NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
529131 |
2lkl   |
16911 | cing | 1-original | 7 | XPLOR/CNS | distance | NOE | simple |
!@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A c13noesy.PCK 236 52 18 68 98 ! A c13c13noe.PCK 363 168 23 97 74 ! Total 599 220 41 165 172 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! ! G1 assign (resid 1 and name HA# ) (resid 2 and name HD# ) 2.5 0.7 0.2 ! A.410 at 5.03e+06 ! P2 ! L3 assign (resid 3 and name HA ) (resid 3 and name HD1# ) 4.0 2.2 1.5 ! A.309 at 8.63e+05 assign (resid 3 and name HG ) (resid 3 and name HA ) 4.0 2.2 1.0 ! A.427 at 8.32e+05 assign (resid 3 and name HA ) (resid 6 and name HE# ) 4.0 2.2 1.5 ! A.871 at 8.54e+05 ! G4 assign (resid 4 and name HA# ) (resid 6 and name HE# ) 3.0 1.2 0.8 ! A.16 at 1.55e+08 ! S5 ! M6 !assign (resid 6 and name HE# ) (resid 6 and name HA ) 3.0 1.2 0.8 ! A.14 at 1.39e+08 assign (resid 6 and name HA ) (resid 6 and name HG1 ) 4.0 2.2 1.0 ! A.612 at 1.24e+06 assign (resid 6 and name HA ) (resid 6 and name HG2 ) 4.0 2.2 1.0 ! A.611 at 9.52e+05 assign (resid 6 and name HE# ) (resid 6 and name HG1 ) 4.0 2.2 1.5 ! A.613 at 1.20e+06 ! N7 ! K8 !assign (resid 8 and name HA ) (resid 8 and name HD# ) 3.0 1.2 0.3 ! A.642 at 1.92e+06 assign (resid 8 and name HE# ) (resid 8 and name HG1 ) 4.0 2.2 1.0 ! A.637 at -1.21e+06 assign (resid 8 and name HA ) (resid 8 and name HG2 ) 4.0 2.2 1.0 ! A.640 at 1.16e+06 assign (resid 8 and name HE# ) (resid 8 and name HG2 ) 4.0 2.2 1.0 ! A.639 at -1.19e+06 assign (resid 8 and name HA ) (resid 8 and name HG1 ) 4.0 2.2 1.0 ! A.638 at 1.09e+06 assign (resid 8 and name HE# ) (resid 8 and name HA ) 4.0 2.2 2.0 ! A.628 at -5.44e+05 ! F9 assign (resid 9 and name HD# ) (resid 9 and name HA ) 4.0 2.2 1.0 ! A.201 at 3.93e+07 assign (resid 9 and name HD# ) (resid 9 and name HB1 ) 4.0 2.2 1.0 ! A.212 at 3.00e+07 assign (resid 9 and name HD# ) (resid 9 and name HB2 ) 4.0 2.2 1.0 ! A.203 at 5.84e+07 assign (resid 9 and name HB1 ) (resid 9 and name HD# ) 4.0 2.2 1.0 ! A.162 at 8.71e+05 assign (resid 9 and name HB2 ) (resid 9 and name HD# ) 4.0 2.2 1.0 ! A.163 at 1.15e+06 assign (resid 9 and name HA ) (resid 9 and name HD# ) 3.0 1.2 0.3 ! A.161 at -1.81e+06 assign (resid 9 and name HD# ) (resid 10 and name HG2# ) 4.0 2.2 2.5 ! A.86 at 1.35e+07 assign (resid 9 and name HD# ) (resid 13 and name HG2 ) 4.0 2.2 1.0 ! A.209 at 2.59e+07 assign (resid 9 and name HD# ) (resid 13 and name HB2 ) 4.0 2.2 2.0 ! A.210 at 1.66e+07 assign (resid 9 and name HD# ) (resid 13 and name HB1 ) 4.0 2.2 1.0 ! A.207 at 3.01e+07 assign (resid 9 and name HB1 ) (resid 13 and name HB2 ) 4.0 2.2 1.0 ! A.671 at -9.23e+05 assign (resid 9 and name HD# ) (resid 13 and name HA ) 4.0 2.2 2.0 ! A.404 at -5.10e+05 assign (resid 9 and name HB1 ) (resid 13 and name HB1 ) 4.0 2.2 2.0 ! A.646 at -6.99e+05 assign (resid 9 and name HA ) (resid 13 and name HG1 ) 4.0 2.2 2.0 ! A.644 at -5.03e+05 assign (resid 9 and name HD# ) (resid 14 and name HA ) 4.0 2.2 2.0 ! A.202 at 1.39e+07 assign (resid 9 and name HB1 ) (resid 14 and name HB1 ) 4.0 2.2 2.0 ! A.679 at -6.03e+05 assign (resid 9 and name HB2 ) (resid 14 and name HB1 ) 4.0 2.2 2.0 ! A.678 at -5.98e+05 assign (resid 9 and name HB2 ) (resid 14 and name HB2 ) 4.0 2.2 1.0 ! A.682 at -9.48e+05 assign (resid 9 and name HB1 ) (resid 14 and name HB2 ) 4.0 2.2 2.0 ! A.683 at -5.62e+05 assign (resid 9 and name HD# ) (resid 17 and name HD2# ) 4.0 2.2 2.5 ! A.164 at -6.83e+05 assign (resid 9 and name HD# ) (resid 58 and name HB2 ) 4.0 2.2 2.0 ! A.206 at 2.47e+07 assign (resid 9 and name HD# ) (resid 61 and name HB1 ) 4.0 2.2 2.0 ! A.166 at -6.83e+05 assign (resid 9 and name HD# ) (resid 62 and name HG2 ) 4.0 2.2 1.0 ! A.208 at 2.83e+07 assign (resid 9 and name HD# ) (resid 62 and name HA ) 4.0 2.2 2.0 ! A.653 at -6.00e+05 assign (resid 9 and name HD# ) (resid 70 and name HD1# ) 4.0 2.2 2.5 ! A.165 at -6.65e+05 ! T10 assign (resid 10 and name HG2# ) (resid 10 and name HA ) 2.5 0.7 0.7 ! A.80 at 4.34e+08 assign (resid 10 and name HA ) (resid 10 and name HG2# ) 2.5 0.7 0.7 ! A.8 at 5.16e+06 assign (resid 10 and name HB ) (resid 12 and name HB2 ) 4.0 2.2 1.0 ! A.245 at 2.52e+07 assign (resid 10 and name HG2# ) (resid 12 and name HB2 ) 4.0 2.2 1.5 ! A.84 at 4.85e+07 assign (resid 10 and name HG2# ) (resid 13 and name HG2 ) 4.0 2.2 1.5 ! A.83 at 5.12e+07 assign (resid 10 and name HG2# ) (resid 13 and name HG1 ) 4.0 2.2 1.5 ! A.82 at 6.72e+07 ! D11 assign (resid 11 and name HA ) (resid 14 and name HD1 ) 4.0 2.2 2.0 ! A.141 at 1.31e+07 assign (resid 11 and name HA ) (resid 14 and name HB1 ) 4.0 2.2 1.0 ! A.656 at 1.74e+06 ! D12 assign (resid 12 and name HA ) (resid 15 and name HB2 ) 3.0 1.2 0.3 ! A.11 at -2.21e+06 assign (resid 12 and name HA ) (resid 15 and name HB1 ) 4.0 2.2 1.0 ! A.695 at -1.13e+06 ! E13 assign (resid 13 and name HG2 ) (resid 13 and name HA ) 3.0 1.2 0.3 ! A.438 at -2.50e+06 assign (resid 13 and name HA ) (resid 13 and name HG1 ) 4.0 2.2 1.0 ! A.667 at -1.23e+06 assign (resid 13 and name HB2 ) (resid 14 and name HE3 ) 4.0 2.2 2.0 ! A.686 at 6.01e+05 assign (resid 13 and name HA ) (resid 16 and name HB# ) 3.0 1.2 0.3 ! A.14 at 2.90e+06 assign (resid 13 and name HA ) (resid 16 and name HG# ) 4.0 2.2 1.0 ! A.439 at -1.19e+06 ! W14 assign (resid 14 and name HD1 ) (resid 14 and name HB1 ) 4.0 2.2 2.0 ! A.224 at -5.42e+05 assign (resid 14 and name HE3 ) (resid 14 and name HA ) 4.0 2.2 2.0 ! A.189 at 1.82e+07 assign (resid 14 and name HZ2 ) (resid 14 and name HH2 ) 4.0 2.2 1.0 ! A.147 at 8.08e+07 assign (resid 14 and name HD1 ) (resid 14 and name HB2 ) 4.0 2.2 2.0 ! A.225 at -6.72e+05 assign (resid 14 and name HA ) (resid 14 and name HE3 ) 4.0 2.2 1.0 ! A.384 at -1.14e+06 assign (resid 14 and name HA ) (resid 14 and name HZ3 ) 4.0 2.2 2.0 ! A.388 at -6.44e+05 assign (resid 14 and name HE3 ) (resid 17 and name HD2# ) 4.0 2.2 2.5 ! A.387 at -6.32e+05 assign (resid 14 and name HZ3 ) (resid 17 and name HD2# ) 4.0 2.2 1.5 ! A.340 at 8.47e+07 assign (resid 14 and