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 |
|
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526943 |
2lmf   |
18114 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!The following are distance restraints for human LL-23 in complex with DPC micells determined by Guangshun Wang. !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! 1 assign (resid 1 and name HA ) (resid 1 and name HD1# ) 3.0 1.2 1.8 ! A.59 at 5.42e+04 assign (resid 1 and name HA ) (resid 1 and name HD2# ) 3.0 1.2 1.8 ! A.66 at 5.97e+04 ! 2 assign (resid 2 and name HD1# ) (resid 2 and name HA ) 3.0 1.2 1.8 ! A.65 at 8.22e+04 assign (resid 2 and name HD2# ) (resid 2 and name HA ) 2.5 0.7 1.7 ! A.60 at 2.06e+05 assign (resid 2 and name HD1# ) (resid 5 and name HE# ) 3.0 1.2 3.0 ! A.9 at 9.47e+03 assign (resid 2 and name HD1# ) (resid 5 and name HB2 ) 4.0 2.2 2.5 ! A.85 at 1.15e+04 assign (resid 2 and name HD2# ) (resid 5 and name HB2 ) 4.0 2.2 2.5 ! A.84 at 1.30e+04 assign (resid 2 and name HD2# ) (resid 5 and name HD# ) 3.0 1.2 2.0 ! A.3 at 2.60e+04 assign (resid 2 and name HD1# ) (resid 5 and name HD# ) 3.0 1.2 2.0 ! A.2 at 3.17e+04 assign (resid 2 and name HD1# ) (resid 6 and name HZ ) 4.0 2.2 2.5 ! A.8 at 1.66e+04 assign (resid 2 and name HD* ) (resid 6 and name HE# ) 3.0 1.2 2.3 ! A.5 at 3.59e+04 assign (resid 2 and name HD* ) (resid 6 and name HD# ) 3.0 1.2 2.3 ! A.4 at 4.51e+04 ! 3 assign (resid 3 and name HA2 ) (resid 6 and name HD# ) 4.0 2.2 1.5 ! A.33 at 3.24e+04 ! 4 assign (resid 4 and name HA ) (resid 7 and name HG1 ) 4.0 2.2 2.0 ! A.38 at 9.80e+03 assign (resid 4 and name HA ) (resid 7 and name HB2 ) 4.0 2.2 1.0 ! A.37 at 2.28e+04 assign (resid 4 and name HA ) (resid 7 and name HB1 ) 4.0 2.2 1.0 ! A.36 at 2.45e+04 assign (resid 4 and name HA ) (resid 7 and name HE ) 4.0 2.2 1.0 ! pH 5.4! ! 5 assign (resid 5 and name HD# ) (resid 5 and name HA ) 3.0 1.2 0.8 ! A.25 at 1.03e+05 assign (resid 5 and name HD# ) (resid 5 and name HB1 ) 3.0 1.2 0.8 ! A.89 at 1.05e+05 assign (resid 5 and name HD# ) (resid 5 and name HB2 ) 2.5 0.7 0.7 ! A.90 at 1.08e+05 assign (resid 5 and name HB2 ) (resid 6 and name HD# ) 4.0 2.2 2.5 ! A.99 at 1.08e+04 assign (resid 5 and name HD# ) (resid 6 and name HB2 ) 4.0 2.2 2.5 ! A.100 at 1.14e+04 assign (resid 5 and name HD# ) (resid 6 and name HD# ) 4.0 2.2 2.0 ! A.1 at 2.58e+04 assign (resid 5 and name HD# ) (resid 6 and name HA ) 4.0 2.2 1.5 ! A.26 at 2.82e+04 assign (resid 5 and name HD# ) (resid 8 and name HB# ) 4.0 2.2 3.0 ! A.101 at 1.34e+04 assign (resid 5 and name HD# ) (resid 8 and name HD1 ) 4.0 2.2 2.5 ! A.102 at 1.94e+04 assign (resid 5 and name HE# ) (resid 13 and name HD1# ) 4.0 2.2 4.5 ! A.13 at 1.40e+04 ! 