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 |
|
|
11738 |
1ryg   |
6067 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!E1 assign (resid 1 and name HA ) (resid 1 and name HB#) 3.5 1.7 1.0 !!0.718E+06 !C2? assign (resid 2 and name HN ) (resid 2 and name HB#) 3.5 1.7 1.0 !!0.215E+07/2 or 0.401E+07/2? assign (resid 2 and name HN ) (resid 2 and name HA) 3.5 1.7 0.0 !!0.997E+07/3 assign (resid 2 and name HN ) (resid 1 and name HA ) 2.7 0.9 0.0 !!0.391E+07 assign (resid 2 and name HN ) (resid 1 and name HB#) 3.5 1.7 1.0 !!0.671E+06 assign (resid 2 and name HA ) (resid 2 and name HB#) 2.7 0.9 1.0 !!0.510E+07 or 0.671E+07/2? assign (resid 2 and name HA ) (resid 3 and name HG ) 3.5 1.7 0.0 !!0.128E+07 !L3 assign (resid 3 and name HN ) (resid 3 and name HA) 3.5 1.7 0.0 !!0.208E+07/2 assign (resid 3 and name HN ) (resid 3 and name HB#) 3.5 1.7 1.0 !!0.101E+07 or 0.328E+07/2? assign (resid 3 and name HN ) (resid 3 and name HG) 2.7 0.9 0.0 !!0.307E+07 assign (resid 3 and name HN ) (resid 3 and name HD#) 5.0 3.2 2.4 !!0.572E+06 or 0.894E+06 assign (resid 3 and name HN ) (resid 2 and name HB#) 3.5 1.7 1.0 !!0.215E+07/2 or 0.401E+07/2? assign (resid 3 and name HN ) (resid 2 and name HA ) 2.7 0.9 0.0 !!0.997E+07/3 assign (resid 3 and name HN ) (resid 17 and name HA ) 5.0 3.2 0.0 !!0.103E+06 assign (resid 3 and name HN ) (resid 15 and name HB#) 5.0 3.2 1.0 !!0.549E+06 assign (resid 3 and name HA ) (resid 3 and name HB#) 2.7 0.9 1.0 !!0.301E+07 or 0.707E+07/4? assign (resid 3 and name HA ) (resid 3 and name HG) 3.5 1.7 0.0 !!0.187E+07 assign (resid 3 and name HA ) (resid 3 and name HD#) 5.0 3.2 2.4 !!0.588E+07 !G4 assign (resid 4 and name HN ) (resid 4 and name HA#) 2.7 0.9 1.0 !!0.175E+07 or 0.421E+07 assign (resid 4 and name HN ) (resid 3 and name HA) 2.7 0.9 0.0 !!0.675E+07 assign (resid 4 and name HN ) (resid 3 and name HB#) 3.5 1.7 1.0 !!0.436E+06 or 0.612E+06 assign (resid 4 and name HN ) (resid 3 and name HD#) 5.0 3.2 2.4 !!0.143E+06 or 0.665E+06 assign (resid 4 and name HN ) (resid 7 and name HB#) 5.0 3.2 1.0 !!0.328E+06 assign (resid 4 and name HN ) (resid 7 and name HG#) 3.5 1.7 1.0 !!0.110E+07 or 0.382E+06 assign (resid 4 and name HA#) (resid 22 and name HD#) 5.0 3.2 3.4 !!0.328E+07 assign (resid 4 and name HN ) (resid 5 and name HN ) 5.0 3.2 0.0 !F5 assign (resid 5 and name HN ) (resid 5 and name HA) 3.5 1.7 0.0 !!0.443E+07/2 assign (resid 5 and name HN ) (resid 5 and name HB#) 2.7 0.9 1.0 !!0.297E+07 or 0.308E+07 assign (resid 5 and name HN ) (resid 4 and name HA#) 2.7 0.9 1.0 !!0.287E+07 or 0.443E+07/2 !assign (resid 5 and name HN ) (resid 22 and name HG) 5.0 3.2 0.0 !!0.224E+06 assign (resid 5 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4 !!0.304E+07 or 0.710E+06 assign (resid 5 and name HD# ) (resid 5 and name HA) 3.5 1.7 2.4 !!0.297E+07/2 assign (resid 5 and name HD# ) (resid 5 and name HB#) 3.5 1.7 3.4 !!0.313E+07 or 0.393E+07 assign (resid 5 and name HD# ) (resid 22 and name HD#) 5.0 3.2 4.8 !!0.501E+06/3 or 0.324E+07 assign (resid 5 and name HD# ) (resid 32 and name HA ) 5.0 3.2 2.4 !!0.104E+07 assign (resid 5 and name HE# ) (resid 5 and name HA) 5.0 3.2 2.4 !!0.581E+06/2 assign (resid 5 and name HE# ) (resid 5 and name HB#) 5.0 3.2 3.4 !!0.586E+06 or 0.762E+06/2 assign (resid 5 and name HE# ) (resid 22 and name HD#) 5.0 3.2 4.8 !!0.711E+07/6 assign (resid 5 and name HE# ) (resid 32 and name HA ) 3.5 1.7 2.4 !!0.120E+07 assign (resid 5 and name HE# ) (resid 32 and name HB#) 5.0 3.2 3.4 !!0.423E+06 or 0.312E+06 !assign (resid 5 and name HE# ) (resid 32 and name HG#) 5.0 3.2 3.4 !!0.264E+06 assign (resid 5 and name HD# ) (resid 5 and name HN) 5.0 3.2 2.4 !!0.573E+06 assign (resid 5 and name HA ) (resid 5 and name HB#) 3.5 1.7 1.0 !!0.143E+07 or 0.701E+06 assign (resid 5 and name HA ) (resid 31 and name HB#) 3.5 1.7 1.0 !!0.111E+07 or 0.449E+06 assign (resid 5 and name HA ) (resid 22 and name HD#) 3.5 1.7 2.4 !!0.213E+07 or 0.152E+07 assign (resid 5 and name HB# ) (resid 22 and name HD#) 