name HA ) (resid 17 and name HD2# ) 4.0 2.2 1.5 ! A.331 at 8.05e+05 assign (resid 14 and name HA ) (resid 17 and name HB2) 4.0 2.2 1.0 ! A.717 at -8.20e+05 assign (resid 14 and name HA ) (resid 17 and name HB1 ) 4.0 2.2 1.0 ! A.16 at -8.68e+05 assign (resid 14 and name HD1 ) (resid 18 and name HE1 ) 4.0 2.2 2.0 ! A.140 at 1.56e+07 assign (resid 14 and name HD1 ) (resid 18 and name HE2 ) 4.0 2.2 2.0 ! A.727 at 5.65e+05 assign (resid 14 and name HD1 ) (resid 18 and name HD# ) 4.0 2.2 2.0 ! A.139 at 1.29e+07 assign (resid 14 and name HD1 ) (resid 18 and name HG# ) 4.0 2.2 2.0 ! A.302 at 1.36e+07 assign (resid 14 and name HZ2 ) (resid 54 and name HA ) 4.0 2.2 2.0 ! A.158 at 1.21e+07 assign (resid 14 and name HZ2 ) (resid 54 and name HB2 ) 4.0 2.2 1.0 ! A.152 at 2.91e+07 assign (resid 14 and name HZ2 ) (resid 54 and name HB1 ) 4.0 2.2 2.0 ! A.155 at 2.12e+07 assign (resid 14 and name HZ2 ) (resid 54 and name HD1# ) 4.0 2.2 2.5 ! A.148 at 1.76e+07 assign (resid 14 and name HZ2 ) (resid 54 and name HG ) 4.0 2.2 1.0 ! A.154 at 2.69e+07 assign (resid 14 and name HZ2 ) (resid 54 and name HD2# ) 4.0 2.2 2.5 ! A.149 at 2.16e+07 assign (resid 14 and name HH2 ) (resid 54 and name HD2# ) 4.0 2.2 2.5 ! A.905 at -4.82e+05 assign (resid 14 and name HZ2 ) (resid 55 and name HA ) 3.0 1.2 0.3 ! A.534 at 2.55e+06 assign (resid 14 and name HZ2 ) (resid 58 and name HA ) 4.0 2.2 1.0 ! A.344 at 2.61e+07 assign (resid 14 and name HH2 ) (resid 58 and name HA ) 4.0 2.2 1.0 ! A.183 at -8.45e+05 assign (resid 14 and name HZ2 ) (resid 58 and name HB2 ) 4.0 2.2 1.0 ! A.153 at 2.87e+07 assign (resid 14 and name HZ2 ) (resid 58 and name HB1 ) 4.0 2.2 1.0 ! A.150 at 2.73e+07 assign (resid 14 and name HZ2 ) (resid 58 and name HG2 ) 4.0 2.2 2.0 ! A.98 at 1.93e+07 assign (resid 14 and name HH2 ) (resid 58 and name HB1 ) 4.0 2.2 2.0 ! A.390 at -4.72e+05 ! N15 assign (resid 15 and name HB2 ) (resid 16 and name HB# ) 4.0 2.2 2.0 ! A.690 at -5.38e+05 assign (resid 15 and name HB1 ) (resid 16 and name HA ) 4.0 2.2 2.0 ! A.696 at -5.06e+05 assign (resid 15 and name HA ) (resid 18 and name HG# ) 4.0 2.2 2.0 ! A.103 at 2.09e+07 assign (resid 15 and name HA ) (resid 18 and name HE2 ) 4.0 2.2 1.0 ! A.445 at -8.19e+05 assign (resid 15 and name HA ) (resid 18 and name HE1 ) 4.0 2.2 1.0 ! A.444 at -1.01e+06 assign (resid 15 and name HA ) (resid 18 and name HB2 ) 4.0 2.2 2.0 ! A.59 at 5.45e+05 assign (resid 15 and name HA ) (resid 51 and name HE1 ) 4.0 2.2 2.0 ! A.237 at 1.07e+07 ! Q16 assign (resid 16 and name HG# ) (resid 16 and name HA ) 3.0 1.2 0.3 ! A.21 at -3.75e+06 ! L17 assign (resid 17 and name HB2) (resid 17 and name HD2# ) 3.0 1.2 0.8 ! A.339 at -3.25e+06 assign (resid 17 and name HA ) (resid 17 and name HD1# ) 3.0 1.2 0.8 ! A.294 at 2.59e+06 assign (resid 17 and name HB1 ) (resid 17 and name HD1# ) 4.0 2.2 1.5 ! A.296 at -1.72e+06 assign (resid 17 and name HD2# ) (resid 17 and name HB1 ) 4.0 2.2 1.5 ! A.715 at -1.43e+06 assign (resid 17 and name HG ) (resid 17 and name HA ) 4.0 2.2 1.0 ! A.448 at 1.10e+06 assign (resid 17 and name HD2# ) (resid 17 and name HA ) 4.0 2.2 1.5 ! A.449 at 1.09e+06 assign (resid 17 and name HA ) (resid 18 and name HA ) 4.0 2.2 1.0 ! A.372 at 2.84e+07 assign (resid 17 and name HB1 ) (resid 18 and name HA ) 4.0 2.2 1.0 ! A.368 at 3.07e+07 assign (resid 17 and name HB2) (resid 18 and name HA ) 4.0 2.2 2.0 ! A.451 at -4.62e+05 assign (resid 17 and name HA ) (resid 20 and name HB2 ) 4.0 2.2 1.0 ! A.649 at -1.21e+06 assign (resid 17 and name HA ) (resid 20 and name HB1 ) 4.0 2.2 1.0 ! A.737 at -9.78e+05 assign (resid 17 and name HD1# ) (resid 54 and name HD1# ) 3.0 1.2 1.3 ! A.136 at 1.99e+08 assign (resid 17 and name HD2# ) (resid 70 and name HD1# ) 4.0 2.2 2.0 ! A.337 at 1.16e+06 assign (resid 17 and name HD2# ) (resid 70 and name HG2# ) 3.0 1.2 1.3 ! A.366 at 2.51e+06 assign (resid 17 and name HD1# ) (resid 70 and name HG2# ) 3.0 1.2 1.3 ! A.292 at 2.49e+06 assign (resid 17 and name HD1# ) (resid 70 and name HB ) 4.0 2.2 2.5 ! A.295 at -7.04e+05 assign (resid 17 and name HD1# ) (resid 70 and name HD1# ) 4.0 2.2 2.0 ! A.293 at 1.33e+06 ! K18 assign (resid 18 and name HA ) (resid 18 and name HG# ) 4.0 2.2 2.0 ! A.377 at 5.18e+05 assign (resid 18 and name HA ) (resid 18 and name HE2 ) 4.0 2.2 2.0 ! A.373 at 1.66e+07 assign (resid 18 and name HG# ) (resid 18 and name HE1 ) 4.0 2.2 2.0 ! A.295 at 2.37e+07 assign (resid 18 and name HG# ) (resid 18 and name HE2 ) 4.0 2.2 2.0 ! A.296 at 2.29e+07 assign (resid 18 and name HA ) (resid 21 and name HD# ) 4.0 2.2 2.0 ! A.364 at 1.88e+07 assign (resid 18 and name HA ) (resid 21 and name HB2 ) 4.0 2.2 2.0 ! A.25 at -6.69e+05 assign (resid 18 and name HA ) (resid 21 and name HB1 ) 4.0 2.2 2.0 ! A.26 at -5.21e+05 assign (resid 18 and name HG# ) (resid 21 and name HD# ) 4.0 2.2 2.0 ! A.303 at 9.45e+06 assign (resid 18 and name HA ) (resid 22 and name HD1# ) 4.0 2.2 1.5 ! A.25 at 2.67e+07 assign (resid 18 and name HE2 ) (resid 51 and name HE1 ) 4.0 2.2 2.0 ! A.232 at 1.89e+07 assign (resid 18 and name HE1 ) (resid 51 and name HE1 ) 4.0 2.2 1.0 ! A.231 at 3.06e+07 assign (resid 18 and name HD# ) (resid 51 and name HE1 ) 4.0 2.2 2.0 ! A.233 at 2.33e+07 assign (resid 18 and name HB1 ) (resid 51 and name HE1 ) 4.0 2.2 2.0 ! A.234 at 1.90e+07 assign (resid 18 and name HD# ) (resid 51 and name HD2 ) 4.0 2.2 1.0 ! A.229 at 5.42e+07 assign (resid 18 and name HA ) (resid 54 and name HD2# ) 4.0 2.2 1.5 ! A.353 at 1.42e+06 assign (resid 18 and name HG# ) (resid 54 and name HB2 ) 4.0 2.2 1.0 ! A.298 at 4.44e+07 assign (resid 18 and name HG# ) (resid 54 and name HB1 ) 4.0 2.2 2.0 ! A.301 at 2.15e+07 assign (resid 18 and name HG# ) (resid 54 and name HD2# ) 4.0 2.2 1.5 ! A.721 at 8.25e+05 assign (resid 18 and name HD# ) (resid 54 and name HD2# ) 4.0 2.2 1.5 ! A.907 at 1.04e+06 assign (resid 18 and name HA ) (resid 54 and name HD1# ) 4.0 2.2 1.5 ! A.28 at 9.39e+05 ! Q19 assign (resid 19 and name HA ) (resid 19 and name HG# ) 3.0 1.2 0.3 ! A.729 at -2.39e+06 assign (resid 19 