6 assign (resid 6 and name HD# ) (resid 6 and name HB2 ) 3.0 1.2 0.8 ! A.96 at 8.49e+04 assign (resid 6 and name HD# ) (resid 6 and name HB1 ) 3.0 1.2 0.8 ! A.95 at 9.56e+04 assign (resid 6 and name HD# ) (resid 6 and name HA ) 2.5 0.7 0.7 ! A.32 at 1.28e+05 !assign (resid 6 and name HD# ) (resid 7 and name HG1 ) 4.0 2.2 1.5 ! A.107 at 3.03e+04 assign (resid 6 and name HA ) (resid 9 and name HB2 ) 4.0 2.2 2.0 ! A.51 at 1.33e+04 assign (resid 6 and name HA ) (resid 9 and name HB1 ) 4.0 2.2 1.0 ! A.52 at 2.16e+04 assign (resid 6 and name HE# ) (resid 10 and name HE# ) 4.0 2.2 3.0 ! A.97 at 1.38e+04 assign (resid 6 and name HD# ) (resid 10 and name HA ) 4.0 2.2 2.5 ! A.34 at 1.44e+04 assign (resid 6 and name HE# ) (resid 10 and name HG# ) 4.0 2.2 3.0 ! A.14 at 1.64e+04 assign (resid 6 and name HD# ) (resid 10 and name HD1 ) 4.0 2.2 1.5 ! A.104 at 2.79e+04 assign (resid 6 and name HD# ) (resid 10 and name HB2 ) 4.0 2.2 1.5 ! A.108 at 3.27e+04 assign (resid 6 and name HE# ) (resid 13 and name HD1# ) 4.0 2.2 4.5 ! A.12 at 2.46e+04 ! 7 assign (resid 7 and name HA ) (resid 10 and name HG# ) 4.0 2.2 2.5 ! A.58 at 1.11e+04 ! 8 assign (resid 8 and name HA ) (resid 11 and name HG1 ) 4.0 2.2 2.0 ! A.68 at 1.15e+04 assign (resid 8 and name HA ) (resid 11 and name HG2 ) 4.0 2.2 2.0 ! A.67 at 1.82e+04 assign (resid 8 and name HA ) (resid 11 and name HB# ) 3.0 1.2 0.8 ! A.69 at 5.18e+04 ! 9 assign (resid 9 and name HA ) (resid 13 and name HD1# ) 4.0 2.2 2.5 ! A.63 at 1.32e+04 assign (resid 9 and name HB2 ) (resid 13 and name HD1# ) 4.0 2.2 2.5 ! A.61 at 1.38e+04 ! 10 assign (resid 10 and name HG# ) (resid 11 and name HA ) 4.0 2.2 2.5 ! A.57 at 1.13e+04 ! 11 assign (resid 11 and name HG1 ) (resid 11 and name HA ) 3.0 1.2 0.3 ! A.70 at 3.99e+04 assign (resid 11 and name HG2 ) (resid 11 and name HA ) 3.0 1.2 0.3 ! A.71 at 4.31e+04 ! 12 assign (resid 12 and name HA ) (resid 13 and name HD1# ) 4.0 2.2 2.5 ! A.62 at 1.02e+04 ! 13 assign (resid 13 and name HA ) (resid 16 and name HG1 ) 4.0 2.2 2.0 ! A.77 at 8.11e+03 assign (resid 13 and name HA ) (resid 16 and name HG2 ) 4.0 2.2 2.0 ! A.76 at 9.43e+03 assign (resid 13 and name HA ) (resid 16 and name HB1 ) 4.0 2.2 2.0 ! A.74 at 1.77e+04 assign (resid 13 and name HA ) (resid 16 and name HB2 ) 4.0 2.2 1.0 ! A.75 at 2.74e+04 assign (resid 13 and name HG2# ) (resid 17 and name HE# ) 4.0 2.2 2.0 ! A.7 at 2.81e+04 assign (resid 13 and name HG2# ) (resid 17 and name HD# ) 3.0 1.2 1.3 ! A.6 at 6.17e+04 ! 14 assign (resid 14 and name HN ) (resid 17 and name HN ) 4.0 2.2 2.0 ! A.114 at 8.01e+03 assign (resid 14 and name HA2 ) (resid 17 and name HD# ) 4.0 2.2 2.5 ! A.31 at 1.20e+04 assign (resid 14 and name HA2 ) (resid 17 and name HB1 ) 4.0 2.2 2.0 ! A.47 at 1.69e+04 assign (resid 14 and name HA2 ) (resid 17 and name HB2 ) 4.0 2.2 1.0 ! A.50 at 1.92e+04 ! 15 ! 16 assign (resid 16 and name HG1 ) (resid 16 and name HA ) 4.0 2.2 1.0 ! A.45 at 2.30e+04 assign (resid 16 and name HG2 ) (resid 16 and name HA ) 4.0 2.2 1.0 ! A.46 at 2.65e+04 assign (resid 16 and name HA ) (resid 19 and name HD2 ) 4.0 2.2 2.0 ! A.40 at 9.33e+03 assign (resid 16 and name HA ) (resid 19 and name HG# ) 4.0 2.2 2.0 ! A.42 at 1.17e+04 assign (resid 16 and name HA ) (resid 19 and name HB# ) 3.0 1.2 1.5 ! A.41 at 2.51e+04 assign (resid 16 and name HA ) (resid 20 and name HD1# ) 4.0 2.2 2.5 ! A.82 at 8.53e+03 assign (resid 16 and name HA ) (resid 20 and name HN ) 4.0 2.2 2.0 ! A.124 at 1.01e+04 assign (resid 16 and name HA ) (resid 19 and name HE ) 4.0 2.2 1.0 ! pH5.4 ! 