5.0 3.2 3.4 !G6 assign (resid 6 and name HN ) (resid 6 and name HA#) 2.7 0.9 1.0 !!0.789E+07 or 0.415E+07 !assign (resid 6 and name HN ) (resid 5 and name HB#) 5.0 3.2 1.0 !!0.987E+06 assign (resid 6 and name HN ) (resid 31 and name HB#) 3.5 1.7 1.0 !!0.646E+06 assign (resid 6 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4 !!0.411E+06 assign (resid 6 and name HN ) (resid 30 and name HE3) 5.0 3.2 0.0 !!0.639E+06? assign (resid 6 and name HN ) (resid 5 and name HD#) 5.0 3.2 2.4 !!0.107E+07 !K7 assign (resid 7 and name HN ) (resid 7 and name HA) 3.5 1.7 0.0 !!0.152E+07 assign (resid 7 and name HN ) (resid 7 and name HB#) 2.7 0.9 1.0 !!0.312E+07 or 0.742E+06 assign (resid 7 and name HN ) (resid 7 and name HG#) 3.5 1.7 1.0 !!0.627E+06 or 0.195E+07 assign (resid 7 and name HN ) (resid 7 and name HD#) 5.0 3.2 1.0 !!0.181E+06 assign (resid 7 and name HN ) (resid 6 and name HA#) 3.5 1.7 1.0 !!0.135E+07 or 0.777E+06 assign (resid 7 and name HN ) (resid 31and name HB#) 3.5 1.7 1.0 !!0.145E+07 or 0.618E+06 assign (resid 7 and name HN ) (resid 6 and name HN) 3.5 1.7 0.0 !!0.224E+07/2 assign (resid 7 and name HA ) (resid 7 and name HB#) 3.5 1.7 1.0 !!0.714E+07/4? or 0.301E+07 assign (resid 7 and name HA ) (resid 7 and name HG#) 3.5 1.7 1.0 !!0.141E+07 or 0.933E+06 assign (resid 7 and name HA ) (resid 7 and name HD#) 2.7 0.9 1.0 !!0.462E+07 assign (resid 7 and name HB#) (resid 7 and name HG#) 3.5 1.7 2.0 !!0.189E+05 or 0.989E+06 assign (resid 7 and name HB#) (resid 3 and name HB#) 3.5 1.7 2.0 !!0.140E+07 !G8 assign (resid 8 and name HN ) (resid 8 and name HA#) 2.7 0.9 1.0 !!0.210E+07 or 0.431E+07 !assign (resid 8 and name HN ) (resid 7 and name HN) 5.0 3.2 0.0 !!0.207E+07 assign (resid 8 and name HN ) (resid 7 and name HA) 2.7 0.9 0.0 !!0.630E+07 assign (resid 8 and name HN ) (resid 7 and name HB#) 3.5 1.7 1.0 !!0.636E+06 or 0.132E+07 !assign (resid 8 and name HN ) (resid 7 and name HG#) 5.0 3.2 1.0 assign (resid 8 and name HN ) (resid 7 and name HD#) 5.0 3.2 1.0 !!0.376E+06 assign (resid 8 and name HN ) (resid 9 and name HN) 5.0 3.2 0.0 !!0.284E+06 assign (resid 8 and name HA#) (resid 30 and name HB#) 3.5 1.7 2.0 !!0.553E+06 or 0.672E+07 (d2o) !C9 assign (resid 9 and name HN ) (resid 9 and name HB#) 3.5 1.7 1.0 !!0.103E+07 assign (resid 9 and name HN ) (resid 8 and name HA#) 2.7 0.9 1.0 !!0.545E+07 or 0.235E+07 assign (resid 9 and name HN ) (resid 30 and name HA) 3.5 1.7 0.0 !!0.223E+07 assign (resid 9 and name HN ) (resid 29 and name HB#) 5.0 3.2 1.0 !!0.926E+06/3 assign (resid 9 and name HA ) (resid 9 and name HB#) 2.7 0.9 1.0 !!0.391E+08 or 0.539E+08/2? assign (resid 9 and name HA ) (resid 3 and name HD#) 5.0 3.2 2.4 !!0.264E+08 !N10 assign (resid 10 and name HN ) (resid 10 and name HA) 3.5 1.7 0.0 !!0.107E+07 assign (resid 10 and name HN ) (resid 10 and name HB#) 3.5 1.7 1.0 !!0.261E+07 or 0.162E+07 assign (resid 10 and name HN ) (resid 9 and name HB#) 3.5 1.7 1.0 !!0.234E+07 assign (resid 10 and name HD2#)(resid 10 and name HA ) 5.0 3.2 1.0 !!0.414E+06 assign (resid 10 and name HD2#)(resid 10 and name HB#) 3.5 1.7 2.0 !!0.141E+07 or 0.193E+07 assign (resid 10 and name HD2#)(resid 13 and name HB#) 3.5 1.7 2.0 !!0.260E+07/2? assign (resid 10 and name HN ) (resid 15 and name HN) 5.0 3.2 0.0 !!0.350E+06 assign (resid 10 and name HN ) (resid 10 and name HD2#)5.0 3.2 0.0 !!0.284E+06 assign (resid 10 and name HA ) (resid 10 and name HB#) 2.7 0.9 1.0 !!0.177E+07 or 0.231E+07 or 0.306E+07 assign (resid 10 and name HA ) (resid 11 and name HD#) 2.7 0.9 1.0 !!0.106E+08/2 assign (resid 10 and name HA ) (resid 11 and name HB#) 5.0 3.2 1.0 !!0.572E+06 assign (resid 10 and name HA ) (resid 11 and name HG#) 5.0 3.2 1.0 assign (resid 10 and name HA ) (resid 29 and name HB#) 5.0 3.2 1.0 !!0.435E+06 !P11 assign (resid 11 and name HA ) (resid 11 and name HB#) 3.5 1.7 1.0 !!0.429E+07 or 0.152E+07 assign (resid 11 and name HA ) (resid 11 and name HG#) 3.5 1.7 1.0 !!0.160E+07 or 0.152E+07? assign (resid 11 and name HA ) (resid 14 and