and name HG# ) (resid 22 and name HG2# ) 4.0 2.2 1.5 ! A.267 at 2.98e+07 assign (resid 19 and name HA ) (resid 22 and name HG2# ) 4.0 2.2 1.5 ! A.30 at 9.55e+05 assign (resid 19 and name HG# ) (resid 22 and name HD1# ) 4.0 2.2 1.5 ! A.27 at 3.13e+07 assign (resid 19 and name HA ) (resid 22 and name HD1# ) 4.0 2.2 1.5 ! A.31 at 1.47e+06 assign (resid 19 and name HA ) (resid 22 and name HB ) 3.0 1.2 0.3 ! A.751 at -2.04e+06 ! D20 assign (resid 20 and name HA ) (resid 23 and name HB# ) 3.0 1.2 0.3 ! A.34 at 2.27e+06 assign (resid 20 and name HB1 ) (resid 71 and name HD1# ) 4.0 2.2 1.5 ! A.734 at -1.03e+06 assign (resid 20 and name HB2 ) (resid 71 and name HD1# ) 4.0 2.2 1.5 ! A.651 at -9.95e+05 assign (resid 20 and name HB2 ) (resid 71 and name HD2# ) 4.0 2.2 2.5 ! A.281 at -7.47e+05 assign (resid 20 and name HB1 ) (resid 71 and name HD2# ) 4.0 2.2 1.5 ! A.733 at -8.36e+05 ! F21 assign (resid 21 and name HD# ) (resid 21 and name HB1 ) 4.0 2.2 2.0 ! A.218 at 2.00e+07 assign (resid 21 and name HD# ) (resid 21 and name HB2 ) 4.0 2.2 1.0 ! A.200 at 2.51e+07 assign (resid 21 and name HD# ) (resid 21 and name HA ) 4.0 2.2 2.0 ! A.222 at 1.13e+07 assign (resid 21 and name HB1 ) (resid 21 and name HD# ) 4.0 2.2 2.0 ! A.174 at 7.04e+05 assign (resid 21 and name HB2 ) (resid 21 and name HD# ) 4.0 2.2 2.0 ! A.175 at 7.05e+05 assign (resid 21 and name HA ) (resid 21 and name HD# ) 4.0 2.2 1.0 ! A.176 at -8.35e+05 assign (resid 78 and name HH2 ) (resid 22 and name HA ) 4.0 2.2 1.0 ! A.363 at 3.75e+07 assign (resid 78 and name HH2 ) (resid 22 and name HG2# ) 4.0 2.2 1.5 ! A.41 at 2.75e+07 !assign (resid 78 and name HH2 ) (resid 22 and name HD1# ) 4.0 2.2 1.5 ! A.22 at 3.17e+07 !assign (resid 21 and name HD# ) (resid 25 and name HG1# ) 4.0 2.2 2.0 ! A.294 at 1.18e+07 assign (resid 78 and name HH2 ) (resid 25 and name HD1# ) 4.0 2.2 1.5 ! A.5 at 2.61e+07 assign (resid 21 and name HB1 ) (resid 25 and name HD1# ) 4.0 2.2 2.5 ! A.255 at 1.28e+07 assign (resid 21 and name HB2 ) (resid 50 and name HD1# ) 3.0 1.2 0.8 ! A.343 at 1.34e+08 assign (resid 21 and name HD# ) (resid 54 and name HD1# ) 4.0 2.2 1.5 ! A.101 at 8.55e+07 assign (resid 21 and name HB1 ) (resid 54 and name HD1# ) 4.0 2.2 1.5 ! A.106 at 3.48e+07 assign (resid 21 and name HE# ) (resid 54 and name HD1# ) 4.0 2.2 1.5 ! A.304 at 3.78e+07 assign (resid 21 and name HD# ) (resid 54 and name HD2# ) 4.0 2.2 1.5 ! A.349 at -1.11e+06 assign (resid 21 and name HB2 ) (resid 54 and name HD2# ) 4.0 2.2 2.5 ! A.744 at -6.83e+05 assign (resid 21 and name HE# ) (resid 60 and name HE# ) 4.0 2.2 1.5 ! A.12 at 9.92e+07 assign (resid 21 and name HD# ) (resid 70 and name HG2# ) 4.0 2.2 1.5 ! A.79 at 4.05e+07 assign (resid 21 and name HD# ) (resid 71 and name HG ) 4.0 2.2 2.0 ! A.219 at 1.69e+07 assign (resid 21 and name HD# ) (resid 71 and name HD2# ) 4.0 2.2 2.5 ! A.167 at -6.96e+05 assign (resid 21 and name HA ) (resid 71 and name HD1# ) 4.0 2.2 1.5 ! A.314 at 8.29e+05 assign (resid 21 and name HA ) (resid 71 and name HD2# ) 3.0 1.2 0.8 ! A.276 at 2.35e+06 assign (resid 21 and name HB2 ) (resid 71 and name HD2# ) 4.0 2.2 1.5 ! A.280 at -9.91e+05 assign (resid 21 and name HB1 ) (resid 71 and name HD2# ) 4.0 2.2 1.5 ! A.279 at -1.12e+06 assign (resid 21 and name HD# ) (resid 74 and name HD2# ) 4.0 2.2 1.5 ! A.168 at -1.22e+06 assign (resid 21 and name HE# ) (resid 74 and name HD2# ) 4.0 2.2 2.5 ! A.585 at -7.38e+05 assign (resid 21 and name HZ ) (resid 74 and name HD2# ) 4.0 2.2 1.5 ! A.333 at 4.08e+07 assign (resid 21 and name HD# ) (resid 74 and name HD1# ) 4.0 2.2 1.5 ! A.306 at 6.94e+07 assign (resid 21 and name HE# ) (resid 74 and name HD1# ) 4.0 2.2 1.5 ! A.307 at 4.62e+07 assign (resid 21 and name HB1 ) (resid 74 and name HD2# ) 4.0 2.2 2.5 ! A.747 at -6.87e+05 ! I22 assign (resid 22 and name HA ) (resid 22 and name HG11 ) 4.0 2.2 1.0 ! A.756 at 8.27e+05 assign (resid 22 and name HA ) (resid 22 and name HG12 ) 4.0 2.2 2.0 ! A.761 at 5.92e+05 assign (resid 22 and name HG2# ) (resid 22 and name HA ) 3.0 1.2 0.8 ! A.42 at 2.68e+06 assign (resid 22 and name HD1# ) (resid 22 and name HA ) 4.0 2.2 1.5 ! A.40 at 8.75e+05 assign (resid 22 and name HD1# ) (resid 22 and name HB ) 3.0 1.2 0.8 ! A.754 at -2.01e+06 assign (resid 22 and name HA ) (resid 23 and name HA ) 4.0 2.2 2.0 ! A.362 at 2.21e+07 assign (resid 22 and name HG2# ) (resid 23 and name HA ) 4.0 2.2 1.5 ! A.459 at 8.92e+05 assign (resid 22 and name HA ) (resid 25 and name HD1# ) 4.0 2.2 2.5 ! A.357 at 2.45e+07 assign (resid 22 and name HA ) (resid 25 and name HG1# ) 4.0 2.2 2.0 ! A.374 at 6.14e+05 assign (resid 22 and name HA ) (resid 25 and name HB ) 4.0 2.2 1.0 ! A.41 at -8.73e+05 assign (resid 22 and name HA ) (resid 25 and name HG2# ) 4.0 2.2 1.5 ! A.43 at 1.01e+06 assign (resid 22 and name HG2# ) (resid 26 and name HG ) 4.0 2.2 1.5 ! A.780 at 8.89e+05 assign (resid 22 and name HG2# ) (resid 26 and name HD2# ) 3.0 1.2 1.3 ! A.345 at 2.55e+06 assign (resid 22 and name HG2# ) (resid 26 and name HD1# ) 4.0 2.2 2.0 ! A.785 at 1.20e+06 assign (resid 22 and name HD1# ) (resid 47 and name HA ) 4.0 2.2 1.5 ! A.23 at 5.01e+07 assign (resid 22 and name HD1# ) (resid 47 and name HD2# ) 4.0 2.2 2.0 ! A.297 at 1.27e+06 assign (resid 22 and name HD1# ) (resid 47 and name HD1# ) 4.0 2.2 2.0 ! A.303 at 9.51e+05 assign (resid 22 and name HG2# ) (resid 47 and name HD1# ) 3.0 1.2 1.3 ! A.138 at 2.61e+06 assign (resid 22 and name HG2# ) (resid 47 and name HD2# ) 3.0 1.2 1.3 ! A.298 at 2.76e+06 assign (resid 22 and name HD1# ) (resid 50 and name HD2# ) 4.0 2.2 2.0 ! A.344 at 1.02e+06 assign (resid 22 and name HD1# ) (resid 50 and name HD1# ) 3.0 1.2 1.3 ! A.357 at 1.86e+06 assign (resid 22 and name HG2# ) (resid 50 and name HD1# ) 4.0 2.2 2.0 ! A.359 at 1.02e+06 assign (resid 22 and name HA ) (resid 50 and name HD2# ) 4.0 2.2 1.5 ! A.45 at 1.38e+06 assign (resid 22 and name HD1# ) (resid 51 and name HE1 ) 4.0 2.2 1.5 ! A.21 at 3.90e+07 assign (resid 22 and name HD1# ) (resid 51 and name HD2 ) 4.0 2.2 1.5 ! A.20 