17 assign (resid 17 and name HE# ) (resid 17 and name HB1 ) 4.0 2.2 2.5 ! A.93 at 1.55e+04 assign (resid 17 and name HE# ) (resid 17 and name HA ) 4.0 2.2 2.5 ! A.28 at 1.67e+04 assign (resid 17 and name HE# ) (resid 17 and name HB2 ) 4.0 2.2 2.5 ! A.94 at 1.67e+04 assign (resid 17 and name HD# ) (resid 17 and name HB1 ) 3.0 1.2 0.8 ! A.92 at 7.77e+04 assign (resid 17 and name HD# ) (resid 17 and name HB2 ) 3.0 1.2 0.8 ! A.91 at 7.94e+04 assign (resid 17 and name HD# ) (resid 17 and name HA ) 3.0 1.2 0.8 ! A.27 at 8.63e+04 assign (resid 17 and name HE# ) (resid 18 and name HA ) 4.0 2.2 2.5 ! A.30 at 9.83e+03 assign (resid 17 and name HD# ) (resid 18 and name HG# ) 4.0 2.2 3.0 ! A.103 at 1.47e+04 assign (resid 17 and name HD# ) (resid 18 and name HB2 ) 4.0 2.2 1.5 ! A.106 at 2.09e+04 assign (resid 17 and name HD# ) (resid 18 and name HD2 ) 4.0 2.2 1.5 ! A.105 at 2.18e+04 assign (resid 17 and name HD# ) (resid 18 and name HA ) 4.0 2.2 1.5 ! A.29 at 3.41e+04 assign (resid 17 and name HN ) (resid 19 and name HN ) 4.0 2.2 2.0 ! A.113 at 9.42e+03 assign (resid 17 and name HA ) (resid 20 and name HG12 ) 4.0 2.2 2.0 ! A.55 at 1.43e+04 assign (resid 17 and name HB1 ) (resid 20 and name HG2# ) 4.0 2.2 1.5 ! A.88 at 1.88e+04 assign (resid 17 and name HB2 ) (resid 20 and name HG2# ) 4.0 2.2 1.5 ! A.86 at 3.25e+04 assign (resid 17 and name HA ) (resid 20 and name HD1# ) 2.5 0.7 2.7 ! A.64 at 1.12e+05 assign (resid 17 and name HB2 ) (resid 21 and name HG* ) 4.0 2.2 2.5 ! A.87 at 1.12e+04 assign (resid 17 and name HA ) (resid 21 and name HG* ) 4.0 2.2 2.5 ! A.56 at 1.54e+04 assign (resid 17 and name HE# ) (resid 21 and name HG* ) 3.0 1.2 2.3 ! A.11 at 6.61e+04 assign (resid 17 and name HD# ) (resid 21 and name HG* ) 3.0 1.2 2.3 ! A.10 at 1.03e+05 ! 18 assign (resid 18 and name HG# ) (resid 18 and name HA ) 3.0 1.2 1.8 ! A.54 at 3.74e+04 assign (resid 18 and name HA ) (resid 21 and name HG* ) 2.5 0.7 2.7 ! A.53 at 1.20e+05 assign (resid 18 and name HA ) (resid 23 and name HN ) 4.0 2.2 2.0 ! A.121 at 9.40e+03 ! 19 assign (resid 19 and name HA ) (resid 22 and name HG# ) 4.0 2.2 2.5 ! A.78 at 1.26e+04 ! 20 assign (resid 20 and name HA ) (resid 22 and name HG# ) 4.0 2.2 2.5 ! A.79 at 9.06e+03 ! 21 assign (resid 21 and name HA ) (resid 22 and name HG# ) 4.0 2.2 2.5 ! A.80 at 9.44e+03 assign (resid 21 and name HG1# ) (resid 22 and name HG# ) 4.0 2.2 2.0 ! A.83 at 2.48e+04 ! 22 assign (resid 22 and name HG# ) (resid 22 and name HA ) 3.0 1.2 1.8 ! A.81 at 9.43e+04 ! 23 !additional ! ! 