=1 { CA:62.562 } atom: 249 23L-HB3 B 1.396 ambi=2 { CB:45.451 } ::sumAvg: 4.11 atom: 67 7T-HA A 5.065 ambi=1 { CA:62.562 } atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } ::sumAvg: 3.22 atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 67 7T-HA A 5.065 ambi=1 { CA:62.562 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 67 7T-HA A 5.065 ambi=1 { CA:62.562 } ::sumAvg: 4.68 atom: 68 7T-HB B 3.995 ambi=1 { CB:68.841 } atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } ::sumAvg: 4.625 atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } atom: 68 7T-HB B 3.995 ambi=1 { CB:68.841 } ::sumAvg: 4.625 atom: 68 7T-HB B 3.995 ambi=1 { CB:68.841 } atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } ::sumAvg: 3.575 atom: 68 7T-HB B 3.995 ambi=1 { CB:68.841 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 68 7T-HB B 3.995 ambi=1 { CB:68.841 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 4.885 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 68 7T-HB B 3.995 ambi=1 { CB:68.841 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 68 7T-HB B 3.995 ambi=1 { CB:68.841 } ::sumAvg: 4.885 atom: 247 23L-HA A 5.035 ambi=1 { CA:52.941 } atom: 68 7T-HB B 3.995 ambi=1 { CB:68.841 } ::sumAvg: 4.845 atom: 251 23L-QD D 0.789 ambi=2 { QCD:24.515 } atom: 68 7T-HB B 3.995 ambi=1 { CB:68.841 } ::sumAvg: 4.315 atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } atom: 88 9R-HB2 B 1.58 ambi=2 { CB:34.578 } :: atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } atom: 89 9R-HB3 B 1.513 ambi=2 { CB:34.578 } ::sumAvg: 4.38 atom: 88 9R-HB2 B 1.58 ambi=2 { CB:34.578 } atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } :: atom: 89 9R-HB3 B 1.513 ambi=2 { CB:34.578 } atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } ::sumAvg: 4.38 atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } :: atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } atom: 234 21E-HG3 G 2.004 ambi=2 { CG:36.351 } ::sumAvg: 4.99 atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } :: atom: 234 21E-HG3 G 2.004 ambi=2 { CG:36.351 } atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } ::sumAvg: 4.99 atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } ::sumAvg: 4.88 atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } atom: 588 52L-HB3 B 0.887 ambi=1 { CB:47.265 } ::sumAvg: 4.72 atom: 588 52L-HB3 B 0.887 ambi=1 { CB:47.265 } atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } ::sumAvg: 4.72 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } ::sumAvg: 4.97 atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } ::sumAvg: 4.515 atom: 603 53E-QG G 2.13 ambi=2 { CG:35.465 } atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } ::sumAvg: 4.87 atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } atom: 610 54A-H N 8.779 ambi=1 { N:126.778 } ::sumAvg: 4.755 atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } atom: 618 55V-HA A 4.212 ambi=1 { CA:60.843 } ::sumAvg: 4.96 atom: 618 55V-HA A 4.212 ambi=1 { CA:60.843 } atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } ::sumAvg: 4.96 atom: 619 55V-HB B 1.891 ambi=1 { CB:33.682 } atom: 76 8V-HA A 5.356 ambi=1 { CA:57.474 } ::sumAvg: 4.445 atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } ::sumAvg: 4.415 atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } ::sumAvg: 4.415 atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } :: atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } ::sumAvg: 3.855 atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } ::sumAvg: 4.05 atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } ::sumAvg: 4.08 atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } ::sumAvg: 4.08 atom: 588 52L-HB3 B 0.887 ambi=1 { CB:47.265 } atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } ::sumAvg: 2.395 atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } ::sumAvg: 4.845 atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } ::sumAvg: 4.845 atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } atom: 610 54A-H N 8.779 ambi=1 { N:126.778 } ::sumAvg: 4.895 atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } atom: 611 54A-HA A 4.629 ambi=1 { CA:52.493 } ::sumAvg: 3.62 atom: 611 54A-HA A 4.629 ambi=1 { CA:52.493 } atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } ::sumAvg: 3.62 atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } ::sumAvg: 4.705 atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } ::sumAvg: 4.705 atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } atom: 617 55V-H N 8.289 ambi=1 { N:120.191 } ::sumAvg: 4.94 atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } :: atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } ::sumAvg: 4.48 atom: 77 8V-HB B 1.865 ambi=1 { CB:36.13 } atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } ::sumAvg: 3.84 atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } ::sumAvg: 4.8 atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } ::sumAvg: 4.74 atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } ::sumAvg: 4.84 atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } :: atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } ::sumAvg: 4.605 atom: 247 23L-HA A 5.035 ambi=1 { CA:52.941 } atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } ::sumAvg: 3.405 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } :: atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } ::sumAvg: 3.935 atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 75 8V-H N 9.03 ambi=1 { N:117.547 } ::sumAvg: 3.73 atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } atom: 93 9R-HD3 D 3.089 ambi=2 { CD:43.305 } :: atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } atom: 92 9R-HD2 D 3.036 ambi=2 { CD:43.305 } ::sumAvg: 4.445 atom: 93 9R-HD3 D 3.089 ambi=2 { CD:43.305 } atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } :: atom: 92 9R-HD2 D 3.036 ambi=2 { CD:43.305 } atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } ::sumAvg: 4.445 atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } ::sumAvg: 4.665 atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } ::sumAvg: 4.665 atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 3.615 atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } ::sumAvg: 3.615 atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } ::sumAvg: 4.34 atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } ::sumAvg: 4.34 atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } atom: 229 21E-H N 8.447 ambi=1 { N:118.146 } ::sumAvg: 4.935 atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } ::sumAvg: 4.03 atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } ::sumAvg: 4.03 atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } ::sumAvg: 4.64 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } :: atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } ::sumAvg: 4.64 atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } ::sumAvg: 4.2 atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } :: atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 4.22 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } ::sumAvg: 4.22 atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } ::sumAvg: 4.735 atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } :: atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } ::sumAvg: 4.18 atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } ::sumAvg: 4.18 atom: 88 9R-HB2 B 1.58 ambi=2 { CB:34.578 } atom: 94 9R-HE E 7.355 ambi=1 { NE:83.825 } :: atom: 89 9R-HB3 B 1.513 ambi=2 { CB:34.578 } atom: 94 9R-HE E 7.355 ambi=1 { NE:83.825 } ::sumAvg: 3.52 atom: 88 9R-HB2 B 1.58 ambi=2 { CB:34.578 } atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } :: atom: 89 9R-HB3 B 1.513 ambi=2 { CB:34.578 } atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } ::sumAvg: 4.99 atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } atom: 88 9R-HB2 B 1.58 ambi=2 { CB:34.578 } :: atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } atom: 89 9R-HB3 B 1.513 ambi=2 { CB:34.578 } ::sumAvg: 4.99 atom: 88 9R-HB2 B 1.58 ambi=2 { CB:34.578 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } :: atom: 89 9R-HB3 B 1.513 ambi=2 { CB:34.578 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } ::sumAvg: 3.385 atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 88 9R-HB2 B 1.58 ambi=2 { CB:34.578 } :: atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 89 9R-HB3 B 1.513 ambi=2 { CB:34.578 } ::sumAvg: 3.385 atom: 88 9R-HB2 B 1.58 ambi=2 { CB:34.578 } atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } :: atom: 89 9R-HB3 B 1.513 ambi=2 { CB:34.578 } atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } ::sumAvg: 4.775 atom: 88 9R-HB2 B 1.58 ambi=2 { CB:34.578 } atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } :: atom: 89 9R-HB3 B 1.513 ambi=2 { CB:34.578 } atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } ::sumAvg: 4.465 atom: 89 9R-HB3 B 1.513 ambi=2 { CB:34.578 } atom: 601 53E-HB2 B 1.913 ambi=2 { CB:33.338 } ::sumAvg: 4.89 atom: 601 53E-HB2 B 1.913 ambi=2 { CB:33.338 } atom: 89 9R-HB3 B 1.513 ambi=2 { CB:34.578 } ::sumAvg: 4.89 atom: 88 9R-HB2 B 1.58 ambi=2 { CB:34.578 } atom: 603 53E-QG G 2.13 ambi=2 { CG:35.465 } :: atom: 89 9R-HB3 B 1.513 ambi=2 { CB:34.578 } atom: 603 53E-QG G 2.13 ambi=2 { CG:35.465 } ::sumAvg: 4.12 atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 87 9R-HA A 5.469 ambi=1 { CA:52.542 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 3.71 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } ::sumAvg: 3.49 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } ::sumAvg: 4.66 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } ::sumAvg: 4.77 atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 4.77 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } ::sumAvg: 4.455 atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 4.455 atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } :: atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 4.065 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } ::sumAvg: 4.75 atom: 247 23L-HA A 5.035 ambi=1 { CA:52.941 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 247 23L-HA A 5.035 ambi=1 { CA:52.941 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 3.86 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } ::sumAvg: 3.49 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 261 24V-HA A 3.823 ambi=1 { CA:63.893 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 261 24V-HA A 3.823 ambi=1 { CA:63.893 } ::sumAvg: 3.87 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } ::sumAvg: 3.855 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 3.73 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } ::sumAvg: 4.03 atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 4.03 atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 4.055 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } ::sumAvg: 4.5 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } ::sumAvg: 4.68 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } ::sumAvg: 4.785 atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 4.785 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } ::sumAvg: 4.515 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } ::sumAvg: 4.5 atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 4.5 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 587 52L-HB2 B 1.757 ambi=1 { CB:47.265 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 587 52L-HB2 B 1.757 ambi=1 { CB:47.265 } ::sumAvg: 4.09 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } ::sumAvg: 4.45 atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 4.45 atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } :: atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } ::sumAvg: 4.64 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 610 54A-H N 8.779 ambi=1 { N:126.778 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 610 54A-H N 8.779 ambi=1 { N:126.778 } ::sumAvg: 3.85 atom: 78 8V-HG1 G1 0.571 ambi=2 { CG1:22.242 } atom: 617 55V-H N 8.289 ambi=1 { N:120.191 } :: atom: 79 8V-HG2 G2 0.538 ambi=2 { CG2:19.26 } atom: 617 55V-H N 8.289 ambi=1 { N:120.191 } ::sumAvg: 3.365 atom: 93 9R-HD3 D 3.089 ambi=2 { CD:43.305 } atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } :: atom: 92 9R-HD2 D 3.036 ambi=2 { CD:43.305 } atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } ::sumAvg: 4.96 atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } ::sumAvg: 4.945 atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } ::sumAvg: 4.755 atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } :: atom: 234 21E-HG3 G 2.004 ambi=2 { CG:36.351 } atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } ::sumAvg: 4.635 atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } ::sumAvg: 4.54 atom: 588 52L-HB3 B 0.887 ambi=1 { CB:47.265 } atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } ::sumAvg: 4.23 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } ::sumAvg: 4.1 atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } ::sumAvg: 4.7 atom: 601 53E-HB2 B 1.913 ambi=2 { CB:33.338 } atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } :: atom: 602 53E-HB3 B 1.815 ambi=2 { CB:33.338 } atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } ::sumAvg: 4.31 atom: 603 53E-QG G 2.13 ambi=2 { CG:35.465 } atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } ::sumAvg: 3.76 atom: 611 54A-HA A 4.629 ambi=1 { CA:52.493 } atom: 86 9R-H N 8.921 ambi=1 { N:118.296 } ::sumAvg: 3.88 atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } atom: 94 9R-HE E 7.355 ambi=1 { NE:83.825 } :: atom: 234 21E-HG3 G 2.004 ambi=2 { CG:36.351 } atom: 94 9R-HE E 7.355 ambi=1 { NE:83.825 } ::sumAvg: 4.69 atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 94 9R-HE E 7.355 ambi=1 { NE:83.825 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 94 9R-HE E 7.355 ambi=1 { NE:83.825 } ::sumAvg: 3.665 atom: 90 9R-HG2 G 1.35 ambi=2 { CG:26.955 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 90 9R-HG2 G 1.35 ambi=2 { CG:26.955 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } :: atom: 91 9R-HG3 G 1.306 ambi=2 { CG:26.955 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 4.945 atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 90 9R-HG2 G 1.35 ambi=2 { CG:26.955 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 90 9R-HG2 G 1.35 ambi=2 { CG:26.955 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 91 9R-HG3 G 1.306 ambi=2 { CG:26.955 } ::sumAvg: 4.945 atom: 90 9R-HG2 G 1.35 ambi=2 { CG:26.955 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } :: atom: 91 9R-HG3 G 1.306 ambi=2 { CG:26.955 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } ::sumAvg: 3.27 atom: 90 9R-HG2 G 1.35 ambi=2 { CG:26.955 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } :: atom: 91 9R-HG3 G 1.306 ambi=2 { CG:26.955 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } ::sumAvg: 3.7 atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 90 9R-HG2 G 1.35 ambi=2 { CG:26.955 } :: atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 91 9R-HG3 G 1.306 ambi=2 { CG:26.955 } ::sumAvg: 3.7 atom: 90 9R-HG2 G 1.35 ambi=2 { CG:26.955 } atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } :: atom: 91 9R-HG3 G 1.306 ambi=2 { CG:26.955 } atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } ::sumAvg: 3.96 atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } atom: 90 9R-HG2 G 1.35 ambi=2 { CG:26.955 } :: atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } atom: 91 9R-HG3 G 1.306 ambi=2 { CG:26.955 } ::sumAvg: 3.96 atom: 90 9R-HG2 G 1.35 ambi=2 { CG:26.955 } atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } :: atom: 90 9R-HG2 G 1.35 ambi=2 { CG:26.955 } atom: 234 21E-HG3 G 2.004 ambi=2 { CG:36.351 } :: atom: 91 9R-HG3 G 1.306 ambi=2 { CG:26.955 } atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } :: atom: 91 9R-HG3 G 1.306 ambi=2 { CG:26.955 } atom: 234 21E-HG3 G 2.004 ambi=2 { CG:36.351 } ::sumAvg: 3.46 atom: 90 9R-HG2 G 1.35 ambi=2 { CG:26.955 } atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } :: atom: 91 9R-HG3 G 1.306 ambi=2 { CG:26.955 } atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } ::sumAvg: 4.545 atom: 90 9R-HG2 G 1.35 ambi=2 { CG:26.955 } atom: 601 53E-HB2 B 1.913 ambi=2 { CB:33.338 } :: atom: 90 9R-HG2 G 1.35 ambi=2 { CG:26.955 } atom: 602 53E-HB3 B 1.815 ambi=2 { CB:33.338 } :: atom: 91 9R-HG3 G 1.306 ambi=2 { CG:26.955 } atom: 601 53E-HB2 B 1.913 ambi=2 { CB:33.338 } :: atom: 91 9R-HG3 G 1.306 ambi=2 { CG:26.955 } atom: 602 53E-HB3 B 1.815 ambi=2 { CB:33.338 } ::sumAvg: 4.265 atom: 601 53E-HB2 B 1.913 ambi=2 { CB:33.338 } atom: 90 9R-HG2 G 1.35 ambi=2 { CG:26.955 } :: atom: 602 53E-HB3 B 1.815 ambi=2 { CB:33.338 } atom: 90 9R-HG2 G 1.35 ambi=2 { CG:26.955 } :: atom: 601 53E-HB2 B 1.913 ambi=2 { CB:33.338 } atom: 91 9R-HG3 G 1.306 ambi=2 { CG:26.955 } :: atom: 602 53E-HB3 B 1.815 ambi=2 { CB:33.338 } atom: 91 9R-HG3 G 1.306 ambi=2 { CG:26.955 } ::sumAvg: 4.265 atom: 90 9R-HG2 G 1.35 ambi=2 { CG:26.955 } atom: 603 53E-QG G 2.13 ambi=2 { CG:35.465 } :: atom: 91 9R-HG3 G 1.306 ambi=2 { CG:26.955 } atom: 603 53E-QG G 2.13 ambi=2 { CG:35.465 } ::sumAvg: 4.76 atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 90 9R-HG2 G 1.35 ambi=2 { CG:26.955 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 90 9R-HG2 G 1.35 ambi=2 { CG:26.955 } :: atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 91 9R-HG3 G 1.306 ambi=2 { CG:26.955 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 91 9R-HG3 G 1.306 ambi=2 { CG:26.955 } ::sumAvg: 3.32 atom: 93 9R-HD3 D 3.089 ambi=2 { CD:43.305 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } :: atom: 92 9R-HD2 D 3.036 ambi=2 { CD:43.305 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } ::sumAvg: 4.925 atom: 93 9R-HD3 D 3.089 ambi=2 { CD:43.305 } atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } :: atom: 92 9R-HD2 D 3.036 ambi=2 { CD:43.305 } atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } ::sumAvg: 4.515 atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } atom: 93 9R-HD3 D 3.089 ambi=2 { CD:43.305 } :: atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } atom: 92 9R-HD2 D 3.036 ambi=2 { CD:43.305 } ::sumAvg: 4.515 atom: 93 9R-HD3 D 3.089 ambi=2 { CD:43.305 } atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } :: atom: 92 9R-HD2 D 3.036 ambi=2 { CD:43.305 } atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } ::sumAvg: 4.755 atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } atom: 93 9R-HD3 D 3.089 ambi=2 { CD:43.305 } :: atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } atom: 92 9R-HD2 D 3.036 ambi=2 { CD:43.305 } ::sumAvg: 4.755 atom: 93 9R-HD3 D 3.089 ambi=2 { CD:43.305 } atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } :: atom: 93 9R-HD3 D 3.089 ambi=2 { CD:43.305 } atom: 234 21E-HG3 G 2.004 ambi=2 { CG:36.351 } :: atom: 92 9R-HD2 D 3.036 ambi=2 { CD:43.305 } atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } :: atom: 92 9R-HD2 D 3.036 ambi=2 { CD:43.305 } atom: 234 21E-HG3 G 2.004 ambi=2 { CG:36.351 } ::sumAvg: 3.915 atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } atom: 93 9R-HD3 D 3.089 ambi=2 { CD:43.305 } :: atom: 234 21E-HG3 G 2.004 ambi=2 { CG:36.351 } atom: 93 9R-HD3 D 3.089 ambi=2 { CD:43.305 } :: atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } atom: 92 9R-HD2 D 3.036 ambi=2 { CD:43.305 } :: atom: 234 21E-HG3 G 2.004 ambi=2 { CG:36.351 } atom: 92 9R-HD2 D 3.036 ambi=2 { CD:43.305 } ::sumAvg: 3.915 atom: 93 9R-HD3 D 3.089 ambi=2 { CD:43.305 } atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } :: atom: 93 9R-HD3 D 3.089 ambi=2 { CD:43.305 } atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } :: atom: 92 9R-HD2 D 3.036 ambi=2 { CD:43.305 } atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } :: atom: 92 9R-HD2 D 3.036 ambi=2 { CD:43.305 } atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } ::sumAvg: 3.265 atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 93 9R-HD3 D 3.089 ambi=2 { CD:43.305 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 93 9R-HD3 D 3.089 ambi=2 { CD:43.305 } :: atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 92 9R-HD2 D 3.036 ambi=2 { CD:43.305 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 92 9R-HD2 D 3.036 ambi=2 { CD:43.305 } ::sumAvg: 3.265 atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } atom: 113 11T-H N 9.01 ambi=1 { N:119.053 } ::sumAvg: 4.22 atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } atom: 114 11T-HA A 4.525 ambi=1 { CA:61.475 } ::sumAvg: 4.965 atom: 114 11T-HA A 4.525 ambi=1 { CA:61.475 } atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } ::sumAvg: 4.965 atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } ::sumAvg: 4.41 atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } ::sumAvg: 4.94 atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } ::sumAvg: 4.94 atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } atom: 170 17Y-HA A 3.917 ambi=1 { CA:57.816 } ::sumAvg: 4.935 atom: 170 17Y-HA A 3.917 ambi=1 { CA:57.816 } atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } ::sumAvg: 4.935 atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } ::sumAvg: 4.54 atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } ::sumAvg: 4.885 atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } ::sumAvg: 4.885 atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } ::sumAvg: 4.355 atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } atom: 215 20F-HB2 B 3.388 ambi=1 { CB:39.39 } ::sumAvg: 4.415 atom: 215 20F-HB2 B 3.388 ambi=1 { CB:39.39 } atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } ::sumAvg: 4.415 atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } ::sumAvg: 4.58 atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } ::sumAvg: 3.86 atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } :: atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 4.3 atom: 114 11T-HA A 4.525 ambi=1 { CA:61.475 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 114 11T-HA A 4.525 ambi=1 { CA:61.475 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 3.76 atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } ::sumAvg: 4.305 atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 4.305 atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 4.095 atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 126 12N-HD21 D2 8.732 ambi=1 { ND2:112.575 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 126 12N-HD21 D2 8.732 ambi=1 { ND2:112.575 } ::sumAvg: 4.16 atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 134 13V-HA A 2.231 ambi=1 { CA:62.567 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 134 13V-HA A 2.231 ambi=1 { CA:62.567 } ::sumAvg: 4.985 atom: 134 13V-HA A 2.231 ambi=1 { CA:62.567 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 134 13V-HA A 2.231 ambi=1 { CA:62.567 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 4.985 atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } ::sumAvg: 