at 3.44e+07 ! S23 assign (resid 23 and name HB# ) (resid 26 and name HD1# ) 4.0 2.2 1.5 ! A.323 at 3.08e+07 assign (resid 23 and name HA ) (resid 26 and name HD2# ) 4.0 2.2 1.5 ! A.332 at 9.18e+05 assign (resid 23 and name HA ) (resid 26 and name HB1 ) 4.0 2.2 1.0 ! A.49 at -1.02e+06 assign (resid 23 and name HA ) (resid 43 and name HG2# ) 4.0 2.2 1.5 ! A.765 at 1.14e+06 assign (resid 23 and name HB# ) (resid 67 and name HE# ) 4.0 2.2 1.0 ! A.763 at 1.35e+06 ! G24 assign (resid 24 and name HA2 ) (resid 27 and name HG1 ) 4.0 2.2 2.0 ! A.328 at 1.12e+07 assign (resid 24 and name HA1 ) (resid 27 and name HG1 ) 4.0 2.2 2.0 ! A.327 at 1.47e+07 assign (resid 24 and name HA1 ) (resid 27 and name HB# ) 4.0 2.2 1.0 ! A.461 at -8.18e+05 assign (resid 24 and name HA2 ) (resid 27 and name HB# ) 4.0 2.2 2.0 ! A.462 at -4.98e+05 ! I25 assign (resid 25 and name HB ) (resid 25 and name HD1# ) 4.0 2.2 1.5 ! A.116 at 4.69e+07 assign (resid 25 and name HG1# ) (resid 25 and name HA ) 4.0 2.2 1.0 ! A.290 at 4.04e+07 assign (resid 25 and name HG2# ) (resid 25 and name HA ) 3.0 1.2 0.8 ! A.54 at 2.42e+06 assign (resid 25 and name HD1# ) (resid 25 and name HA ) 4.0 2.2 1.5 ! A.1 at 8.26e+07 assign (resid 25 and name HA ) (resid 25 and name HD1# ) 4.0 2.2 1.5 ! A.103 at -1.13e+06 assign (resid 25 and name HA ) (resid 25 and name HG1# ) 4.0 2.2 2.0 ! A.777 at 6.53e+05 assign (resid 25 and name HG2# ) (resid 26 and name HG ) 4.0 2.2 2.5 ! A.784 at 5.64e+05 assign (resid 25 and name HG2# ) (resid 26 and name HD1# ) 4.0 2.2 2.0 ! A.251 at 1.05e+06 assign (resid 25 and name HA ) (resid 28 and name HB# ) 4.0 2.2 2.0 ! A.56 at -5.22e+05 assign (resid 25 and name HG2# ) (resid 30 and name HB1 ) 4.0 2.2 1.5 ! A.272 at 3.97e+07 assign (resid 25 and name HG2# ) (resid 30 and name HB2 ) 4.0 2.2 1.5 ! A.56 at 5.43e+07 assign (resid 25 and name HD1# ) (resid 30 and name HB2 ) 4.0 2.2 2.5 ! A.9 at 1.54e+07 assign (resid 25 and name HG2# ) (resid 31 and name HD# ) 4.0 2.2 1.5 ! A.273 at 9.47e+07 assign (resid 25 and name HD1# ) (resid 31 and name HA ) 4.0 2.2 2.5 ! A.8 at 1.71e+07 assign (resid 25 and name HD1# ) (resid 33 and name HB2 ) 4.0 2.2 2.5 ! A.254 at 2.21e+07 assign (resid 25 and name HG2# ) (resid 33 and name HD1# ) 4.0 2.2 3.0 ! A.775 at 7.27e+05 assign (resid 25 and name HG2# ) (resid 43 and name HA ) 4.0 2.2 1.5 ! A.53 at 5.20e+07 assign (resid 25 and name HG2# ) (resid 46 and name HG# ) 4.0 2.2 1.5 ! A.271 at 3.29e+07 assign (resid 25 and name HD1# ) (resid 50 and name HD2# ) 4.0 2.2 2.0 ! A.257 at 7.82e+07 assign (resid 25 and name HG2# ) (resid 50 and name HD2# ) 4.0 2.2 2.0 ! A.343 at 1.08e+06 assign (resid 25 and name HG2# ) (resid 50 and name HD1# ) 4.0 2.2 2.0 ! A.360 at 8.46e+05 assign (resid 25 and name HG1# ) (resid 50 and name HD1# ) 4.0 2.2 2.5 ! A.778 at 5.68e+05 assign (resid 25 and name HD1# ) (resid 50 and name HD1# ) 4.0 2.2 2.0 ! A.361 at -8.21e+05 assign (resid 25 and name HD1# ) (resid 71 and name HD2# ) 4.0 2.2 2.0 ! A.259 at 4.34e+07 assign (resid 25 and name HG1# ) (resid 78 and name HE3 ) 4.0 2.2 2.0 ! A.188 at 1.53e+07 assign (resid 25 and name HG2# ) (resid 78 and name HZ2 ) 4.0 2.2 2.5 ! A.64 at 2.36e+07 assign (resid 25 and name HD1# ) (resid 78 and name HB1 ) 4.0 2.2 2.5 ! A.256 at 1.21e+07 ! L26 assign (resid 26 and name HD1# ) (resid 26 and name HA ) 2.5 0.7 0.7 ! A.322 at 3.71e+08 assign (resid 26 and name HD1# ) (resid 26 and name HB2 ) 3.0 1.2 0.8 ! A.321 at 2.28e+08 assign (resid 26 and name HB2 ) (resid 26 and name HD2# ) 3.0 1.2 0.8 ! A.340 at -2.67e+06 assign (resid 26 and name HA ) (resid 26 and name HD1# ) 3.0 1.2 0.8 ! A.249 at 3.81e+06 assign (resid 26 and name HB2 ) (resid 26 and name HD1# ) 4.0 2.2 1.5 ! A.252 at -1.46e+06 assign (resid 26 and name HB1 ) (resid 26 and name HD1# ) 4.0 2.2 1.5 ! A.253 at -1.40e+06 assign (resid 26 and name HG ) (resid 26 and name HA ) 4.0 2.2 1.0 ! A.58 at 8.60e+05 assign (resid 26 and name HD2# ) (resid 26 and name HA ) 4.0 2.2 1.5 ! A.464 at 9.61e+05 assign (resid 26 and name HD1# ) (resid 27 and name HB# ) 4.0 2.2 1.5 ! A.320 at 9.94e+07 assign (resid 26 and name HD1# ) (resid 27 and name HG1 ) 4.0 2.2 1.5 ! A.319 at 5.70e+07 ! E27 !assign (resid 27 and name HG2 ) (resid 27 and name HA ) 3.0 1.2 0.3 ! A.465 at -2.70e+06 ! N28 assign (resid 28 and name HA ) (resid 31 and name HB# ) 4.0 2.2 2.0 ! A.62 at -5.00e+05 ! E29 assign (resid 29 and name HG1 ) (resid 29 and name HA ) 3.0 1.2 0.3 ! A.472 at -2.32e+06 assign (resid 29 and name HA ) (resid 32 and name HB# ) 4.0 2.2 2.0 ! A.63 at -4.79e+05 ! Q30 assign (resid 30 and name HG# ) (resid 30 and name HA ) 3.0 1.2 0.3 ! A.64 at -3.42e+06 assign (resid 30 and name HG# ) (resid 33 and name HD2# ) 4.0 2.2 1.5 ! A.701 at -8.77e+05 assign (resid 30 and name HA ) (resid 33 and name HD2# ) 4.0 2.2 2.5 ! A.476 at 6.80e+05 ! K31 assign (resid 31 and name HG# ) (resid 31 and name HA ) 3.0 1.2 0.3 ! A.467 at 2.26e+06 assign (resid 31 and name HD# ) (resid 31 and name HB# ) 3.0 1.2 0.3 ! A.805 at -3.95e+06 assign (resid 31 and name HA ) (resid 34 and name HG1# ) 4.0 2.2 1.5 ! A.147 at 8.69e+05 assign (resid 31 and name HA ) (resid 34 and name HG2# ) 4.0 2.2 1.5 ! A.478 at 9.44e+05 ! D32 assign (resid 32 and name HB# ) (resid 35 and name HB# ) 4.0 2.2 2.5 ! A.808 at -4.83e+05 assign (resid 32 and name HA ) (resid 35 and name HB# ) 4.0 2.2 1.5 ! A.122 at 1.51e+06 ! L33 ! L33 assign (resid 33 and name HA ) (resid 33 and name HG ) 4.0 2.2 2.0 ! A.811 at 7.56e+05 assign (resid 33 and name HB2 ) (resid 33 and name HD2# ) 3.0 1.2 0.8 ! A.325 at -3.36e+06 assign (resid 33 and name HA ) (resid 33 and name HD2# ) 4.0 2.2 1.5 ! A.311 at 1.54e+06 assign (resid 33 and name HA ) (resid 33 and name HD1# ) 3.0 1.2 0.8 ! A.290 at 2.69e+06 ! V34 ! V34 assign (resid 34 and name HG1# ) (resid 34 and name HA ) 3.0 1.2 0.8 ! A.93 at 1.79e+08 assign (resid 34 and name HG2# ) (resid 34 and name HA ) 2.5 0.7 0.7 ! A.195 at 5.41e+06 assign (resid 34 and name HA ) (resid 34 and name HG1# ) 3.0 1.2 0.8 ! A.148 at 