1 assign (resid 1 and name HA ) (resid 2 and name HN ) 2.5 0.7 0.4 ! A.38 at 2.05e+05 assign (resid 1 and name HA ) (resid 3 and name HN ) 4.0 2.2 1.0 ! A.49 at 2.02e+04 assign (resid 1 and name HA ) (resid 4 and name HN ) 4.0 2.2 1.0 ! ! 2 assign (resid 2 and name HD* ) (resid 2 and name HN ) 3.0 1.2 2.5 ! A.41 at 4.08e+04 assign (resid 2 and name HB1 ) (resid 2 and name HN ) 2.5 0.7 0.4 ! A.39 at 2.10e+05 assign (resid 2 and name HB2 ) (resid 2 and name HN ) 2.5 0.7 0.4 ! A.40 at 2.18e+05 assign (resid 2 and name HG ) (resid 3 and name HN ) 3.0 1.2 0.5 ! A.52 at 4.46e+04 assign (resid 2 and name HB1 ) (resid 3 and name HN ) 3.0 1.2 0.5 ! A.50 at 5.56e+04 assign (resid 2 and name HB2 ) (resid 3 and name HN ) 3.0 1.2 0.5 ! A.51 at 6.44e+04 assign (resid 2 and name HA ) (resid 3 and name HN ) 3.0 1.2 0.8 ! A.48 at 7.27e+04 assign (resid 2 and name HN ) (resid 3 and name HN ) 3.0 1.2 0.8 ! A.43 at 9.78e+04 assign (resid 2 and name HA ) (resid 4 and name HN ) 4.0 2.2 1.0 ! assign (resid 2 and name HD* ) (resid 5 and name HN ) 4.0 2.2 2.5 ! A.71 at 1.55e+04 assign (resid 2 and name HG ) (resid 5 and name HN ) 4.0 2.2 1.0 ! A.70 at 1.91e+04 assign (resid 2 and name HB2 ) (resid 6 and name HN ) 4.0 2.2 2.0 ! A.85 at 1.24e+04 assign (resid 2 and name HB1 ) (resid 6 and name HN ) 4.0 2.2 2.0 ! A.84 at 1.69e+04 ! 3 assign (resid 3 and name HN ) (resid 4 and name HN ) 3.0 1.2 0.5 ! A.42 at 6.97e+04 assign (resid 3 and name HA1 ) (resid 4 and name HN ) 3.0 1.2 0.8 ! assign (resid 3 and name HA2 ) (resid 4 and name HN ) 3.0 1.2 0.8 ! assign (resid 3 and name HN ) (resid 5 and name HN ) 4.0 1.0 1.0 ! A.73 at 5.48e+04 assign (resid 3 and name HA2 ) (resid 6 and name HN ) 3.0 1.2 0.8 ! A.4 at 3.64e+04 assign (resid 3 and name HN ) (resid 6 and name HN ) 4.0 2.2 1.0 ! A.44 at 3.73e+04 ! 4 assign (resid 4 and name HB1 ) (resid 4 and name HN ) 3.0 1.2 0.8 ! assign (resid 4 and name HB2 ) (resid 4 and name HN ) 3.0 1.2 0.8 ! assign (resid 4 and name HA ) (resid 5 and name HN ) 3.0 1.2 0.8 ! A.54 at 5.80e+04 assign (resid 4 and name HB2 ) (resid 5 and name HN ) 3.0 1.2 0.8 ! A.69 at 6.16e+04 assign (resid 4 and name HB1 ) (resid 5 and name HN ) 3.0 1.2 0.8 ! A.68 at 9.05e+04 assign (resid 4 and name HN ) (resid 5 and name HN ) 2.5 0.7 0.4 ! A.74 at 1.78e+05 assign (resid 4 and name HA ) (resid 6 and name HN ) 4.0 2.2 1.0 ! assign (resid 4 and name HA ) (resid 7 and name HN ) 3.0 1.2 0.8 ! A.6 at 5.89e+04 assign (resid 4 and name HA ) (resid 8 and name HN ) 4.0 2.2 1.0 ! A.101 at 2.36e+04 ! 5 assign (resid 5 and name HD# ) (resid 5 and name HN ) 4.0 2.2 1.5 ! A.75 at 2.37e+04 assign (resid 5 and name HB2 ) (resid 5 and name HN ) 2.5 0.7 1.4 ! A.67 at 2.00e+05 assign (resid 5 and name HB1 ) (resid 5 and name HN ) 2.5 0.7 1.4 ! A.66 at 2.15e+05 assign (resid 5 and name HD# ) (resid 6 and name HN ) 4.0 2.2 1.5 ! A.79 at 3.00e+04 assign (resid 5 and name HA ) (resid 6 and name HN ) 3.0 1.2 0.8 ! A.3 at 6.26e+04 assign (resid 5 and name HN ) (resid 6 and name HN ) 2.5 0.7 0.4 ! A.72 at 1.16e+05 assign (resid 5 and name HB2 ) (resid 6 and name HN ) 2.5 0.7 1.4 ! A.83 at 1.18e+05 assign (resid 5 and name HA ) (resid 8 and name HN ) 3.0 1.2 0.8 ! A.100 at 3.58e+04 ! 