name HB#) 3.5 1.7 1.0 !!0.684E+06 assign (resid 11 and name HA ) (resid 24 and name HB#) 2.7 0.9 1.0 !!0.919E+06 or 0.343E+07 assign (resid 11 and name HB# )(resid 11 and name HD#) 3.5 1.7 2.0 !!0.260E+07/2 assign (resid 11 and name HD# )(resid 11 and name HG#) 3.5 1.7 2.0 !!0.208E+07 assign (resid 11 and name HD# )(resid 29 and name HB#) 5.0 3.2 2.0 !!0.166E+07 !S12 assign (resid 12 and name HN ) (resid 12 and name HA) 3.5 1.7 0.0 !!0.124E+07 assign (resid 12 and name HN ) (resid 12 and name HB#) 3.5 1.7 1.0 !!0.192E+07 or 0.252E+07 assign (resid 12 and name HN ) (resid 11 and name HB#) 3.5 1.7 1.0 !!0.645E+06 or 0.825E+06 assign (resid 12 and name HN ) (resid 10 and name HA) 5.0 3.2 0.0 !!0.450E+06 assign (resid 12 and name HN ) (resid 10 and name HB#) 5.0 3.2 1.0 !!0.286E+06 assign (resid 12 and name HN ) (resid 13 and name HB#) 5.0 3.2 1.0 !!0.188E+06 assign (resid 12 and name HN ) (resid 13 and name HN) 3.5 1.7 0.0 !!0.488E+07 assign (resid 12 and name HA ) (resid 12 and name HB#) 3.5 1.7 1.0 !!0.113E+07 or 0.977E+06 !N13 assign (resid 13 and name HN ) (resid 13 and name HA) 3.5 1.7 0.0 !!0.139E+07 assign (resid 13 and name HN ) (resid 13 and name HB#) 3.5 1.7 1.0 !!0.260E+07/2 assign (resid 13 and name HN ) (resid 10 and name HB#) 3.5 1.7 1.0 !!0.874E+06 assign (resid 13 and name HN ) (resid 11 and name HA) 5.0 3.2 0.0 !!0.891E+06/2? assign (resid 13 and name HN ) (resid 12 and name HA) 3.5 1.7 0.0 !!0.744E+06 assign (resid 13 and name HN ) (resid 12 and name HB#) 5.0 3.2 1.0 !!0.274E+06 or 0.891E+06/2? assign (resid 13 and name HN ) (resid 14 and name HA) 5.0 3.2 0.0 !!0.451E+06 assign (resid 13 and name HD2#)(resid 13 and name HB#) 3.5 1.7 2.0 !!0.220E+07 !assign (resid 13 and name HN ) (resid 12 and name HN) 5.0 3.2 0.0 assign (resid 13 and name HA ) (resid 13 and name HB#) 2.7 0.9 1.0 !!0.403E+07 !D14 assign (resid 14 and name HN ) (resid 14 and name HA) 3.5 1.7 0.0 !!0.146E+07 assign (resid 14 and name HN ) (resid 14 and name HB#) 2.7 0.9 1.0 !!0.444E+07 or 0.372E+07 assign (resid 14 and name HN ) (resid 13 and name HA) 2.7 0.9 0.0 !!0.463E+07 assign (resid 14 and name HN ) (resid 13 and name HB#) 5.0 3.2 1.0 !!0.101E+06 assign (resid 14 and name HN ) (resid 11 and name HA) 5.0 3.2 0.0 !!0.332E+06 assign (resid 14 and name HN ) (resid 13 and name HN) 3.5 1.7 0.0 !!0.101E+07 assign (resid 14 and name HA ) (resid 14 and name HB#) 2.7 0.9 1.0 !!0.261E+07 or 0.118E+07 assign (resid 14 and name HA ) (resid 24 and name HB#) 3.5 1.7 1.0 !!0.832E+06 or 0.478E+06 !Q15 assign (resid 15 and name HN ) (resid 15 and name HA) 3.5 1.7 0.0 !!0.105E+07 assign (resid 15 and name HN ) (resid 15 and name HB#) 3.5 1.7 1.0 !!0.818E+06 or 0.310E+07/2 assign (resid 15 and name HN ) (resid 15 and name HG#) 3.5 1.7 1.0 !!0.609E+06 or 0.108E+07? assign (resid 15 and name HN ) (resid 14 and name HA) 2.7 0.9 0.0 !!0.528E+07 assign (resid 15 and name HN ) (resid 3 and name HD#) 5.0 3.2 2.4 !!0.681E+06 assign (resid 15 and name HE2#)(resid 15 and name HA) 5.0 3.2 1.0 !! assign (resid 15 and name HE2#)(resid 15 and name HG#) 5.0 3.2 2.0 !!0.446E+06 assign (resid 15 and name HA ) (resid 15 and name HB#) 3.5 1.7 1.0 !!0.147E+07 or 0.257E+07 assign (resid 15 and name HA ) (resid 15 and name HG#) 3.5 1.7 1.0 !!0.646E+06 or 0.111E+07 assign (resid 15 and name HB#) (resid 15 and name HG#) 3.5 1.7 2.0 !!0.113E+07 or 0.410E+06 !C16 assign (resid 16 and name HN ) (resid 16 and name HA) 3.5 1.7 0.0 !!0.105E+07 assign (resid 16 and name HN ) (resid 16 and name HB#) 2.7 0.9 1.0 !!0.344E+07 or 0.759E+06 assign (resid 16 and name HN ) (resid 15 and name HA) 3.5 1.7 0.0 !!0.104E+07 assign (resid 16 and name HN ) (resid 15 and name HB#) 3.5 1.7 1.0 !!0.647E+06 !assign (resid 16 and name HN ) (resid 15 and name HG#) 5.0 3.2 1.0 !! assign (resid 16 and name HN ) (resid 14 and name HA) 5.0 3.2 0.0 !!0.590E+06 assign (resid 16 and name HN) (resid 24 and name HB#) 5.0 3.2 1.0 !!0.415E+06 assign (resid 16 and name HN) (resid 3 and name HD#) 5.0 3.2 2.4 !!0.307E+06 assign (resid 16 and name HN ) (resid 15 and name HN) 3.5 1.7 0.0 !!0.160E+07 assign (resid 16 and name HA ) (resid 16 and name HB#) 2.7 0.9 1.0 !!0.223E+07 or 0.278E+07 assign (resid 16 and name HA ) (resid 3 and name HB#) 3.5 1.7 1.0 !!0.144E+07 or 0.558E+07? assign (resid 16 and name HB#) (resid 22 and name HB#) 2.7 0.9 2.0 !!0.274E+07 or 0.332E+07 assign (resid 16 and name HB#) (resid 22 and name HD#) 5.0 3.2 3.4 !!0.384E+06 or 0.378E+06 !C17 assign (resid 17 and name HN ) (resid 17 and name HA) 3.5 1.7 0.0 !!0.170E+07 assign (resid 17 and name HN ) (resid 17 and name HB#) 3.5 1.7 1.0 !!0.218E+07 or 0.259E+07 assign (resid 17 and name HN ) (resid 16 and name HA) 2.7 0.9 0.0 !!0.533E+07 assign (resid 17 and name HN ) (resid 16 and name HB#) 3.5 1.7 1.0 !!0.119E+07 assign (resid 17 and name HN) (resid 2 and name HB#) 5.0 3.2 1.0 !!0.116E+06 assign (resid 17 and name HN) (resid 3 and name HA ) 5.0 3.2 0.0 !!0.260E+06 assign (resid 17 and name HN) (resid 3 and name HD#) 5.0 3.2 2.4 !!0.158E+07 assign (resid 17 and name HN) (resid 4 and name HA#) 5.0 3.2 1.0 !!0.341E+06 assign (resid 17 and name HN) (resid 22 and name HB#) 5.0 3.2 1.0 !!0.199E+07/2 assign (resid 17 and name HN ) (resid 3 and name HN) 3.5 1.7 0.0 !!0.515E+06 !assign (resid 17 and name HN ) (resid 22 and name HN) 5.0 3.2 0.0 !!0.142E+06 assign (resid 17 and name HA ) (resid 17 and name HB#) 2.7 0.9 1.0 !!0.592E+07 or 0.150E+07 assign (resid 17 and name HA ) (resid 2 and name HB#) 3.5 1.7 1.0 !!0.178E+07 assign (resid 17 and name HB#) (resid 22 and name HD#) 5.0 3.2 3.4 !k18 assign (resid 18 and name HN ) (resid 18 and name HA) 3.5 1.7 0.0 !!0.140E+07 assign (resid 18 and name HN ) (resid 18 and name HB#) 2.7 0.9 1.0 !!0.329E+07 assign (resid 18 and name HN ) (resid 18 and name HG#) 3.5 1.7 1.0 !!0.233E+07 !assign (resid 18 and name HN ) (resid 18 and name HD#) 5.0 3.2 1.0 !!0.632E+07? assign (resid 18 and name HN ) (resid 17 and name HA ) 2.7 0.9 0.0 !!0.527E+07 assign (resid 18 and name HN ) (resid 17 and name HB#) 3.5 1.7 1.0 !!0.103E+07 or 0.233E+06 assign (resid 18 and name HA ) (resid 18 and name HB#) 3.5 1.7 1.0 !!0.714E+07/4 assign (resid 18 and name HA ) (resid 18 and name HG#) 5.0 3.2 1.0 !! assign (resid 18 and name HA ) (resid 18 and name HD#) 5.0 3.2 1.0 !! !assign (resid 18 and name HA ) (resid 18 and name HE#) 5.0 3.2 1.0 !!0.392E+06 !S19 assign (resid 19 and name HN ) (resid 19 and name HA) 3.5 1.7 0.0 !!0.159E+07 assign (resid 19 and name HN ) (resid 19 and name HB#) 3.5 1.7 1.0 !!0.207E+07/2 assign (resid 19 and name HN ) (resid 17 and name HA) 5.0 3.2 0.0 !!0.121E+06 assign (resid 19 and name HN ) (resid 17 and name HB#) 5.0 3.2 1.0 !!0.600E+06 or 0.264E+06 assign (resid 19 and name HN ) (resid 18 and name HA) 5.0 3.2 0.0 assign (resid 19 and name HN ) (resid 18 and name HB#) 3.5 1.7 1.0 !!0.879E+06 assign (resid 19 and name HN ) (resid 21 and name HN ) 5.0 3.2 0.0 !!0.202E+06 assign (resid 19 and name HA ) (resid 19 and name HB#) 3.5 1.7 1.0 !!0.102E+07 !S20 assign (resid 20 and name HN ) (resid 20 and name HB#) 3.5 1.7 1.0 !!0.164E+07 or 0.148E+07? assign (resid 20 and name HN ) (resid 17 and name HB#) 3.5 1.7 1.0 !!0.622E+06 or 0.114E+07 !assign (resid 20 and name HN ) (resid 21 and name HA ) 5.0 3.2 0.0 !!0.466E+06 assign (resid 20 and name HN ) (resid 19 and name HB#) 5.0 3.2 1.0 !!0.315E+06 assign (resid 20 and name HN ) (resid 22 and name HG ) 5.0 3.2 0.0 !!0.297E+06 assign (resid 20 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4 !!0.212E+06 assign (resid 20 and name HN ) (resid 19 and name HN) 3.5 1.7 0.0 !!0.142E+07 assign (resid 20 and name HA ) (resid 20 and name HB#) 5.0 3.2 1.0 !!0.360E+07 or 0.330E+06 (d2o) assign (resid 20 and name HB#) (resid 17 and name HB#) 5.0 3.2 2.0 !!0.683E+05 or 0.404E+06 !assign (resid 20 and name HB#) (resid 22 and name HB#) 3.5 1.7 2.0 !!0.160E+07 assign (resid 20 and name HB#) (resid 22 and name HG ) 3.5 1.7 1.0 !!0.204E+07 assign (resid 20 and name HB#) (resid 22 and