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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639063 |
6mk8   |
30524 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: G503_restraints.tbl !The FOLLOWING IS A LIST OF NMR RESTRAINTS OBTAINED FROM THE STRUCTURAL CALCULATIONS OF DFT503 !THIS PART CONTAINS DISTANCE INFORMATION. ! pck2xplr.nawk Table; Input File: noe1027 ! Date: Mon Oct 27 12:12:08 EST 2014 ! Path: /hbar1/gswang/G503/g503sds40_wgnoesy_25c55_102314.fid ! !@ BEGIN_XPLR_PCK_SUM ! LBL File-Name All Intra Seq. Short Long ! A noe1027 83 35 30 18 0 ! Total 83 35 30 18 0 !@ END_XPLR_PCK_SUM !@ BEGIN_XPLR_NOE_FILE ! ! 1 assign (resid 1 and name HA2 ) (resid 2 and name HN ) 3.0 1.2 0.5 ! A.34 at 9.67e+04 assign (resid 1 and name HA1 ) (resid 2 and name HN ) 3.0 1.2 0.5 ! A.33 at 1.18e+05 ! 2 assign (resid 2 and name HN ) (resid 2 and name HD2# ) 3.0 1.2 1.5 ! A.65 at 3.91e+04 assign (resid 2 and name HN ) (resid 2 and name HD1# ) 3.0 1.2 1.5 ! A.64 at 3.96e+04 assign (resid 2 and name HN ) (resid 2 and name HG ) 3.0 1.2 0.8 ! A.63 at 7.23e+04 assign (resid 2 and name HN ) (resid 2 and name HB# ) 3.0 1.2 2.0 ! A.62 at 2.36e+05 assign (resid 2 and name HD2# ) (resid 3 and name HN ) 3.0 1.2 1.5 ! A.72 at 3.92e+04 assign (resid 2 and name HG ) (resid 3 and name HN ) 3.0 1.2 0.8 ! A.74 at 5.98e+04 assign (resid 2 and name HB# ) (resid 3 and name HN ) 3.0 1.2 2.0 ! A.73 at 6.40e+04 assign (resid 2 and name HN ) (resid 3 and name HN ) 3.0 1.2 0.5 ! A.1 at 7.03e+04 assign (resid 2 and name HA ) (resid 3 and name HN ) 3.0 1.2 0.5 ! A.31 at 9.53e+04 assign (resid 2 and name HA ) (resid 5 and name HN ) 4.0 2.2 1.0 ! A.32 at 2.32e+04 ! 3 assign (resid 3 and name HN ) (resid 3 and name HB# ) 3.0 1.2 2.0 ! A.46 at 1.24e+05 assign (resid 3 and name HB# ) (resid 4 and name HN ) 3.0 1.2 2.0 ! A.41 at 5.08e+04 assign (resid 3 and name HN ) (resid 4 and name HN ) 3.0 1.2 0.5 ! A.6 at 6.77e+04 assign (resid 3 and name HA ) (resid 4 and name HN ) 3.0 1.2 0.5 ! A.40 at 7.48e+04 assign (resid 3 and name HN ) (resid 5 and name HN ) 4.0 2.2 2.0 ! A.8 at 1.55e+04 assign (resid 3 and name HA ) (resid 5 and name HN ) 4.0 2.2 1.0 ! A.54 at 2.49e+04 ! 4 assign (resid 4 and name HN ) (resid 4 and name HB1 ) 3.0 1.2 0.8 ! A.76 at 1.43e+05 assign (resid 4 and name HN ) (resid 4 and name HB2 ) 3.0 1.2 0.8 ! A.77 at 1.55e+05 assign (resid 4 and name HA ) (resid 5 and name HN ) 3.0 1.2 0.8 ! A.38 at 3.68e+04 assign (resid 4 and name HN ) (resid 5 and name HN ) 3.0 1.2 0.5 ! A.11 at 6.12e+04 assign (resid 4 and name HB2 ) (resid 5 and name HN ) 3.0 1.2 0.8 ! A.87 at 8.92e+04 assign (resid 4 and name HA ) (resid 6 and name HN ) 4.0 2.2 1.0 ! A.52 at 1.87e+04 assign (resid 4 and name HN ) (resid 6 and name HN ) 4.0 2.2 1.0 ! A.16 at 2.47e+04 ! 