4.605 atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } ::sumAvg: 3.6 atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 170 17Y-HA A 3.917 ambi=1 { CA:57.816 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 170 17Y-HA A 3.917 ambi=1 { CA:57.816 } ::sumAvg: 4.62 atom: 170 17Y-HA A 3.917 ambi=1 { CA:57.816 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 170 17Y-HA A 3.917 ambi=1 { CA:57.816 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 4.62 atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } ::sumAvg: 3.885 atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } ::sumAvg: 3.93 atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } ::sumAvg: 3.93 atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } ::sumAvg: 4.235 atom: 215 20F-HB2 B 3.388 ambi=1 { CB:39.39 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 216 20F-HB3 B 2.66 ambi=1 { CB:39.39 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 215 20F-HB2 B 3.388 ambi=1 { CB:39.39 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } :: atom: 216 20F-HB3 B 2.66 ambi=1 { CB:39.39 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 3.825 atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } ::sumAvg: 4.425 atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 4.425 atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } ::sumAvg: 4.1 atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 4.1 atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } ::sumAvg: 3.325 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 3.325 atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } :: atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 525 47F-HB3 B 3.45 ambi=1 { CB:44.197 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 525 47F-HB3 B 3.45 ambi=1 { CB:44.197 } ::sumAvg: 4.08 atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 525 47F-HB3 B 3.45 ambi=1 { CB:44.197 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } :: atom: 525 47F-HB3 B 3.45 ambi=1 { CB:44.197 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 4.08 atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } ::sumAvg: 3.2 atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } ::sumAvg: 4.845 atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 4.845 atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 3.25 atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } ::sumAvg: 4.935 atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } :: atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 4.935 atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } ::sumAvg: 4.125 atom: 588 52L-HB3 B 0.887 ambi=1 { CB:47.265 } atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } ::sumAvg: 4.99 atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } :: atom: 106 10V-HG2 G2 0.424 ambi=2 { CG2:20.839 } atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } ::sumAvg: 4.31 atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 2.195 atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 105 10V-HG1 G1 0.932 ambi=2 { CG1:20.555 } ::sumAvg: 2.195 atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } ::sumAvg: 4.605 atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } ::sumAvg: 4.705 atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } ::sumAvg: 4.655 atom: 215 20F-HB2 B 3.388 ambi=1 { CB:39.39 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } ::sumAvg: 4.56 atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } ::sumAvg: 3.76 atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } :: atom: 234 21E-HG3 G 2.004 ambi=2 { CG:36.351 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } ::sumAvg: 4.95 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 102 10V-H N 7.948 ambi=1 { N:123.758 } ::sumAvg: 3.895 atom: 104 10V-HB B 2.465 ambi=1 { CB:31.234 } atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } ::sumAvg: 3.035 atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } ::sumAvg: 3.565 atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } ::sumAvg: 3.565 atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } ::sumAvg: 3.555 atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } ::sumAvg: 4.69 atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } ::sumAvg: 4.69 atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } ::sumAvg: 4.44 atom: 588 52L-HB3 B 0.887 ambi=1 { CB:47.265 } atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } ::sumAvg: 4.62 atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } ::sumAvg: 4.45 atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } ::sumAvg: 4.45 atom: 103 10V-HA A 4.314 ambi=1 { CA:62.103 } atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } ::sumAvg: 3.885 atom: 115 11T-HB B 4.508 ambi=1 { CB:68.695 } atom: 113 11T-H N 9.01 ambi=1 { N:119.053 } ::sumAvg: 3.725 atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } atom: 113 11T-H N 9.01 ambi=1 { N:119.053 } ::sumAvg: 4.62 atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } atom: 113 11T-H N 9.01 ambi=1 { N:119.053 } ::sumAvg: 3.87 atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } atom: 113 11T-H N 9.01 ambi=1 { N:119.053 } ::sumAvg: 4.125 atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } atom: 113 11T-H N 9.01 ambi=1 { N:119.053 } ::sumAvg: 3.745 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 113 11T-H N 9.01 ambi=1 { N:119.053 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 113 11T-H N 9.01 ambi=1 { N:119.053 } ::sumAvg: 3.375 atom: 114 11T-HA A 4.525 ambi=1 { CA:61.475 } atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } ::sumAvg: 4.965 atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } atom: 114 11T-HA A 4.525 ambi=1 { CA:61.475 } ::sumAvg: 4.965 atom: 114 11T-HA A 4.525 ambi=1 { CA:61.475 } atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } ::sumAvg: 4.52 atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } atom: 114 11T-HA A 4.525 ambi=1 { CA:61.475 } ::sumAvg: 4.52 atom: 114 11T-HA A 4.525 ambi=1 { CA:61.475 } atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } ::sumAvg: 4.955 atom: 115 11T-HB B 4.508 ambi=1 { CB:68.695 } atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } ::sumAvg: 4.23 atom: 115 11T-HB B 4.508 ambi=1 { CB:68.695 } atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } ::sumAvg: 4.77 atom: 115 11T-HB B 4.508 ambi=1 { CB:68.695 } atom: 189 18Y-QE E 6.73 ambi=3 { CE1:118.142 } ::sumAvg: 3.81 atom: 115 11T-HB B 4.508 ambi=1 { CB:68.695 } atom: 601 53E-HB2 B 1.913 ambi=2 { CB:33.338 } :: atom: 115 11T-HB B 4.508 ambi=1 { CB:68.695 } atom: 602 53E-HB3 B 1.815 ambi=2 { CB:33.338 } ::sumAvg: 4.855 atom: 601 53E-HB2 B 1.913 ambi=2 { CB:33.338 } atom: 115 11T-HB B 4.508 ambi=1 { CB:68.695 } :: atom: 602 53E-HB3 B 1.815 ambi=2 { CB:33.338 } atom: 115 11T-HB B 4.508 ambi=1 { CB:68.695 } ::sumAvg: 4.855 atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } ::sumAvg: 4.11 atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } ::sumAvg: 4.68 atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } atom: 189 18Y-QE E 6.73 ambi=3 { CE1:118.142 } ::sumAvg: 4.215 atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } ::sumAvg: 4.895 atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } ::sumAvg: 4.895 atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } atom: 585 52L-H N 7.301 ambi=1 { N:116.595 } ::sumAvg: 4.805 atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } ::sumAvg: 3.215 atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 4.255 atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } ::sumAvg: 4.255 atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } ::sumAvg: 4.13 atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } atom: 116 11T-HG2 G2 1.049 ambi=1 { CG2:22.263 } ::sumAvg: 4.13 atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } ::sumAvg: 2.845 atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } ::sumAvg: 4.635 atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } :: atom: 186 18Y-HB3 B 2.685 ambi=2 { CB:37.665 } atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } ::sumAvg: 4.995 atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } ::sumAvg: 4.265 atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } ::sumAvg: 3.405 atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } ::sumAvg: 4.75 atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } ::sumAvg: 4.88 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 122 12N-H N 6.705 ambi=1 { N:119.138 } ::sumAvg: 4.545 atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } ::sumAvg: 2.46 atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } atom: 126 12N-HD21 D2 8.732 ambi=1 { ND2:112.575 } :: atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } atom: 127 12N-HD22 D2 7.106 ambi=1 { ND2:112.575 } ::sumAvg: 4.235 atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } atom: 133 13V-H N 7.956 ambi=1 { N:124.955 } ::sumAvg: 2.13 atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } atom: 134 13V-HA A 2.231 ambi=1 { CA:62.567 } ::sumAvg: 4.345 atom: 134 13V-HA A 2.231 ambi=1 { CA:62.567 } atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } ::sumAvg: 4.345 atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } atom: 136 13V-QG G 0.696 ambi=2 { QCG:20.159 } ::sumAvg: 3.58 atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } atom: 144 14D-H N 7.544 ambi=1 { N:117.348 } ::sumAvg: 3.82 atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } ::sumAvg: 4.4 atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } atom: 189 18Y-QE E 6.73 ambi=3 { CE1:118.142 } ::sumAvg: 4.925 atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } ::sumAvg: 4.175 atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } ::sumAvg: 4.175 atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } ::sumAvg: 4.24 atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } atom: 123 12N-HA A 4.772 ambi=1 { CA:52.557 } ::sumAvg: 4.24 atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } atom: 134 13V-HA A 2.231 ambi=1 { CA:62.567 } ::sumAvg: 4.72 atom: 134 13V-HA A 2.231 ambi=1 { CA:62.567 } atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } ::sumAvg: 4.72 atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } atom: 136 13V-QG G 0.696 ambi=2 { QCG:20.159 } ::sumAvg: 4.6 atom: 136 13V-QG G 0.696 ambi=2 { QCG:20.159 } atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } ::sumAvg: 4.6 atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } atom: 144 14D-H N 7.544 ambi=1 { N:117.348 } ::sumAvg: 3.955 atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } ::sumAvg: 3.78 atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } ::sumAvg: 4.85 atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } ::sumAvg: 4.85 atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } ::sumAvg: 4.805 atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } ::sumAvg: 4.805 atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } ::sumAvg: 4.395 atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } ::sumAvg: 4.395 atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } ::sumAvg: 4.16 atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } atom: 525 47F-HB3 B 3.45 ambi=1 { CB:44.197 } ::sumAvg: 4.675 atom: 525 47F-HB3 B 3.45 ambi=1 { CB:44.197 } atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } ::sumAvg: 4.675 atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } ::sumAvg: 3.865 atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } ::sumAvg: 4.385 atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } ::sumAvg: 3.835 atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } atom: 124 12N-QB B 2.916 ambi=2 { CB:38.124 } ::sumAvg: 3.835 atom: 146 14D-HB2 B 2.79 ambi=2 { CB:41.234 } atom: 127 12N-HD22 D2 7.106 ambi=1 { ND2:112.575 } :: atom: 147 14D-HB3 B 2.459 ambi=2 { CB:41.234 } atom: 127 12N-HD22 D2 7.106 ambi=1 { ND2:112.575 } ::sumAvg: 3.96 atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } atom: 126 12N-HD21 D2 8.732 ambi=1 { ND2:112.575 } :: atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } atom: 127 12N-HD22 D2 7.106 ambi=1 { ND2:112.575 } ::sumAvg: 4.715 atom: 154 15D-HB2 B 2.579 ambi=1 { CB:45.096 } atom: 126 12N-HD21 D2 8.732 ambi=1 { ND2:112.575 } :: atom: 155 15D-HB3 B 2.732 ambi=1 { CB:45.096 } atom: 126 12N-HD21 D2 8.732 ambi=1 { ND2:112.575 } :: atom: 154 15D-HB2 B 2.579 ambi=1 { CB:45.096 } atom: 127 12N-HD22 D2 7.106 ambi=1 { ND2:112.575 } :: atom: 155 15D-HB3 B 2.732 ambi=1 { CB:45.096 } atom: 127 12N-HD22 D2 7.106 ambi=1 { ND2:112.575 } ::sumAvg: 4.025 atom: 146 14D-HB2 B 2.79 ambi=2 { CB:41.234 } atom: 133 13V-H N 7.956 ambi=1 { N:124.955 } :: atom: 147 14D-HB3 B 2.459 ambi=2 { CB:41.234 } atom: 133 13V-H N 7.956 ambi=1 { N:124.955 } ::sumAvg: 4.905 atom: 134 13V-HA A 2.231 ambi=1 { CA:62.567 } atom: 145 14D-HA A 4.612 ambi=1 { CA:54.126 } ::sumAvg: 4.68 atom: 145 14D-HA A 4.612 ambi=1 { CA:54.126 } atom: 134 13V-HA A 2.231 ambi=1 { CA:62.567 } ::sumAvg: 4.68 atom: 134 13V-HA A 2.231 ambi=1 { CA:62.567 } atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } ::sumAvg: 4.1 atom: 134 13V-HA A 2.231 ambi=1 { CA:62.567 } atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } ::sumAvg: 4.56 atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } atom: 134 13V-HA A 2.231 ambi=1 { CA:62.567 } ::sumAvg: 4.56 atom: 135 13V-HB B 1.637 ambi=1 { CB:31.521 } atom: 145 14D-HA A 4.612 ambi=1 { CA:54.126 } ::sumAvg: 4.985 atom: 145 14D-HA A 4.612 ambi=1 { CA:54.126 } atom: 135 13V-HB B 1.637 ambi=1 { CB:31.521 } ::sumAvg: 4.985 atom: 135 13V-HB B 1.637 ambi=1 { CB:31.521 } atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } ::sumAvg: 4.635 atom: 135 13V-HB B 1.637 ambi=1 { CB:31.521 } atom: 189 18Y-QE E 6.73 ambi=3 { CE1:118.142 } ::sumAvg: 4.345 atom: 145 14D-HA A 4.612 ambi=1 { CA:54.126 } atom: 136 13V-QG G 0.696 ambi=2 { QCG:20.159 } ::sumAvg: 3.085 atom: 136 13V-QG G 0.696 ambi=2 { QCG:20.159 } atom: 146 14D-HB2 B 2.79 ambi=2 { CB:41.234 } :: atom: 136 13V-QG G 0.696 ambi=2 { QCG:20.159 } atom: 147 14D-HB3 B 2.459 ambi=2 { CB:41.234 } ::sumAvg: 4.04 atom: 146 14D-HB2 B 2.79 ambi=2 { CB:41.234 } atom: 136 13V-QG G 0.696 ambi=2 { QCG:20.159 } :: atom: 147 14D-HB3 B 2.459 ambi=2 { CB:41.234 } atom: 136 13V-QG G 0.696 ambi=2 { QCG:20.159 } ::sumAvg: 4.04 atom: 136 13V-QG G 0.696 ambi=2 { QCG:20.159 } atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } ::sumAvg: 4.27 atom: 136 13V-QG G 0.696 ambi=2 { QCG:20.159 } atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } :: atom: 136 13V-QG G 0.696 ambi=2 { QCG:20.159 } atom: 186 18Y-HB3 B 2.685 ambi=2 { CB:37.665 } ::sumAvg: 4.065 atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } atom: 136 13V-QG G 0.696 ambi=2 { QCG:20.159 } :: atom: 186 18Y-HB3 B 2.685 ambi=2 { CB:37.665 } atom: 136 13V-QG G 0.696 ambi=2 { QCG:20.159 } ::sumAvg: 4.065 atom: 145 14D-HA A 4.612 ambi=1 { CA:54.126 } atom: 144 14D-H N 7.544 ambi=1 { N:117.348 } ::sumAvg: 2.88 atom: 145 14D-HA A 4.612 ambi=1 { CA:54.126 } atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } ::sumAvg: 2.89 atom: 146 14D-HB2 B 2.79 ambi=2 { CB:41.234 } atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } :: atom: 147 14D-HB3 B 2.459 ambi=2 { CB:41.234 } atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } ::sumAvg: 3.66 atom: 146 14D-HB2 B 2.79 ambi=2 { CB:41.234 } atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } :: atom: 147 14D-HB3 B 2.459 ambi=2 { CB:41.234 } atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } ::sumAvg: 4.595 atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } atom: 146 14D-HB2 B 2.79 ambi=2 { CB:41.234 } :: atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } atom: 147 14D-HB3 B 2.459 ambi=2 { CB:41.234 } ::sumAvg: 4.595 atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } ::sumAvg: 2.885 atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } :: atom: 186 18Y-HB3 B 2.685 ambi=2 { CB:37.665 } atom: 152 15D-H N 7.668 ambi=1 { N:121.775 } ::sumAvg: 3.645 atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } atom: 154 15D-HB2 B 2.579 ambi=1 { CB:45.096 } :: atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } atom: 155 15D-HB3 B 2.732 ambi=1 { CB:45.096 } ::sumAvg: 2.64 atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } atom: 160 16T-H N 8.588 ambi=1 { N:124.36 } ::sumAvg: 2.46 atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } atom: 161 16T-HA A 3.797 ambi=1 { CA:65.658 } ::sumAvg: 4.35 atom: 161 16T-HA A 3.797 ambi=1 { CA:65.658 } atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } ::sumAvg: 4.35 atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } atom: 163 16T-HG2 G2 0.634 ambi=1 { CG2:21.003 } ::sumAvg: 4.42 atom: 163 16T-HG2 G2 0.634 ambi=1 { CG2:21.003 } atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } ::sumAvg: 4.42 atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } ::sumAvg: 4.085 atom: 153 15D-HA A 4.683 ambi=1 { CA:54.173 } atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } ::sumAvg: 4.88 atom: 154 15D-HB2 B 2.579 ambi=1 { CB:45.096 } atom: 160 16T-H N 8.588 ambi=1 { N:124.36 } :: atom: 155 15D-HB3 B 2.732 ambi=1 { CB:45.096 } atom: 160 16T-H N 8.588 ambi=1 { N:124.36 } ::sumAvg: 2.97 atom: 155 15D-HB3 B 2.732 ambi=1 { CB:45.096 } atom: 161 16T-HA A 3.797 ambi=1 { CA:65.658 } ::sumAvg: 4.965 atom: 161 16T-HA A 3.797 ambi=1 { CA:65.658 } atom: 155 15D-HB3 B 2.732 ambi=1 { CB:45.096 } ::sumAvg: 4.965 atom: 154 15D-HB2 B 2.579 ambi=1 { CB:45.096 } atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } :: atom: 155 15D-HB3 B 2.732 ambi=1 { CB:45.096 } atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } ::sumAvg: 3.265 atom: 154 15D-HB2 B 2.579 ambi=1 { CB:45.096 } atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } :: atom: 155 15D-HB3 B 2.732 ambi=1 { CB:45.096 } atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } ::sumAvg: 4.255 atom: 154 15D-HB2 B 2.579 ambi=1 { CB:45.096 } atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } :: atom: 155 15D-HB3 B 2.732 ambi=1 { CB:45.096 } atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } ::sumAvg: 4.24 atom: 155 15D-HB3 B 2.732 ambi=1 { CB:45.096 } atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } ::sumAvg: 4.995 atom: 154 15D-HB2 B 2.579 ambi=1 { CB:45.096 } atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } :: atom: 155 15D-HB3 B 2.732 ambi=1 { CB:45.096 } atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } ::sumAvg: 4.385 atom: 154 15D-HB2 B 2.579 ambi=1 { CB:45.096 } atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } ::sumAvg: 4.78 atom: 154 15D-HB2 B 2.579 ambi=1 { CB:45.096 } atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } :: atom: 155 15D-HB3 B 2.732 ambi=1 { CB:45.096 } atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } ::sumAvg: 3.67 atom: 155 15D-HB3 B 2.732 ambi=1 { CB:45.096 } atom: 530 47F-HZ Z 7.092 ambi=1 { CZ:129.538 } ::sumAvg: 4.775 atom: 163 16T-HG2 G2 0.634 ambi=1 { CG2:21.003 } atom: 160 16T-H N 8.588 ambi=1 { N:124.36 } ::sumAvg: 3.015 atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } atom: 160 16T-H N 8.588 ambi=1 { N:124.36 } ::sumAvg: 4.48 atom: 161 16T-HA A 3.797 ambi=1 { CA:65.658 } atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } ::sumAvg: 3.625 atom: 161 16T-HA A 3.797 ambi=1 { CA:65.658 } atom: 186 18Y-HB3 B 2.685 ambi=2 { CB:37.665 } ::sumAvg: 4.835 atom: 163 16T-HG2 G2 0.634 ambi=1 { CG2:21.003 } atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } ::sumAvg: 3.91 atom: 163 16T-HG2 G2 0.634 ambi=1 { CG2:21.003 } atom: 170 17Y-HA A 3.917 ambi=1 { CA:57.816 } ::sumAvg: 4.445 atom: 170 17Y-HA A 3.917 ambi=1 { CA:57.816 } atom: 163 16T-HG2 G2 0.634 ambi=1 { CG2:21.003 } ::sumAvg: 4.445 atom: 163 16T-HG2 G2 0.634 ambi=1 { CG2:21.003 } atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } ::sumAvg: 4.375 atom: 163 16T-HG2 G2 0.634 ambi=1 { CG2:21.003 } atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } ::sumAvg: 4.825 atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } ::sumAvg: 4.53 atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } :: atom: 186 18Y-HB3 B 2.685 ambi=2 { CB:37.665 } atom: 169 17Y-H N 9.797 ambi=1 { N:119.764 } ::sumAvg: 4.465 atom: 170 17Y-HA A 3.917 ambi=1 { CA:57.816 } atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } ::sumAvg: 4.555 atom: 170 17Y-HA A 3.917 ambi=1 { CA:57.816 } atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } ::sumAvg: 3.965 atom: 170 17Y-HA A 3.917 ambi=1 { CA:57.816 } atom: 215 20F-HB2 B 3.388 ambi=1 { CB:39.39 } :: atom: 170 17Y-HA A 3.917 ambi=1 { CA:57.816 } atom: 216 20F-HB3 B 2.66 ambi=1 { CB:39.39 } ::sumAvg: 3.295 atom: 215 20F-HB2 B 3.388 ambi=1 { CB:39.39 } atom: 170 17Y-HA A 3.917 ambi=1 { CA:57.816 } :: atom: 216 20F-HB3 B 2.66 ambi=1 { CB:39.39 } atom: 170 17Y-HA A 3.917 ambi=1 { CA:57.816 } ::sumAvg: 3.295 atom: 170 17Y-HA A 3.917 ambi=1 { CA:57.816 } atom: 221 20F-HZ Z 7.155 ambi=1 { CZ:129.496 } ::sumAvg: 4.97 atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } ::sumAvg: 3.955 atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } ::sumAvg: 3.61 atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } ::sumAvg: 4.26 atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } ::sumAvg: 4.26 atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } ::sumAvg: 4.6 atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } ::sumAvg: 3.72 atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } ::sumAvg: 3.1 atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } atom: 219 20F-QE E 7.249 ambi=3 { CE1:131.108 } ::sumAvg: 4.89 atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } ::sumAvg: 4.175 atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } :: atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } ::sumAvg: 4.52 atom: 171 17Y-QB B 2.814 ambi=2 { CB:36.777 } atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } ::sumAvg: 4.85 atom: 215 20F-HB2 B 3.388 ambi=1 { CB:39.39 } atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } :: atom: 216 20F-HB3 B 2.66 ambi=1 { CB:39.39 } atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } ::sumAvg: 3.195 atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } :: atom: 393 36F-HB3 B 3.477 ambi=1 { CB:40.699 } atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } ::sumAvg: 4.55 atom: 504 45V-HB B 1.695 ambi=1 { CB:35.267 } atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } ::sumAvg: 4.19 atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } :: atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } atom: 173 17Y-QD D 6.386 ambi=3 { CD1:132.812 } ::sumAvg: 3.445 atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } :: atom: 393 36F-HB3 B 3.477 ambi=1 { CB:40.699 } atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } ::sumAvg: 4.055 atom: 473 43K-HB2 B 1.634 ambi=2 { CB:36.014 } atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } :: atom: 474 43K-HB3 B 1.527 ambi=2 { CB:36.014 } atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } ::sumAvg: 3.66 atom: 475 43K-QG G 1.363 ambi=2 { CG:24.75 } atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } ::sumAvg: 3.58 atom: 477 43K-QD D 1.697 ambi=2 { CD:28.883 } atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } ::sumAvg: 4.14 atom: 479 43K-QE E 2.999 ambi=2 { CE:41.994 } atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } ::sumAvg: 3.96 atom: 504 45V-HB B 1.695 ambi=1 { CB:35.267 } atom: 175 17Y-QE E 6.494 ambi=3 { CE1:117.29 } ::sumAvg: 4.105 atom: 201 19R-HG2 G 0.225 ambi=2 { CG:26.799 } atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } :: atom: 202 19R-HG3 G 0.754 ambi=2 { CG:26.799 } atom: 183 18Y-H N 7.553 ambi=1 { N:120.582 } ::sumAvg: 4.89 atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } atom: 189 18Y-QE E 6.73 ambi=3 { CE1:118.142 } ::sumAvg: 4.51 atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } atom: 199 19R-HB2 B 1.846 ambi=2 { CB:27.991 } :: atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } atom: 200 19R-HB3 B 1.696 ambi=2 { CB:27.991 } ::sumAvg: 4.755 atom: 199 19R-HB2 B 1.846 ambi=2 { CB:27.991 } atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } :: atom: 200 19R-HB3 B 1.696 ambi=2 { CB:27.991 } atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } ::sumAvg: 4.755 atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } atom: 201 19R-HG2 G 0.225 ambi=2 { CG:26.799 } :: atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } atom: 202 19R-HG3 G 0.754 ambi=2 { CG:26.799 } ::sumAvg: 4.305 atom: 201 19R-HG2 G 0.225 ambi=2 { CG:26.799 } atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } :: atom: 202 19R-HG3 G 0.754 ambi=2 { CG:26.799 } atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } ::sumAvg: 4.305 atom: 184 18Y-HA A 3.974 ambi=1 { CA:59.454 } atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } ::sumAvg: 3.615 atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } atom: 189 18Y-QE E 6.73 ambi=3 { CE1:118.142 } :: atom: 186 18Y-HB3 B 2.685 ambi=2 { CB:37.665 } atom: 189 18Y-QE E 6.73 ambi=3 { CE1:118.142 } ::sumAvg: 4.4 atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } atom: 199 19R-HB2 B 1.846 ambi=2 { CB:27.991 } :: atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } atom: 200 19R-HB3 B 1.696 ambi=2 { CB:27.991 } :: atom: 186 18Y-HB3 B 2.685 ambi=2 { CB:37.665 } atom: 199 19R-HB2 B 1.846 ambi=2 { CB:27.991 } :: atom: 186 18Y-HB3 B 2.685 ambi=2 { CB:37.665 } atom: 200 19R-HB3 B 1.696 ambi=2 { CB:27.991 } ::sumAvg: 4.5 atom: 199 19R-HB2 B 1.846 ambi=2 { CB:27.991 } atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } :: atom: 200 19R-HB3 B 1.696 ambi=2 { CB:27.991 } atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } :: atom: 199 19R-HB2 B 1.846 ambi=2 { CB:27.991 } atom: 186 18Y-HB3 B 2.685 ambi=2 { CB:37.665 } :: atom: 200 19R-HB3 B 1.696 ambi=2 { CB:27.991 } atom: 186 18Y-HB3 B 2.685 ambi=2 { CB:37.665 } ::sumAvg: 4.5 atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } atom: 201 19R-HG2 G 0.225 ambi=2 { CG:26.799 } :: atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } atom: 202 19R-HG3 G 0.754 ambi=2 { CG:26.799 } :: atom: 186 18Y-HB3 B 2.685 ambi=2 { CB:37.665 } atom: 201 19R-HG2 G 0.225 ambi=2 { CG:26.799 } :: atom: 186 18Y-HB3 B 2.685 ambi=2 { CB:37.665 } atom: 202 19R-HG3 G 0.754 ambi=2 { CG:26.799 } ::sumAvg: 4.345 atom: 201 19R-HG2 G 0.225 ambi=2 { CG:26.799 } atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } :: atom: 202 19R-HG3 G 0.754 ambi=2 { CG:26.799 } atom: 185 18Y-HB2 B 3.829 ambi=2 { CB:37.665 } :: atom: 201 19R-HG2 G 0.225 ambi=2 { CG:26.799 } atom: 186 18Y-HB3 B 2.685 ambi=2 { CB:37.665 } :: atom: 202 19R-HG3 G 0.754 ambi=2 { CG:26.799 } atom: 186 18Y-HB3 B 2.685 ambi=2 { CB:37.665 } ::sumAvg: 4.345 atom: 198 19R-HA A 3.273 ambi=1 { CA:59.502 } atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } ::sumAvg: 4.69 atom: 199 19R-HB2 B 1.846 ambi=2 { CB:27.991 } atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } :: atom: 200 19R-HB3 B 1.696 ambi=2 { CB:27.991 } atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } ::sumAvg: 4.25 atom: 201 19R-HG2 G 0.225 ambi=2 { CG:26.799 } atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } :: atom: 202 19R-HG3 G 0.754 ambi=2 { CG:26.799 } atom: 187 18Y-QD D 6.91 ambi=3 { CD1:133.015 } ::sumAvg: 4.24 atom: 199 19R-HB2 B 1.846 ambi=2 { CB:27.991 } atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } :: atom: 200 19R-HB3 B 1.696 ambi=2 { CB:27.991 } atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } ::sumAvg: 3.605 atom: 201 19R-HG2 G 0.225 ambi=2 { CG:26.799 } atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } :: atom: 202 19R-HG3 G 0.754 ambi=2 { CG:26.799 } atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } ::sumAvg: 3.165 atom: 203 19R-QD D 2.809 ambi=2 { CD:43.32 } atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } ::sumAvg: 4.83 atom: 215 20F-HB2 B 3.388 ambi=1 { CB:39.39 } atom: 197 19R-H N 8.454 ambi=1 { N:119.027 } ::sumAvg: 4.46 atom: 198 19R-HA A 3.273 ambi=1 { CA:59.502 } atom: 214 20F-HA A 4.378 ambi=1 { CA:58.661 } ::sumAvg: 4.475 atom: 214 20F-HA A 4.378 ambi=1 { CA:58.661 } atom: 198 19R-HA A 3.273 ambi=1 { CA:59.502 } ::sumAvg: 4.475 atom: 199 19R-HB2 B 1.846 ambi=2 { CB:27.991 } atom: 205 19R-HE E 6.825 ambi=1 { NE:84.625 } :: atom: 200 19R-HB3 B 1.696 ambi=2 { CB:27.991 } atom: 205 19R-HE E 6.825 ambi=1 { NE:84.625 } ::sumAvg: 3.555 atom: 199 19R-HB2 B 1.846 ambi=2 { CB:27.991 } atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } :: atom: 200 19R-HB3 B 1.696 ambi=2 { CB:27.991 } atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } ::sumAvg: 3.97 atom: 199 19R-HB2 B 1.846 ambi=2 { CB:27.991 } atom: 214 20F-HA A 4.378 ambi=1 { CA:58.661 } :: atom: 200 19R-HB3 B 1.696 ambi=2 { CB:27.991 } atom: 214 20F-HA A 4.378 ambi=1 { CA:58.661 } ::sumAvg: 4.58 atom: 214 20F-HA A 4.378 ambi=1 { CA:58.661 } atom: 199 19R-HB2 B 1.846 ambi=2 { CB:27.991 } :: atom: 214 20F-HA A 4.378 ambi=1 { CA:58.661 } atom: 200 19R-HB3 B 1.696 ambi=2 { CB:27.991 } ::sumAvg: 4.58 atom: 199 19R-HB2 B 1.846 ambi=2 { CB:27.991 } atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } :: atom: 200 19R-HB3 B 1.696 ambi=2 { CB:27.991 } atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } ::sumAvg: 4.19 atom: 199 19R-HB2 B 1.846 ambi=2 { CB:27.991 } atom: 219 20F-QE E 7.249 ambi=3 { CE1:131.108 } :: atom: 200 19R-HB3 B 1.696 ambi=2 { CB:27.991 } atom: 219 20F-QE E 7.249 ambi=3 { CE1:131.108 } ::sumAvg: 4.705 atom: 201 19R-HG2 G 0.225 ambi=2 { CG:26.799 } atom: 205 19R-HE E 6.825 ambi=1 { NE:84.625 } :: atom: 202 19R-HG3 G 0.754 ambi=2 { CG:26.799 } atom: 205 19R-HE E 6.825 ambi=1 { NE:84.625 } ::sumAvg: 2.68 atom: 201 19R-HG2 G 0.225 ambi=2 { CG:26.799 } atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } :: atom: 202 19R-HG3 G 0.754 ambi=2 { CG:26.799 } atom: 213 20F-H N 8.924 ambi=1 { N:122.532 } ::sumAvg: 3.855 atom: 201 19R-HG2 G 0.225 ambi=2 { CG:26.799 } atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } :: atom: 202 19R-HG3 G 0.754 ambi=2 { CG:26.799 } atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } ::sumAvg: 4.54 atom: 203 19R-QD D 2.809 ambi=2 { CD:43.32 } atom: 219 20F-QE E 7.249 ambi=3 { CE1:131.108 } ::sumAvg: 4.7 atom: 214 20F-HA A 4.378 ambi=1 { CA:58.661 } atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } ::sumAvg: 2.41 atom: 214 20F-HA A 4.378 ambi=1 { CA:58.661 } atom: 219 20F-QE E 7.249 ambi=3 { CE1:131.108 } ::sumAvg: 4.385 atom: 214 20F-HA A 4.378 ambi=1 { CA:58.661 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } ::sumAvg: 4.37 atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 214 20F-HA A 4.378 ambi=1 { CA:58.661 } ::sumAvg: 4.37 atom: 214 20F-HA A 4.378 ambi=1 { CA:58.661 } atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } ::sumAvg: 4.11 atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } atom: 214 20F-HA A 4.378 ambi=1 { CA:58.661 } ::sumAvg: 4.11 atom: 214 20F-HA A 4.378 ambi=1 { CA:58.661 } atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } :: atom: 214 20F-HA A 4.378 ambi=1 { CA:58.661 } atom: 234 21E-HG3 G 2.004 ambi=2 { CG:36.351 } ::sumAvg: 4.88 atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } atom: 214 20F-HA A 4.378 ambi=1 { CA:58.661 } :: atom: 234 21E-HG3 G 2.004 ambi=2 { CG:36.351 } atom: 214 20F-HA A 4.378 ambi=1 { CA:58.661 } ::sumAvg: 4.88 atom: 214 20F-HA A 4.378 ambi=1 { CA:58.661 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } ::sumAvg: 4.585 atom: 215 20F-HB2 B 3.388 ambi=1 { CB:39.39 } atom: 219 20F-QE E 7.249 ambi=3 { CE1:131.108 } :: atom: 216 20F-HB3 B 2.66 ambi=1 { CB:39.39 } atom: 219 20F-QE E 7.249 ambi=3 { CE1:131.108 } ::sumAvg: 4.405 atom: 215 20F-HB2 B 3.388 ambi=1 { CB:39.39 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } :: atom: 216 20F-HB3 B 2.66 ambi=1 { CB:39.39 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } ::sumAvg: 4.51 atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 215 20F-HB2 B 3.388 ambi=1 { CB:39.39 } :: atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 216 20F-HB3 B 2.66 ambi=1 { CB:39.39 } ::sumAvg: 4.51 atom: 216 20F-HB3 B 2.66 ambi=1 { CB:39.39 } atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } ::sumAvg: 4.88 atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } atom: 216 20F-HB3 B 2.66 ambi=1 { CB:39.39 } ::sumAvg: 4.88 atom: 216 20F-HB3 B 2.66 ambi=1 { CB:39.39 } atom: 393 36F-HB3 B 3.477 ambi=1 { CB:40.699 } ::sumAvg: 4.115 atom: 393 36F-HB3 B 3.477 ambi=1 { CB:40.699 } atom: 216 20F-HB3 B 2.66 ambi=1 { CB:39.39 } ::sumAvg: 4.115 atom: 393 36F-HB3 B 3.477 ambi=1 { CB:40.699 } atom: 217 20F-QD D 6.95 ambi=3 { CD1:130.85 } ::sumAvg: 4.845 atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } atom: 229 21E-H N 8.447 ambi=1 { N:118.146 } :: atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } atom: 229 21E-H N 8.447 ambi=1 { N:118.146 } ::sumAvg: 4.945 atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } :: atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } ::sumAvg: 4.32 atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } :: atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } ::sumAvg: 4.32 atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } ::sumAvg: 4.56 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } :: atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } ::sumAvg: 4.56 atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } ::sumAvg: 4.765 atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } ::sumAvg: 3.49 atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } :: atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } ::sumAvg: 4.41 atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 230 21E-HA A 5.803 ambi=1 { CA:53.843 } ::sumAvg: 4.41 atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } ::sumAvg: 2.275 atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } ::sumAvg: 2.275 atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } ::sumAvg: 3.175 atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } :: atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } ::sumAvg: 4.21 atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } ::sumAvg: 4.85 atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } :: atom: 231 21E-QB B 1.859 ambi=2 { CB:32.382 } atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } ::sumAvg: 3.405 atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 233 21E-HG2 G 2.285 ambi=2 { CG:36.351 } :: atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 234 21E-HG3 G 2.004 ambi=2 { CG:36.351 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 234 21E-HG3 G 2.004 ambi=2 { CG:36.351 } ::sumAvg: 2.9 atom: 247 23L-HA A 5.035 ambi=1 { CA:52.941 } atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } ::sumAvg: 4.79 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } :: atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } ::sumAvg: 3.195 atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 240 22G-H N 8.837 ambi=1 { N:108.959 } ::sumAvg: 4.71 atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } atom: 247 23L-HA A 5.035 ambi=1 { CA:52.941 } :: atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } atom: 247 23L-HA A 5.035 ambi=1 { CA:52.941 } ::sumAvg: 4.335 atom: 247 23L-HA A 5.035 ambi=1 { CA:52.941 } atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } :: atom: 247 23L-HA A 5.035 ambi=1 { CA:52.941 } atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } ::sumAvg: 4.335 atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } atom: 248 23L-HB2 B 1.499 ambi=2 { CB:45.451 } :: atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } atom: 249 23L-HB3 B 1.396 ambi=2 { CB:45.451 } :: atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } atom: 248 23L-HB2 B 1.499 ambi=2 { CB:45.451 } :: atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } atom: 249 23L-HB3 B 1.396 ambi=2 { CB:45.451 } ::sumAvg: 4.405 atom: 248 23L-HB2 B 1.499 ambi=2 { CB:45.451 } atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } :: atom: 249 23L-HB3 B 1.396 ambi=2 { CB:45.451 } atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } :: atom: 248 23L-HB2 B 1.499 ambi=2 { CB:45.451 } atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } :: atom: 249 23L-HB3 B 1.396 ambi=2 { CB:45.451 } atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } ::sumAvg: 4.405 atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } atom: 251 23L-QD D 0.789 ambi=2 { QCD:24.515 } :: atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } atom: 251 23L-QD D 0.789 ambi=2 { QCD:24.515 } ::sumAvg: 4.475 atom: 251 23L-QD D 0.789 ambi=2 { QCD:24.515 } atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } :: atom: 251 23L-QD D 0.789 ambi=2 { QCD:24.515 } atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } ::sumAvg: 4.475 atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } :: atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } ::sumAvg: 4.835 atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } :: atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } ::sumAvg: 4.835 atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } :: atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } ::sumAvg: 4.725 atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } :: atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } ::sumAvg: 4.725 atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } :: atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } ::sumAvg: 4.41 atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } :: atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } ::sumAvg: 4.925 atom: 391 36F-HA A 5.149 ambi=1 { CA:56.443 } atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } :: atom: 391 36F-HA A 5.149 ambi=1 { CA:56.443 } atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } ::sumAvg: 3.135 atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } :: atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } ::sumAvg: 3.34 atom: 241 22G-HA2 A 4.602 ambi=2 { CA:45.091 } atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } :: atom: 242 22G-HA3 A 3.404 ambi=2 { CA:45.091 } atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } ::sumAvg: 4.395 atom: 250 23L-HG G 1.42 ambi=1 { CG:27.138 } atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } ::sumAvg: 3.56 atom: 251 23L-QD D 0.789 ambi=2 { QCD:24.515 } atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } ::sumAvg: 3.61 atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } ::sumAvg: 4.32 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } :: atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } ::sumAvg: 2.915 atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } ::sumAvg: 4.74 atom: 378 35L-HB2 B 1.078 ambi=1 { CB:45.035 } atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } :: atom: 379 35L-HB3 B 1.836 ambi=1 { CB:45.035 } atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } ::sumAvg: 3.52 atom: 380 35L-HG G 1.239 ambi=1 { CG:27.153 } atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } ::sumAvg: 4.545 atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } :: atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } ::sumAvg: 4.715 atom: 391 36F-HA A 5.149 ambi=1 { CA:56.443 } atom: 246 23L-H N 7.98 ambi=1 { N:119.401 } ::sumAvg: 3.845 atom: 247 23L-HA A 5.035 ambi=1 { CA:52.941 } atom: 261 24V-HA A 3.823 ambi=1 { CA:63.893 } ::sumAvg: 4.37 atom: 261 24V-HA A 3.823 ambi=1 { CA:63.893 } atom: 247 23L-HA A 5.035 ambi=1 { CA:52.941 } ::sumAvg: 4.37 atom: 247 23L-HA A 5.035 ambi=1 { CA:52.941 } atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } ::sumAvg: 4.61 atom: 247 23L-HA A 5.035 ambi=1 { CA:52.941 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 247 23L-HA A 5.035 ambi=1 { CA:52.941 } atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } ::sumAvg: 3.855 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 247 23L-HA A 5.035 ambi=1 { CA:52.941 } :: atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } atom: 247 23L-HA A 5.035 ambi=1 { CA:52.941 } ::sumAvg: 3.855 atom: 247 23L-HA A 5.035 ambi=1 { CA:52.941 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } ::sumAvg: 4.72 atom: 248 23L-HB2 B 1.499 ambi=2 { CB:45.451 } atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } :: atom: 249 23L-HB3 B 1.396 ambi=2 { CB:45.451 } atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } ::sumAvg: 3.555 atom: 248 23L-HB2 B 1.499 ambi=2 { CB:45.451 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 248 23L-HB2 B 1.499 ambi=2 { CB:45.451 } atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } :: atom: 249 23L-HB3 B 1.396 ambi=2 { CB:45.451 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 249 23L-HB3 B 1.396 ambi=2 { CB:45.451 } atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } ::sumAvg: 4.68 atom: 248 23L-HB2 B 1.499 ambi=2 { CB:45.451 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } :: atom: 249 23L-HB3 B 1.396 ambi=2 { CB:45.451 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } ::sumAvg: 3.94 atom: 378 35L-HB2 B 1.078 ambi=1 { CB:45.035 } atom: 248 23L-HB2 B 1.499 ambi=2 { CB:45.451 } :: atom: 379 35L-HB3 B 1.836 ambi=1 { CB:45.035 } atom: 249 23L-HB3 B 1.396 ambi=2 { CB:45.451 } ::sumAvg: 3.08 atom: 250 23L-HG G 1.42 ambi=1 { CG:27.138 } atom: 251 23L-QD D 0.789 ambi=2 { QCD:24.515 } ::sumAvg: 1.91 atom: 250 23L-HG G 1.42 ambi=1 { CG:27.138 } atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } ::sumAvg: 4.01 atom: 250 23L-HG G 1.42 ambi=1 { CG:27.138 } atom: 277 25Q-HE21 E2 6.586 ambi=2 { NE2:112.986 } :: atom: 250 23L-HG G 1.42 ambi=1 { CG:27.138 } atom: 278 25Q-HE22 E2 7.092 ambi=2 { NE2:112.986 } ::sumAvg: 4.69 atom: 250 23L-HG G 1.42 ambi=1 { CG:27.138 } atom: 379 35L-HB3 B 1.836 ambi=1 { CB:45.035 } ::sumAvg: 4.565 atom: 379 35L-HB3 B 1.836 ambi=1 { CB:45.035 } atom: 250 23L-HG G 1.42 ambi=1 { CG:27.138 } ::sumAvg: 4.565 atom: 251 23L-QD D 0.789 ambi=2 { QCD:24.515 } atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } ::sumAvg: 4.9 atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } atom: 251 23L-QD D 0.789 ambi=2 { QCD:24.515 } ::sumAvg: 4.9 atom: 275 25Q-QG G 2.221 ambi=2 { CG:34.42 } atom: 251 23L-QD D 0.789 ambi=2 { QCD:24.515 } ::sumAvg: 4.935 atom: 251 23L-QD D 0.789 ambi=2 { QCD:24.515 } atom: 277 25Q-HE21 E2 6.586 ambi=2 { NE2:112.986 } :: atom: 251 23L-QD D 0.789 ambi=2 { QCD:24.515 } atom: 278 25Q-HE22 E2 7.092 ambi=2 { NE2:112.986 } ::sumAvg: 3.72 atom: 251 23L-QD D 0.789 ambi=2 { QCD:24.515 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } ::sumAvg: 4.8 atom: 251 23L-QD D 0.789 ambi=2 { QCD:24.515 } atom: 379 35L-HB3 B 1.836 ambi=1 { CB:45.035 } ::sumAvg: 3.96 atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } ::sumAvg: 4.5 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } :: atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } atom: 260 24V-H N 9.15 ambi=1 { N:125.985 } ::sumAvg: 4.055 atom: 261 24V-HA A 3.823 ambi=1 { CA:63.893 } atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } ::sumAvg: 4.37 atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } atom: 261 24V-HA A 3.823 ambi=1 { CA:63.893 } ::sumAvg: 4.37 atom: 273 25Q-HB2 B 2.183 ambi=2 { CB:30.662 } atom: 261 24V-HA A 3.823 ambi=1 { CA:63.893 } :: atom: 274 25Q-HB3 B 1.705 ambi=2 { CB:30.662 } atom: 261 24V-HA A 3.823 ambi=1 { CA:63.893 } ::sumAvg: 4.555 atom: 275 25Q-QG G 2.221 ambi=2 { CG:34.42 } atom: 261 24V-HA A 3.823 ambi=1 { CA:63.893 } ::sumAvg: 4.905 atom: 261 24V-HA A 3.823 ambi=1 { CA:63.893 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 3.955 atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 261 24V-HA A 3.823 ambi=1 { CA:63.893 } ::sumAvg: 3.955 atom: 261 24V-HA A 3.823 ambi=1 { CA:63.893 } atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } ::sumAvg: 4.65 atom: 261 24V-HA A 3.823 ambi=1 { CA:63.893 } atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } ::sumAvg: 4.51 atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } atom: 261 24V-HA A 3.823 ambi=1 { CA:63.893 } ::sumAvg: 4.51 atom: 261 24V-HA A 3.823 ambi=1 { CA:63.893 } atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } ::sumAvg: 4.78 atom: 493 44L-HD1 D1 0.633 ambi=2 { CD1:24.083 } atom: 261 24V-HA A 3.823 ambi=1 { CA:63.893 } :: atom: 494 44L-HD2 D2 0.727 ambi=2 { CD2:25.388 } atom: 261 24V-HA A 3.823 ambi=1 { CA:63.893 } ::sumAvg: 4.985 atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } ::sumAvg: 4.305 atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } :: atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } ::sumAvg: 3.955 atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } :: atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } ::sumAvg: 3.955 atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 4.395 atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } ::sumAvg: 4.395 atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } ::sumAvg: 4.675 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } :: atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } atom: 262 24V-HB B 2.196 ambi=1 { CB:31.331 } ::sumAvg: 4.675 atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } :: atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } ::sumAvg: 3.95 atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 3.95 atom: 273 25Q-HB2 B 2.183 ambi=2 { CB:30.662 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 274 25Q-HB3 B 1.705 ambi=2 { CB:30.662 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 273 25Q-HB2 B 2.183 ambi=2 { CB:30.662 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } :: atom: 274 25Q-HB3 B 1.705 ambi=2 { CB:30.662 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 4.335 atom: 275 25Q-QG G 2.221 ambi=2 { CG:34.42 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 275 25Q-QG G 2.221 ambi=2 { CG:34.42 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 4.89 atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 3.28 atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } :: atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } ::sumAvg: 4.275 atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 4.275 atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } :: atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } ::sumAvg: 3.675 atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } :: atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } ::sumAvg: 3.53 atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 3.53 atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } atom: 303 27V-HB B 1.926 ambi=1 { CB:34.529 } :: atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } atom: 303 27V-HB B 1.926 ambi=1 { CB:34.529 } ::sumAvg: 4.215 atom: 303 27V-HB B 1.926 ambi=1 { CB:34.529 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 303 27V-HB B 1.926 ambi=1 { CB:34.529 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 4.215 atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 3.595 atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 4.9 atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } :: atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } ::sumAvg: 3.95 atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 3.95 atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 3.48 atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } :: atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } ::sumAvg: 4.85 atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } atom: 263 24V-HG1 G1 0.536 ambi=2 { CG1:22.781 } :: atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 4.85 atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 2.975 atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 264 24V-HG2 G2 0.789 ambi=2 { CG2:24.48 } ::sumAvg: 2.975 atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } ::sumAvg: 4.885 atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } ::sumAvg: 4.855 atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } ::sumAvg: 4.705 atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } ::sumAvg: 4.905 atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } ::sumAvg: 3.245 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } :: atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } ::sumAvg: 4.32 atom: 378 35L-HB2 B 1.078 ambi=1 { CB:45.035 } atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } :: atom: 379 35L-HB3 B 1.836 ambi=1 { CB:45.035 } atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } ::sumAvg: 4.65 atom: 493 44L-HD1 D1 0.633 ambi=2 { CD1:24.083 } atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } :: atom: 494 44L-HD2 D2 0.727 ambi=2 { CD2:25.388 } atom: 271 25Q-H N 9.648 ambi=1 { N:128.129 } ::sumAvg: 3.825 atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } atom: 277 25Q-HE21 E2 6.586 ambi=2 { NE2:112.986 } :: atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } atom: 278 25Q-HE22 E2 7.092 ambi=2 { NE2:112.986 } ::sumAvg: 3.7 atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } ::sumAvg: 3.495 atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } ::sumAvg: 4.82 atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } ::sumAvg: 4.82 atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } ::sumAvg: 4.9 atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } ::sumAvg: 4.9 atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } atom: 493 44L-HD1 D1 0.633 ambi=2 { CD1:24.083 } :: atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } atom: 494 44L-HD2 D2 0.727 ambi=2 { CD2:25.388 } ::sumAvg: 4.81 atom: 493 44L-HD1 D1 0.633 ambi=2 { CD1:24.083 } atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } :: atom: 494 44L-HD2 D2 0.727 ambi=2 { CD2:25.388 } atom: 272 25Q-HA A 4.417 ambi=1 { CA:56.015 } ::sumAvg: 4.81 atom: 273 25Q-HB2 B 2.183 ambi=2 { CB:30.662 } atom: 277 25Q-HE21 E2 6.586 ambi=2 { NE2:112.986 } :: atom: 273 25Q-HB2 B 2.183 ambi=2 { CB:30.662 } atom: 278 25Q-HE22 E2 7.092 ambi=2 { NE2:112.986 } :: atom: 274 25Q-HB3 B 1.705 ambi=2 { CB:30.662 } atom: 277 25Q-HE21 E2 6.586 ambi=2 { NE2:112.986 } :: atom: 274 25Q-HB3 B 1.705 ambi=2 { CB:30.662 } atom: 278 25Q-HE22 E2 7.092 ambi=2 { NE2:112.986 } ::sumAvg: 4.43 atom: 273 25Q-HB2 B 2.183 ambi=2 { CB:30.662 } atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } :: atom: 274 25Q-HB3 B 1.705 ambi=2 { CB:30.662 } atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } ::sumAvg: 4.78 atom: 273 25Q-HB2 B 2.183 ambi=2 { CB:30.662 } atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } ::sumAvg: 3.77 atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } atom: 273 25Q-HB2 B 2.183 ambi=2 { CB:30.662 } ::sumAvg: 3.77 atom: 273 25Q-HB2 B 2.183 ambi=2 { CB:30.662 } atom: 289 26R-HG2 G 1.537 ambi=2 { CG:27.098 } :: atom: 273 25Q-HB2 B 2.183 ambi=2 { CB:30.662 } atom: 290 26R-HG3 G 1.445 ambi=2 { CG:27.098 } ::sumAvg: 4.54 atom: 289 26R-HG2 G 1.537 ambi=2 { CG:27.098 } atom: 273 25Q-HB2 B 2.183 ambi=2 { CB:30.662 } :: atom: 290 26R-HG3 G 1.445 ambi=2 { CG:27.098 } atom: 273 25Q-HB2 B 2.183 ambi=2 { CB:30.662 } ::sumAvg: 4.54 atom: 273 25Q-HB2 B 2.183 ambi=2 { CB:30.662 } atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } :: atom: 274 25Q-HB3 B 1.705 ambi=2 { CB:30.662 } atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } ::sumAvg: 4.56 atom: 273 25Q-HB2 B 2.183 ambi=2 { CB:30.662 } atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } :: atom: 274 25Q-HB3 B 1.705 ambi=2 { CB:30.662 } atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } ::sumAvg: 4.88 atom: 273 25Q-HB2 B 2.183 ambi=2 { CB:30.662 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } :: atom: 274 25Q-HB3 B 1.705 ambi=2 { CB:30.662 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } ::sumAvg: 4.44 atom: 273 25Q-HB2 B 2.183 ambi=2 { CB:30.662 } atom: 378 35L-HB2 B 1.078 ambi=1 { CB:45.035 } :: atom: 274 25Q-HB3 B 1.705 ambi=2 { CB:30.662 } atom: 378 35L-HB2 B 1.078 ambi=1 { CB:45.035 } ::sumAvg: 3.96 atom: 273 25Q-HB2 B 2.183 ambi=2 { CB:30.662 } atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } :: atom: 273 25Q-HB2 B 2.183 ambi=2 { CB:30.662 } atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } :: atom: 274 25Q-HB3 B 1.705 ambi=2 { CB:30.662 } atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } :: atom: 274 25Q-HB3 B 1.705 ambi=2 { CB:30.662 } atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } ::sumAvg: 4.59 atom: 275 25Q-QG G 2.221 ambi=2 { CG:34.42 } atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } ::sumAvg: 3.825 atom: 275 25Q-QG G 2.221 ambi=2 { CG:34.42 } atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } ::sumAvg: 4.04 atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } atom: 275 25Q-QG G 2.221 ambi=2 { CG:34.42 } ::sumAvg: 4.04 atom: 275 25Q-QG G 2.221 ambi=2 { CG:34.42 } atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } :: atom: 275 25Q-QG G 2.221 ambi=2 { CG:34.42 } atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } ::sumAvg: 3.775 atom: 490 44L-HB2 B 1.659 ambi=1 { CB:43.359 } atom: 275 25Q-QG G 2.221 ambi=2 { CG:34.42 } ::sumAvg: 4.81 atom: 275 25Q-QG G 2.221 ambi=2 { CG:34.42 } atom: 492 44L-HG G 1.282 ambi=1 { CG:26.697 } ::sumAvg: 4.48 atom: 378 35L-HB2 B 1.078 ambi=1 { CB:45.035 } atom: 277 25Q-HE21 E2 6.586 ambi=2 { NE2:112.986 } :: atom: 379 35L-HB3 B 1.836 ambi=1 { CB:45.035 } atom: 277 25Q-HE21 E2 6.586 ambi=2 { NE2:112.986 } :: atom: 378 35L-HB2 B 1.078 ambi=1 { CB:45.035 } atom: 278 25Q-HE22 E2 7.092 ambi=2 { NE2:112.986 } :: atom: 379 35L-HB3 B 1.836 ambi=1 { CB:45.035 } atom: 278 25Q-HE22 E2 7.092 ambi=2 { NE2:112.986 } ::sumAvg: 4.47 atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } atom: 277 25Q-HE21 E2 6.586 ambi=2 { NE2:112.986 } :: atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } atom: 277 25Q-HE21 E2 6.586 ambi=2 { NE2:112.986 } :: atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } atom: 278 25Q-HE22 E2 7.092 ambi=2 { NE2:112.986 } :: atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } atom: 278 25Q-HE22 E2 7.092 ambi=2 { NE2:112.986 } ::sumAvg: 3.945 atom: 493 44L-HD1 D1 0.633 ambi=2 { CD1:24.083 } atom: 277 25Q-HE21 E2 6.586 ambi=2 { NE2:112.986 } :: atom: 494 44L-HD2 D2 0.727 ambi=2 { CD2:25.388 } atom: 277 25Q-HE21 E2 6.586 ambi=2 { NE2:112.986 } :: atom: 493 44L-HD1 D1 0.633 ambi=2 { CD1:24.083 } atom: 278 25Q-HE22 E2 7.092 ambi=2 { NE2:112.986 } :: atom: 494 44L-HD2 D2 0.727 ambi=2 { CD2:25.388 } atom: 278 25Q-HE22 E2 7.092 ambi=2 { NE2:112.986 } ::sumAvg: 4.725 atom: 291 26R-QD D 3.13 ambi=2 { CD:42.927 } atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } ::sumAvg: 4.715 atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } ::sumAvg: 4.615 atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } :: atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } ::sumAvg: 4.155 atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } ::sumAvg: 4.595 atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } ::sumAvg: 4.26 atom: 493 44L-HD1 D1 0.633 ambi=2 { CD1:24.083 } atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } :: atom: 494 44L-HD2 D2 0.727 ambi=2 { CD2:25.388 } atom: 285 26R-H N 7.284 ambi=1 { N:115.15 } ::sumAvg: 4.67 atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } atom: 291 26R-QD D 3.13 ambi=2 { CD:42.927 } ::sumAvg: 3.305 atom: 291 26R-QD D 3.13 ambi=2 { CD:42.927 } atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } ::sumAvg: 3.305 atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } atom: 293 26R-HE E 7.203 ambi=1 { NE:84.113 } ::sumAvg: 4.725 atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } atom: 303 27V-HB B 1.926 ambi=1 { CB:34.529 } ::sumAvg: 4.55 atom: 303 27V-HB B 1.926 ambi=1 { CB:34.529 } atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } ::sumAvg: 4.55 atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } :: atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } ::sumAvg: 3.51 atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } :: atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } ::sumAvg: 3.51 atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } ::sumAvg: 4.895 atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } ::sumAvg: 4.795 atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } atom: 286 26R-HA A 4.517 ambi=1 { CA:55.19 } ::sumAvg: 4.795 atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } atom: 293 26R-HE E 7.203 ambi=1 { NE:84.113 } ::sumAvg: 3.41 atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } ::sumAvg: 4.395 atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } :: atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } ::sumAvg: 4.67 atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } :: atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } ::sumAvg: 4.67 atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } ::sumAvg: 4.955 atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } atom: 287 26R-QB B 1.756 ambi=2 { CB:33.647 } ::sumAvg: 4.955 atom: 289 26R-HG2 G 1.537 ambi=2 { CG:27.098 } atom: 293 26R-HE E 7.203 ambi=1 { NE:84.113 } :: atom: 290 26R-HG3 G 1.445 ambi=2 { CG:27.098 } atom: 293 26R-HE E 7.203 ambi=1 { NE:84.113 } ::sumAvg: 2.8 atom: 289 26R-HG2 G 1.537 ambi=2 { CG:27.098 } atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } :: atom: 290 26R-HG3 G 1.445 ambi=2 { CG:27.098 } atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } ::sumAvg: 4.65 atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } atom: 289 26R-HG2 G 1.537 ambi=2 { CG:27.098 } :: atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } atom: 290 26R-HG3 G 1.445 ambi=2 { CG:27.098 } ::sumAvg: 4.65 atom: 289 26R-HG2 G 1.537 ambi=2 { CG:27.098 } atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } :: atom: 290 26R-HG3 G 1.445 ambi=2 { CG:27.098 } atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } ::sumAvg: 4.61 atom: 291 26R-QD D 3.13 ambi=2 { CD:42.927 } atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } ::sumAvg: 4.095 atom: 291 26R-QD D 3.13 ambi=2 { CD:42.927 } atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } ::sumAvg: 4.65 atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } atom: 291 26R-QD D 3.13 ambi=2 { CD:42.927 } ::sumAvg: 4.65 atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } atom: 291 26R-QD D 3.13 ambi=2 { CD:42.927 } ::sumAvg: 4.285 atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } ::sumAvg: 2.925 atom: 313 28S-HA A 4.556 ambi=1 { CA:57.78 } atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } ::sumAvg: 4.965 atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } ::sumAvg: 4.745 atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 301 27V-H N 8.856 ambi=1 { N:123.359 } ::sumAvg: 4.74 atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } atom: 303 27V-HB B 1.926 ambi=1 { CB:34.529 } ::sumAvg: 3.035 atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } :: atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } ::sumAvg: 2.355 atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } atom: 312 28S-H N 8.781 ambi=1 { N:119.413 } ::sumAvg: 2.165 atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } ::sumAvg: 4.175 atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } ::sumAvg: 4.76 atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } ::sumAvg: 2.125 atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 2.805 atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } ::sumAvg: 3.45 atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } ::sumAvg: 4.9 atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } atom: 557 49L-HD1 D1 0.865 ambi=2 { CD1:25.355 } :: atom: 302 27V-HA A 4.813 ambi=1 { CA:61.408 } atom: 558 49L-HD2 D2 0.737 ambi=2 { CD2:23.181 } ::sumAvg: 3.875 atom: 303 27V-HB B 1.926 ambi=1 { CB:34.529 } atom: 312 28S-H N 8.781 ambi=1 { N:119.413 } ::sumAvg: 4.235 atom: 303 27V-HB B 1.926 ambi=1 { CB:34.529 } atom: 313 28S-HA A 4.556 ambi=1 { CA:57.78 } ::sumAvg: 4.9 atom: 313 28S-HA A 4.556 ambi=1 { CA:57.78 } atom: 303 27V-HB B 1.926 ambi=1 { CB:34.529 } ::sumAvg: 4.9 atom: 303 27V-HB B 1.926 ambi=1 { CB:34.529 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 4.415 atom: 557 49L-HD1 D1 0.865 ambi=2 { CD1:25.355 } atom: 303 27V-HB B 1.926 ambi=1 { CB:34.529 } :: atom: 558 49L-HD2 D2 0.737 ambi=2 { CD2:23.181 } atom: 303 27V-HB B 1.926 ambi=1 { CB:34.529 } ::sumAvg: 4.495 atom: 313 28S-HA A 4.556 ambi=1 { CA:57.78 } atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } :: atom: 313 28S-HA A 4.556 ambi=1 { CA:57.78 } atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } ::sumAvg: 3.595 atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } :: atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } ::sumAvg: 4.32 atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } atom: 320 29D-H N 9.233 ambi=1 { N:125.003 } :: atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } atom: 320 29D-H N 9.233 ambi=1 { N:125.003 } ::sumAvg: 3.405 atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } atom: 329 30G-HA2 A 3.673 ambi=1 { CA:45.868 } :: atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } atom: 329 30G-HA2 A 3.673 ambi=1 { CA:45.868 } ::sumAvg: 4.705 atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } :: atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } ::sumAvg: 3.92 atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } :: atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } ::sumAvg: 4.74 atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } :: atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } ::sumAvg: 4.74 atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } :: atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } ::sumAvg: 4.755 atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } :: atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } ::sumAvg: 3.255 atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } :: atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } ::sumAvg: 4.155 atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } atom: 555 49L-HB3 B 1.472 ambi=1 { CB:40.688 } :: atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } atom: 555 49L-HB3 B 1.472 ambi=1 { CB:40.688 } ::sumAvg: 4.92 atom: 555 49L-HB3 B 1.472 ambi=1 { CB:40.688 } atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } :: atom: 555 49L-HB3 B 1.472 ambi=1 { CB:40.688 } atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } ::sumAvg: 4.92 atom: 304 27V-HG1 G1 0.882 ambi=2 { CG1:20.998 } atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } :: atom: 305 27V-HG2 G2 0.693 ambi=2 { CG2:21.306 } atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } ::sumAvg: 3.475 atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } atom: 312 28S-H N 8.781 ambi=1 { N:119.413 } ::sumAvg: 4.815 atom: 336 31K-HB2 B 1.757 ambi=1 { CB:36.337 } atom: 312 28S-H N 8.781 ambi=1 { N:119.413 } :: atom: 337 31K-HB3 B 1.569 ambi=1 { CB:36.337 } atom: 312 28S-H N 8.781 ambi=1 { N:119.413 } ::sumAvg: 3.86 atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } atom: 312 28S-H N 8.781 ambi=1 { N:119.413 } ::sumAvg: 2.835 atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 312 28S-H N 8.781 ambi=1 { N:119.413 } ::sumAvg: 3.82 atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } atom: 312 28S-H N 8.781 ambi=1 { N:119.413 } ::sumAvg: 4.775 atom: 557 49L-HD1 D1 0.865 ambi=2 { CD1:25.355 } atom: 312 28S-H N 8.781 ambi=1 { N:119.413 } :: atom: 558 49L-HD2 D2 0.737 ambi=2 { CD2:23.181 } atom: 312 28S-H N 8.781 ambi=1 { N:119.413 } ::sumAvg: 4.39 atom: 313 28S-HA A 4.556 ambi=1 { CA:57.78 } atom: 322 29D-HB2 B 2.903 ambi=2 { CB:39.851 } :: atom: 313 28S-HA A 4.556 ambi=1 { CA:57.78 } atom: 323 29D-HB3 B 2.538 ambi=2 { CB:39.851 } ::sumAvg: 4.61 atom: 322 29D-HB2 B 2.903 ambi=2 { CB:39.851 } atom: 313 28S-HA A 4.556 ambi=1 { CA:57.78 } :: atom: 323 29D-HB3 B 2.538 ambi=2 { CB:39.851 } atom: 313 28S-HA A 4.556 ambi=1 { CA:57.78 } ::sumAvg: 4.61 atom: 313 28S-HA A 4.556 ambi=1 { CA:57.78 } atom: 328 30G-H N 8.834 ambi=1 { N:104.177 } ::sumAvg: 4.535 atom: 313 28S-HA A 4.556 ambi=1 { CA:57.78 } atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } ::sumAvg: 4.575 atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } atom: 322 29D-HB2 B 2.903 ambi=2 { CB:39.851 } :: atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } atom: 323 29D-HB3 B 2.538 ambi=2 { CB:39.851 } ::sumAvg: 4.52 atom: 322 29D-HB2 B 2.903 ambi=2 { CB:39.851 } atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } :: atom: 323 29D-HB3 B 2.538 ambi=2 { CB:39.851 } atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } ::sumAvg: 4.52 atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } atom: 328 30G-H N 8.834 ambi=1 { N:104.177 } ::sumAvg: 4.48 atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } ::sumAvg: 3.7 atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } atom: 336 31K-HB2 B 1.757 ambi=1 { CB:36.337 } :: atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } atom: 337 31K-HB3 B 1.569 ambi=1 { CB:36.337 } ::sumAvg: 3.345 atom: 336 31K-HB2 B 1.757 ambi=1 { CB:36.337 } atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } :: atom: 337 31K-HB3 B 1.569 ambi=1 { CB:36.337 } atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } ::sumAvg: 3.345 atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } atom: 340 31K-HD2 D 1.483 ambi=2 { CD:28.92 } :: atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } atom: 341 31K-HD3 D 1.58 ambi=2 { CD:28.92 } ::sumAvg: 4.82 atom: 340 31K-HD2 D 1.483 ambi=2 { CD:28.92 } atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } :: atom: 341 31K-HD3 D 1.58 ambi=2 { CD:28.92 } atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } ::sumAvg: 4.82 atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } ::sumAvg: 4.35 atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } ::sumAvg: 4.35 atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } ::sumAvg: 4.865 atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } ::sumAvg: 4.865 atom: 314 28S-QB B 3.754 ambi=2 { CB:63.991 } atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } ::sumAvg: 4.435 atom: 322 29D-HB2 B 2.903 ambi=2 { CB:39.851 } atom: 320 29D-H N 9.233 ambi=1 { N:125.003 } :: atom: 323 29D-HB3 B 2.538 ambi=2 { CB:39.851 } atom: 320 29D-H N 9.233 ambi=1 { N:125.003 } ::sumAvg: 3.085 atom: 321 29D-HA A 4.327 ambi=1 { CA:55.165 } atom: 329 30G-HA2 A 3.673 ambi=1 { CA:45.868 } ::sumAvg: 4.5 atom: 329 30G-HA2 A 3.673 ambi=1 { CA:45.868 } atom: 321 29D-HA A 4.327 ambi=1 { CA:55.165 } ::sumAvg: 4.5 atom: 321 29D-HA A 4.327 ambi=1 { CA:55.165 } atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } ::sumAvg: 4.245 atom: 557 49L-HD1 D1 0.865 ambi=2 { CD1:25.355 } atom: 321 29D-HA A 4.327 ambi=1 { CA:55.165 } :: atom: 558 49L-HD2 D2 0.737 ambi=2 { CD2:23.181 } atom: 321 29D-HA A 4.327 ambi=1 { CA:55.165 } ::sumAvg: 4.72 atom: 322 29D-HB2 B 2.903 ambi=2 { CB:39.851 } atom: 328 30G-H N 8.834 ambi=1 { N:104.177 } :: atom: 323 29D-HB3 B 2.538 ambi=2 { CB:39.851 } atom: 328 30G-H N 8.834 ambi=1 { N:104.177 } ::sumAvg: 3.05 atom: 322 29D-HB2 B 2.903 ambi=2 { CB:39.851 } atom: 329 30G-HA2 A 3.673 ambi=1 { CA:45.868 } :: atom: 322 29D-HB2 B 2.903 ambi=2 { CB:39.851 } atom: 330 30G-HA3 A 4.161 ambi=1 { CA:45.868 } :: atom: 323 29D-HB3 B 2.538 ambi=2 { CB:39.851 } atom: 329 30G-HA2 A 3.673 ambi=1 { CA:45.868 } :: atom: 323 29D-HB3 B 2.538 ambi=2 { CB:39.851 } atom: 330 30G-HA3 A 4.161 ambi=1 { CA:45.868 } ::sumAvg: 4.32 atom: 329 30G-HA2 A 3.673 ambi=1 { CA:45.868 } atom: 322 29D-HB2 B 2.903 ambi=2 { CB:39.851 } :: atom: 330 30G-HA3 A 4.161 ambi=1 { CA:45.868 } atom: 322 29D-HB2 B 2.903 ambi=2 { CB:39.851 } :: atom: 329 30G-HA2 A 3.673 ambi=1 { CA:45.868 } atom: 323 29D-HB3 B 2.538 ambi=2 { CB:39.851 } :: atom: 330 30G-HA3 A 4.161 ambi=1 { CA:45.868 } atom: 323 29D-HB3 B 2.538 ambi=2 { CB:39.851 } ::sumAvg: 4.32 atom: 322 29D-HB2 B 2.903 ambi=2 { CB:39.851 } atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } :: atom: 323 29D-HB3 B 2.538 ambi=2 { CB:39.851 } atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } ::sumAvg: 4.085 atom: 322 29D-HB2 B 2.903 ambi=2 { CB:39.851 } atom: 336 31K-HB2 B 1.757 ambi=1 { CB:36.337 } :: atom: 323 29D-HB3 B 2.538 ambi=2 { CB:39.851 } atom: 336 31K-HB2 B 1.757 ambi=1 { CB:36.337 } ::sumAvg: 4.915 atom: 336 31K-HB2 B 1.757 ambi=1 { CB:36.337 } atom: 322 29D-HB2 B 2.903 ambi=2 { CB:39.851 } :: atom: 336 31K-HB2 B 1.757 ambi=1 { CB:36.337 } atom: 323 29D-HB3 B 2.538 ambi=2 { CB:39.851 } ::sumAvg: 4.915 atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } atom: 328 30G-H N 8.834 ambi=1 { N:104.177 } ::sumAvg: 4.855 atom: 336 31K-HB2 B 1.757 ambi=1 { CB:36.337 } atom: 328 30G-H N 8.834 ambi=1 { N:104.177 } ::sumAvg: 4.52 atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } atom: 328 30G-H N 8.834 ambi=1 { N:104.177 } :: atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } atom: 328 30G-H N 8.834 ambi=1 { N:104.177 } ::sumAvg: 4.535 atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } atom: 328 30G-H N 8.834 ambi=1 { N:104.177 } ::sumAvg: 4.21 atom: 557 49L-HD1 D1 0.865 ambi=2 { CD1:25.355 } atom: 328 30G-H N 8.834 ambi=1 { N:104.177 } :: atom: 558 49L-HD2 D2 0.737 ambi=2 { CD2:23.181 } atom: 328 30G-H N 8.834 ambi=1 { N:104.177 } ::sumAvg: 3.175 atom: 329 30G-HA2 