6 assign (resid 6 and name HD# ) (resid 6 and name HN ) 4.0 2.2 1.5 ! A.80 at 1.88e+04 assign (resid 6 and name HB# ) (resid 6 and name HN ) 2.5 0.7 1.9 ! A.82 at 2.91e+05 assign (resid 6 and name HD# ) (resid 7 and name HN ) 4.0 2.2 1.5 ! A.86 at 2.01e+04 assign (resid 6 and name HA ) (resid 7 and name HN ) 3.0 1.2 0.8 ! A.5 at 5.66e+04 assign (resid 6 and name HN ) (resid 7 and name HN ) 2.5 0.7 0.4 ! A.87 at 1.22e+05 assign (resid 6 and name HB# ) (resid 7 and name HN ) 2.5 0.7 1.9 ! A.92 at 1.50e+05 ! 7 assign (resid 7 and name HG# ) (resid 7 and name HN ) 3.0 1.2 1.0 ! A.95 at 4.64e+04 assign (resid 7 and name HB2 ) (resid 7 and name HN ) 2.5 0.7 1.4 ! A.94 at 1.18e+05 assign (resid 7 and name HB1 ) (resid 7 and name HN ) 2.5 0.7 1.4 ! A.93 at 2.25e+05 assign (resid 7 and name HA ) (resid 8 and name HN ) 3.0 1.2 0.8 ! A.99 at 4.23e+04 assign (resid 7 and name HB1 ) (resid 8 and name HN ) 3.0 1.2 0.5 ! A.105 at 9.29e+04 assign (resid 7 and name HN ) (resid 8 and name HN ) 2.5 0.7 0.4 ! A.88 at 2.13e+05 assign (resid 7 and name HA ) (resid 10 and name HN ) 3.0 1.2 0.8 ! A.109 at 3.78e+04 assign (resid 7 and name HA ) (resid 11 and name HN ) 4.0 2.2 1.0 ! A.114 at 1.87e+04 ! 8 assign (resid 8 and name HG# ) (resid 8 and name HN ) 3.0 1.2 2.0 ! A.104 at 8.13e+04 assign (resid 8 and name HB# ) (resid 8 and name HN ) 2.5 0.7 1.9 ! A.103 at 1.92e+05 assign (resid 8 and name HG# ) (resid 9 and name HN ) 4.0 2.2 1.5 ! A.106 at 1.79e+04 assign (resid 8 and name HB# ) (resid 9 and name HN ) 3.0 1.2 2.0 ! A.56 at 7.73e+04 assign (resid 8 and name HN ) (resid 9 and name HN ) 2.5 0.7 0.4 ! A.107 at 1.27e+05 assign (resid 8 and name HN ) (resid 11 and name HN ) 4.0 2.2 1.0 ! A.117 at 4.10e+04 assign (resid 8 and name HA ) (resid 11 and name HN ) 3.0 1.2 0.8 ! A.11 at 5.03e+04 ! 9 assign (resid 9 and name HB2 ) (resid 9 and name HN ) 3.0 1.2 0.5 ! A.15 at 8.17e+04 assign (resid 9 and name HB1 ) (resid 9 and name HN ) 2.5 0.7 1.4 ! A.14 at 1.20e+05 assign (resid 9 and name HB2 ) (resid 10 and name HN ) 3.0 1.2 0.8 ! A.13 at 4.93e+04 assign (resid 9 and name HA ) (resid 10 and name HN ) 3.0 1.2 0.8 ! A.17 at 9.85e+04 ! 10 assign (resid 10 and name HG# ) (resid 10 and name HN ) 3.0 1.2 2.0 ! A.113 at 8.71e+04 assign (resid 10 and name HB# ) (resid 10 and name HN ) 2.5 0.7 1.9 ! A.112 at 1.61e+05 assign (resid 10 and name HG# ) (resid 11 and name HN ) 3.0 1.2 2.0 ! A.59 at 3.48e+04 assign (resid 10 and name HA ) (resid 11 and name HN ) 3.0 1.2 0.8 ! A.10 at 5.37e+04 assign (resid 10 and name HB# ) (resid 11 and name HN ) 3.0 1.2 2.0 ! A.58 at 8.51e+04 assign (resid 10 and name HN ) (resid 11 and name HN ) 2.5 0.7 0.4 ! A.111 at 2.02e+05 assign (resid 10 and name HA ) (resid 12 and name HN ) 4.0 2.2 1.0 ! A.121 at 2.97e+04 assign (resid 10 and name HN ) (resid 13 and name HD1# ) 4.0 2.2 2.5 ! assign (resid 10 and name HN ) (resid 13 and name HG12 ) 4.0 2.2 2.0 ! ! 