3.16e+06 assign (resid 34 and name HG2# ) (resid 35 and name HB# ) 4.0 2.2 3.0 ! A.152 at 7.55e+05 assign (resid 34 and name HG2# ) (resid 35 and name HA ) 4.0 2.2 2.5 ! A.488 at 7.38e+05 assign (resid 34 and name HA ) (resid 37 and name HD2# ) 4.0 2.2 1.5 ! A.486 at 1.06e+06 assign (resid 34 and name HA ) (resid 37 and name HB1 ) 4.0 2.2 2.0 ! A.199 at -7.68e+05 assign (resid 34 and name HA ) (resid 37 and name HB2 ) 4.0 2.2 2.0 ! A.201 at -6.44e+05 assign (resid 34 and name HA ) (resid 37 and name HG ) 4.0 2.2 2.0 ! A.609 at 5.97e+05 assign (resid 34 and name HG2# ) (resid 37 and name HB2 ) 4.0 2.2 1.5 ! A.829 at -1.05e+06 assign (resid 34 and name HG2# ) (resid 38 and name HB ) 4.0 2.2 1.5 ! A.247 at 2.79e+07 assign (resid 34 and name HG2# ) (resid 47 and name HA ) 4.0 2.2 2.5 ! A.564 at 4.89e+05 ! A35 ! A35 assign (resid 35 and name HB# ) (resid 36 and name HA ) 4.0 2.2 2.5 ! A.248 at 5.62e+05 ! K36 ! K36 assign (resid 36 and name HE# ) (resid 36 and name HG1 ) 4.0 2.2 1.0 ! A.821 at -9.85e+05 assign (resid 36 and name HA ) (resid 36 and name HG1 ) 4.0 2.2 1.0 ! A.820 at 9.99e+05 assign (resid 36 and name HD# ) (resid 36 and name HA ) 4.0 2.2 1.0 ! A.489 at 8.49e+05 ! L37 ! L37 assign (resid 37 and name HA ) (resid 37 and name HG ) 4.0 2.2 2.0 ! A.824 at 7.61e+05 assign (resid 37 and name HA ) (resid 37 and name HD1# ) 3.0 1.2 0.8 ! A.272 at 4.97e+06 assign (resid 37 and name HB2 ) (resid 37 and name HD1# ) 3.0 1.2 0.8 ! A.273 at -3.44e+06 assign (resid 37 and name HD2# ) (resid 37 and name HB1 ) 3.0 1.2 0.8 ! A.827 at -3.49e+06 assign (resid 37 and name HD2# ) (resid 37 and name HB2 ) 3.0 1.2 0.8 ! A.607 at -3.87e+06 assign (resid 37 and name HD2# ) (resid 37 and name HA ) 4.0 2.2 1.5 ! A.500 at 8.54e+05 assign (resid 37 and name HD2# ) (resid 38 and name HG2# ) 4.0 2.2 3.0 ! A.188 at 7.28e+05 assign (resid 37 and name HD2# ) (resid 46 and name HB# ) 4.0 2.2 2.5 ! A.313 at 6.90e+05 assign (resid 37 and name HD1# ) (resid 53 and name HB2 ) 4.0 2.2 2.5 ! A.929 at 5.68e+05 ! T38 !assign (resid 37 and name HD2# ) (resid 78 and name HH2 ) 4.0 2.2 2.5 ! A.184 at 1.94e+07 assign (resid 37 and name HB1 ) (resid 78 and name HZ2 ) 4.0 2.2 2.0 ! A.164 at 1.48e+07 assign (resid 37 and name HD2# ) (resid 78 and name HZ2 ) 4.0 2.2 2.5 ! A.166 at 2.28e+07 ! T38 assign (resid 38 and name HA ) (resid 38 and name HG2# ) 3.0 1.2 0.8 ! A.145 at 3.78e+06 assign (resid 38 and name HG2# ) (resid 41 and name HB2 ) 4.0 2.2 2.5 ! A.839 at -5.58e+05 ! N39 ! S40 ! D41 ! N39 ! S40 ! D41 assign (resid 41 and name HA ) (resid 42 and name HG# ) 4.0 2.2 1.0 ! A.505 at -8.42e+05 assign (resid 41 and name HA ) (resid 42 and name HD1 ) 2.5 0.7 0.2 ! A.68 at 6.64e+06 assign (resid 41 and name HB1 ) (resid 42 and name HD1 ) 4.0 2.2 2.0 ! A.415 at 6.20e+05 assign (resid 41 and name HB2 ) (resid 42 and name HD2 ) 4.0 2.2 2.0 ! A.420 at 6.25e+05 assign (resid 41 and name HA ) (resid 42 and name HD2 ) 3.0 1.2 0.3 ! A.416 at 4.41e+06 assign (resid 41 and name HB1 ) (resid 42 and name HD2 ) 4.0 2.2 1.0 ! A.832 at 1.01e+06 ! P42 ! P42 assign (resid 42 and name HD1 ) (resid 42 and name HB1 ) 4.0 2.2 1.0 ! A.595 at -1.08e+06 assign (resid 42 and name HD2 ) (resid 42 and name HB2 ) 4.0 2.2 1.0 ! A.847 at -9.08e+05 assign (resid 42 and name HA ) (resid 42 and name HD1 ) 4.0 2.2 2.0 ! A.841 at -5.28e+05 assign (resid 42 and name HB1 ) (resid 42 and name HD2 ) 4.0 2.2 2.0 ! A.418 at -7.98e+05 assign (resid 42 and name HA ) (resid 42 and name HG# ) 4.0 2.2 1.0 ! A.842 at 1.67e+06 assign (resid 42 and name HD2 ) (resid 42 and name HA ) 4.0 2.2 2.0 ! A.192 at -7.38e+05 ! I43 ! I43 assign (resid 43 and name HG2# ) (resid 43 and name HA ) 3.0 1.2 0.8 ! A.71 at 2.54e+06 assign (resid 43 and name HD1# ) (resid 43 and name HA ) 4.0 2.2 1.5 ! A.70 at 1.47e+06 assign (resid 43 and name HD1# ) (resid 43 and name HB ) 4.0 2.2 1.5 ! A.850 at -1.28e+06 ! M44 assign (resid 43 and name HA ) (resid 43 and name HG11 ) 4.0 2.2 2.0 ! A.855 at 7.12e+05 assign (resid 43 and name HA ) (resid 43 and name HG12 ) 4.0 2.2 1.0 ! A.863 at 8.62e+05 assign (resid 43 and name HG2# ) (resid 44 and name HA ) 4.0 2.2 1.5 ! A.50 at 6.36e+07 ! M44 assign (resid 44 and name HE# ) (resid 44 and name HG1 ) 4.0 2.2 2.5 ! A.867 at 6.44e+05 assign (resid 44 and name HA ) (resid 44 and name HG1 ) 4.0 2.2 1.0 ! A.866 at 1.00e+06 assign (resid 44 and name HE# ) (resid 47 and name HA ) 3.0 1.2 0.8 ! A.15 at 2.09e+08 assign (resid 44 and name HE# ) (resid 47 and name HD1# ) 4.0 2.2 2.0 ! A.308 at 1.00e+06 assign (resid 44 and name HA ) (resid 47 and name HD1# ) 4.0 2.2 1.5 ! A.305 at 8.77e+05 assign (resid 44 and name HE# ) (resid 47 and name HD2# ) 4.0 2.2 2.0 ! A.407 at 1.00e+06 assign (resid 44 and name HE# ) (resid 48 and name HB# ) 4.0 2.2 1.5 ! A.408 at -8.65e+05 ! N45 ! Q46 ! N45 ! Q46 assign (resid 46 and name HG# ) (resid 46 and name HA ) 4.0 2.2 1.0 ! A.77 at -1.67e+06 ! L47 ! L47 assign (resid 47 and name HA ) (resid 47 and name HG ) 4.0 2.2 1.0 ! A.875 at 1.64e+06 assign (resid 47 and name HB2 ) (resid 47 and name HD1# ) 3.0 1.2 0.8 ! A.307 at -2.40e+06 assign (resid 47 and name HB1 ) (resid 47 and name HD2# ) 3.0 1.2 0.8 ! A.300 at -2.81e+06 assign (resid 47 and name HD2# ) (resid 47 and name HB2 ) 3.0 1.2 0.8 ! A.882 at -2.70e+06 assign (resid 47 and name HD1# ) (resid 47 and name HA ) 3.0 1.2 0.8 ! A.565 at 1.83e+06 assign (resid 47 and name HA ) (resid 50 and name HB2 ) 4.0 2.2 1.0 ! A.78 at -8.07e+05 assign (resid 47 and name HB1 ) (resid 51 and name HD2 ) 4.0 2.2 1.0 ! A.230 at 6.12e+07 assign (resid 47 and name HD1# ) (resid 51 and name HD2 ) 4.0 2.2 2.5 ! A.304 at -7.55e+05 assign (resid 47 and name HB2 ) (resid 51 and name HD2 ) 4.0 2.2 2.0 ! A.878 at 5.68e+05 ! D48 ! D48 assign (resid 48 and name HA ) (resid 51 and name HD2 ) 4.0 2.2 2.0 ! A.541 at -6.73e+05 ! L49 assign (resid 48 and name HA ) (resid 51 and name HB1 ) 4.0 2.2 1.0 ! A.910 at 9.35e+05 assign (resid 48 and name HA ) (resid 51 and name HB2 ) 4.0 2.2 2.0 ! A.912 at 7.19e+05 ! L49 