A 3.673 ambi=1 { CA:45.868 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } :: atom: 330 30G-HA3 A 4.161 ambi=1 { CA:45.868 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } ::sumAvg: 4.505 atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } atom: 329 30G-HA2 A 3.673 ambi=1 { CA:45.868 } :: atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } atom: 330 30G-HA3 A 4.161 ambi=1 { CA:45.868 } ::sumAvg: 4.505 atom: 329 30G-HA2 A 3.673 ambi=1 { CA:45.868 } atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } :: atom: 329 30G-HA2 A 3.673 ambi=1 { CA:45.868 } atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } :: atom: 330 30G-HA3 A 4.161 ambi=1 { CA:45.868 } atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } :: atom: 330 30G-HA3 A 4.161 ambi=1 { CA:45.868 } atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } ::sumAvg: 3.665 atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } atom: 329 30G-HA2 A 3.673 ambi=1 { CA:45.868 } :: atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } atom: 329 30G-HA2 A 3.673 ambi=1 { CA:45.868 } :: atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } atom: 330 30G-HA3 A 4.161 ambi=1 { CA:45.868 } :: atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } atom: 330 30G-HA3 A 4.161 ambi=1 { CA:45.868 } ::sumAvg: 3.665 atom: 329 30G-HA2 A 3.673 ambi=1 { CA:45.868 } atom: 554 49L-HB2 B 1.722 ambi=1 { CB:40.688 } :: atom: 329 30G-HA2 A 3.673 ambi=1 { CA:45.868 } atom: 555 49L-HB3 B 1.472 ambi=1 { CB:40.688 } :: atom: 330 30G-HA3 A 4.161 ambi=1 { CA:45.868 } atom: 554 49L-HB2 B 1.722 ambi=1 { CB:40.688 } ::sumAvg: 3.66 atom: 554 49L-HB2 B 1.722 ambi=1 { CB:40.688 } atom: 329 30G-HA2 A 3.673 ambi=1 { CA:45.868 } :: atom: 555 49L-HB3 B 1.472 ambi=1 { CB:40.688 } atom: 329 30G-HA2 A 3.673 ambi=1 { CA:45.868 } :: atom: 554 49L-HB2 B 1.722 ambi=1 { CB:40.688 } atom: 330 30G-HA3 A 4.161 ambi=1 { CA:45.868 } ::sumAvg: 3.66 atom: 329 30G-HA2 A 3.673 ambi=1 { CA:45.868 } atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } :: atom: 330 30G-HA3 A 4.161 ambi=1 { CA:45.868 } atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } ::sumAvg: 3.565 atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } atom: 329 30G-HA2 A 3.673 ambi=1 { CA:45.868 } :: atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } atom: 330 30G-HA3 A 4.161 ambi=1 { CA:45.868 } ::sumAvg: 3.565 atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } :: atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } ::sumAvg: 3.12 atom: 340 31K-HD2 D 1.483 ambi=2 { CD:28.92 } atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } :: atom: 341 31K-HD3 D 1.58 ambi=2 { CD:28.92 } atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } ::sumAvg: 4.555 atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } ::sumAvg: 4.84 atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } ::sumAvg: 4.84 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 334 31K-H N 8.088 ambi=1 { N:120.994 } ::sumAvg: 4.765 atom: 340 31K-HD2 D 1.483 ambi=2 { CD:28.92 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } :: atom: 341 31K-HD3 D 1.58 ambi=2 { CD:28.92 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } ::sumAvg: 4.33 atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } atom: 342 31K-QE E 2.898 ambi=2 { CE:41.982 } ::sumAvg: 4.575 atom: 342 31K-QE E 2.898 ambi=2 { CE:41.982 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } ::sumAvg: 4.575 atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } ::sumAvg: 3.915 atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } ::sumAvg: 4.03 atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } ::sumAvg: 4.99 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } ::sumAvg: 2.125 atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } atom: 541 48R-HB3 B 2.134 ambi=1 { CB:30.633 } ::sumAvg: 4.2 atom: 541 48R-HB3 B 2.134 ambi=1 { CB:30.633 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } ::sumAvg: 4.2 atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } atom: 542 48R-HG2 G 1.9 ambi=2 { CG:28.169 } :: atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } atom: 543 48R-HG3 G 1.708 ambi=2 { CG:28.169 } ::sumAvg: 3.98 atom: 542 48R-HG2 G 1.9 ambi=2 { CG:28.169 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } :: atom: 543 48R-HG3 G 1.708 ambi=2 { CG:28.169 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } ::sumAvg: 3.98 atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } ::sumAvg: 4.3 atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } ::sumAvg: 4.3 atom: 554 49L-HB2 B 1.722 ambi=1 { CB:40.688 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } ::sumAvg: 4.31 atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } ::sumAvg: 2.695 atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } atom: 557 49L-HD1 D1 0.865 ambi=2 { CD1:25.355 } :: atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } atom: 558 49L-HD2 D2 0.737 ambi=2 { CD2:23.181 } ::sumAvg: 3.735 atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } :: atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 4.47 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 335 31K-HA A 5.148 ambi=1 { CA:54.669 } ::sumAvg: 4.47 atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } atom: 336 31K-HB2 B 1.757 ambi=1 { CB:36.337 } ::sumAvg: 2.465 atom: 336 31K-HB2 B 1.757 ambi=1 { CB:36.337 } atom: 342 31K-QE E 2.898 ambi=2 { CE:41.982 } :: atom: 337 31K-HB3 B 1.569 ambi=1 { CB:36.337 } atom: 342 31K-QE E 2.898 ambi=2 { CE:41.982 } ::sumAvg: 3.97 atom: 336 31K-HB2 B 1.757 ambi=1 { CB:36.337 } atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } :: atom: 337 31K-HB3 B 1.569 ambi=1 { CB:36.337 } atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } ::sumAvg: 4.205 atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } atom: 336 31K-HB2 B 1.757 ambi=1 { CB:36.337 } :: atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } atom: 337 31K-HB3 B 1.569 ambi=1 { CB:36.337 } ::sumAvg: 4.205 atom: 337 31K-HB3 B 1.569 ambi=1 { CB:36.337 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 4.49 atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 337 31K-HB3 B 1.569 ambi=1 { CB:36.337 } ::sumAvg: 4.49 atom: 337 31K-HB3 B 1.569 ambi=1 { CB:36.337 } atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } ::sumAvg: 4.755 atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } atom: 337 31K-HB3 B 1.569 ambi=1 { CB:36.337 } ::sumAvg: 4.755 atom: 337 31K-HB3 B 1.569 ambi=1 { CB:36.337 } atom: 515 46T-HB B 3.789 ambi=1 { CB:69.232 } ::sumAvg: 4.775 atom: 337 31K-HB3 B 1.569 ambi=1 { CB:36.337 } atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } ::sumAvg: 3.97 atom: 337 31K-HB3 B 1.569 ambi=1 { CB:36.337 } atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } ::sumAvg: 4.9 atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 337 31K-HB3 B 1.569 ambi=1 { CB:36.337 } ::sumAvg: 4.9 atom: 336 31K-HB2 B 1.757 ambi=1 { CB:36.337 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } :: atom: 337 31K-HB3 B 1.569 ambi=1 { CB:36.337 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } ::sumAvg: 3.49 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 336 31K-HB2 B 1.757 ambi=1 { CB:36.337 } :: atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 337 31K-HB3 B 1.569 ambi=1 { CB:36.337 } ::sumAvg: 3.49 atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } :: atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } ::sumAvg: 3.955 atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } :: atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } ::sumAvg: 4.86 atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } :: atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } ::sumAvg: 4.86 atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } :: atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } ::sumAvg: 4.125 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } :: atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } ::sumAvg: 2.17 atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } atom: 540 48R-HB2 B 1.83 ambi=1 { CB:30.633 } :: atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } atom: 541 48R-HB3 B 2.134 ambi=1 { CB:30.633 } :: atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } atom: 540 48R-HB2 B 1.83 ambi=1 { CB:30.633 } :: atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } atom: 541 48R-HB3 B 2.134 ambi=1 { CB:30.633 } ::sumAvg: 3.855 atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } atom: 542 48R-HG2 G 1.9 ambi=2 { CG:28.169 } :: atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } atom: 543 48R-HG3 G 1.708 ambi=2 { CG:28.169 } :: atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } atom: 542 48R-HG2 G 1.9 ambi=2 { CG:28.169 } ::sumAvg: 2.21 atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } atom: 544 48R-HD2 D 3.282 ambi=2 { CD:43.327 } :: atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } atom: 545 48R-HD3 D 3.229 ambi=2 { CD:43.327 } :: atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } atom: 544 48R-HD2 D 3.282 ambi=2 { CD:43.327 } :: atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } atom: 545 48R-HD3 D 3.229 ambi=2 { CD:43.327 } ::sumAvg: 4.335 atom: 544 48R-HD2 D 3.282 ambi=2 { CD:43.327 } atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } :: atom: 545 48R-HD3 D 3.229 ambi=2 { CD:43.327 } atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } :: atom: 544 48R-HD2 D 3.282 ambi=2 { CD:43.327 } atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } :: atom: 545 48R-HD3 D 3.229 ambi=2 { CD:43.327 } atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } ::sumAvg: 4.335 atom: 338 31K-HG2 G 1.233 ambi=2 { CG:24.935 } atom: 552 49L-H N 8.069 ambi=1 { N:121.403 } :: atom: 339 31K-HG3 G 1.383 ambi=2 { CG:24.935 } atom: 552 49L-H N 8.069 ambi=1 { N:121.403 } ::sumAvg: 3.98 atom: 340 31K-HD2 D 1.483 ambi=2 { CD:28.92 } atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } :: atom: 341 31K-HD3 D 1.58 ambi=2 { CD:28.92 } atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } ::sumAvg: 4.67 atom: 340 31K-HD2 D 1.483 ambi=2 { CD:28.92 } atom: 515 46T-HB B 3.789 ambi=1 { CB:69.232 } :: atom: 341 31K-HD3 D 1.58 ambi=2 { CD:28.92 } atom: 515 46T-HB B 3.789 ambi=1 { CB:69.232 } ::sumAvg: 4.21 atom: 340 31K-HD2 D 1.483 ambi=2 { CD:28.92 } atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } :: atom: 341 31K-HD3 D 1.58 ambi=2 { CD:28.92 } atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } ::sumAvg: 4.9 atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 340 31K-HD2 D 1.483 ambi=2 { CD:28.92 } :: atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 341 31K-HD3 D 1.58 ambi=2 { CD:28.92 } ::sumAvg: 4.9 atom: 340 31K-HD2 D 1.483 ambi=2 { CD:28.92 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } :: atom: 341 31K-HD3 D 1.58 ambi=2 { CD:28.92 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } ::sumAvg: 4.35 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 340 31K-HD2 D 1.483 ambi=2 { CD:28.92 } :: atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 341 31K-HD3 D 1.58 ambi=2 { CD:28.92 } ::sumAvg: 4.35 atom: 340 31K-HD2 D 1.483 ambi=2 { CD:28.92 } atom: 542 48R-HG2 G 1.9 ambi=2 { CG:28.169 } ::sumAvg: 4.11 atom: 542 48R-HG2 G 1.9 ambi=2 { CG:28.169 } atom: 340 31K-HD2 D 1.483 ambi=2 { CD:28.92 } ::sumAvg: 4.11 atom: 342 31K-QE E 2.898 ambi=2 { CE:41.982 } atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } ::sumAvg: 3.99 atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } atom: 342 31K-QE E 2.898 ambi=2 { CE:41.982 } ::sumAvg: 3.99 atom: 342 31K-QE E 2.898 ambi=2 { CE:41.982 } atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } ::sumAvg: 4.895 atom: 342 31K-QE E 2.898 ambi=2 { CE:41.982 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } ::sumAvg: 4.005 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 342 31K-QE E 2.898 ambi=2 { CE:41.982 } ::sumAvg: 4.005 atom: 342 31K-QE E 2.898 ambi=2 { CE:41.982 } atom: 540 48R-HB2 B 1.83 ambi=1 { CB:30.633 } :: atom: 342 31K-QE E 2.898 ambi=2 { CE:41.982 } atom: 541 48R-HB3 B 2.134 ambi=1 { CB:30.633 } ::sumAvg: 4.705 atom: 540 48R-HB2 B 1.83 ambi=1 { CB:30.633 } atom: 342 31K-QE E 2.898 ambi=2 { CE:41.982 } :: atom: 541 48R-HB3 B 2.134 ambi=1 { CB:30.633 } atom: 342 31K-QE E 2.898 ambi=2 { CE:41.982 } ::sumAvg: 4.705 atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } ::sumAvg: 2.91 atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } ::sumAvg: 4.635 atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } ::sumAvg: 4.31 atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } ::sumAvg: 2.88 atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } ::sumAvg: 4.76 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } ::sumAvg: 3.59 atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } ::sumAvg: 4.75 atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } atom: 351 32A-H N 9.275 ambi=1 { N:120.936 } ::sumAvg: 4.025 atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } ::sumAvg: 4.365 atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } ::sumAvg: 3.99 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } :: atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } ::sumAvg: 4.76 atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } ::sumAvg: 3.765 atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } ::sumAvg: 3.765 atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } ::sumAvg: 4.965 atom: 557 49L-HD1 D1 0.865 ambi=2 { CD1:25.355 } atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } :: atom: 558 49L-HD2 D2 0.737 ambi=2 { CD2:23.181 } atom: 352 32A-HA A 5.308 ambi=1 { CA:49.517 } ::sumAvg: 3.855 atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 4.3 atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } ::sumAvg: 4.655 atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } ::sumAvg: 4.675 atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } ::sumAvg: 2.895 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 2.895 atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } ::sumAvg: 3.94 atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } ::sumAvg: 4.07 atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 4.07 atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } ::sumAvg: 4.73 atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 552 49L-H N 8.069 ambi=1 { N:121.403 } ::sumAvg: 4.825 atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } ::sumAvg: 3.75 atom: 587 52L-HB2 B 1.757 ambi=1 { CB:47.265 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 4.445 atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } ::sumAvg: 4.31 atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } ::sumAvg: 4.31 atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } :: atom: 353 32A-HB B 1.081 ambi=1 { CB:22.338 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 2.05 atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } ::sumAvg: 2.905 atom: 493 44L-HD1 D1 0.633 ambi=2 { CD1:24.083 } atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } :: atom: 494 44L-HD2 D2 0.727 ambi=2 { CD2:25.388 } atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } ::sumAvg: 4.755 atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } ::sumAvg: 4.495 atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } atom: 358 33A-H N 8.386 ambi=1 { N:125.181 } ::sumAvg: 3.755 atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } ::sumAvg: 2.13 atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } ::sumAvg: 2.14 atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } ::sumAvg: 4.38 atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } ::sumAvg: 4.38 atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } ::sumAvg: 4.585 atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } ::sumAvg: 4.585 atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } ::sumAvg: 3.565 atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 492 44L-HG G 1.282 ambi=1 { CG:26.697 } ::sumAvg: 4.725 atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 493 44L-HD1 D1 0.633 ambi=2 { CD1:24.083 } :: atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 494 44L-HD2 D2 0.727 ambi=2 { CD2:25.388 } ::sumAvg: 3.455 atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } ::sumAvg: 4.865 atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 513 46T-H N 8.178 ambi=1 { N:122.218 } ::sumAvg: 4.34 atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } ::sumAvg: 2.015 atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 515 46T-HB B 3.789 ambi=1 { CB:69.232 } ::sumAvg: 4.475 atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } ::sumAvg: 2.9 atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } ::sumAvg: 2.9 atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } ::sumAvg: 3.42 atom: 359 33A-HA A 4.803 ambi=1 { CA:50.789 } atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } ::sumAvg: 4.805 atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } ::sumAvg: 4.255 atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } ::sumAvg: 4.36 atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } ::sumAvg: 4.675 atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } atom: 513 46T-H N 8.178 ambi=1 { N:122.218 } ::sumAvg: 4.805 atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } ::sumAvg: 3.51 atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } atom: 515 46T-HB B 3.789 ambi=1 { CB:69.232 } ::sumAvg: 4.68 atom: 515 46T-HB B 3.789 ambi=1 { CB:69.232 } atom: 360 33A-HB B 1.209 ambi=1 { CB:19.591 } ::sumAvg: 4.68 atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } ::sumAvg: 4.96 atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } ::sumAvg: 4.76 atom: 492 44L-HG G 1.282 ambi=1 { CG:26.697 } atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } ::sumAvg: 4.4 atom: 493 44L-HD1 D1 0.633 ambi=2 { CD1:24.083 } atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } :: atom: 494 44L-HD2 D2 0.727 ambi=2 { CD2:25.388 } atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } ::sumAvg: 3.12 atom: 504 45V-HB B 1.695 ambi=1 { CB:35.267 } atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } ::sumAvg: 4.465 atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } :: atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } ::sumAvg: 4.61 atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } ::sumAvg: 4.47 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 365 34V-H N 9.38 ambi=1 { N:127.357 } ::sumAvg: 4.635 atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } ::sumAvg: 4.375 atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } ::sumAvg: 4.375 atom: 378 35L-HB2 B 1.078 ambi=1 { CB:45.035 } atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } :: atom: 379 35L-HB3 B 1.836 ambi=1 { CB:45.035 } atom: 366 34V-HA A 4.137 ambi=1 { CA:61.254 } ::sumAvg: 4.515 atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } ::sumAvg: 4.295 atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } ::sumAvg: 3.92 atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } :: atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } ::sumAvg: 4.64 atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } :: atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } ::sumAvg: 4.64 atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } ::sumAvg: 4.62 atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } ::sumAvg: 4.62 atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } ::sumAvg: 4.65 atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } ::sumAvg: 4.6 atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } ::sumAvg: 4.6 atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } :: atom: 367 34V-HB B 1.825 ambi=1 { CB:34.022 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 3.925 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } :: atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } ::sumAvg: 2.85 atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } ::sumAvg: 3.89 atom: 391 36F-HA A 5.149 ambi=1 { CA:56.443 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 391 36F-HA A 5.149 ambi=1 { CA:56.443 } atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } ::sumAvg: 4.03 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } :: atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } ::sumAvg: 2.815 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } :: atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } ::sumAvg: 2.91 atom: 493 44L-HD1 D1 0.633 ambi=2 { CD1:24.083 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 494 44L-HD2 D2 0.727 ambi=2 { CD2:25.388 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } ::sumAvg: 4.455 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } :: atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } ::sumAvg: 4.405 atom: 504 45V-HB B 1.695 ambi=1 { CB:35.267 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 504 45V-HB B 1.695 ambi=1 { CB:35.267 } atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } ::sumAvg: 4.72 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } :: atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } ::sumAvg: 3.935 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } ::sumAvg: 4.725 atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } ::sumAvg: 4.725 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } :: atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } ::sumAvg: 3.375 atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 525 47F-HB3 B 3.45 ambi=1 { CB:44.197 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } :: atom: 525 47F-HB3 B 3.45 ambi=1 { CB:44.197 } atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } ::sumAvg: 3.165 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 587 52L-HB2 B 1.757 ambi=1 { CB:47.265 } :: atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 588 52L-HB3 B 0.887 ambi=1 { CB:47.265 } :: atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } atom: 587 52L-HB2 B 1.757 ambi=1 { CB:47.265 } ::sumAvg: 4.17 atom: 587 52L-HB2 B 1.757 ambi=1 { CB:47.265 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 588 52L-HB3 B 0.887 ambi=1 { CB:47.265 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 587 52L-HB2 B 1.757 ambi=1 { CB:47.265 } atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } ::sumAvg: 4.17 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } :: atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } ::sumAvg: 4.105 atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } ::sumAvg: 4.105 atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } :: atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } :: atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 2.175 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 368 34V-HG1 G1 -0.102 ambi=2 { CG1:21.395 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 369 34V-HG2 G2 0.737 ambi=2 { CG2:22.784 } ::sumAvg: 2.175 atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } ::sumAvg: 2.905 atom: 380 35L-HG G 1.239 ambi=1 { CG:27.153 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } ::sumAvg: 