5 assign (resid 5 and name HN ) (resid 5 and name HB1 ) 3.0 1.2 0.8 ! A.86 at 1.81e+05 assign (resid 5 and name HB2 ) (resid 6 and name HN ) 3.0 1.2 0.8 ! A.90 at 4.89e+04 assign (resid 5 and name HB1 ) (resid 6 and name HN ) 3.0 1.2 0.8 ! A.93 at 7.03e+04 assign (resid 5 and name HN ) (resid 6 and name HN ) 3.0 1.2 0.5 ! A.13 at 1.05e+05 assign (resid 5 and name HA ) (resid 8 and name HN ) 3.0 1.2 0.8 ! A.43 at 2.82e+04 ! 6 assign (resid 6 and name HN ) (resid 6 and name HB# ) 3.0 1.2 2.0 ! A.89 at 2.36e+05 assign (resid 6 and name HA ) (resid 9 and name HN ) 3.0 1.2 0.8 ! A.49 at 6.03e+04 ! 7 assign (resid 7 and name HN ) (resid 8 and name HN ) 4.0 2.2 1.0 ! A.14 at 2.60e+04 assign (resid 7 and name HA ) (resid 10 and name HN ) 3.0 1.2 0.8 ! A.45 at 2.87e+04 ! 8 assign (resid 8 and name HN ) (resid 8 and name HG ) 3.0 1.2 0.8 ! A.80 at 3.64e+04 assign (resid 8 and name HN ) (resid 8 and name HB# ) 3.0 1.2 2.0 ! A.79 at 4.65e+04 assign (resid 8 and name HN ) (resid 9 and name HN ) 3.0 1.2 0.5 ! A.4 at 2.95e+04 assign (resid 8 and name HA ) (resid 9 and name HN ) 3.0 1.2 0.8 ! A.48 at 4.20e+04 assign (resid 8 and name HG ) (resid 9 and name HN ) 3.0 1.2 0.8 ! A.67 at 8.11e+04 assign (resid 8 and name HB# ) (resid 9 and name HN ) 3.0 1.2 2.0 ! A.66 at 8.62e+04 assign (resid 8 and name HA ) (resid 11 and name HN ) 3.0 1.2 0.8 ! A.56 at 6.42e+04 ! 9 assign (resid 9 and name HA# ) (resid 10 and name HN ) 3.0 1.2 2.0 ! A.36 at 3.45e+04 assign (resid 9 and name HN ) (resid 10 and name HN ) 3.0 1.2 0.5 ! A.2 at 6.07e+04 assign (resid 9 and name HN ) (resid 11 and name HN ) 4.0 2.2 2.0 ! A.7 at 1.53e+04 assign (resid 9 and name HA# ) (resid 12 and name HN ) 4.0 2.2 2.5 ! A.37 at 1.42e+04 assign (resid 9 and name HA# ) (resid 12 and name HB# ) 3.0 1.2 2.3 ! A.102 at 3.56e+04 assign (resid 9 and name HA# ) (resid 12 and name HG ) 4.0 2.2 2.5 ! A.add assign (resid 9 and name HN ) (resid 12 and name HN ) 4.0 2.2 1.0 ! A.5 at 1.79e+04 assign (resid 9 and name HA# ) (resid 12 and name HD* ) 3.0 1.2 2.8 ! A.104 at 8.31e+04 ! 10 assign (resid 10 and name HN ) (resid 10 and name HG ) 3.0 1.2 0.8 ! A.69 at 4.26e+04 assign (resid 10 and name HN ) (resid 10 and name HG* ) 3.0 1.2 2.5 ! A.70 at 7.16e+04 assign (resid 10 and name HN ) (resid 10 and name HB# ) 3.0 1.2 2.0 ! A.68 at 1.23e+05 assign (resid 10 and name HN ) (resid 11 and name HB# ) 4.0 2.2 3.5 ! A.71 at 1.49e+04 assign (resid 10 and name HN ) (resid 11 and name HN ) 