name HD#) 5.0 3.2 3.4 !!0.140E+07 !N21 assign (resid 21 and name HN ) (resid 21 and name HA) 2.7 0.9 0.0 !!0.628E+07 assign (resid 21 and name HN ) (resid 21 and name HB#) 3.5 1.7 1.0 !!0.714E+06 or 0.685E+06 assign (resid 21 and name HN ) (resid 20 and name HB#) 5.0 3.2 1.0 !!0.350E+06 or 0.161E+06 assign (resid 21 and name HN ) (resid 20 and name HN) 2.7 0.9 0.0 !!0.271E+07 assign (resid 21 and name HN ) (resid 22 and name HN) 3.5 1.7 0.0 !!0.142E+07 assign (resid 21 and name HD2#)(resid 21 and name HB#) 3.5 1.7 2.0 !!0.588E+06 or 0.271E+06 assign (resid 21 and name HA ) (resid 21 and name HB#) 3.5 1.7 1.0 !!0.230E+07 or 0.235E+07 !L22 assign (resid 22 and name HN ) (resid 22 and name HA) 3.5 1.7 0.0 !!0.136E+07 assign (resid 22 and name HN ) (resid 22 and name HB#) 3.5 1.7 1.0 !!0.447E+07? or 0.103E+07 assign (resid 22 and name HN ) (resid 22 and name HG) 3.5 1.7 0.0 !!0.250E+07 assign (resid 22 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4 !!0.335E+06 or 0.254E+06 assign (resid 22 and name HN ) (resid 18 and name HA) 3.5 1.7 0.0 !!0.369E+07/2 !assign (resid 22 and name HN ) (resid 20 and name HB#) 5.0 3.2 1.0 !!0.476E+06 assign (resid 22 and name HN ) (resid 21 and name HA) 3.5 1.7 0.0 !!0.369E+07/2 assign (resid 22 and name HA ) (resid 22 and name HB#) 3.5 1.7 1.0 !!0.306E+07 assign (resid 22 and name HA ) (resid 22 and name HG) 3.5 1.7 0.0 !!0.142E+07 assign (resid 22 and name HA ) (resid 22 and name HD#) 5.0 3.2 2.4 !!0.152E+07 or 0.274E+07 !V23 assign (resid 23 and name HN ) (resid 23 and name HA) 3.5 1.7 0.0 !!0.126E+07 assign (resid 23 and name HN ) (resid 23 and name HB) 5.0 3.2 0.0 !!0.163E+07 assign (resid 23 and name HN ) (resid 23 and name HG#) 5.0 3.2 2.4 !!0.319E+07/6 !assign (resid 23 and name HN ) (resid 22 and name HN) 5.0 3.2 0.0 !! assign (resid 23 and name HN ) (resid 22 and name HA) 2.7 0.9 0.0 !!0.626E+07 assign (resid 23 and name HN ) (resid 22 and name HB#) 5.0 3.2 1.0 !!0.940E+07 assign (resid 23 and name HN ) (resid 22 and name HG) 5.0 3.2 0.0 !!0.224E+06 assign (resid 23 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4 !!0.782E+06/3 assign (resid 23 and name HN ) (resid 22 and name HN) 5.0 3.2 0.0 !!0.306E+06 assign (resid 23 and name HN) (resid 16 and name HB#) 5.0 3.2 1.0 !!0.110E+06 assign (resid 23 and name HN) (resid 31 and name HB#) 5.0 3.2 1.0 !!0.156E+06 assign (resid 23 and name HA) (resid 23 and name HB) 3.5 1.7 0.0 !! assign (resid 23 and name HA) (resid 23 and name HG#) 5.0 3.2 2.4 !! assign (resid 23 and name HA) (resid 16 and name HB#) 3.5 1.7 1.0 !!0.169E+07 or 0.868E+06 !C24 assign (resid 24 and name HN ) (resid 24 and name HA) 3.5 1.7 0.0 !!0.652E+06 assign (resid 24 and name HN ) (resid 24 and name HB#) 2.7 0.9 1.0 !!0.286E+07 or 0.243E+07 assign (resid 24 and name HN ) (resid 11 and name HA ) 5.0 3.2 0.0 !!0.174E+06 assign (resid 24 and name HN ) (resid 16 and name HB#) 5.0 3.2 1.0 !!0.174E+06 assign (resid 24 and name HN ) (resid 23 and name HA) 2.7 0.9 0.0 !!0.593E+07 assign (resid 24 and name HN ) (resid 23 and name HB) 3.5 1.7 0.0 !!0.118E+07 assign (resid 24 and name HN ) (resid 23 and name HG#) 5.0 3.2 2.4 !!0.145E+07/6 assign (resid 24 and name HA ) (resid 24 and name HB#) 3.5 1.7 1.0 !!0.226E+07 !S25 assign (resid 25 and name HN ) (resid 25 and name HA) 3.5 1.7 0.0 !!0.855E+06 assign (resid 25 and name HN ) (resid 25 and name HB#) 2.7 0.9 1.0 !!0.201E+07 or 0.304E+07 assign (resid 25 and name HN ) (resid 24 and name HA) 2.7 0.9 0.0 !!0.503E+07 assign (resid 25 and name HN ) (resid 24 and name HB#) 5.0 3.2 1.0 !!0.352E+06 or 0.279E+06 assign (resid 25 and name HN ) (resid 28 and name HB#) 5.0 3.2 1.0 !!0.238E+06 assign (resid 25 and name HN ) (resid 32 and name HG#) 5.0 3.2 1.0 !!0.304E+06 assign (resid 25 and name HN ) (resid 30 and name HN) 3.5 1.7 0.0 !!0.869E+06 assign (resid 25 and name HN ) (resid 24 and name HN) 5.0 3.2 0.0 !!0.189E+06 assign (resid 25 and name HA ) (resid 25 and name HB#) 3.5 1.7 1.0 !!0.149E+07 assign (resid 25 and