4.355 atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } :: atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } ::sumAvg: 4.23 atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } ::sumAvg: 4.61 atom: 492 44L-HG G 1.282 ambi=1 { CG:26.697 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } ::sumAvg: 4.705 atom: 493 44L-HD1 D1 0.633 ambi=2 { CD1:24.083 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } :: atom: 494 44L-HD2 D2 0.727 ambi=2 { CD2:25.388 } atom: 376 35L-H N 8.654 ambi=1 { N:127.433 } ::sumAvg: 3.525 atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 378 35L-HB2 B 1.078 ambi=1 { CB:45.035 } :: atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 379 35L-HB3 B 1.836 ambi=1 { CB:45.035 } ::sumAvg: 2.245 atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 380 35L-HG G 1.239 ambi=1 { CG:27.153 } ::sumAvg: 3.145 atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } :: atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } ::sumAvg: 2.11 atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } ::sumAvg: 2.115 atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } ::sumAvg: 4.58 atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } ::sumAvg: 4.58 atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } ::sumAvg: 4.005 atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } ::sumAvg: 4.56 atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 488 44L-H N 8.271 ambi=1 { N:127.381 } ::sumAvg: 4.665 atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 490 44L-HB2 B 1.659 ambi=1 { CB:43.359 } :: atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 491 44L-HB3 B 1.264 ambi=1 { CB:43.359 } ::sumAvg: 3.37 atom: 490 44L-HB2 B 1.659 ambi=1 { CB:43.359 } atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } :: atom: 491 44L-HB3 B 1.264 ambi=1 { CB:43.359 } atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } ::sumAvg: 3.37 atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 492 44L-HG G 1.282 ambi=1 { CG:26.697 } ::sumAvg: 3.44 atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 493 44L-HD1 D1 0.633 ambi=2 { CD1:24.083 } :: atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 494 44L-HD2 D2 0.727 ambi=2 { CD2:25.388 } ::sumAvg: 2.795 atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } ::sumAvg: 3.345 atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } :: atom: 377 35L-HA A 4.786 ambi=1 { CA:53.118 } atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } ::sumAvg: 4.945 atom: 378 35L-HB2 B 1.078 ambi=1 { CB:45.035 } atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } :: atom: 379 35L-HB3 B 1.836 ambi=1 { CB:45.035 } atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } ::sumAvg: 3.65 atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } atom: 378 35L-HB2 B 1.078 ambi=1 { CB:45.035 } :: atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } atom: 379 35L-HB3 B 1.836 ambi=1 { CB:45.035 } ::sumAvg: 3.65 atom: 378 35L-HB2 B 1.078 ambi=1 { CB:45.035 } atom: 490 44L-HB2 B 1.659 ambi=1 { CB:43.359 } ::sumAvg: 3.425 atom: 490 44L-HB2 B 1.659 ambi=1 { CB:43.359 } atom: 378 35L-HB2 B 1.078 ambi=1 { CB:45.035 } ::sumAvg: 3.425 atom: 380 35L-HG G 1.239 ambi=1 { CG:27.153 } atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } :: atom: 380 35L-HG G 1.239 ambi=1 { CG:27.153 } atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } ::sumAvg: 2.13 atom: 380 35L-HG G 1.239 ambi=1 { CG:27.153 } atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } ::sumAvg: 3.21 atom: 380 35L-HG G 1.239 ambi=1 { CG:27.153 } atom: 391 36F-HA A 5.149 ambi=1 { CA:56.443 } ::sumAvg: 3.885 atom: 391 36F-HA A 5.149 ambi=1 { CA:56.443 } atom: 380 35L-HG G 1.239 ambi=1 { CG:27.153 } ::sumAvg: 3.885 atom: 380 35L-HG G 1.239 ambi=1 { CG:27.153 } atom: 406 37E-H N 8.85 ambi=1 { N:120.972 } ::sumAvg: 4.4 atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } atom: 380 35L-HG G 1.239 ambi=1 { CG:27.153 } ::sumAvg: 4.59 atom: 380 35L-HG G 1.239 ambi=1 { CG:27.153 } atom: 408 37E-HB2 B 2.081 ambi=2 { CB:31.968 } :: atom: 380 35L-HG G 1.239 ambi=1 { CG:27.153 } atom: 409 37E-HB3 B 1.999 ambi=2 { CB:31.968 } ::sumAvg: 3.75 atom: 408 37E-HB2 B 2.081 ambi=2 { CB:31.968 } atom: 380 35L-HG G 1.239 ambi=1 { CG:27.153 } :: atom: 409 37E-HB3 B 1.999 ambi=2 { CB:31.968 } atom: 380 35L-HG G 1.239 ambi=1 { CG:27.153 } ::sumAvg: 3.75 atom: 380 35L-HG G 1.239 ambi=1 { CG:27.153 } atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } ::sumAvg: 4.765 atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } atom: 380 35L-HG G 1.239 ambi=1 { CG:27.153 } ::sumAvg: 4.765 atom: 380 35L-HG G 1.239 ambi=1 { CG:27.153 } atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } ::sumAvg: 4.305 atom: 391 36F-HA A 5.149 ambi=1 { CA:56.443 } atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } :: atom: 391 36F-HA A 5.149 ambi=1 { CA:56.443 } atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } ::sumAvg: 4.48 atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } :: atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } ::sumAvg: 4.405 atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } :: atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } ::sumAvg: 4.405 atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } :: atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } ::sumAvg: 4.56 atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } atom: 408 37E-HB2 B 2.081 ambi=2 { CB:31.968 } :: atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } atom: 409 37E-HB3 B 1.999 ambi=2 { CB:31.968 } :: atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } atom: 408 37E-HB2 B 2.081 ambi=2 { CB:31.968 } :: atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } atom: 409 37E-HB3 B 1.999 ambi=2 { CB:31.968 } ::sumAvg: 3.98 atom: 408 37E-HB2 B 2.081 ambi=2 { CB:31.968 } atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } :: atom: 409 37E-HB3 B 1.999 ambi=2 { CB:31.968 } atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } :: atom: 408 37E-HB2 B 2.081 ambi=2 { CB:31.968 } atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } :: atom: 409 37E-HB3 B 1.999 ambi=2 { CB:31.968 } atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } ::sumAvg: 3.98 atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } :: atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } ::sumAvg: 3.68 atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } :: atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } ::sumAvg: 3.68 atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } :: atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } ::sumAvg: 3.73 atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } :: atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } ::sumAvg: 3.73 atom: 473 43K-HB2 B 1.634 ambi=2 { CB:36.014 } atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } :: atom: 474 43K-HB3 B 1.527 ambi=2 { CB:36.014 } atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } :: atom: 473 43K-HB2 B 1.634 ambi=2 { CB:36.014 } atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } :: atom: 474 43K-HB3 B 1.527 ambi=2 { CB:36.014 } atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } ::sumAvg: 4.64 atom: 475 43K-QG G 1.363 ambi=2 { CG:24.75 } atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } :: atom: 475 43K-QG G 1.363 ambi=2 { CG:24.75 } atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } ::sumAvg: 4.7 atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } atom: 488 44L-H N 8.271 ambi=1 { N:127.381 } :: atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } atom: 488 44L-H N 8.271 ambi=1 { N:127.381 } ::sumAvg: 3.485 atom: 492 44L-HG G 1.282 ambi=1 { CG:26.697 } atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } :: atom: 492 44L-HG G 1.282 ambi=1 { CG:26.697 } atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } ::sumAvg: 3.745 atom: 381 35L-HD1 D1 0.746 ambi=2 { CD1:23.178 } atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } :: atom: 382 35L-HD2 D2 0.768 ambi=2 { CD2:25.803 } atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } ::sumAvg: 4.365 atom: 391 36F-HA A 5.149 ambi=1 { CA:56.443 } atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } ::sumAvg: 2.93 atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } ::sumAvg: 4.675 atom: 475 43K-QG G 1.363 ambi=2 { CG:24.75 } atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } ::sumAvg: 4.75 atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } ::sumAvg: 3.07 atom: 490 44L-HB2 B 1.659 ambi=1 { CB:43.359 } atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } ::sumAvg: 4.52 atom: 493 44L-HD1 D1 0.633 ambi=2 { CD1:24.083 } atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } :: atom: 494 44L-HD2 D2 0.727 ambi=2 { CD2:25.388 } atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } ::sumAvg: 4.43 atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } :: atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } atom: 390 36F-H N 9.276 ambi=1 { N:128.444 } ::sumAvg: 4.55 atom: 391 36F-HA A 5.149 ambi=1 { CA:56.443 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } ::sumAvg: 4.58 atom: 391 36F-HA A 5.149 ambi=1 { CA:56.443 } atom: 408 37E-HB2 B 2.081 ambi=2 { CB:31.968 } :: atom: 391 36F-HA A 5.149 ambi=1 { CA:56.443 } atom: 409 37E-HB3 B 1.999 ambi=2 { CB:31.968 } ::sumAvg: 4.35 atom: 408 37E-HB2 B 2.081 ambi=2 { CB:31.968 } atom: 391 36F-HA A 5.149 ambi=1 { CA:56.443 } :: atom: 409 37E-HB3 B 1.999 ambi=2 { CB:31.968 } atom: 391 36F-HA A 5.149 ambi=1 { CA:56.443 } ::sumAvg: 4.35 atom: 391 36F-HA A 5.149 ambi=1 { CA:56.443 } atom: 410 37E-QG G 2.249 ambi=2 { CG:35.889 } ::sumAvg: 4.695 atom: 410 37E-QG G 2.249 ambi=2 { CG:35.889 } atom: 391 36F-HA A 5.149 ambi=1 { CA:56.443 } ::sumAvg: 4.695 atom: 391 36F-HA A 5.149 ambi=1 { CA:56.443 } atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } ::sumAvg: 4.86 atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } :: atom: 393 36F-HB3 B 3.477 ambi=1 { CB:40.699 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } ::sumAvg: 4.365 atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } :: atom: 393 36F-HB3 B 3.477 ambi=1 { CB:40.699 } atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } ::sumAvg: 4.54 atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } :: atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } atom: 393 36F-HB3 B 3.477 ambi=1 { CB:40.699 } ::sumAvg: 4.54 atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } ::sumAvg: 4.525 atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } ::sumAvg: 4.525 atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } atom: 473 43K-HB2 B 1.634 ambi=2 { CB:36.014 } :: atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } atom: 474 43K-HB3 B 1.527 ambi=2 { CB:36.014 } :: atom: 393 36F-HB3 B 3.477 ambi=1 { CB:40.699 } atom: 473 43K-HB2 B 1.634 ambi=2 { CB:36.014 } :: atom: 393 36F-HB3 B 3.477 ambi=1 { CB:40.699 } atom: 474 43K-HB3 B 1.527 ambi=2 { CB:36.014 } ::sumAvg: 2.97 atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } atom: 475 43K-QG G 1.363 ambi=2 { CG:24.75 } ::sumAvg: 4.42 atom: 475 43K-QG G 1.363 ambi=2 { CG:24.75 } atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } ::sumAvg: 4.42 atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } ::sumAvg: 4.93 atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } ::sumAvg: 4.93 atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } :: atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } ::sumAvg: 4.575 atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } :: atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } atom: 392 36F-HB2 B 2.884 ambi=1 { CB:40.699 } ::sumAvg: 4.575 atom: 473 43K-HB2 B 1.634 ambi=2 { CB:36.014 } atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } :: atom: 474 43K-HB3 B 1.527 ambi=2 { CB:36.014 } atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } ::sumAvg: 3.63 atom: 475 43K-QG G 1.363 ambi=2 { CG:24.75 } atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } ::sumAvg: 3.92 atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } atom: 394 36F-QD D 7.151 ambi=3 { CD1:131.659 } ::sumAvg: 3.935 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 396 36F-QE E 6.772 ambi=3 { CE1:130.366 } ::sumAvg: 4.655 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 398 36F-HZ Z 6.829 ambi=1 { CZ:128.479 } ::sumAvg: 4.18 atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } atom: 406 37E-H N 8.85 ambi=1 { N:120.972 } ::sumAvg: 2.915 atom: 418 38N-HA A 4.811 ambi=1 { CA:53.041 } atom: 406 37E-H N 8.85 ambi=1 { N:120.972 } ::sumAvg: 4.665 atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } atom: 406 37E-H N 8.85 ambi=1 { N:120.972 } ::sumAvg: 4.86 atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } atom: 408 37E-HB2 B 2.081 ambi=2 { CB:31.968 } :: atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } atom: 409 37E-HB3 B 1.999 ambi=2 { CB:31.968 } ::sumAvg: 2.45 atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } atom: 410 37E-QG G 2.249 ambi=2 { CG:35.889 } ::sumAvg: 2.405 atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } atom: 417 38N-H N 8.751 ambi=1 { N:120.983 } ::sumAvg: 2.84 atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } atom: 419 38N-HB2 B 2.765 ambi=2 { CB:39.35 } :: atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } atom: 420 38N-HB3 B 2.693 ambi=2 { CB:39.35 } ::sumAvg: 4.585 atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } atom: 428 39G-H N 8.852 ambi=1 { N:112.983 } ::sumAvg: 4.28 atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } atom: 444 41W-H N 7.971 ambi=1 { N:120.597 } ::sumAvg: 4.87 atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } atom: 447 41W-HB3 B 3.477 ambi=1 { CB:29.988 } ::sumAvg: 4.3 atom: 447 41W-HB3 B 3.477 ambi=1 { CB:29.988 } atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } ::sumAvg: 4.3 atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } atom: 463 42D-H N 7.932 ambi=1 { N:121.388 } ::sumAvg: 4.765 atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } atom: 465 42D-HB2 B 2.624 ambi=2 { CB:42.446 } :: atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } atom: 466 42D-HB3 B 2.547 ambi=2 { CB:42.446 } ::sumAvg: 3.845 atom: 407 37E-HA A 4.83 ambi=1 { CA:55.678 } atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } ::sumAvg: 3.92 atom: 408 37E-HB2 B 2.081 ambi=2 { CB:31.968 } atom: 417 38N-H N 8.751 ambi=1 { N:120.983 } :: atom: 409 37E-HB3 B 1.999 ambi=2 { CB:31.968 } atom: 417 38N-H N 8.751 ambi=1 { N:120.983 } ::sumAvg: 3.175 atom: 418 38N-HA A 4.811 ambi=1 { CA:53.041 } atom: 408 37E-HB2 B 2.081 ambi=2 { CB:31.968 } :: atom: 418 38N-HA A 4.811 ambi=1 { CA:53.041 } atom: 409 37E-HB3 B 1.999 ambi=2 { CB:31.968 } ::sumAvg: 4.535 atom: 408 37E-HB2 B 2.081 ambi=2 { CB:31.968 } atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } :: atom: 409 37E-HB3 B 1.999 ambi=2 { CB:31.968 } atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } ::sumAvg: 4.455 atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } atom: 408 37E-HB2 B 2.081 ambi=2 { CB:31.968 } :: atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } atom: 409 37E-HB3 B 1.999 ambi=2 { CB:31.968 } ::sumAvg: 4.455 atom: 408 37E-HB2 B 2.081 ambi=2 { CB:31.968 } atom: 465 42D-HB2 B 2.624 ambi=2 { CB:42.446 } :: atom: 408 37E-HB2 B 2.081 ambi=2 { CB:31.968 } atom: 466 42D-HB3 B 2.547 ambi=2 { CB:42.446 } :: atom: 409 37E-HB3 B 1.999 ambi=2 { CB:31.968 } atom: 465 42D-HB2 B 2.624 ambi=2 { CB:42.446 } :: atom: 409 37E-HB3 B 1.999 ambi=2 { CB:31.968 } atom: 466 42D-HB3 B 2.547 ambi=2 { CB:42.446 } ::sumAvg: 4.605 atom: 465 42D-HB2 B 2.624 ambi=2 { CB:42.446 } atom: 408 37E-HB2 B 2.081 ambi=2 { CB:31.968 } :: atom: 466 42D-HB3 B 2.547 ambi=2 { CB:42.446 } atom: 408 37E-HB2 B 2.081 ambi=2 { CB:31.968 } :: atom: 465 42D-HB2 B 2.624 ambi=2 { CB:42.446 } atom: 409 37E-HB3 B 1.999 ambi=2 { CB:31.968 } :: atom: 466 42D-HB3 B 2.547 ambi=2 { CB:42.446 } atom: 409 37E-HB3 B 1.999 ambi=2 { CB:31.968 } ::sumAvg: 4.605 atom: 410 37E-QG G 2.249 ambi=2 { CG:35.889 } atom: 417 38N-H N 8.751 ambi=1 { N:120.983 } ::sumAvg: 3.195 atom: 418 38N-HA A 4.811 ambi=1 { CA:53.041 } atom: 410 37E-QG G 2.249 ambi=2 { CG:35.889 } ::sumAvg: 4.655 atom: 410 37E-QG G 2.249 ambi=2 { CG:35.889 } atom: 444 41W-H N 7.971 ambi=1 { N:120.597 } ::sumAvg: 4.78 atom: 410 37E-QG G 2.249 ambi=2 { CG:35.889 } atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } ::sumAvg: 3.535 atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } atom: 410 37E-QG G 2.249 ambi=2 { CG:35.889 } ::sumAvg: 3.535 atom: 410 37E-QG G 2.249 ambi=2 { CG:35.889 } atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } ::sumAvg: 4.785 atom: 418 38N-HA A 4.811 ambi=1 { CA:53.041 } atom: 417 38N-H N 8.751 ambi=1 { N:120.983 } ::sumAvg: 2.6 atom: 429 39G-HA2 A 3.713 ambi=2 { CA:46.389 } atom: 417 38N-H N 8.751 ambi=1 { N:120.983 } :: atom: 430 39G-HA3 A 4.007 ambi=2 { CA:46.389 } atom: 417 38N-H N 8.751 ambi=1 { N:120.983 } ::sumAvg: 4.815 atom: 447 41W-HB3 B 3.477 ambi=1 { CB:29.988 } atom: 417 38N-H N 8.751 ambi=1 { N:120.983 } ::sumAvg: 4.78 atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } atom: 417 38N-H N 8.751 ambi=1 { N:120.983 } ::sumAvg: 4.77 atom: 418 38N-HA A 4.811 ambi=1 { CA:53.041 } atom: 419 38N-HB2 B 2.765 ambi=2 { CB:39.35 } :: atom: 418 38N-HA A 4.811 ambi=1 { CA:53.041 } atom: 420 38N-HB3 B 2.693 ambi=2 { CB:39.35 } ::sumAvg: 2.45 atom: 418 38N-HA A 4.811 ambi=1 { CA:53.041 } atom: 421 38N-HD21 D2 7.39 ambi=2 { ND2:111.776 } :: atom: 418 38N-HA A 4.811 ambi=1 { CA:53.041 } atom: 422 38N-HD22 D2 6.642 ambi=2 { ND2:111.776 } ::sumAvg: 4.34 atom: 418 38N-HA A 4.811 ambi=1 { CA:53.041 } atom: 428 39G-H N 8.852 ambi=1 { N:112.983 } ::sumAvg: 2.875 atom: 418 38N-HA A 4.811 ambi=1 { CA:53.041 } atom: 429 39G-HA2 A 3.713 ambi=2 { CA:46.389 } :: atom: 418 38N-HA A 4.811 ambi=1 { CA:53.041 } atom: 430 39G-HA3 A 4.007 ambi=2 { CA:46.389 } ::sumAvg: 4.515 atom: 429 39G-HA2 A 3.713 ambi=2 { CA:46.389 } atom: 418 38N-HA A 4.811 ambi=1 { CA:53.041 } :: atom: 430 39G-HA3 A 4.007 ambi=2 { CA:46.389 } atom: 418 38N-HA A 4.811 ambi=1 { CA:53.041 } ::sumAvg: 4.515 atom: 419 38N-HB2 B 2.765 ambi=2 { CB:39.35 } atom: 428 39G-H N 8.852 ambi=1 { N:112.983 } :: atom: 420 38N-HB3 B 2.693 ambi=2 { CB:39.35 } atom: 428 39G-H N 8.852 ambi=1 { N:112.983 } ::sumAvg: 3.21 atom: 419 38N-HB2 B 2.765 ambi=2 { CB:39.35 } atom: 429 39G-HA2 A 3.713 ambi=2 { CA:46.389 } :: atom: 419 38N-HB2 B 2.765 ambi=2 { CB:39.35 } atom: 430 39G-HA3 A 4.007 ambi=2 { CA:46.389 } :: atom: 420 38N-HB3 B 2.693 ambi=2 { CB:39.35 } atom: 429 39G-HA2 A 3.713 ambi=2 { CA:46.389 } :: atom: 420 38N-HB3 B 2.693 ambi=2 { CB:39.35 } atom: 430 39G-HA3 A 4.007 ambi=2 { CA:46.389 } ::sumAvg: 4.49 atom: 429 39G-HA2 A 3.713 ambi=2 { CA:46.389 } atom: 419 38N-HB2 B 2.765 ambi=2 { CB:39.35 } :: atom: 430 39G-HA3 A 4.007 ambi=2 { CA:46.389 } atom: 419 38N-HB2 B 2.765 ambi=2 { CB:39.35 } :: atom: 429 39G-HA2 A 3.713 ambi=2 { CA:46.389 } atom: 420 38N-HB3 B 2.693 ambi=2 { CB:39.35 } :: atom: 430 39G-HA3 A 4.007 ambi=2 { CA:46.389 } atom: 420 38N-HB3 B 2.693 ambi=2 { CB:39.35 } ::sumAvg: 4.49 atom: 419 38N-HB2 B 2.765 ambi=2 { CB:39.35 } atom: 433 40N-H N 8.621 ambi=1 { N:121.824 } :: atom: 420 38N-HB3 B 2.693 ambi=2 { CB:39.35 } atom: 433 40N-H N 8.621 ambi=1 { N:121.824 } ::sumAvg: 4.51 atom: 419 38N-HB2 B 2.765 ambi=2 { CB:39.35 } atom: 444 41W-H N 7.971 ambi=1 { N:120.597 } :: atom: 420 38N-HB3 B 2.693 ambi=2 { CB:39.35 } atom: 444 41W-H N 7.971 ambi=1 { N:120.597 } ::sumAvg: 4.02 atom: 419 38N-HB2 B 2.765 ambi=2 { CB:39.35 } atom: 446 41W-HB2 B 3.245 ambi=1 { CB:29.988 } :: atom: 419 38N-HB2 B 2.765 ambi=2 { CB:39.35 } atom: 447 41W-HB3 B 3.477 ambi=1 { CB:29.988 } :: atom: 420 38N-HB3 B 2.693 ambi=2 { CB:39.35 } atom: 446 41W-HB2 B 3.245 ambi=1 { CB:29.988 } :: atom: 420 38N-HB3 B 2.693 ambi=2 { CB:39.35 } atom: 447 41W-HB3 B 3.477 ambi=1 { CB:29.988 } ::sumAvg: 3.37 atom: 446 41W-HB2 B 3.245 ambi=1 { CB:29.988 } atom: 419 38N-HB2 B 2.765 ambi=2 { CB:39.35 } :: atom: 447 41W-HB3 B 3.477 ambi=1 { CB:29.988 } atom: 419 38N-HB2 B 2.765 ambi=2 { CB:39.35 } :: atom: 446 41W-HB2 B 3.245 ambi=1 { CB:29.988 } atom: 420 38N-HB3 B 2.693 ambi=2 { CB:39.35 } :: atom: 447 41W-HB3 B 3.477 ambi=1 { CB:29.988 } atom: 420 38N-HB3 B 2.693 ambi=2 { CB:39.35 } ::sumAvg: 3.37 atom: 419 38N-HB2 B 2.765 ambi=2 { CB:39.35 } atom: 448 41W-HD1 D1 7.312 ambi=1 { CD1:127.764 } :: atom: 420 38N-HB3 B 2.693 ambi=2 { CB:39.35 } atom: 448 41W-HD1 D1 7.312 ambi=1 { CD1:127.764 } ::sumAvg: 4.8 atom: 446 41W-HB2 B 3.245 ambi=1 { CB:29.988 } atom: 421 38N-HD21 D2 7.39 ambi=2 { ND2:111.776 } :: atom: 447 41W-HB3 B 3.477 ambi=1 { CB:29.988 } atom: 421 38N-HD21 D2 7.39 ambi=2 { ND2:111.776 } :: atom: 446 41W-HB2 B 3.245 ambi=1 { CB:29.988 } atom: 422 38N-HD22 D2 6.642 ambi=2 { ND2:111.776 } :: atom: 447 41W-HB3 B 3.477 ambi=1 { CB:29.988 } atom: 422 38N-HD22 D2 6.642 ambi=2 { ND2:111.776 } ::sumAvg: 3.795 atom: 434 40N-HA A 4.702 ambi=1 { CA:53.344 } atom: 428 39G-H N 8.852 ambi=1 { N:112.983 } ::sumAvg: 4.945 atom: 446 41W-HB2 B 3.245 ambi=1 { CB:29.988 } atom: 428 39G-H N 8.852 ambi=1 { N:112.983 } :: atom: 447 41W-HB3 B 3.477 ambi=1 { CB:29.988 } atom: 428 39G-H N 8.852 ambi=1 { N:112.983 } ::sumAvg: 4.12 atom: 429 39G-HA2 A 3.713 ambi=2 { CA:46.389 } atom: 434 40N-HA A 4.702 ambi=1 { CA:53.344 } :: atom: 430 39G-HA3 A 4.007 ambi=2 { CA:46.389 } atom: 434 40N-HA A 4.702 ambi=1 { CA:53.344 } ::sumAvg: 4.455 atom: 434 40N-HA A 4.702 ambi=1 { CA:53.344 } atom: 429 39G-HA2 A 3.713 ambi=2 { CA:46.389 } :: atom: 434 40N-HA A 4.702 ambi=1 { CA:53.344 } atom: 430 39G-HA3 A 4.007 ambi=2 { CA:46.389 } ::sumAvg: 4.455 atom: 429 39G-HA2 A 3.713 ambi=2 { CA:46.389 } atom: 435 40N-HB2 B 2.617 ambi=2 { CB:38.482 } :: atom: 429 39G-HA2 A 3.713 ambi=2 { CA:46.389 } atom: 436 40N-HB3 B 2.76 ambi=2 { CB:38.482 } :: atom: 430 39G-HA3 A 4.007 ambi=2 { CA:46.389 } atom: 435 40N-HB2 B 2.617 ambi=2 { CB:38.482 } :: atom: 430 39G-HA3 A 4.007 ambi=2 { CA:46.389 } atom: 436 40N-HB3 B 2.76 ambi=2 { CB:38.482 } ::sumAvg: 4.665 atom: 435 40N-HB2 B 2.617 ambi=2 { CB:38.482 } atom: 429 39G-HA2 A 3.713 ambi=2 { CA:46.389 } :: atom: 436 40N-HB3 B 2.76 ambi=2 { CB:38.482 } atom: 429 39G-HA2 A 3.713 ambi=2 { CA:46.389 } :: atom: 435 40N-HB2 B 2.617 ambi=2 { CB:38.482 } atom: 430 39G-HA3 A 4.007 ambi=2 { CA:46.389 } :: atom: 436 40N-HB3 B 2.76 ambi=2 { CB:38.482 } atom: 430 39G-HA3 A 4.007 ambi=2 { CA:46.389 } ::sumAvg: 4.665 atom: 429 39G-HA2 A 3.713 ambi=2 { CA:46.389 } atom: 444 41W-H N 7.971 ambi=1 { N:120.597 } :: atom: 430 39G-HA3 A 4.007 ambi=2 { CA:46.389 } atom: 444 41W-H N 7.971 ambi=1 { N:120.597 } ::sumAvg: 4.095 atom: 434 40N-HA A 4.702 ambi=1 { CA:53.344 } atom: 433 40N-H N 8.621 ambi=1 { N:121.824 } ::sumAvg: 2.605 atom: 445 41W-HA A 4.734 ambi=1 { CA:56.935 } atom: 433 40N-H N 8.621 ambi=1 { N:121.824 } ::sumAvg: 4.73 atom: 446 41W-HB2 B 3.245 ambi=1 { CB:29.988 } atom: 433 40N-H N 8.621 ambi=1 { N:121.824 } ::sumAvg: 4.525 atom: 434 40N-HA A 4.702 ambi=1 { CA:53.344 } atom: 435 40N-HB2 B 2.617 ambi=2 { CB:38.482 } :: atom: 434 40N-HA A 4.702 ambi=1 { CA:53.344 } atom: 436 40N-HB3 B 2.76 ambi=2 { CB:38.482 } ::sumAvg: 2.44 atom: 434 40N-HA A 4.702 ambi=1 { CA:53.344 } atom: 437 40N-HD21 D2 7.448 ambi=2 { ND2:112.187 } :: atom: 434 40N-HA A 4.702 ambi=1 { CA:53.344 } atom: 438 40N-HD22 D2 6.89 ambi=2 { ND2:112.187 } ::sumAvg: 4.385 atom: 434 40N-HA A 4.702 ambi=1 { CA:53.344 } atom: 444 41W-H N 7.971 ambi=1 { N:120.597 } ::sumAvg: 2.895 atom: 445 41W-HA A 4.734 ambi=1 { CA:56.935 } atom: 435 40N-HB2 B 2.617 ambi=2 { CB:38.482 } :: atom: 445 41W-HA A 4.734 ambi=1 { CA:56.935 } atom: 436 40N-HB3 B 2.76 ambi=2 { CB:38.482 } ::sumAvg: 4.585 atom: 435 40N-HB2 B 2.617 ambi=2 { CB:38.482 } atom: 446 41W-HB2 B 3.245 ambi=1 { CB:29.988 } :: atom: 436 40N-HB3 B 2.76 ambi=2 { CB:38.482 } atom: 446 41W-HB2 B 3.245 ambi=1 { CB:29.988 } ::sumAvg: 4.99 atom: 446 41W-HB2 B 3.245 ambi=1 { CB:29.988 } atom: 435 40N-HB2 B 2.617 ambi=2 { CB:38.482 } :: atom: 446 41W-HB2 B 3.245 ambi=1 { CB:29.988 } atom: 436 40N-HB3 B 2.76 ambi=2 { CB:38.482 } ::sumAvg: 4.99 atom: 445 41W-HA A 4.734 ambi=1 { CA:56.935 } atom: 444 41W-H N 7.971 ambi=1 { N:120.597 } ::sumAvg: 2.875 atom: 445 41W-HA A 4.734 ambi=1 { CA:56.935 } atom: 446 41W-HB2 B 3.245 ambi=1 { CB:29.988 } :: atom: 445 41W-HA A 4.734 ambi=1 { CA:56.935 } atom: 447 41W-HB3 B 3.477 ambi=1 { CB:29.988 } ::sumAvg: 2.725 atom: 445 41W-HA A 4.734 ambi=1 { CA:56.935 } atom: 448 41W-HD1 D1 7.312 ambi=1 { CD1:127.764 } ::sumAvg: 3.64 atom: 445 41W-HA A 4.734 ambi=1 { CA:56.935 } atom: 450 41W-HE3 E3 7.504 ambi=1 { CE3:120.81 } ::sumAvg: 3.55 atom: 445 41W-HA A 4.734 ambi=1 { CA:56.935 } atom: 463 42D-H N 7.932 ambi=1 { N:121.388 } ::sumAvg: 2.215 atom: 445 41W-HA A 4.734 ambi=1 { CA:56.935 } atom: 465 42D-HB2 B 2.624 ambi=2 { CB:42.446 } :: atom: 445 41W-HA A 4.734 ambi=1 { CA:56.935 } atom: 466 42D-HB3 B 2.547 ambi=2 { CB:42.446 } ::sumAvg: 4.53 atom: 465 42D-HB2 B 2.624 ambi=2 { CB:42.446 } atom: 445 41W-HA A 4.734 ambi=1 { CA:56.935 } :: atom: 466 42D-HB3 B 2.547 ambi=2 { CB:42.446 } atom: 445 41W-HA A 4.734 ambi=1 { CA:56.935 } ::sumAvg: 4.53 atom: 446 41W-HB2 B 3.245 ambi=1 { CB:29.988 } atom: 449 41W-HE1 E1 10.159 ambi=1 { NE1:129.361 } ::sumAvg: 4.995 atom: 447 41W-HB3 B 3.477 ambi=1 { CB:29.988 } atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } ::sumAvg: 4.56 atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } atom: 447 41W-HB3 B 3.477 ambi=1 { CB:29.988 } ::sumAvg: 4.56 atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } atom: 450 41W-HE3 E3 7.504 ambi=1 { CE3:120.81 } ::sumAvg: 4.62 atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } atom: 463 42D-H N 7.932 ambi=1 { N:121.388 } ::sumAvg: 2.905 atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } atom: 463 42D-H N 7.932 ambi=1 { N:121.388 } ::sumAvg: 4.875 atom: 473 43K-HB2 B 1.634 ambi=2 { CB:36.014 } atom: 463 42D-H N 7.932 ambi=1 { N:121.388 } :: atom: 474 43K-HB3 B 1.527 ambi=2 { CB:36.014 } atom: 463 42D-H N 7.932 ambi=1 { N:121.388 } ::sumAvg: 4.285 atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } ::sumAvg: 4.445 atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } ::sumAvg: 4.445 atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } atom: 473 43K-HB2 B 1.634 ambi=2 { CB:36.014 } :: atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } atom: 474 43K-HB3 B 1.527 ambi=2 { CB:36.014 } ::sumAvg: 4.495 atom: 473 43K-HB2 B 1.634 ambi=2 { CB:36.014 } atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } :: atom: 474 43K-HB3 B 1.527 ambi=2 { CB:36.014 } atom: 464 42D-HA A 4.949 ambi=1 { CA:53.394 } ::sumAvg: 4.495 atom: 465 42D-HB2 B 2.624 ambi=2 { CB:42.446 } atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } :: atom: 466 42D-HB3 B 2.547 ambi=2 { CB:42.446 } atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } ::sumAvg: 4.345 atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } ::sumAvg: 2.88 atom: 475 43K-QG G 1.363 ambi=2 { CG:24.75 } atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } ::sumAvg: 4.215 atom: 477 43K-QD D 1.697 ambi=2 { CD:28.883 } atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } ::sumAvg: 4.775 atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } atom: 471 43K-H N 8.383 ambi=1 { N:120.157 } ::sumAvg: 4.54 atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } atom: 479 43K-QE E 2.999 ambi=2 { CE:41.994 } ::sumAvg: 4.305 atom: 479 43K-QE E 2.999 ambi=2 { CE:41.994 } atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } ::sumAvg: 4.305 atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } ::sumAvg: 4.375 atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } ::sumAvg: 4.375 atom: 490 44L-HB2 B 1.659 ambi=1 { CB:43.359 } atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } :: atom: 491 44L-HB3 B 1.264 ambi=1 { CB:43.359 } atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } ::sumAvg: 4.32 atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } :: atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } ::sumAvg: 4.505 atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } :: atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } atom: 472 43K-HA A 4.347 ambi=1 { CA:55.565 } ::sumAvg: 4.505 atom: 473 43K-HB2 B 1.634 ambi=2 { CB:36.014 } atom: 479 43K-QE E 2.999 ambi=2 { CE:41.994 } :: atom: 474 43K-HB3 B 1.527 ambi=2 { CB:36.014 } atom: 479 43K-QE E 2.999 ambi=2 { CE:41.994 } ::sumAvg: 3.935 atom: 473 43K-HB2 B 1.634 ambi=2 { CB:36.014 } atom: 488 44L-H N 8.271 ambi=1 { N:127.381 } :: atom: 474 43K-HB3 B 1.527 ambi=2 { CB:36.014 } atom: 488 44L-H N 8.271 ambi=1 { N:127.381 } ::sumAvg: 4.13 atom: 473 43K-HB2 B 1.634 ambi=2 { CB:36.014 } atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } :: atom: 474 43K-HB3 B 1.527 ambi=2 { CB:36.014 } atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } ::sumAvg: 4.85 atom: 473 43K-HB2 B 1.634 ambi=2 { CB:36.014 } atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } :: atom: 473 43K-HB2 B 1.634 ambi=2 { CB:36.014 } atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } :: atom: 474 43K-HB3 B 1.527 ambi=2 { CB:36.014 } atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } :: atom: 474 43K-HB3 B 1.527 ambi=2 { CB:36.014 } atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } ::sumAvg: 3.48 atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } atom: 473 43K-HB2 B 1.634 ambi=2 { CB:36.014 } :: atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } atom: 473 43K-HB2 B 1.634 ambi=2 { CB:36.014 } :: atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } atom: 474 43K-HB3 B 1.527 ambi=2 { CB:36.014 } :: atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } atom: 474 43K-HB3 B 1.527 ambi=2 { CB:36.014 } ::sumAvg: 3.48 atom: 475 43K-QG G 1.363 ambi=2 { CG:24.75 } atom: 479 43K-QE E 2.999 ambi=2 { CE:41.994 } ::sumAvg: 2.13 atom: 479 43K-QE E 2.999 ambi=2 { CE:41.994 } atom: 475 43K-QG G 1.363 ambi=2 { CG:24.75 } ::sumAvg: 2.13 atom: 475 43K-QG G 1.363 ambi=2 { CG:24.75 } atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } ::sumAvg: 4.01 atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } atom: 475 43K-QG G 1.363 ambi=2 { CG:24.75 } ::sumAvg: 4.01 atom: 475 43K-QG G 1.363 ambi=2 { CG:24.75 } atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } ::sumAvg: 4.185 atom: 475 43K-QG G 1.363 ambi=2 { CG:24.75 } atom: 503 45V-HA A 4.123 ambi=1 { CA:61.257 } ::sumAvg: 4.29 atom: 503 45V-HA A 4.123 ambi=1 { CA:61.257 } atom: 475 43K-QG G 1.363 ambi=2 { CG:24.75 } ::sumAvg: 4.29 atom: 479 43K-QE E 2.999 ambi=2 { CE:41.994 } atom: 488 44L-H N 8.271 ambi=1 { N:127.381 } ::sumAvg: 4.225 atom: 479 43K-QE E 2.999 ambi=2 { CE:41.994 } atom: 503 45V-HA A 4.123 ambi=1 { CA:61.257 } ::sumAvg: 4.41 atom: 503 45V-HA A 4.123 ambi=1 { CA:61.257 } atom: 479 43K-QE E 2.999 ambi=2 { CE:41.994 } ::sumAvg: 4.41 atom: 479 43K-QE E 2.999 ambi=2 { CE:41.994 } atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } :: atom: 479 43K-QE E 2.999 ambi=2 { CE:41.994 } atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } ::sumAvg: 2.475 atom: 493 44L-HD1 D1 0.633 ambi=2 { CD1:24.083 } atom: 488 44L-H N 8.271 ambi=1 { N:127.381 } :: atom: 494 44L-HD2 D2 0.727 ambi=2 { CD2:25.388 } atom: 488 44L-H N 8.271 ambi=1 { N:127.381 } ::sumAvg: 4.24 atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } atom: 488 44L-H N 8.271 ambi=1 { N:127.381 } :: atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } atom: 488 44L-H N 8.271 ambi=1 { N:127.381 } ::sumAvg: 3.885 atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } atom: 503 45V-HA A 4.123 ambi=1 { CA:61.257 } ::sumAvg: 4.385 atom: 503 45V-HA A 4.123 ambi=1 { CA:61.257 } atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } ::sumAvg: 4.385 atom: 504 45V-HB B 1.695 ambi=1 { CB:35.267 } atom: 489 44L-HA A 5.09 ambi=1 { CA:53.413 } ::sumAvg: 4.615 atom: 490 44L-HB2 B 1.659 ambi=1 { CB:43.359 } atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } :: atom: 491 44L-HB3 B 1.264 ambi=1 { CB:43.359 } atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } ::sumAvg: 4.225 atom: 491 44L-HB3 B 1.264 ambi=1 { CB:43.359 } atom: 503 45V-HA A 4.123 ambi=1 { CA:61.257 } ::sumAvg: 4.85 atom: 503 45V-HA A 4.123 ambi=1 { CA:61.257 } atom: 491 44L-HB3 B 1.264 ambi=1 { CB:43.359 } ::sumAvg: 4.85 atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } atom: 491 44L-HB3 B 1.264 ambi=1 { CB:43.359 } :: atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } atom: 491 44L-HB3 B 1.264 ambi=1 { CB:43.359 } ::sumAvg: 4.935 atom: 492 44L-HG G 1.282 ambi=1 { CG:26.697 } atom: 503 45V-HA A 4.123 ambi=1 { CA:61.257 } ::sumAvg: 4.56 atom: 503 45V-HA A 4.123 ambi=1 { CA:61.257 } atom: 492 44L-HG G 1.282 ambi=1 { CG:26.697 } ::sumAvg: 4.56 atom: 493 44L-HD1 D1 0.633 ambi=2 { CD1:24.083 } atom: 513 46T-H N 8.178 ambi=1 { N:122.218 } :: atom: 494 44L-HD2 D2 0.727 ambi=2 { CD2:25.388 } atom: 513 46T-H N 8.178 ambi=1 { N:122.218 } ::sumAvg: 4.63 atom: 493 44L-HD1 D1 0.633 ambi=2 { CD1:24.083 } atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } :: atom: 494 44L-HD2 D2 0.727 ambi=2 { CD2:25.388 } atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } ::sumAvg: 4.37 atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } atom: 502 45V-H N 9.053 ambi=1 { N:128.928 } ::sumAvg: 4.765 atom: 503 45V-HA A 4.123 ambi=1 { CA:61.257 } atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } ::sumAvg: 4.355 atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } atom: 503 45V-HA A 4.123 ambi=1 { CA:61.257 } ::sumAvg: 4.355 atom: 504 45V-HB B 1.695 ambi=1 { CB:35.267 } atom: 513 46T-H N 8.178 ambi=1 { N:122.218 } ::sumAvg: 4.11 atom: 504 45V-HB B 1.695 ambi=1 { CB:35.267 } atom: 530 47F-HZ Z 7.092 ambi=1 { CZ:129.538 } ::sumAvg: 3.01 atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } :: atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } ::sumAvg: 3.85 atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } :: atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } ::sumAvg: 3.85 atom: 515 46T-HB B 3.789 ambi=1 { CB:69.232 } atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } :: atom: 515 46T-HB B 3.789 ambi=1 { CB:69.232 } atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } ::sumAvg: 4.225 atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } ::sumAvg: 4.655 atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } ::sumAvg: 4.655 atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } :: atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } ::sumAvg: 4.285 atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } :: atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } ::sumAvg: 4.09 atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } :: atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } ::sumAvg: 4.09 atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } :: atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } ::sumAvg: 4.955 atom: 505 45V-HG1 G1 0.392 ambi=2 { CG1:22.302 } atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } :: atom: 506 45V-HG2 G2 0.631 ambi=2 { CG2:20.996 } atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } ::sumAvg: 2.835 atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } atom: 513 46T-H N 8.178 ambi=1 { N:122.218 } ::sumAvg: 3.78 atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } ::sumAvg: 4.585 atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } ::sumAvg: 4.585 atom: 514 46T-HA A 5.211 ambi=1 { CA:61.843 } atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } ::sumAvg: 3.86 atom: 515 46T-HB B 3.789 ambi=1 { CB:69.232 } atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } ::sumAvg: 4.165 atom: 515 46T-HB B 3.789 ambi=1 { CB:69.232 } atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } ::sumAvg: 4.83 atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 515 46T-HB B 3.789 ambi=1 { CB:69.232 } ::sumAvg: 4.83 atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } ::sumAvg: 3.585 atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } ::sumAvg: 3.585 atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } ::sumAvg: 4.675 atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } ::sumAvg: 4.675 atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } ::sumAvg: 4.765 atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } ::sumAvg: 4.735 atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } ::sumAvg: 4.405 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } ::sumAvg: 4.405 atom: 542 48R-HG2 G 1.9 ambi=2 { CG:28.169 } atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } :: atom: 543 48R-HG3 G 1.708 ambi=2 { CG:28.169 } atom: 516 46T-HG2 G2 1.012 ambi=1 { CG2:22.266 } ::sumAvg: 4.95 atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } ::sumAvg: 2.945 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } ::sumAvg: 4.98 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 522 47F-H N 8.91 ambi=1 { N:123.683 } ::sumAvg: 3.445 atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } :: atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 525 47F-HB3 B 3.45 ambi=1 { CB:44.197 } ::sumAvg: 2.475 atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } ::sumAvg: 2.76 atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } ::sumAvg: 4.61 atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } ::sumAvg: 2.4 atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 540 48R-HB2 B 1.83 ambi=1 { CB:30.633 } ::sumAvg: 4.8 atom: 540 48R-HB2 B 1.83 ambi=1 { CB:30.633 } atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } ::sumAvg: 4.8 atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 542 48R-HG2 G 1.9 ambi=2 { CG:28.169 } :: atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 543 48R-HG3 G 1.708 ambi=2 { CG:28.169 } ::sumAvg: 4.12 atom: 542 48R-HG2 G 1.9 ambi=2 { CG:28.169 } atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } :: atom: 543 48R-HG3 G 1.708 ambi=2 { CG:28.169 } atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } ::sumAvg: 4.12 atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } ::sumAvg: 4.22 atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } ::sumAvg: 4.22 atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } :: atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 4.64 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 523 47F-HA A 4.856 ambi=1 { CA:56.674 } ::sumAvg: 4.64 atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } :: atom: 525 47F-HB3 B 3.45 ambi=1 { CB:44.197 } atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } ::sumAvg: 4.375 atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } :: atom: 525 47F-HB3 B 3.45 ambi=1 { CB:44.197 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } ::sumAvg: 4.685 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } :: atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 525 47F-HB3 B 3.45 ambi=1 { CB:44.197 } ::sumAvg: 4.685 atom: 525 47F-HB3 B 3.45 ambi=1 { CB:44.197 } atom: 540 48R-HB2 B 1.83 ambi=1 { CB:30.633 } ::sumAvg: 4.465 atom: 540 48R-HB2 B 1.83 ambi=1 { CB:30.633 } atom: 525 47F-HB3 B 3.45 ambi=1 { CB:44.197 } ::sumAvg: 4.465 atom: 525 47F-HB3 B 3.45 ambi=1 { CB:44.197 } atom: 574 51E-H N 7.82 ambi=1 { N:120.614 } ::sumAvg: 4.575 atom: 525 47F-HB3 B 3.45 ambi=1 { CB:44.197 } atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } ::sumAvg: 2.58 atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } atom: 525 47F-HB3 B 3.45 ambi=1 { CB:44.197 } ::sumAvg: 4.44 atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } atom: 587 52L-HB2 B 1.757 ambi=1 { CB:47.265 } ::sumAvg: 4.91 atom: 587 52L-HB2 B 1.757 ambi=1 { CB:47.265 } atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } ::sumAvg: 4.91 atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } atom: 524 47F-HB2 B 2.398 ambi=1 { CB:44.197 } :: atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } atom: 525 47F-HB3 B 3.45 ambi=1 { CB:44.197 } ::sumAvg: 2.665 atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } atom: 526 47F-QD D 7.18 ambi=3 { CD1:131.899 } ::sumAvg: 4.255 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 528 47F-QE E 7.393 ambi=3 { CE1:131.232 } ::sumAvg: 3.885 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } ::sumAvg: 2.88 atom: 544 48R-HD2 D 3.282 ambi=2 { CD:43.327 } atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } :: atom: 545 48R-HD3 D 3.229 ambi=2 { CD:43.327 } atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } ::sumAvg: 4.97 atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } ::sumAvg: 2.63 atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } ::sumAvg: 3.46 atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } ::sumAvg: 4.29 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 538 48R-H N 9.253 ambi=1 { N:119.79 } ::sumAvg: 4.62 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 540 48R-HB2 B 1.83 ambi=1 { CB:30.633 } :: atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 541 48R-HB3 B 2.134 ambi=1 { CB:30.633 } ::sumAvg: 2.45 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 542 48R-HG2 G 1.9 ambi=2 { CG:28.169 } :: atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 543 48R-HG3 G 1.708 ambi=2 { CG:28.169 } ::sumAvg: 2.465 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 544 48R-HD2 D 3.282 ambi=2 { CD:43.327 } :: atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 545 48R-HD3 D 3.229 ambi=2 { CD:43.327 } ::sumAvg: 4.285 atom: 544 48R-HD2 D 3.282 ambi=2 { CD:43.327 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } :: atom: 545 48R-HD3 D 3.229 ambi=2 { CD:43.327 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } ::sumAvg: 4.285 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 552 49L-H N 8.069 ambi=1 { N:121.403 } ::sumAvg: 2.3 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } ::sumAvg: 4.275 atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } ::sumAvg: 4.275 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 554 49L-HB2 B 1.722 ambi=1 { CB:40.688 } ::sumAvg: 4.51 atom: 554 49L-HB2 B 1.722 ambi=1 { CB:40.688 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } ::sumAvg: 4.51 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } ::sumAvg: 3.925 atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } ::sumAvg: 3.925 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 557 49L-HD1 D1 0.865 ambi=2 { CD1:25.355 } :: atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 558 49L-HD2 D2 0.737 ambi=2 { CD2:23.181 } ::sumAvg: 4.635 atom: 557 49L-HD1 D1 0.865 ambi=2 { CD1:25.355 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } :: atom: 558 49L-HD2 D2 0.737 ambi=2 { CD2:23.181 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } ::sumAvg: 4.635 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 566 50S-H N 7.858 ambi=1 { N:108.609 } ::sumAvg: 4.03 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 574 51E-H N 7.82 ambi=1 { N:120.614 } ::sumAvg: 4.375 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } ::sumAvg: 4.525 atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } ::sumAvg: 4.525 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } ::sumAvg: 4.87 atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } ::sumAvg: 4.87 atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } :: atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 4.615 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 539 48R-HA A 4.671 ambi=1 { CA:56.972 } ::sumAvg: 4.615 atom: 541 48R-HB3 B 2.134 ambi=1 { CB:30.633 } atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } ::sumAvg: 4.815 atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } atom: 541 48R-HB3 B 2.134 ambi=1 { CB:30.633 } ::sumAvg: 4.815 atom: 554 49L-HB2 B 1.722 ambi=1 { CB:40.688 } atom: 541 48R-HB3 B 2.134 ambi=1 { CB:30.633 } ::sumAvg: 4.245 atom: 541 48R-HB3 B 2.134 ambi=1 { CB:30.633 } atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } ::sumAvg: 4.985 atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } atom: 541 48R-HB3 B 2.134 ambi=1 { CB:30.633 } ::sumAvg: 4.985 atom: 569 50S-HB3 B 3.867 ambi=1 { CB:62.312 } atom: 541 48R-HB3 B 2.134 ambi=1 { CB:30.633 } ::sumAvg: 4.2 atom: 540 48R-HB2 B 1.83 ambi=1 { CB:30.633 } atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } ::sumAvg: 4.815 atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } atom: 540 48R-HB2 B 1.83 ambi=1 { CB:30.633 } ::sumAvg: 4.815 atom: 540 48R-HB2 B 1.83 ambi=1 { CB:30.633 } atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } ::sumAvg: 2.975 atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } atom: 540 48R-HB2 B 1.83 ambi=1 { CB:30.633 } ::sumAvg: 2.975 atom: 542 48R-HG2 G 1.9 ambi=2 { CG:28.169 } atom: 552 49L-H N 8.069 ambi=1 { N:121.403 } :: atom: 543 48R-HG3 G 1.708 ambi=2 { CG:28.169 } atom: 552 49L-H N 8.069 ambi=1 { N:121.403 } ::sumAvg: 3.935 atom: 542 48R-HG2 G 1.9 ambi=2 { CG:28.169 } atom: 566 50S-H N 7.858 ambi=1 { N:108.609 } :: atom: 543 48R-HG3 G 1.708 ambi=2 { CG:28.169 } atom: 566 50S-H N 7.858 ambi=1 { N:108.609 } ::sumAvg: 4.915 atom: 542 48R-HG2 G 1.9 ambi=2 { CG:28.169 } atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } :: atom: 543 48R-HG3 G 1.708 ambi=2 { CG:28.169 } atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } ::sumAvg: 4.655 atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } atom: 542 48R-HG2 G 1.9 ambi=2 { CG:28.169 } :: atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } atom: 543 48R-HG3 G 1.708 ambi=2 { CG:28.169 } ::sumAvg: 4.655 atom: 542 48R-HG2 G 1.9 ambi=2 { CG:28.169 } atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } :: atom: 543 48R-HG3 G 1.708 ambi=2 { CG:28.169 } atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } ::sumAvg: 4.195 atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } atom: 542 48R-HG2 G 1.9 ambi=2 { CG:28.169 } :: atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } atom: 543 48R-HG3 G 1.708 ambi=2 { CG:28.169 } ::sumAvg: 4.195 atom: 544 48R-HD2 D 3.282 ambi=2 { CD:43.327 } atom: 552 49L-H N 8.069 ambi=1 { N:121.403 } :: atom: 545 48R-HD3 D 3.229 ambi=2 { CD:43.327 } atom: 552 49L-H