11 assign (resid 11 and name HG# ) (resid 11 and name HN ) 3.0 1.2 2.0 ! A.115 at 5.83e+04 assign (resid 11 and name HB2 ) (resid 11 and name HN ) 2.5 0.7 1.4 ! A.57 at 3.11e+05 assign (resid 11 and name HG# ) (resid 12 and name HN ) 4.0 2.2 1.5 ! A.128 at 1.96e+04 assign (resid 11 and name HA ) (resid 12 and name HN ) 3.0 1.2 0.8 ! A.120 at 7.34e+04 assign (resid 11 and name HB2 ) (resid 12 and name HN ) 2.5 0.7 0.4 ! A.126 at 1.93e+05 assign (resid 11 and name HN ) (resid 12 and name HN ) 2.5 0.7 0.4 ! A.116 at 2.24e+05 assign (resid 11 and name HA ) (resid 13 and name HN ) 4.0 2.2 1.0 ! A.130 at 1.95e+04 ! 12 assign (resid 12 and name HD# ) (resid 12 and name HN ) 3.0 1.2 2.0 ! A.125 at 6.96e+04 assign (resid 12 and name HG# ) (resid 12 and name HN ) 2.5 0.7 1.9 ! A.123 at 1.09e+05 assign (resid 12 and name HB# ) (resid 12 and name HN ) 2.5 0.7 1.9 ! A.124 at 3.37e+05 assign (resid 12 and name HG# ) (resid 13 and name HN ) 4.0 2.2 2.5 ! A.134 at 3.15e+04 assign (resid 12 and name HA ) (resid 13 and name HN ) 3.0 1.2 0.8 ! A.129 at 5.90e+04 assign (resid 12 and name HB# ) (resid 13 and name HN ) 2.5 0.7 1.9 ! A.133 at 1.08e+05 assign (resid 12 and name HN ) (resid 13 and name HN ) 2.5 0.7 0.4 ! A.131 at 1.36e+05 assign (resid 12 and name HA ) (resid 14 and name HN ) 4.0 2.2 1.0 ! A.136 at 2.81e+04 ! 13 assign (resid 13 and name HG11 ) (resid 13 and name HN ) 3.0 1.2 0.5 ! A.64 at 3.84e+04 assign (resid 13 and name HG2# ) (resid 13 and name HN ) 3.0 1.2 1.0 ! A.132 at 6.56e+04 assign (resid 13 and name HB ) (resid 13 and name HN ) 2.5 0.7 0.4 ! A.62 at 2.11e+05 assign (resid 13 and name HG2# ) (resid 14 and name HN ) 3.0 1.2 1.5 ! A.141 at 5.79e+04 assign (resid 13 and name HB ) (resid 14 and name HN ) 2.5 0.7 0.4 ! A.63 at 1.07e+05 assign (resid 13 and name HN ) (resid 14 and name HN ) 2.5 0.7 0.4 ! A.140 at 2.99e+05 assign (resid 13 and name HN ) (resid 16 and name HN ) 4.0 2.2 1.0 ! A.154 at 2.78e+04 assign (resid 13 and name HA ) (resid 16 and name HN ) 3.0 1.2 0.8 ! A.24 at 5.15e+04 assign (resid 13 and name HG2# ) (resid 17 and name HN ) 4.0 2.2 1.5 ! A.173 at 2.61e+04 assign (resid 13 and name HB ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.172 at 3.08e+04 ! 14 assign (resid 14 and name HN ) (resid 15 and name HB# ) 4.0 2.2 1.5 ! A.142 at 2.74e+04 assign (resid 14 and name HA2 ) (resid 15 and name HN ) 3.0 1.2 0.8 ! A.21 at 7.54e+04 assign (resid 14 and name HA1 ) (resid 15 and name HN ) 2.5 0.7 0.4 ! A.20 at 1.05e+05 assign (resid 14 and name HN ) (resid 15 and name HN ) 2.5 0.7 0.4 ! A.137 at 1.16e+05 assign (resid 14 and name HN ) (resid 16 and name HN ) 4.0 2.2 1.0 ! A.138 at 2.55e+04 assign (resid 14 and name HA1 ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.166 at 1.45e+04 assign (resid 14 and name HA2 ) (resid 17 and name HN ) 3.0 1.2 0.8 ! A.165 at 3.90e+04 ! 