3.0 1.2 0.5 ! A.9 at 5.31e+04 assign (resid 10 and name HG ) (resid 11 and name HN ) 3.0 1.2 0.8 ! A.83 at 8.01e+04 assign (resid 10 and name HB# ) (resid 11 and name HN ) 3.0 1.2 2.0 ! A.82 at 9.61e+04 assign (resid 10 and name HN ) (resid 12 and name HN ) 4.0 2.2 2.0 ! A.15 at 1.37e+04 assign (resid 10 and name HA ) (resid 12 and name HN ) 3.0 1.2 0.8 ! A.59 at 8.36e+04 assign (resid 10 and name HA ) (resid 13 and name H2 ) 4.0 2.2 1.0 ! A.22 at 2.13e+04 assign (resid 10 and name HA ) (resid 13 and name H1 ) 3.0 1.2 0.3 ! A.21 at 3.73e+04 ! 11 assign (resid 11 and name HZ# ) (resid 11 and name HG1 ) 4.0 2.2 2.5 ! A.111 at 1.28e+04 assign (resid 11 and name HZ# ) (resid 11 and name HD# ) 4.0 2.2 2.0 ! A.110 at 2.80e+04 assign (resid 11 and name HN ) (resid 11 and name HG2 ) 3.0 1.2 1.8 ! A.84 at 3.16e+04 assign (resid 11 and name HN ) (resid 11 and name HD# ) 3.0 1.2 2.0 ! A.85 at 4.92e+04 assign (resid 11 and name HN ) (resid 11 and name HB# ) 3.0 1.2 2.0 ! A.81 at 3.08e+05 assign (resid 11 and name HB# ) (resid 12 and name HN ) 3.0 1.2 2.0 ! A.97 at 7.35e+04 assign (resid 11 and name HN ) (resid 12 and name HN ) 3.0 1.2 0.5 ! A.12 at 8.58e+04 ! 12 assign (resid 12 and name HN ) (resid 12 and name HG ) 3.0 1.2 0.8 ! A.100 at 7.43e+04 assign (resid 12 and name HN ) (resid 12 and name HD* ) 3.0 1.2 2.5 ! A.107 at 1.16e+05 assign (resid 12 and name HN ) (resid 12 and name HB# ) 3.0 1.2 2.0 ! A.98 at 1.46e+05 ! 13 assign (resid 13 and name H2 ) (resid 13 and name HG ) 4.0 2.2 2.0 ! A.26 at 1.52e+04 assign (resid 13 and name H2 ) (resid 13 and name HA ) 4.0 2.2 1.0 ! A.20 at 1.73e+04 assign (resid 13 and name H2 ) (resid 13 and name HB# ) 4.0 2.2 2.5 ! A.24 at 1.87e+04 assign (resid 13 and name HN ) (resid 13 and name H2 ) 4.0 2.2 1.0 ! A.18 at 1.90e+04 assign (resid 13 and name H1 ) (resid 13 and name HG ) 4.0 2.2 1.0 ! A.25 at 2.38e+04 assign (resid 13 and name H1 ) (resid 13 and name HA ) 4.0 2.2 1.0 ! A.19 at 2.63e+04 assign (resid 13 and name H2 ) (resid 13 and name HD* ) 3.0 1.2 2.3 ! A.28 at 3.02e+04 assign (resid 13 and name H1 ) (resid 13 and name HB# ) 3.0 1.2 1.8 ! A.23 at 3.09e+04 assign (resid 13 and name HN ) (resid 13 and name H1 ) 3.0 1.2 0.8 ! A.17 at 3.30e+04 assign (resid 13 and name H1 ) (resid 13 and name HD* ) 3.0 1.2 2.3 ! A.27 at 3.87e+04 assign (resid 13 and name HN ) (resid 13 and name HG ) 3.0 1.2 0.8 ! A.96 at 7.57e+04 assign (resid 13 and name HN ) (resid 13 and name HD* ) 3.0 1.2 2.5 ! A.106 at 7.87e+04 assign (resid 13 and name HN ) (resid 13 and name HB# ) 3.0 1.2 2.0 ! A.94 at 1.27e+05
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