N 8.069 ambi=1 { N:121.403 } ::sumAvg: 4.925 atom: 544 48R-HD2 D 3.282 ambi=2 { CD:43.327 } atom: 566 50S-H N 7.858 ambi=1 { N:108.609 } :: atom: 545 48R-HD3 D 3.229 ambi=2 { CD:43.327 } atom: 566 50S-H N 7.858 ambi=1 { N:108.609 } ::sumAvg: 4.715 atom: 544 48R-HD2 D 3.282 ambi=2 { CD:43.327 } atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } :: atom: 545 48R-HD3 D 3.229 ambi=2 { CD:43.327 } atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } ::sumAvg: 4.255 atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } atom: 544 48R-HD2 D 3.282 ambi=2 { CD:43.327 } :: atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } atom: 545 48R-HD3 D 3.229 ambi=2 { CD:43.327 } ::sumAvg: 4.255 atom: 569 50S-HB3 B 3.867 ambi=1 { CB:62.312 } atom: 552 49L-H N 8.069 ambi=1 { N:121.403 } ::sumAvg: 4.78 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 552 49L-H N 8.069 ambi=1 { N:121.403 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 552 49L-H N 8.069 ambi=1 { N:121.403 } ::sumAvg: 4.5 atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } ::sumAvg: 2.93 atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } atom: 567 50S-HA A 4.269 ambi=1 { CA:59.496 } ::sumAvg: 4.71 atom: 567 50S-HA A 4.269 ambi=1 { CA:59.496 } atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } ::sumAvg: 4.71 atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } ::sumAvg: 4.975 atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } ::sumAvg: 4.975 atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } atom: 585 52L-H N 7.301 ambi=1 { N:116.595 } ::sumAvg: 3.465 atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } ::sumAvg: 3.535 atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } ::sumAvg: 3.535 atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } :: atom: 553 49L-HA A 3.799 ambi=1 { CA:58.572 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 2.6 atom: 554 49L-HB2 B 1.722 ambi=1 { CB:40.688 } atom: 567 50S-HA A 4.269 ambi=1 { CA:59.496 } :: atom: 555 49L-HB3 B 1.472 ambi=1 { CB:40.688 } atom: 567 50S-HA A 4.269 ambi=1 { CA:59.496 } ::sumAvg: 4.445 atom: 567 50S-HA A 4.269 ambi=1 { CA:59.496 } atom: 554 49L-HB2 B 1.722 ambi=1 { CB:40.688 } :: atom: 567 50S-HA A 4.269 ambi=1 { CA:59.496 } atom: 555 49L-HB3 B 1.472 ambi=1 { CB:40.688 } ::sumAvg: 4.445 atom: 554 49L-HB2 B 1.722 ambi=1 { CB:40.688 } atom: 569 50S-HB3 B 3.867 ambi=1 { CB:62.312 } ::sumAvg: 4.32 atom: 569 50S-HB3 B 3.867 ambi=1 { CB:62.312 } atom: 554 49L-HB2 B 1.722 ambi=1 { CB:40.688 } ::sumAvg: 4.32 atom: 555 49L-HB3 B 1.472 ambi=1 { CB:40.688 } atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } :: atom: 555 49L-HB3 B 1.472 ambi=1 { CB:40.688 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 4.73 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 555 49L-HB3 B 1.472 ambi=1 { CB:40.688 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 555 49L-HB3 B 1.472 ambi=1 { CB:40.688 } ::sumAvg: 4.73 atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } atom: 566 50S-H N 7.858 ambi=1 { N:108.609 } ::sumAvg: 4.5 atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } :: atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 4.235 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 556 49L-HG G 1.387 ambi=1 { CG:27.175 } ::sumAvg: 4.235 atom: 557 49L-HD1 D1 0.865 ambi=2 { CD1:25.355 } atom: 585 52L-H N 7.301 ambi=1 { N:116.595 } :: atom: 558 49L-HD2 D2 0.737 ambi=2 { CD2:23.181 } atom: 585 52L-H N 7.301 ambi=1 { N:116.595 } ::sumAvg: 4.85 atom: 557 49L-HD1 D1 0.865 ambi=2 { CD1:25.355 } atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } :: atom: 558 49L-HD2 D2 0.737 ambi=2 { CD2:23.181 } atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } ::sumAvg: 4.395 atom: 557 49L-HD1 D1 0.865 ambi=2 { CD1:25.355 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } :: atom: 558 49L-HD2 D2 0.737 ambi=2 { CD2:23.181 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 2.45 atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 557 49L-HD1 D1 0.865 ambi=2 { CD1:25.355 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 558 49L-HD2 D2 0.737 ambi=2 { CD2:23.181 } ::sumAvg: 2.45 atom: 567 50S-HA A 4.269 ambi=1 { CA:59.496 } atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } ::sumAvg: 4.905 atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } atom: 567 50S-HA A 4.269 ambi=1 { CA:59.496 } ::sumAvg: 4.905 atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } atom: 568 50S-HB2 B 4.099 ambi=1 { CB:62.312 } :: atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } atom: 569 50S-HB3 B 3.867 ambi=1 { CB:62.312 } ::sumAvg: 4.355 atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } atom: 574 51E-H N 7.82 ambi=1 { N:120.614 } ::sumAvg: 4.905 atom: 587 52L-HB2 B 1.757 ambi=1 { CB:47.265 } atom: 574 51E-H N 7.82 ambi=1 { N:120.614 } ::sumAvg: 4.185 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 574 51E-H N 7.82 ambi=1 { N:120.614 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 574 51E-H N 7.82 ambi=1 { N:120.614 } ::sumAvg: 4.655 atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } atom: 585 52L-H N 7.301 ambi=1 { N:116.595 } ::sumAvg: 3.25 atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } ::sumAvg: 4.545 atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } ::sumAvg: 4.545 atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } ::sumAvg: 4.845 atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } ::sumAvg: 4.845 atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } :: atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } ::sumAvg: 4.93 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 575 51E-HA A 4.396 ambi=1 { CA:56.235 } ::sumAvg: 4.93 atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } atom: 585 52L-H N 7.301 ambi=1 { N:116.595 } ::sumAvg: 3.34 atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } ::sumAvg: 4.125 atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } ::sumAvg: 4.125 atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } atom: 587 52L-HB2 B 1.757 ambi=1 { CB:47.265 } ::sumAvg: 4.695 atom: 587 52L-HB2 B 1.757 ambi=1 { CB:47.265 } atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } ::sumAvg: 4.695 atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } ::sumAvg: 3.07 atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } ::sumAvg: 3.07 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 576 51E-QB B 2.495 ambi=2 { CB:30.627 } ::sumAvg: 3.54 atom: 578 51E-QG G 2.369 ambi=2 { CG:37.927 } atom: 585 52L-H N 7.301 ambi=1 { N:116.595 } ::sumAvg: 4.345 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 585 52L-H N 7.301 ambi=1 { N:116.595 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 585 52L-H N 7.301 ambi=1 { N:116.595 } ::sumAvg: 3.785 atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } atom: 585 52L-H N 7.301 ambi=1 { N:116.595 } ::sumAvg: 4.955 atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } ::sumAvg: 2.995 atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } ::sumAvg: 4.435 atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } ::sumAvg: 4.435 atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } atom: 601 53E-HB2 B 1.913 ambi=2 { CB:33.338 } :: atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } atom: 602 53E-HB3 B 1.815 ambi=2 { CB:33.338 } ::sumAvg: 4.52 atom: 601 53E-HB2 B 1.913 ambi=2 { CB:33.338 } atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } :: atom: 602 53E-HB3 B 1.815 ambi=2 { CB:33.338 } atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } ::sumAvg: 4.52 atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } atom: 603 53E-QG G 2.13 ambi=2 { CG:35.465 } ::sumAvg: 4.95 atom: 603 53E-QG G 2.13 ambi=2 { CG:35.465 } atom: 586 52L-HA A 5.287 ambi=1 { CA:52.587 } ::sumAvg: 4.95 atom: 587 52L-HB2 B 1.757 ambi=1 { CB:47.265 } atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } :: atom: 588 52L-HB3 B 0.887 ambi=1 { CB:47.265 } atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } ::sumAvg: 4.23 atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } atom: 587 52L-HB2 B 1.757 ambi=1 { CB:47.265 } :: atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } atom: 588 52L-HB3 B 0.887 ambi=1 { CB:47.265 } ::sumAvg: 4.23 atom: 589 52L-HG G 1.613 ambi=1 { CG:25.805 } atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } ::sumAvg: 4.935 atom: 590 52L-HD1 D1 0.672 ambi=2 { CD1:26.725 } atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } :: atom: 591 52L-HD2 D2 0.299 ambi=2 { CD2:22.54 } atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } ::sumAvg: 3.405 atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } ::sumAvg: 2.925 atom: 611 54A-HA A 4.629 ambi=1 { CA:52.493 } atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } ::sumAvg: 4.8 atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 599 53E-H N 8.53 ambi=1 { N:117.786 } ::sumAvg: 4.705 atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } atom: 603 53E-QG G 2.13 ambi=2 { CG:35.465 } ::sumAvg: 2.865 atom: 600 53E-HA A 4.623 ambi=1 { CA:54.189 } atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } ::sumAvg: 4 atom: 601 53E-HB2 B 1.913 ambi=2 { CB:33.338 } atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } :: atom: 602 53E-HB3 B 1.815 ambi=2 { CB:33.338 } atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } ::sumAvg: 4.945 atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } atom: 601 53E-HB2 B 1.913 ambi=2 { CB:33.338 } :: atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } atom: 602 53E-HB3 B 1.815 ambi=2 { CB:33.338 } ::sumAvg: 4.945 atom: 603 53E-QG G 2.13 ambi=2 { CG:35.465 } atom: 610 54A-H N 8.779 ambi=1 { N:126.778 } ::sumAvg: 3.12 atom: 611 54A-HA A 4.629 ambi=1 { CA:52.493 } atom: 603 53E-QG G 2.13 ambi=2 { CG:35.465 } ::sumAvg: 4.355 atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } atom: 603 53E-QG G 2.13 ambi=2 { CG:35.465 } ::sumAvg: 4.14 atom: 603 53E-QG G 2.13 ambi=2 { CG:35.465 } atom: 617 55V-H N 8.289 ambi=1 { N:120.191 } ::sumAvg: 4.905 atom: 618 55V-HA A 4.212 ambi=1 { CA:60.843 } atom: 603 53E-QG G 2.13 ambi=2 { CG:35.465 } ::sumAvg: 4.32 atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 603 53E-QG G 2.13 ambi=2 { CG:35.465 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 603 53E-QG G 2.13 ambi=2 { CG:35.465 } ::sumAvg: 3.415 atom: 611 54A-HA A 4.629 ambi=1 { CA:52.493 } atom: 610 54A-H N 8.779 ambi=1 { N:126.778 } ::sumAvg: 2.835 atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 610 54A-H N 8.779 ambi=1 { N:126.778 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 610 54A-H N 8.779 ambi=1 { N:126.778 } ::sumAvg: 4.77 atom: 611 54A-HA A 4.629 ambi=1 { CA:52.493 } atom: 618 55V-HA A 4.212 ambi=1 { CA:60.843 } ::sumAvg: 4.365 atom: 618 55V-HA A 4.212 ambi=1 { CA:60.843 } atom: 611 54A-HA A 4.629 ambi=1 { CA:52.493 } ::sumAvg: 4.365 atom: 611 54A-HA A 4.629 ambi=1 { CA:52.493 } atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } :: atom: 611 54A-HA A 4.629 ambi=1 { CA:52.493 } atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } ::sumAvg: 3.585 atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } atom: 618 55V-HA A 4.212 ambi=1 { CA:60.843 } ::sumAvg: 4.13 atom: 618 55V-HA A 4.212 ambi=1 { CA:60.843 } atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } ::sumAvg: 4.13 atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } :: atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } ::sumAvg: 4.32 atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 612 54A-HB B 1.329 ambi=1 { CB:18.381 } ::sumAvg: 4.32 atom: 618 55V-HA A 4.212 ambi=1 { CA:60.843 } atom: 629 56K-HA A 4.62 ambi=1 { CA:53.826 } ::sumAvg: 4.415 atom: 629 56K-HA A 4.62 ambi=1 { CA:53.826 } atom: 618 55V-HA A 4.212 ambi=1 { CA:60.843 } ::sumAvg: 4.415 atom: 618 55V-HA A 4.212 ambi=1 { CA:60.843 } atom: 630 56K-HB2 B 1.819 ambi=2 { CB:32.35 } :: atom: 618 55V-HA A 4.212 ambi=1 { CA:60.843 } atom: 631 56K-HB3 B 1.718 ambi=2 { CB:32.35 } ::sumAvg: 4.665 atom: 630 56K-HB2 B 1.819 ambi=2 { CB:32.35 } atom: 618 55V-HA A 4.212 ambi=1 { CA:60.843 } :: atom: 631 56K-HB3 B 1.718 ambi=2 { CB:32.35 } atom: 618 55V-HA A 4.212 ambi=1 { CA:60.843 } ::sumAvg: 4.665 atom: 618 55V-HA A 4.212 ambi=1 { CA:60.843 } atom: 632 56K-QG G 1.468 ambi=2 { CG:24.518 } ::sumAvg: 4.85 atom: 632 56K-QG G 1.468 ambi=2 { CG:24.518 } atom: 618 55V-HA A 4.212 ambi=1 { CA:60.843 } ::sumAvg: 4.85 atom: 619 55V-HB B 1.891 ambi=1 { CB:33.682 } atom: 632 56K-QG G 1.468 ambi=2 { CG:24.518 } ::sumAvg: 4.82 atom: 632 56K-QG G 1.468 ambi=2 { CG:24.518 } atom: 619 55V-HB B 1.891 ambi=1 { CB:33.682 } ::sumAvg: 4.82 atom: 629 56K-HA A 4.62 ambi=1 { CA:53.826 } atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } :: atom: 629 56K-HA A 4.62 ambi=1 { CA:53.826 } atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } ::sumAvg: 4.115 atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 630 56K-HB2 B 1.819 ambi=2 { CB:32.35 } :: atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 631 56K-HB3 B 1.718 ambi=2 { CB:32.35 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 630 56K-HB2 B 1.819 ambi=2 { CB:32.35 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 631 56K-HB3 B 1.718 ambi=2 { CB:32.35 } ::sumAvg: 4.07 atom: 630 56K-HB2 B 1.819 ambi=2 { CB:32.35 } atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } :: atom: 631 56K-HB3 B 1.718 ambi=2 { CB:32.35 } atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } :: atom: 630 56K-HB2 B 1.819 ambi=2 { CB:32.35 } atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } :: atom: 631 56K-HB3 B 1.718 ambi=2 { CB:32.35 } atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } ::sumAvg: 4.07 atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 632 56K-QG G 1.468 ambi=2 { CG:24.518 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 632 56K-QG G 1.468 ambi=2 { CG:24.518 } ::sumAvg: 3.69 atom: 632 56K-QG G 1.468 ambi=2 { CG:24.518 } atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } :: atom: 632 56K-QG G 1.468 ambi=2 { CG:24.518 } atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } ::sumAvg: 3.69 atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 634 56K-QD D 1.698 ambi=2 { CD:29.135 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 634 56K-QD D 1.698 ambi=2 { CD:29.135 } ::sumAvg: 4.715 atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 649 57P-HD2 D 3.853 ambi=2 { CD:50.67 } :: atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } atom: 650 57P-HD3 D 3.696 ambi=2 { CD:50.67 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 649 57P-HD2 D 3.853 ambi=2 { CD:50.67 } :: atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } atom: 650 57P-HD3 D 3.696 ambi=2 { CD:50.67 } ::sumAvg: 4.765 atom: 649 57P-HD2 D 3.853 ambi=2 { CD:50.67 } atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } :: atom: 650 57P-HD3 D 3.696 ambi=2 { CD:50.67 } atom: 620 55V-HG1 G1 0.792 ambi=2 { CG1:21.004 } :: atom: 649 57P-HD2 D 3.853 ambi=2 { CD:50.67 } atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } :: atom: 650 57P-HD3 D 3.696 ambi=2 { CD:50.67 } atom: 621 55V-HG2 G2 0.671 ambi=2 { CG2:20.113 } ::sumAvg: 4.765 atom: 629 56K-HA A 4.62 ambi=1 { CA:53.826 } atom: 628 56K-H N 8.306 ambi=1 { N:124.982 } ::sumAvg: 2.575 atom: 632 56K-QG G 1.468 ambi=2 { CG:24.518 } atom: 628 56K-H N 8.306 ambi=1 { N:124.982 } ::sumAvg: 3.175 atom: 649 57P-HD2 D 3.853 ambi=2 { CD:50.67 } atom: 628 56K-H N 8.306 ambi=1 { N:124.982 } :: atom: 650 57P-HD3 D 3.696 ambi=2 { CD:50.67 } atom: 628 56K-H N 8.306 ambi=1 { N:124.982 } ::sumAvg: 4.28 atom: 629 56K-HA A 4.62 ambi=1 { CA:53.826 } atom: 632 56K-QG G 1.468 ambi=2 { CG:24.518 } ::sumAvg: 2.405 atom: 632 56K-QG G 1.468 ambi=2 { CG:24.518 } atom: 629 56K-HA A 4.62 ambi=1 { CA:53.826 } ::sumAvg: 2.405 atom: 629 56K-HA A 4.62 ambi=1 { CA:53.826 } atom: 634 56K-QD D 1.698 ambi=2 { CD:29.135 } ::sumAvg: 3.995 atom: 634 56K-QD D 1.698 ambi=2 { CD:29.135 } atom: 629 56K-HA A 4.62 ambi=1 { CA:53.826 } ::sumAvg: 3.995 atom: 629 56K-HA A 4.62 ambi=1 { CA:53.826 } atom: 636 56K-QE E 2.939 ambi=2 { CE:42.002 } ::sumAvg: 4.595 atom: 636 56K-QE E 2.939 ambi=2 { CE:42.002 } atom: 629 56K-HA A 4.62 ambi=1 { CA:53.826 } ::sumAvg: 4.595 atom: 629 56K-HA A 4.62 ambi=1 { CA:53.826 } atom: 647 57P-QG G 2.025 ambi=2 { CG:27.15 } ::sumAvg: 3.945 atom: 647 57P-QG G 2.025 ambi=2 { CG:27.15 } atom: 629 56K-HA A 4.62 ambi=1 { CA:53.826 } ::sumAvg: 3.945 atom: 630 56K-HB2 B 1.819 ambi=2 { CB:32.35 } atom: 636 56K-QE E 2.939 ambi=2 { CE:42.002 } :: atom: 631 56K-HB3 B 1.718 ambi=2 { CB:32.35 } atom: 636 56K-QE E 2.939 ambi=2 { CE:42.002 } ::sumAvg: 3.955 atom: 632 56K-QG G 1.468 ambi=2 { CG:24.518 } atom: 636 56K-QE E 2.939 ambi=2 { CE:42.002 } ::sumAvg: 2.125 atom: 636 56K-QE E 2.939 ambi=2 { CE:42.002 } atom: 632 56K-QG G 1.468 ambi=2 { CG:24.518 } ::sumAvg: 2.125 atom: 632 56K-QG G 1.468 ambi=2 { CG:24.518 } atom: 647 57P-QG G 2.025 ambi=2 { CG:27.15 } ::sumAvg: 4.26 atom: 647 57P-QG G 2.025 ambi=2 { CG:27.15 } atom: 632 56K-QG G 1.468 ambi=2 { CG:24.518 } ::sumAvg: 4.26 atom: 632 56K-QG G 1.468 ambi=2 { CG:24.518 } atom: 649 57P-HD2 D 3.853 ambi=2 { CD:50.67 } :: atom: 632 56K-QG G 1.468 ambi=2 { CG:24.518 } atom: 650 57P-HD3 D 3.696 ambi=2 { CD:50.67 } ::sumAvg: 2.925 atom: 649 57P-HD2 D 3.853 ambi=2 { CD:50.67 } atom: 632 56K-QG G 1.468 ambi=2 { CG:24.518 } :: atom: 650 57P-HD3 D 3.696 ambi=2 { CD:50.67 } atom: 632 56K-QG G 1.468 ambi=2 { CG:24.518 } ::sumAvg: 2.925 atom: 634 56K-QD D 1.698 ambi=2 { CD:29.135 } atom: 649 57P-HD2 D 3.853 ambi=2 { CD:50.67 } :: atom: 634 56K-QD D 1.698 ambi=2 { CD:29.135 } atom: 650 57P-HD3 D 3.696 ambi=2 { CD:50.67 } ::sumAvg: 4.42 atom: 649 57P-HD2 D 3.853 ambi=2 { CD:50.67 } atom: 634 56K-QD D 1.698 ambi=2 { CD:29.135 } :: atom: 650 57P-HD3 D 3.696 ambi=2 { CD:50.67 } atom: 634 56K-QD D 1.698 ambi=2 { CD:29.135 } ::sumAvg: 4.42 atom: 636 56K-QE E 2.939 ambi=2 { CE:42.002 } atom: 649 57P-HD2 D 3.853 ambi=2 { CD:50.67 } :: atom: 636 56K-QE E 2.939 ambi=2 { CE:42.002 } atom: 650 57P-HD3 D 3.696 ambi=2 { CD:50.67 } ::sumAvg: 4.84 atom: 649 57P-HD2 D 3.853 ambi=2 { CD:50.67 } atom: 636 56K-QE E 2.939 ambi=2 { CE:42.002 } :: atom: 650 57P-HD3 D 3.696 ambi=2 { CD:50.67 } atom: 636 56K-QE E 2.939 ambi=2 { CE:42.002 } ::sumAvg: 4.84 atom: 644 57P-HA A 4.441 ambi=1 { CA:62.753 } atom: 649 57P-HD2 D 3.853 ambi=2 { CD:50.67 } :: atom: 644 57P-HA A 4.441 ambi=1 { CA:62.753 } atom: 650 57P-HD3 D 3.696 ambi=2 { CD:50.67 } ::sumAvg: 3.64 atom: 649 57P-HD2 D 3.853 ambi=2 { CD:50.67 } atom: 644 57P-HA A 4.441 ambi=1 { CA:62.753 } :: atom: 650 57P-HD3 D 3.696 ambi=2 { CD:50.67 } atom: 644 57P-HA A 4.441 ambi=1 { CA:62.753 } ::sumAvg: 3.64 atom: 644 57P-HA A 4.441 ambi=1 { CA:62.753 } atom: 659 58I-HG12 G1 1.478 ambi=2 { CG1:27.177 } :: atom: 644 57P-HA A 4.441 ambi=1 { CA:62.753 } atom: 660 58I-HG13 G1 1.17 ambi=2 { CG1:27.177 } ::sumAvg: 4.95 atom: 659 58I-HG12 G1 1.478 ambi=2 { CG1:27.177 } atom: 644 57P-HA A 4.441 ambi=1 { CA:62.753 } :: atom: 660 58I-HG13 G1 1.17 ambi=2 { CG1:27.177 } atom: 644 57P-HA A 4.441 ambi=1 { CA:62.753 } ::sumAvg: 4.95 atom: 644 57P-HA A 4.441 ambi=1 { CA:62.753 } atom: 661 58I-HG2 G2 0.849 ambi=1 { CG2:17.472 } ::sumAvg: 4.5 atom: 661 58I-HG2 G2 0.849 ambi=1 { CG2:17.472 } atom: 644 57P-HA A 4.441 ambi=1 { CA:62.753 } ::sumAvg: 4.5 atom: 645 57P-HB2 B 1.862 ambi=1 { CB:31.969 } atom: 657 58I-HA A 4.095 ambi=1 { CA:61.1 } ::sumAvg: 4.665 atom: 647 57P-QG G 2.025 ambi=2 { CG:27.15 } atom: 656 58I-H N 8.324 ambi=1 { N:121.128 } ::sumAvg: 4.485 atom: 657 58I-HA A 4.095 ambi=1 { CA:61.1 } atom: 656 58I-H N 8.324 ambi=1 { N:121.128 } ::sumAvg: 2.885 atom: 662 58I-HD1 D1 0.835 ambi=1 { CD1:12.712 } atom: 656 58I-H N 8.324 ambi=1 { N:121.128 } ::sumAvg: 3.93 atom: 672 59L-HB2 B 1.564 ambi=2 { CB:42.237 } atom: 657 58I-HA A 4.095 ambi=1 { CA:61.1 } :: atom: 673 59L-HB3 B 1.474 ambi=2 { CB:42.237 } atom: 657 58I-HA A 4.095 ambi=1 { CA:61.1 } ::sumAvg: 4.555 atom: 675 59L-HD1 D1 0.884 ambi=2 { CD1:24.758 } atom: 657 58I-HA A 4.095 ambi=1 { CA:61.1 } :: atom: 676 59L-HD2 D2 0.819 ambi=2 { CD2:23.218 } atom: 657 58I-HA A 4.095 ambi=1 { CA:61.1 } ::sumAvg: 4.945 atom: 659 58I-HG12 G1 1.478 ambi=2 { CG1:27.177 } atom: 670 59L-H N 8.238 ambi=1 { N:125.747 } :: atom: 660 58I-HG13 G1 1.17 ambi=2 { CG1:27.177 } atom: 670 59L-H N 8.238 ambi=1 { N:125.747 } ::sumAvg: 3.39 atom: 661 58I-HG2 G2 0.849 ambi=1 { CG2:17.472 } atom: 671 59L-HA A 4.33 ambi=1 { CA:54.721 } ::sumAvg: 4.61 atom: 661 58I-HG2 G2 0.849 ambi=1 { CG2:17.472 } atom: 674 59L-HG G 1.537 ambi=1 { CG:26.749 } ::sumAvg: 4.695 atom: 662 58I-HD1 D1 0.835 ambi=1 { CD1:12.712 } atom: 670 59L-H N 8.238 ambi=1 { N:125.747 } ::sumAvg: 4.58 atom: 675 59L-HD1 D1 0.884 ambi=2 { CD1:24.758 } atom: 670 59L-H N 8.238 ambi=1 { N:125.747 } :: atom: 676 59L-HD2 D2 0.819 ambi=2 { CD2:23.218 } atom: 670 59L-H N 8.238 ambi=1 { N:125.747 } ::sumAvg: 3.47 atom: 674 59L-HG G 1.537 ambi=1 { CG:26.749 } atom: 671 59L-HA A 4.33 ambi=1 { CA:54.721 } ::sumAvg: 3.08 atom: 671 59L-HA A 4.33 ambi=1 { CA:54.721 } atom: 686 60E-QB B 1.847 ambi=2 { CB:30.191 } ::sumAvg: 4.465 atom: 686 60E-QB B 1.847 ambi=2 { CB:30.191 } atom: 671 59L-HA A 4.33 ambi=1 { CA:54.721 } ::sumAvg: 4.465 atom: 671 59L-HA A 4.33 ambi=1 { CA:54.721 } atom: 688 60E-QG G 2.146 ambi=2 { CG:35.675 } ::sumAvg: 4.925 atom: 688 60E-QG G 2.146 ambi=2 { CG:35.675 } atom: 671 59L-HA A 4.33 ambi=1 { CA:54.721 } ::sumAvg: 4.925 atom: 671 59L-HA A 4.33 ambi=1 { CA:54.721 } atom: 695 61H-H N 8.45 ambi=1 { N:119.627 } ::sumAvg: 4.875 atom: 672 59L-HB2 B 1.564 ambi=2 { CB:42.237 } atom: 688 60E-QG G 2.146 ambi=2 { CG:35.675 } :: atom: 673 59L-HB3 B 1.474 ambi=2 { CB:42.237 } atom: 688 60E-QG G 2.146 ambi=2 { CG:35.675 } ::sumAvg: 4.9 atom: 675 59L-HD1 D1 0.884 ambi=2 { CD1:24.758 } atom: 684 60E-H N 8.228 ambi=1 { N:121.37 } :: atom: 676 59L-HD2 D2 0.819 ambi=2 { CD2:23.218 } atom: 684 60E-H N 8.228 ambi=1 { N:121.37 } ::sumAvg: 3.405 atom: 675 59L-HD1 D1 0.884 ambi=2 { CD1:24.758 } atom: 686 60E-QB B 1.847 ambi=2 { CB:30.191 } :: atom: 676 59L-HD2 D2 0.819 ambi=2 { CD2:23.218 } atom: 686 60E-QB B 1.847 ambi=2 { CB:30.191 } ::sumAvg: 4.77 atom: 686 60E-QB B 1.847 ambi=2 { CB:30.191 } atom: 675 59L-HD1 D1 0.884 ambi=2 { CD1:24.758 } :: atom: 686 60E-QB B 1.847 ambi=2 { CB:30.191 } atom: 676 59L-HD2 D2 0.819 ambi=2 { CD2:23.218 } ::sumAvg: 4.77 atom: 675 59L-HD1 D1 0.884 ambi=2 { CD1:24.758 } atom: 688 60E-QG G 2.146 ambi=2 { CG:35.675 } :: atom: 676 59L-HD2 D2 0.819 ambi=2 { CD2:23.218 } atom: 688 60E-QG G 2.146 ambi=2 { CG:35.675 } ::sumAvg: 4.9 atom: 675 59L-HD1 D1 0.884 ambi=2 { CD1:24.758 } atom: 695 61H-H N 8.45 ambi=1 { N:119.627 } :: atom: 676 59L-HD2 D2 0.819 ambi=2 { CD2:23.218 } atom: 695 61H-H N 8.45 ambi=1 { N:119.627 } ::sumAvg: 4.82 atom: 688 60E-QG G 2.146 ambi=2 { CG:35.675 } atom: 684 60E-H N 8.228 ambi=1 { N:121.37 } ::sumAvg: 3.135 atom: 686 60E-QB B 1.847 ambi=2 { CB:30.191 } atom: 695 61H-H N 8.45 ambi=1 { N:119.627 } ::sumAvg: 3.185 atom: 688 60E-QG G 2.146 ambi=2 { CG:35.675 } atom: 695 61H-H N 8.45 ambi=1 { N:119.627 } ::sumAvg: 3.57