15 assign (resid 15 and name HG# ) (resid 15 and name HN ) 3.0 1.2 2.0 ! A.148 at 4.58e+04 assign (resid 15 and name HD1 ) (resid 15 and name HN ) 3.0 1.2 0.5 ! A.149 at 4.87e+04 assign (resid 15 and name HD2 ) (resid 15 and name HN ) 3.0 1.2 0.5 ! A.150 at 7.92e+04 assign (resid 15 and name HB# ) (resid 15 and name HN ) 2.5 0.7 1.9 ! A.147 at 3.02e+05 assign (resid 15 and name HD1 ) (resid 16 and name HN ) 4.0 2.2 1.0 ! A.160 at 2.37e+04 assign (resid 15 and name HG# ) (resid 16 and name HN ) 4.0 2.2 1.5 ! A.159 at 2.41e+04 assign (resid 15 and name HA ) (resid 16 and name HN ) 3.0 1.2 0.8 ! A.23 at 7.04e+04 assign (resid 15 and name HN ) (resid 16 and name HN ) 2.5 0.7 0.4 ! A.152 at 1.35e+05 assign (resid 15 and name HN ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.146 at 2.26e+04 assign (resid 15 and name HA ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.164 at 2.48e+04 assign (resid 15 and name HA ) (resid 18 and name HN ) 3.0 1.2 0.5 ! A.27 at 4.99e+04 ! 16 assign (resid 16 and name HG2 ) (resid 16 and name HN ) 3.0 1.2 1.5 ! A.158 at 7.90e+04 assign (resid 16 and name HB1 ) (resid 16 and name HN ) 2.5 0.7 1.4 ! A.156 at 1.14e+05 assign (resid 16 and name HG1 ) (resid 16 and name HN ) 2.5 0.7 1.4 ! A.157 at 1.22e+05 assign (resid 16 and name HB2 ) (resid 16 and name HN ) 2.5 0.7 1.4 ! A.155 at 2.85e+05 assign (resid 16 and name HG2 ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.171 at 1.47e+04 assign (resid 16 and name HG1 ) (resid 17 and name HN ) 4.0 2.2 1.0 ! A.170 at 1.69e+04 assign (resid 16 and name HN ) (resid 17 and name HB# ) 4.0 2.2 2.5 ! A.151 at 1.91e+04 assign (resid 16 and name HA ) (resid 17 and name HN ) 3.0 1.2 0.8 ! A.26 at 4.11e+04 assign (resid 16 and name HB1 ) (resid 17 and name HN ) 3.0 1.2 0.5 ! A.169 at 4.83e+04 assign (resid 16 and name HB2 ) (resid 17 and name HN ) 3.0 1.2 0.5 ! A.168 at 7.04e+04 assign (resid 16 and name HN ) (resid 17 and name HN ) 2.5 0.7 0.4 ! A.162 at 1.34e+05 assign (resid 16 and name HA ) (resid 18 and name HN ) 4.0 2.2 1.0 ! A.179 at 1.71e+04 assign (resid 16 and name HA ) (resid 19 and name HN ) 3.0 1.2 0.8 ! A.186 at 5.37e+04 ! 17 assign (resid 17 and name HD# ) (resid 17 and name HN ) 4.0 2.2 1.5 ! A.163 at 2.19e+04 assign (resid 17 and name HB# ) (resid 17 and name HN ) 2.5 0.7 1.9 ! A.167 at 1.95e+05 assign (resid 17 and name HD# ) (resid 18 and name HN ) 4.0 2.2 1.5 ! A.176 at 2.09e+04 assign (resid 17 and name HA ) (resid 18 and name HN ) 3.0 1.2 0.8 ! A.28 at 5.66e+04 assign (resid 17 and name HN ) (resid 18 and name HN ) 2.5 0.7 0.4 ! A.174 at 1.10e+05 assign (resid 17 and name HB# ) (resid 18 and name HN ) 2.5 0.7 1.9 ! A.177 at 1.17e+05 assign (resid 17 and name HA ) (resid 20 and name HN ) 4.0 2.2 1.0 ! A.30 at 3.41e+04 ! 18 assign (resid 18 and name HG# ) (resid 18 and name HN ) 3.0 1.2 2.0 ! A.182 at 4.30e+04 assign (resid 18 and name HB# ) (resid 18 and name HN ) 2.5 0.7 1.9 ! A.180 at 3.85e+05 assign (resid 18 and name HA ) (resid 19 and name HN ) 3.0 1.2 0.8 ! A.188 at 7.75e+04 assign (resid 18 and name HN ) (resid 19 and name HN ) 2.5 0.7 0.4 ! A.175 at 1.16e+05 ! 