name HB#) (resid 28 and name HB#) 5.0 3.2 2.0 assign (resid 25 and name HB#) (resid 32 and name HB#) 5.0 3.2 2.0 assign (resid 25 and name HB#) (resid 32 and name HG#) 5.0 3.2 2.0 assign (resid 25 and name HB#) (resid 32 and name HD#) 5.0 3.2 2.0 !R26 assign (resid 26 and name HN ) (resid 26 and name HA) 3.5 1.7 0.0 !!0.147E+07 assign (resid 26 and name HN ) (resid 26 and name HB#) 2.7 0.9 1.0 !!0.370E+07 assign (resid 26 and name HN ) (resid 26 and name HG#) 5.0 3.2 1.0 !!0.292E+06 assign (resid 26 and name HN ) (resid 25 and name HA ) 2.7 0.9 0.0 !!0.568E+07 assign (resid 26 and name HN ) (resid 25 and name HN ) 5.0 3.2 0.0 assign (resid 26 and name HN ) (resid 25 and name HB#) 5.0 3.2 1.0 !!0.203E+06 or 0.855E+05 assign (resid 26 and name HN ) (resid 11 and name HB#) 5.0 3.2 1.0 !!0.157E+06 assign (resid 26 and name HA ) (resid 26 and name HB#) 2.7 0.9 1.0 !!0.717E+07? assign (resid 26 and name HA ) (resid 26 and name HG#) 5.0 3.2 1.0 !!0.461E+06 or 0.600E+06 assign (resid 26 and name HA ) (resid 26 and name HD#) 5.0 3.2 1.0 assign (resid 26 and name HA ) (resid 11 and name HB#) 3.5 1.7 1.0 !!0.976E+07/2? assign (resid 26 and name HA ) (resid 11 and name HG#) 5.0 3.2 1.0 !!0.259E+07/2? !K27 assign (resid 27 and name HN ) (resid 27 and name HA) 3.5 1.7 0.0 !!0.172E+07 assign (resid 27 and name HN ) (resid 27 and name HB#) 3.5 1.7 1.0 !!0.208E+07 or 0.100E+07 assign (resid 27 and name HN ) (resid 27 and name HG#) 5.0 3.2 1.0 !!0.331E+06 or 0.192E+06 assign (resid 27 and name HN ) (resid 26 and name HA) 5.0 3.2 0.0 !!0.149E+06 assign (resid 27 and name HN ) (resid 26 and name HB#) 3.5 1.7 1.0 !!0.124E+07 assign (resid 27 and name HN ) (resid 25 and name HA) 5.0 3.2 0.0 !!0.289E+06 assign (resid 27 and name HN ) (resid 26 and name HN) 3.5 1.7 0.0 !!0.140E+07 assign (resid 27 and name HN ) (resid 28 and name HN) 3.5 1.7 0.0 !!0.104E+07 assign (resid 27 and name HA ) (resid 27 and name HB#) 2.7 0.9 1.0 !!0.324E+07 or 0.153E+07 assign (resid 27 and name HA ) (resid 27 and name HG#) 5.0 3.2 1.0 !!0.388E+06 or 0.673E+06 !H28 assign (resid 28 and name HN ) (resid 28 and name HA) 3.5 1.7 0.0 !!0.130E+07 assign (resid 28 and name HN ) (resid 28 and name HB#) 3.5 1.7 1.0 !!0.192E+07/2 assign (resid 28 and name HN ) (resid 27 and name HA) 3.5 1.7 0.0 !!0.108E+07 assign (resid 28 and name HN ) (resid 27 and name HB#) 3.5 1.7 1.0 !!0.647E+06 or 0.560E+06 assign (resid 28 and name HN ) (resid 25 and name HB#) 3.5 1.7 1.0 !!0.778E+06 !assign (resid 28 and name HN ) (resid 29 and name HA) 5.0 3.2 0.0 !!-0.408E+06 assign (resid 28 and name HD2) (resid 28 and name HB#) 3.5 1.7 1.0 !!0.447E+07/2 assign (resid 28 and name HD2) (resid 27 and name HB#) 5.0 3.2 1.0 !!0.329E+06 assign (resid 28 and name HD2) (resid 25 and name HB#) 5.0 3.2 1.0 assign (resid 28 and name HD2) (resid 28 and name HE1) 5.0 3.2 0.0 !!0.230E+06 assign (resid 28 and name HN ) (resid 29 and name HN) 3.5 1.7 0.0 !!0.112E+07 assign (resid 28 and name HA ) (resid 28 and name HB#) 3.5 1.7 1.0 !!0.707E+07/4? !A29 assign (resid 29 and name HN ) (resid 29 and name HA) 2.7 0.9 0.0 !!0.498E+07 assign (resid 29 and name HN ) (resid 29 and name HB#) 3.5 1.7 1.0 !!0.227E+07/3 assign (resid 29 and name HN ) (resid 28 and name HA) 3.5 1.7 0.0 !!0.198E+07 assign (resid 29 and name HN ) (resid 28 and name HB#) 3.5 1.7 1.0 !!0.140E+07/2 assign (resid 29 and name HN ) (resid 25 and name HB#) 3.5 1.7 1.0 !!0.785E+06 assign (resid 29 and name HN ) (resid 30 and name HN) 3.5 1.7 0.0 !!0.150E+07 assign (resid 29 and name HA ) (resid 29 and name HB#) 3.5 1.7 1.0 !!0.445E+07/3 assign (resid 29 and name HA ) (resid 11 and name HB#) 5.0 3.2 1.0 assign (resid 29 and name HA ) (resid 11 and name HG#) 5.0 3.2 1.0 !W30 assign (resid 30 and name HN ) (resid 30 and name HA) 3.5 1.7 0.0 !!0.127E+07 assign (resid 30 and name HN ) (resid 30 and name HB#) 5.0 3.2 1.0 !!0.417E+06 or 0.420E+06 assign (resid 30 and name HN ) (resid 25 and name HB#) 3.5 1.7 1.0 !!0.226E+07 assign (resid 30 and name