assign (resid 49 and name HA ) (resid 49 and name HG ) 4.0 2.2 1.0 ! A.889 at 1.39e+06 assign (resid 49 and name HB2 ) (resid 49 and name HD1# ) 4.0 2.2 1.5 ! A.329 at -1.62e+06 assign (resid 49 and name HA ) (resid 49 and name HD1# ) 3.0 1.2 0.8 ! A.328 at 1.85e+06 assign (resid 49 and name HA ) (resid 49 and name HD2# ) 3.0 1.2 0.8 ! A.288 at 4.58e+06 assign (resid 49 and name HB1 ) (resid 49 and name HD2# ) 3.0 1.2 0.8 ! A.287 at -2.03e+06 assign (resid 49 and name HB2 ) (resid 49 and name HD2# ) 4.0 2.2 1.5 ! A.286 at -1.21e+06 assign (resid 49 and name HA ) (resid 52 and name HB# ) 3.0 1.2 0.3 ! A.901 at -2.01e+06 assign (resid 49 and name HD2# ) (resid 52 and name HB# ) 4.0 2.2 1.5 ! A.289 at -1.03e+06 ! L50 ! L50 assign (resid 50 and name HA ) (resid 50 and name HD2# ) 4.0 2.2 1.5 ! A.336 at 1.37e+06 assign (resid 50 and name HB1 ) (resid 50 and name HD2# ) 4.0 2.2 1.5 ! A.341 at -1.43e+06 assign (resid 50 and name HB2 ) (resid 50 and name HD1# ) 4.0 2.2 1.5 ! A.936 at -1.51e+06 assign (resid 50 and name HA ) (resid 50 and name HD1# ) 3.0 1.2 0.8 ! A.351 at 2.01e+06 assign (resid 50 and name HB1 ) (resid 50 and name HD1# ) 4.0 2.2 1.5 ! A.906 at -1.36e+06 assign (resid 50 and name HG ) (resid 50 and name HA ) 4.0 2.2 1.0 ! A.511 at 8.14e+05 assign (resid 50 and name HD1# ) (resid 51 and name HE1 ) 4.0 2.2 2.5 ! A.236 at 1.15e+07 assign (resid 50 and name HA ) (resid 53 and name HB2 ) 4.0 2.2 2.0 ! A.81 at 4.92e+05 assign (resid 50 and name HA ) (resid 53 and name HB1 ) 4.0 2.2 2.0 ! A.80 at 7.49e+05 !assign (resid 50 and name HG ) (resid 78 and name HH2 ) 4.0 2.2 2.0 ! A.186 at 1.21e+07 !assign (resid 50 and name HD1# ) (resid 78 and name HH2 ) 4.0 2.2 2.5 ! A.352 at -7.73e+05 assign (resid 50 and name HD2# ) (resid 78 and name HZ3 ) 4.0 2.2 2.5 ! A.588 at -6.51e+05 ! H51 assign (resid 50 and name HA ) (resid 78 and name HZ2 ) 4.0 2.2 2.0 ! A.902 at 5.24e+05 ! H51 assign (resid 51 and name HD2 ) (resid 51 and name HA ) 4.0 2.2 1.0 ! A.224 at 2.72e+07 assign (resid 51 and name HD2 ) (resid 51 and name HB1 ) 4.0 2.2 1.0 ! A.225 at 3.09e+07 assign (resid 51 and name HA ) (resid 54 and name HD1# ) 4.0 2.2 1.5 ! A.105 at 5.02e+07 assign (resid 51 and name HA ) (resid 54 and name HD2# ) 3.0 1.2 0.8 ! A.202 at 1.97e+06 assign (resid 51 and name HA ) (resid 54 and name HB1 ) 4.0 2.2 1.0 ! A.937 at -9.96e+05 ! K52 ! K52 assign (resid 52 and name HA ) (resid 52 and name HG2 ) 4.0 2.2 1.0 ! A.925 at 8.69e+05 assign (resid 52 and name HG1 ) (resid 52 and name HE# ) 3.0 1.2 0.3 ! A.1079 at -2.23e+06 assign (resid 52 and name HG2 ) (resid 52 and name HE# ) 4.0 2.2 1.0 ! A.922 at -1.67e+06 assign (resid 52 and name HD# ) (resid 52 and name HA ) 4.0 2.2 1.0 ! A.525 at 9.49e+05 assign (resid 52 and name HG1 ) (resid 52 and name HA ) 4.0 2.2 1.0 ! A.520 at 1.12e+06 assign (resid 52 and name HA ) (resid 55 and name HB2 ) 4.0 2.2 1.0 ! A.83 at -1.09e+06 assign (resid 52 and name HA ) (resid 55 and name HB1 ) 4.0 2.2 1.0 ! A.661 at -9.23e+05 ! W53 ! W53 assign (resid 53 and name HD1 ) (resid 53 and name HB2 ) 4.0 2.2 2.0 ! A.146 at 1.04e+07 assign (resid 53 and name HE3 ) (resid 53 and name HB1 ) 4.0 2.2 2.0 ! A.193 at 2.43e+07 assign (resid 53 and name HD1 ) (resid 53 and name HA ) 4.0 2.2 2.0 ! A.227 at -6.04e+05 assign (resid 53 and name HE3 ) (resid 54 and name HD1# ) 4.0 2.2 1.5 ! A.270 at -1.04e+06 assign (resid 53 and name HE3 ) (resid 54 and name HG ) 4.0 2.2 1.0 ! A.584 at -8.93e+05 assign (resid 53 and name HE3 ) (resid 54 and name HA ) 4.0 2.2 1.0 ! A.527 at -1.26e+06 assign (resid 53 and name HA ) (resid 56 and name HG# ) 4.0 2.2 2.0 ! A.208 at 7.48e+05 assign (resid 53 and name HA ) (resid 56 and name HD# ) 4.0 2.2 2.0 ! A.526 at -5.27e+05 assign (resid 53 and name HZ2 ) (resid 57 and name HB1 ) 4.0 2.2 2.0 ! A.161 at 1.36e+07 assign (resid 53 and name HZ3 ) (resid 60 and name HE# ) 4.0 2.2 1.5 ! A.11 at 1.01e+08 assign (resid 53 and name HZ3 ) (resid 74 and name HD1# ) 4.0 2.2 1.5 ! A.305 at 1.02e+08 assign (resid 53 and name HH2 ) (resid 74 and name HA ) 4.0 2.2 2.0 ! A.123 at 1.48e+07 assign (resid 53 and name HH2 ) (resid 74 and name HD1# ) 4.0 2.2 2.5 ! A.176 at 1.50e+07 assign (resid 53 and name HE3 ) (resid 74 and name HG ) 4.0 2.2 2.0 ! A.192 at 2.37e+07 assign (resid 53 and name HE3 ) (resid 74 and name HD2# ) 4.0 2.2 1.5 ! A.329 at 7.38e+07 assign (resid 53 and name HH2 ) (resid 77 and name HB2 ) 4.0 2.2 2.0 ! A.1075 at -5.73e+05 assign (resid 53 and name HZ2 ) (resid 77 and name HB1 ) 4.0 2.2 1.0 ! A.399 at 1.02e+06 assign (resid 53 and name HH2 ) (resid 78 and name HE3 ) 4.0 2.2 2.0 ! A.175 at 1.78e+07 assign (resid 53 and name HZ2 ) (resid 78 and name HA ) 4.0 2.2 1.0 ! A.398 at 8.28e+05 ! L54 assign (resid 53 and name HZ2 ) (resid 78 and name HE3 ) 4.0 2.2 2.0 ! A.163 at 1.27e+07 ! L54 assign (resid 54 and name HD2# ) (resid 54 and name HA ) 4.0 2.2 1.5 ! A.530 at 1.12e+06 assign (resid 54 and name HD1# ) (resid 54 and name HB2 ) 3.0 1.2 0.8 ! A.111 at 1.25e+08 assign (resid 54 and name HD1# ) (resid 54 and name HA ) 3.0 1.2 0.8 ! A.104 at 1.86e+08 assign (resid 54 and name HA ) (resid 54 and name HG ) 4.0 2.2 2.0 ! A.932 at 7.40e+05 assign (resid 54 and name HB1 ) (resid 54 and name HD1# ) 4.0 2.2 2.5 ! A.156 at -6.03e+05 assign (resid 54 and name HB2 ) (resid 54 and name HD1# ) 4.0 2.2 1.5 ! A.157 at -8.13e+05 assign (resid 54 and name HA ) (resid 54 and name HD1# ) 3.0 1.2 0.8 ! A.154 at 2.16e+06 assign (resid 54 and name HD2# ) (resid 54 and name HB1 ) 4.0 2.2 1.5 ! A.939 at -1.33e+06 assign (resid 54 and name HD2# ) (resid 54 and name HB2 ) 3.0 1.2 0.8 ! A.941 at -1.87e+06 assign (resid 54 and name HD1# ) (resid 57 and name HB1 ) 4.0 2.2 1.5 ! A.108 at 6.38e+07 assign (resid 54 and name HG ) (resid 58 and name HA ) 4.0 2.2 2.0 ! A.355 at 1.40e+07 assign (resid 54 and name HD1# ) (resid 58 and name HA ) 4.0 2.2 1.5 ! A.107 at 5.04e+07 assign (resid 74 and name HD2# ) (resid 70 and name HG2# ) 3.0 1.2 1.3 ! A.356 at 2.08e+06 assign (resid 54 and name HD1# ) (resid 