19 assign (resid 19 and name HD# ) (resid 19 and name HN ) 4.0 2.2 1.5 ! A.189 at 2.02e+04 assign (resid 19 and name HG2 ) (resid 19 and name HN ) 3.0 1.2 0.5 ! A.191 at 7.42e+04 assign (resid 19 and name HB1 ) (resid 19 and name HN ) 2.5 0.7 1.4 ! A.190 at 1.65e+05 assign (resid 19 and name HA ) (resid 20 and name HN ) 3.0 1.2 0.8 ! A.29 at 6.64e+04 assign (resid 19 and name HB1 ) (resid 20 and name HN ) 3.0 1.2 1.5 ! A.202 at 8.03e+04 assign (resid 19 and name HN ) (resid 20 and name HN ) 2.5 0.7 0.4 ! A.194 at 1.39e+05 ! 20 assign (resid 20 and name HD1# ) (resid 20 and name HN ) 4.0 2.2 1.5 ! A.199 at 2.90e+04 assign (resid 20 and name HG12 ) (resid 20 and name HN ) 3.0 1.2 1.5 ! A.201 at 8.37e+04 assign (resid 20 and name HG2# ) (resid 20 and name HN ) 2.5 0.7 1.9 ! A.198 at 1.08e+05 assign (resid 20 and name HG11 ) (resid 20 and name HN ) 2.5 0.7 1.4 ! A.200 at 1.47e+05 assign (resid 20 and name HB ) (resid 20 and name HN ) 2.5 0.7 1.4 ! A.197 at 3.05e+05 assign (resid 20 and name HG11 ) (resid 21 and name HN ) 4.0 2.2 1.0 ! A.210 at 2.34e+04 assign (resid 20 and name HG2# ) (resid 21 and name HN ) 3.0 1.2 1.0 ! A.208 at 7.09e+04 assign (resid 20 and name HA ) (resid 21 and name HN ) 3.0 1.2 0.8 ! A.31 at 9.97e+04 assign (resid 20 and name HB ) (resid 21 and name HN ) 2.5 0.7 1.4 ! A.209 at 1.23e+05 assign (resid 20 and name HN ) (resid 21 and name HN ) 2.5 0.7 0.4 ! A.203 at 1.64e+05 assign (resid 20 and name HA ) (resid 22 and name HN ) 4.0 2.2 1.0 ! A.34 at 3.47e+04 ! 21 assign (resid 21 and name HB ) (resid 21 and name HN ) 2.5 0.7 1.4 ! A.206 at 1.15e+05 assign (resid 21 and name HG* ) (resid 21 and name HN ) 2.5 0.7 2.4 ! A.207 at 2.72e+05 assign (resid 21 and name HG* ) (resid 22 and name HN ) 3.0 1.2 2.5 ! A.213 at 8.88e+04 assign (resid 21 and name HA ) (resid 22 and name HN ) 2.5 0.7 0.4 ! A.33 at 1.40e+05 assign (resid 21 and name HN ) (resid 22 and name HA ) 4.0 2.2 1.0 ! assign (resid 21 and name HA ) (resid 23 and name HN ) 4.0 2.2 1.0 ! A.214 at 2.64e+04 assign (resid 21 and name HG* ) (resid 23 and name HN ) 4.0 2.2 3.0 ! A.218 at 3.29e+04 ! 22 assign (resid 22 and name HG# ) (resid 22 and name HN ) 3.0 1.2 2.0 ! A.211 at 8.31e+04 assign (resid 22 and name HB# ) (resid 22 and name HN ) 2.5 0.7 0.9 ! A.212 at 1.40e+05 assign (resid 22 and name HB# ) (resid 23 and name HN ) 4.0 2.2 1.5 ! A.219 at 3.28e+04 assign (resid 22 and name HA ) (resid 23 and name HN ) 2.5 0.7 0.4 ! A.35 at 2.71e+05 ! 23 assign (resid 23 and name HB# ) (resid 23 and name HN ) 3.0 1.2 1.0 ! A.217 at 5.14e+04 assign (resid 23 and name HG2 ) (resid 23 and name HN ) 3.0 1.2 0.5 ! A.215 at 7.50e+04 assign (resid 23 and name HG1 ) (resid 23 and name HN ) 3.0 1.2 0.5 ! A.216 at 9.20e+04
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