HN ) (resid 28 and name HA ) 5.0 3.2 0.0 !!0.518E+06 assign (resid 30 and name HN ) (resid 28 and name HB#) 5.0 3.2 1.0 !!0.966E+06/2 assign (resid 30 and name HN ) (resid 29 and name HA ) 3.5 1.7 0.0 !!0.276E+07? assign (resid 30 and name HN ) (resid 29 and name HB#) 5.0 3.2 1.0 !!0.461E+06 assign (resid 30 and name HD1) (resid 30 and name HA ) 5.0 3.2 0.0 !!0.504E+06 assign (resid 30 and name HD1) (resid 30 and name HB#) 3.5 1.7 1.0 !!0.113E+07 or 0.862E+06 assign (resid 30 and name HD1) (resid 28 and name HB#) 5.0 3.2 1.0 !!0.565E+06/2 assign (resid 30 and name HD1) (resid 6 and name HA#) 5.0 3.2 1.0 !!0.156E+06 assign (resid 30 and name HD1) (resid 8 and name HA#) 5.0 3.2 1.0 !!0.546E+06 or 0.509E+06/2 assign (resid 30 and name HD1) (resid 25 and name HB#) 5.0 3.2 1.0 !!0.324E+06 or 0.509E+06/2 assign (resid 30 and name HD1) (resid 32 and name HB#) 3.5 1.7 1.0 !!0.619E+06 assign (resid 30 and name HD1) (resid 32 and name HG#) 5.0 3.2 1.0 !!0.229E+06 or 0.310E+06 assign (resid 30 and name HE1) (resid 28 and name HB#) 5.0 3.2 1.0 !!0.549E+06/2 assign (resid 30 and name HE1) (resid 30 and name HZ2) 3.5 1.7 0.0 !!0.159E+07 assign (resid 30 and name HE1) (resid 30 and name HD1) 2.7 0.9 0.0 !!0.350E+07 assign (resid 30 and name HE1) (resid 32 and name HB#) 5.0 3.2 1.0 !!0.312E+06 assign (resid 30 and name HE1) (resid 32 and name HG#) 5.0 3.2 1.0 !!0.345E+06 assign (resid 30 and name HE3) (resid 30 and name HA ) 5.0 3.2 0.0 !!0.409E+06 assign (resid 30 and name HE3) (resid 30 and name HB#) 3.5 1.7 1.0 !!0.204E+07 or 0.123E+06 assign (resid 30 and name HE3) (resid 6 and name HA#) 3.5 1.7 1.0 !!0.400E+06 or 0.100E+07 !assign (resid 30 and name HE3) (resid 32 and name HA ) 5.0 3.2 0.0 !!0.364E+06 assign (resid 30 and name HA ) (resid 30 and name HB#) 2.7 0.9 1.0 !!0.407E+07 or 0.321E+07 assign (resid 30 and name HA ) (resid 8 and name HA#) 2.7 0.9 1.0 !!0.337E+07 or 0.120E+07 assign (resid 30 and name HA ) (resid 29 and name HA ) 5.0 3.2 0.0 !!0.485E+06 assign (resid 30 and name HA ) (resid 29 and name HB#) 5.0 3.2 1.0 !!0.389E+06 !C31 !assign (resid 31 and name HN ) (resid 31 and name HA) 5.0 3.2 0.0 !!0.261E+06 assign (resid 31 and name HN ) (resid 31 and name HB#) 2.7 0.9 1.0 !!0.301E+07 or 0.312E+07 assign (resid 31 and name HN ) (resid 30 and name HA) 2.7 0.9 0.0 !!0.449E+07 assign (resid 31 and name HN ) (resid 30 and name HB#) 3.5 1.7 1.0 !!0.116E+07 assign (resid 31 and name HN ) (resid 7 and name HB#) 5.0 3.2 1.0 assign (resid 31 and name HN ) (resid 7 and name HN) 3.5 1.7 0.0 !!0.224E+07/2? assign (resid 31 and name HN ) (resid 30 and name HN ) 5.0 3.2 0.0 assign (resid 31 and name HN ) (resid 30 and name HD1) 5.0 3.2 0.0 assign (resid 31 and name HN ) (resid 30 and name HE3) 5.0 3.2 0.0 assign (resid 31 and name HB#) (resid 22 and name HB#) 3.5 1.7 2.0 !!0.507E+06 or 0.243E+07 assign (resid 31 and name HB#) (resid 22 and name HD#) 5.0 3.2 3.4 !!0.110E+07 or 0.134E+07 assign (resid 31 and name HA ) (resid 31 and name HB#) 3.5 1.7 1.0 !!0.539E+08? or 0.288E+08 (d2o) assign (resid 31 and name HA) (resid 24 and name HA ) 3.5 1.7 0.0 !!0.205E+08(d2o) !K32 assign (resid 32 and name HN ) (resid 32 and name HA) 5.0 3.2 0.0 !!0.468E+06 assign (resid 32 and name HN ) (resid 32 and name HB#) 3.5 1.7 1.0 !!0.562E+06 or 0.199E+07/2 assign (resid 32 and name HN ) (resid 32 and name HG#) 3.5 1.7 1.0 !!0.154E+07 or 0.580E+06 !assign (resid 32 and name HN ) (resid 32 and name HD#) 5.0 3.2 1.0 !! assign (resid 32 and name HN ) (resid 31 and name HB#) 3.5 1.7 1.0 !!0.546E+06 assign (resid 32 and name HN) (resid 31 and name HA) 5.0 3.2 0.0 assign (resid 32 and name HN) (resid 22 and name HD#) 5.0 3.2 2.4 !!0.384E+06/3 assign (resid 32 and name HN) (resid 23 and name HG#) 5.0 3.2 2.4 !!0.878E+06/3 assign (resid 32 and name HN) (resid 25 and name HN) 5.0 3.2 0.0 !!0.375E+06 assign (resid 32 and name HA ) (resid 32 and name HB#) 3.5 1.7 1.0 !!0.101E+07 or 0.105E+07 assign (resid 32 and name HA ) (resid 32 and name HG#) 5.0 3.2 