74 and name HD2# ) 2.5 0.7 1.2 ! A.113 at 5.46e+08 assign (resid 54 and name HA ) (resid 74 and name HD1# ) 4.0 2.2 2.5 ! A.533 at 5.70e+05 assign (resid 54 and name HD1# ) (resid 74 and name HD1# ) 3.0 1.2 1.3 ! A.158 at 2.04e+06 assign (resid 54 and name HD1# ) (resid 78 and name HE3 ) 4.0 2.2 2.5 ! A.271 at -6.82e+05 ! D55 ! D55 assign (resid 55 and name HA ) (resid 58 and name HA ) 4.0 2.2 2.0 ! A.346 at 1.15e+07 assign (resid 55 and name HA ) (resid 58 and name HB2 ) 4.0 2.2 2.0 ! A.1044 at 7.15e+05 ! R56 ! R56 assign (resid 56 and name HD# ) (resid 56 and name HB1 ) 4.0 2.2 1.0 ! A.947 at -1.02e+06 assign (resid 56 and name HD# ) (resid 56 and name HB2 ) 4.0 2.2 1.0 ! A.951 at -1.37e+06 assign (resid 56 and name HA ) (resid 56 and name HG# ) 3.0 1.2 0.3 ! A.708 at 1.92e+06 assign (resid 56 and name HA ) (resid 56 and name HD# ) 4.0 2.2 2.0 ! A.943 at -6.02e+05 ! H57 assign (resid 56 and name HA ) (resid 58 and name HG2 ) 4.0 2.2 2.0 ! A.288 at 1.07e+07 ! H57 assign (resid 57 and name HD2 ) (resid 57 and name HB2 ) 4.0 2.2 2.0 ! A.239 at 1.05e+07 assign (resid 57 and name HB1 ) (resid 60 and name HE# ) 4.0 2.2 2.5 ! A.621 at 6.00e+05 assign (resid 57 and name HA ) (resid 60 and name HE# ) 4.0 2.2 2.5 ! A.86 at 7.34e+05 assign (resid 57 and name HB1 ) (resid 74 and name HD1# ) 4.0 2.2 1.5 ! A.953 at 1.14e+06 assign (resid 57 and name HB2 ) (resid 74 and name HD1# ) 4.0 2.2 1.5 ! A.956 at 8.84e+05 ! R58 ! R58 assign (resid 58 and name HA ) (resid 58 and name HG2 ) 4.0 2.2 2.0 ! A.371 at 6.83e+05 assign (resid 58 and name HB2 ) (resid 58 and name HD1 ) 4.0 2.2 1.0 ! A.961 at -1.25e+06 assign (resid 58 and name HB1 ) (resid 58 and name HD1 ) 4.0 2.2 1.0 ! A.960 at -8.63e+05 assign (resid 58 and name HG1 ) (resid 58 and name HA ) 4.0 2.2 2.0 ! A.182 at 6.69e+05 assign (resid 58 and name HA ) (resid 59 and name HA ) 4.0 2.2 2.0 ! A.350 at 1.72e+07 assign (resid 58 and name HA ) (resid 60 and name HG2 ) 4.0 2.2 1.0 ! A.351 at 2.67e+07 assign (resid 58 and name HA ) (resid 61 and name HB1 ) 4.0 2.2 1.0 ! A.978 at 8.22e+05 ! D59 ! M60 ! D59 ! M60 assign (resid 60 and name HA ) (resid 60 and name HG1 ) 4.0 2.2 2.0 ! A.614 at 7.69e+05 assign (resid 60 and name HA ) (resid 60 and name HG2 ) 4.0 2.2 2.0 ! A.970 at 6.19e+05 assign (resid 60 and name HG1 ) (resid 60 and name HE# ) 4.0 2.2 1.5 ! A.269 at 1.78e+06 assign (resid 60 and name HE# ) (resid 60 and name HA ) 4.0 2.2 2.5 ! A.550 at 6.76e+05 assign (resid 60 and name HB2 ) (resid 64 and name HH2 ) 4.0 2.2 2.0 ! A.179 at 1.58e+07 assign (resid 60 and name HB2 ) (resid 64 and name HZ2 ) 4.0 2.2 2.0 ! A.172 at 1.54e+07 assign (resid 60 and name HG2 ) (resid 64 and name HZ2 ) 4.0 2.2 2.0 ! A.171 at 2.50e+07 assign (resid 60 and name HE# ) (resid 64 and name HZ2 ) 4.0 2.2 1.5 ! A.10 at 6.42e+07 assign (resid 60 and name HE# ) (resid 74 and name HD1# ) 3.0 1.2 1.3 ! A.266 at 1.81e+06 ! C61 ! C61 assign (resid 61 and name HA ) (resid 64 and name HD1 ) 4.0 2.2 2.0 ! A.552 at -5.19e+05 !assign (resid 61 and name HA ) (resid 64 and name HE3 ) 4.0 2.2 1.0 ! A.551 at -9.05e+05 assign (resid 61 and name HA ) (resid 64 and name HB# ) 4.0 2.2 2.0 ! A.212 at 7.79e+05 assign (resid 61 and name HB1 ) (resid 70 and name HG2# ) 4.0 2.2 2.5 ! A.979 at 5.90e+05 assign (resid 61 and name HB2 ) (resid 70 and name HG2# ) 4.0 2.2 1.5 ! A.126 at 9.88e+05 assign (resid 61 and name HB2 ) (resid 70 and name HD1# ) 4.0 2.2 1.5 ! A.983 at 8.16e+05 assign (resid 61 and name HA ) (resid 70 and name HD1# ) 4.0 2.2 1.5 ! A.214 at 8.54e+05 assign (resid 61 and name HA ) (resid 70 and name HG2# ) 4.0 2.2 2.5 ! A.213 at 7.95e+05 ! E62 ! E62 assign (resid 62 and name HG2 ) (resid 62 and name HA ) 4.0 2.2 1.0 ! A.989 at -1.43e+06 assign (resid 62 and name HG1 ) (resid 62 and name HA ) 4.0 2.2 1.0 ! A.988 at -1.17e+06 ! K63 ! K63 assign (resid 63 and name HA ) (resid 63 and name HG2 ) 4.0 2.2 1.0 ! A.1004 at 1.29e+06 assign (resid 63 and name HE# ) (resid 63 and name HG1 ) 4.0 2.2 2.0 ! A.1002 at -6.24e+05 assign (resid 63 and name HA ) (resid 63 and name HG1 ) 4.0 2.2 1.0 ! A.1000 at 8.91e+05 assign (resid 63 and name HG2 ) (resid 63 and name HE# ) 3.0 1.2 0.3 ! A.1007 at -1.81e+06 assign (resid 63 and name HD# ) (resid 63 and name HA ) 4.0 2.2 1.0 ! A.994 at 1.11e+06 ! W64 ! W64 assign (resid 64 and name HD1 ) (resid 64 and name HA ) 4.0 2.2 1.0 ! A.137 at 3.34e+07 assign (resid 64 and name HE3 ) (resid 64 and name HB# ) 4.0 2.2 1.0 ! A.230 at -8.26e+05 assign (resid 64 and name HZ2 ) (resid 64 and name HH2 ) 3.0 1.2 0.3 ! A.170 at 1.96e+08 assign (resid 64 and name HD1 ) (resid 64 and name HB# ) 4.0 2.2 1.0 ! A.231 at -8.31e+05 assign (resid 64 and name HA ) (resid 64 and name HD1 ) 4.0 2.2 2.0 ! A.393 at -6.29e+05 assign (resid 64 and name HE3 ) (resid 64 and name HA ) 4.0 2.2 2.0 ! A.229 at -5.55e+05 assign (resid 64 and name HD1 ) (resid 65 and name HB2 ) 4.0 2.2 2.0 ! A.145 at 1.27e+07 assign (resid 64 and name HB# ) (resid 69 and name HB1 ) 4.0 2.2 2.0 ! A.1037 at -5.78e+05 assign (resid 64 and name HD1 ) (resid 70 and name HA ) 4.0 2.2 2.0 ! A.375 at 1.32e+07 assign (resid 64 and name HH2 ) (resid 70 and name HA ) 4.0 2.2 2.0 ! A.376 at 1.20e+07 assign (resid 64 and name HE3 ) (resid 70 and name HA ) 4.0 2.2 1.0 ! A.374 at 2.82e+07 assign (resid 64 and name HD1 ) (resid 70 and name HG12 ) 4.0 2.2 2.0 ! A.144 at 1.61e+07 assign (resid 64 and name HH2 ) (resid 70 and name HG2# ) 4.0 2.2 1.5 ! A.282 at 4.32e+07 assign (resid 64 and name HE3 ) (resid 73 and name HD# ) 4.0 2.2 1.5 ! A.78 at 3.91e+07 assign (resid 64 and name HZ2 ) (resid 70 and name HG12 ) 4.0 2.2 2.0 ! A.173 at 1.78e+07 assign (resid 64 and name HD1 ) (resid 70 and name HG2# ) 4.0 2.2 1.5 ! A.286 at 5.49e+07 assign (resid 64 and name HD1 ) (resid 70 and name HD1# ) 4.0 2.2 1.5 ! A.32 at 1.14e+08 assign (resid 64 and name HB# ) (resid 70 and name HD1# ) 4.0 2.2 2.5 ! A.1009 at 5.50e+05 ! K65 !assign (resid 64 and name HE3 ) (resid 70 and name HD1# ) 4.0 2.2 1.5 ! A.33 at 2.64e+07 assign (resid 