1.0 !!0.458E+06 assign (resid 32 and name HA ) (resid 32 and name HD#) 5.0 3.2 1.0 !!0.105E+07 (d2o) assign (resid 32 and name HA ) (resid 22 and name HD#) 5.0 3.2 2.4 !!0.135E+08 (d2o) !assign (resid 32 and name HA ) (resid 5 and name HA ) 5.0 3.2 0.0 !!0.124E+07 (d2o) !Y33 assign (resid 33 and name HN ) (resid 33 and name HA) 3.5 1.7 0.0 !!0.130E+07 assign (resid 33 and name HN ) (resid 33 and name HB#) 2.7 0.9 1.0 !!0.189E+07 or 0.281E+07 assign (resid 33 and name HN ) (resid 32 and name HA) 3.5 1.7 0.0 !!0.196E+07 assign (resid 33 and name HN ) (resid 32 and name HB#) 3.5 1.7 1.0 !!0.192E+07 or 0.310E+07/2 assign (resid 33 and name HN ) (resid 32 and name HG#) 5.0 3.2 1.0 !!0.226E+06 assign (resid 33 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4 !!0.636E+06 assign (resid 33 and name HD#) (resid 33 and name HA ) 3.5 1.7 2.4 !!0.296E+07 assign (resid 33 and name HD# )(resid 33 and name HB#) 3.5 1.7 3.4 !!0.401E+07 or 0.420E+07 assign (resid 33 and name HD# )(resid 22 and name HG ) 5.0 3.2 2.4 !!0.629E+06 assign (resid 33 and name HD# )(resid 22 and name HD#) 5.0 3.2 4.8 !!0.132E+07 or 0.365E+06 assign (resid 33 and name HE#) (resid 33 and name HA ) 5.0 3.2 2.4 !!0.136E+06 assign (resid 33 and name HE# )(resid 33 and name HB#) 5.0 3.2 3.4 !!0.338E+06 or 0.437E+06 assign (resid 33 and name HE# )(resid 20 and name HB#) 5.0 3.2 3.4 !!0.771E+06 assign (resid 33 and name HE# )(resid 21 and name HB#) 5.0 3.2 3.4 !!0.539E+06 assign (resid 33 and name HE# )(resid 22 and name HG ) 5.0 3.2 2.4 !!0.681E+06 assign (resid 33 and name HE# )(resid 22 and name HD#) 5.0 3.2 4.8 !!0.254E+06 or 0.834E+06 assign (resid 33 and name HN ) (resid 33 and name HD#) 3.5 1.7 2.4 !!0.123E+07 assign (resid 33 and name HN ) (resid 33 and name HE#) 5.0 3.2 2.4 assign (resid 33 and name HN ) (resid 5 and name HD#) 5.0 3.2 2.4 !!0.550E+06 assign (resid 33 and name HN ) (resid 5 and name HE#) 5.0 3.2 2.4 !!0.944E+06 assign (resid 33 and name HA ) (resid 33 and name HB#) 3.5 1.7 1.0 !!0.261E+07 !E34 assign (resid 34 and name HN ) (resid 34 and name HA) 3.5 1.7 0.0 !!0.208E+07/2 assign (resid 34 and name HN ) (resid 34 and name HG#) 3.5 1.7 1.0 !!0.594E+06 assign (resid 34 and name HN ) (resid 34 and name HB#) 3.5 1.7 1.0 !!0.105E+07 or 0.328E+07/2? !assign (resid 34 and name HN ) (resid 22 and name HA ) 5.0 3.2 0.0 !!0.584E+06 assign (resid 34 and name HN ) (resid 33 and name HB#) 3.5 1.7 1.0 !!0.606E+06 or 0.401E+07/3? assign (resid 34 and name HN ) (resid 33 and name HA ) 2.7 0.9 0.0 !!0.997E+07/3? assign (resid 34 and name HN ) (resid 22 and name HD#) 5.0 3.2 2.4 !!0.287E+06 assign (resid 34 and name HN ) (resid 33 and name HN ) 5.0 3.2 0.0 !!0.192E+06 assign (resid 34 and name HN ) (resid 33 and name HD#) 5.0 3.2 2.4 !!0.610E+06 assign (resid 34 and name HN ) (resid 35 and name HN ) 5.0 3.2 0.0 !!0.161E+06 assign (resid 34 and name HA ) (resid 34 and name HG#) 3.5 1.7 1.0 !!0.119E+07 assign (resid 34 and name HA ) (resid 34 and name HB#) 3.5 1.7 1.0 !!0.101E+07 or 0.707E+07/4? assign (resid 34 and name HA ) (resid 23 and name HG#) 5.0 3.2 2.4 assign (resid 34 and name HG#) (resid 23 and name HG#) 5.0 3.2 3.4 !I35 assign (resid 35 and name HN ) (resid 35 and name HA) 5.0 3.2 0.0 !!0.551E+06 assign (resid 35 and name HN ) (resid 35 and name HB) 3.5 1.7 0.0 !!0.150E+07/2? assign (resid 35 and name HN ) (resid 35 and name HG1#)5.0 3.2 1.0 !!0.171E+06 or 0.240E+06 assign (resid 35 and name HN ) (resid 35 and name HG2#)5.0 3.2 1.0 !!0.300E+06 assign (resid 35 and name HN ) (resid 34 and name HA) 2.7 0.9 0.0 !!0.347E+07 assign (resid 35 and name HN ) (resid 34 and name HB#) 5.0 3.2 1.0 !!0.468E+06 or 0.150E+07/2? assign (resid 35 and name HN ) (resid 34 and name HG#) 5.0 3.2 1.0 !!0.388E+06 assign (resid 35 and name HA ) (resid 35 and name HB) 5.0 3.2 0.0 assign (resid 35 and name HA ) (resid 35 and name HG1#)5.0 3.2 1.0 assign (resid 35 and name HA ) (resid 35 and name HG2#)5.0 3.2 1.0
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