64 and name HH2 ) (resid 73 and name HE# ) 4.0 2.2 2.0 ! A.122 at 2.38e+07 assign (resid 64 and name HZ2 ) (resid 73 and name HG1 ) 4.0 2.2 2.0 ! A.121 at 2.23e+07 assign (resid 64 and name HZ2 ) (resid 74 and name HD1# ) 4.0 2.2 2.5 ! A.174 at 1.02e+07 ! K65 assign (resid 65 and name HA ) (resid 65 and name HD# ) 4.0 2.2 2.0 ! A.1016 at 6.64e+05 assign (resid 65 and name HA ) (resid 65 and name HG# ) 4.0 2.2 1.0 ! A.1011 at 1.32e+06 assign (resid 65 and name HA ) (resid 70 and name HD1# ) 4.0 2.2 1.5 ! A.491 at 1.13e+06 ! S66 ! K67 ! S66 ! K67 assign (resid 67 and name HA ) (resid 67 and name HG2 ) 4.0 2.2 2.0 ! A.1027 at 5.50e+05 assign (resid 67 and name HE# ) (resid 67 and name HG2 ) 4.0 2.2 1.0 ! A.1028 at -1.78e+06 assign (resid 67 and name HE# ) (resid 67 and name HG1 ) 3.0 1.2 0.3 ! A.1012 at -3.74e+06 assign (resid 67 and name HE# ) (resid 67 and name HB1 ) 4.0 2.2 1.0 ! A.1014 at 9.18e+05 assign (resid 67 and name HA ) (resid 70 and name HD1# ) 4.0 2.2 1.5 ! A.562 at 1.46e+06 ! E68 assign (resid 67 and name HA ) (resid 70 and name HB ) 4.0 2.2 1.0 ! A.1022 at -9.82e+05 assign (resid 67 and name HE# ) (resid 71 and name HD1# ) 4.0 2.2 1.5 ! A.316 at -1.05e+06 ! E68 ! D69 assign (resid 69 and name HA ) (resid 72 and name HB# ) 3.0 1.2 0.3 ! A.681 at 2.33e+06 assign (resid 69 and name HB2 ) (resid 72 and name HB# ) 4.0 2.2 2.0 ! A.684 at -9.05e+05 ! I70 ! I70 assign (resid 70 and name HA ) (resid 70 and name HG11 ) 4.0 2.2 1.0 ! A.798 at 9.08e+05 assign (resid 70 and name HA ) (resid 70 and name HG12 ) 4.0 2.2 1.0 ! A.1043 at 1.06e+06 assign (resid 70 and name HG2# ) (resid 70 and name HA ) 3.0 1.2 0.8 ! A.92 at 2.59e+06 assign (resid 70 and name HD1# ) (resid 70 and name HA ) 4.0 2.2 1.5 ! A.194 at 1.08e+06 assign (resid 70 and name HD1# ) (resid 70 and name HB ) 3.0 1.2 0.8 ! A.268 at -2.19e+06 assign (resid 70 and name HG2# ) (resid 71 and name HA ) 4.0 2.2 1.5 ! A.123 at 9.45e+05 assign (resid 70 and name HA ) (resid 73 and name HD# ) 4.0 2.2 1.5 ! A.379 at 1.61e+08 assign (resid 70 and name HA ) (resid 73 and name HB2 ) 4.0 2.2 1.0 ! A.583 at 1.44e+06 assign (resid 70 and name HG2# ) (resid 74 and name HD1# ) 4.0 2.2 2.0 ! A.131 at 8.20e+05 assign (resid 70 and name HG2# ) (resid 74 and name HD2# ) 3.0 1.2 1.3 ! A.365 at 3.08e+06 assign (resid 70 and name HG2# ) (resid 74 and name HG ) 4.0 2.2 1.5 ! A.369 at 8.18e+05 assign (resid 70 and name HG2# ) (resid 74 and name HB2 ) 4.0 2.2 2.5 ! A.368 at -5.42e+05 ! L71 ! L71 assign (resid 71 and name HA ) (resid 71 and name HD1# ) 4.0 2.2 1.5 ! A.315 at 1.56e+06 assign (resid 71 and name HB1 ) (resid 71 and name HD1# ) 3.0 1.2 0.8 ! A.319 at -2.18e+06 assign (resid 71 and name HB2 ) (resid 71 and name HD1# ) 3.0 1.2 0.8 ! A.320 at -2.09e+06 assign (resid 71 and name HA ) (resid 71 and name HD2# ) 3.0 1.2 0.8 ! A.278 at 4.63e+06 assign (resid 71 and name HB2 ) (resid 71 and name HD2# ) 4.0 2.2 1.5 ! A.581 at -1.69e+06 assign (resid 71 and name HB1 ) (resid 71 and name HD2# ) 3.0 1.2 0.8 ! A.283 at -2.43e+06 ! H72 ! H72 assign (resid 72 and name HD2 ) (resid 72 and name HB# ) 4.0 2.2 1.0 ! A.226 at -8.22e+05 assign (resid 72 and name HD2 ) (resid 72 and name HA ) 4.0 2.2 2.0 ! A.241 at 1.51e+07 assign (resid 72 and name HD2 ) (resid 73 and name HD# ) 4.0 2.2 2.0 ! A.191 at 2.41e+07 assign (resid 72 and name HA ) (resid 75 and name HB2 ) 3.0 1.2 0.3 ! A.96 at -1.84e+06 assign (resid 72 and name HA ) (resid 75 and name HB1 ) 4.0 2.2 1.0 ! A.95 at -1.37e+06 ! K73 ! K73 assign (resid 73 and name HA ) (resid 73 and name HD# ) 4.0 2.2 1.0 ! A.1056 at 1.53e+06 assign (resid 73 and name HA ) (resid 73 and name HG1 ) 4.0 2.2 1.0 ! A.1053 at 8.07e+05 assign (resid 73 and name HG1 ) (resid 73 and name HE# ) 4.0 2.2 2.0 ! A.1051 at -7.91e+05 assign (resid 73 and name HG2 ) (resid 73 and name HA ) 4.0 2.2 2.0 ! A.545 at 5.39e+05 assign (resid 73 and name HA ) (resid 76 and name HB# ) 3.0 1.2 0.3 ! A.97 at 2.06e+06 ! L74 ! L74 assign (resid 74 and name HD1# ) (resid 74 and name HB1 ) 3.0 1.2 0.8 ! A.317 at 2.20e+08 assign (resid 74 and name HD1# ) (resid 74 and name HA ) 2.5 0.7 0.7 ! A.310 at 3.31e+08 assign (resid 74 and name HB1 ) (resid 74 and name HD2# ) 4.0 2.2 1.5 ! A.355 at -1.71e+06 assign (resid 74 and name HB2 ) (resid 74 and name HD2# ) 4.0 2.2 1.5 ! A.354 at -1.60e+06 assign (resid 74 and name HA ) (resid 74 and name HD1# ) 3.0 1.2 0.8 ! A.257 at 3.54e+06 assign (resid 74 and name HB1 ) (resid 74 and name HD1# ) 4.0 2.2 1.5 ! A.260 at -1.22e+06 assign (resid 74 and name HB2 ) (resid 74 and name HD1# ) 4.0 2.2 1.5 ! A.259 at -1.12e+06 assign (resid 74 and name HD2# ) (resid 74 and name HA ) 3.0 1.2 0.8 ! A.557 at 2.44e+06 assign (resid 74 and name HD2# ) (resid 78 and name HE3 ) 4.0 2.2 2.5 ! A.591 at -6.07e+05 ! N75 assign (resid 74 and name HD1# ) (resid 78 and name HE3 ) 4.0 2.2 2.5 ! A.256 at -5.70e+05 !assign (resid 74 and name HD2# ) (resid 78 and name HH2 ) 4.0 2.2 2.5 ! A.592 at -7.64e+05 ! N75 assign (resid 75 and name HA ) (resid 76 and name HA ) 4.0 2.2 2.0 ! A.572 at 6.92e+05 ! E76 ! E76 !assign (resid 76 and name HG2 ) (resid 76 and name HA ) 3.0 1.2 0.3 ! A.571 at -2.04e+06 assign (resid 76 and name HA ) (resid 79 and name HB2 ) 4.0 2.2 1.0 ! A.101 at -8.37e+05 assign (resid 76 and name HA ) (resid 79 and name HB1 ) 4.0 2.2 2.0 ! A.102 at -7.31e+05 ! Q77 ! Q77 assign (resid 77 and name HG# ) (resid 77 and name HA ) 4.0 2.2 1.0 ! A.468 at -1.52e+06 assign (resid 77 and name HA ) (resid 80 and name HG# ) 4.0 2.2 1.0 ! A.563 at 1.40e+06 ! W78 ! N79 ! K80 ! W78 !assign (resid 78 and name HZ2 ) (resid 78 and name HH2 ) 4.0 2.2 1.0 ! A.168 at 6.94e+07 ! N79 ! K80 assign (resid 80 and name HA ) (resid 80 and name HD# ) 4.0 2.2 1.0 ! A.1086 at 8.17e+05 assign (resid 80 and name HA ) (resid 80 and name HG# ) 4.0 2.2 1.0 ! A.1081 at 1.43e+06 assign (resid 80 and name HE# ) (resid 80 and name HG# ) 4.0 2.2 1.0 ! A.1080 at -1.79e+06 ! D81 ! D81 !@ END_XPLR_NOE_FILE
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