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 |
|
|
9199 |
1nix   |
5675 | 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 !!0.596E+06 assign (resid 1 and name HG#) (resid 1 and name HB#) 3.5 1.7 2.0 !!0.620E+06 !C2 assign (resid 2 and name HN ) (resid 2 and name HA ) 5.0 3.2 0.0 assign (resid 2 and name HN ) (resid 2 and name HB#) 3.5 1.7 1.0 !!0.154E+07 or 0.221E+07/2? assign (resid 2 and name HN ) (resid 1 and name HA ) 2.7 0.9 0.0 !!0.313E+07 assign (resid 2 and name HN ) (resid 1 and name HB#) 3.5 1.7 1.0 !!0.663E+06 assign (resid 2 and name HN ) (resid 1 and name HG#) 5.0 3.2 1.0 !!0.193E+06 assign (resid 2 and name HA ) (resid 2 and name HB#) 2.7 0.9 1.0 !!0.217E+07 or 0.210E+07 assign (resid 2 and name HA ) (resid 3 and name HA ) 5.0 3.2 0.0 !!0.152E+06 assign (resid 2 and name HA ) (resid 3 and name HG#) 5.0 3.2 1.0 assign (resid 2 and name HA ) (resid 17 and name HA ) 5.0 3.2 0.0 !K3 assign (resid 3 and name HN ) (resid 3 and name HA ) 3.5 1.7 0.0 !!0.138E+07/2 assign (resid 3 and name HN ) (resid 3 and name HB#) 3.5 1.7 1.0 !!0.344E+07/2 assign (resid 3 and name HN ) (resid 3 and name HG#) 3.5 1.7 1.0 !!0.984E+06 or 0.638E+06 assign (resid 3 and name HN ) (resid 3 and name HD#) 5.0 3.2 1.0 !!weak assign (resid 3 and name HN ) (resid 2 and name HA ) 5.0 3.2 0.0 !!0.402E+06 assign (resid 3 and name HN ) (resid 2 and name HB#) 3.5 1.7 1.0 !!0.271E+06 or 0.221E+07/2 assign (resid 3 and name HN ) (resid 16 and name HA ) 3.5 1.7 0.0 !!0.189E+07 assign (resid 3 and name HN ) (resid 17 and name HA ) 5.0 3.2 0.0 !!noe400 assign (resid 3 and name HA ) (resid 3 and name HB#) 2.7 0.9 1.0 assign (resid 3 and name HA ) (resid 3 and name HG#) 3.5 1.7 1.0 assign (resid 3 and name HA ) (resid 3 and name HD#) 3.5 1.7 1.0 assign (resid 3 and name HA ) (resid 3 and name HE#) 5.0 3.2 1.0 !assign (resid 3 and name HB#) (resid 3 and name HG#) 3.5 1.7 2.0 !assign (resid 3 and name HB#) (resid 3 and name HD#) 3.5 1.7 2.0 assign (resid 3 and name HE#) (resid 3 and name HD#) 3.5 1.7 2.0 assign (resid 3 and name HN ) (resid 4 and name HN ) 5.0 3.2 0.0 !G4 assign (resid 4 and name HN ) (resid 4 and name HA#) 2.7 0.9 1.0 !!0.111E+07 or 0.375E+07 assign (resid 4 and name HN ) (resid 3 and name HA ) 2.7 0.9 0.0 !!0.632E+07/2 assign (resid 4 and name HN ) (resid 3 and name HB#) 5.0 3.2 1.0 assign (resid 4 and name HN ) (resid 3 and name HG#) 5.0 3.2 1.0 assign (resid 4 and name HN ) (resid 7 and name HB#) 5.0 3.2 1.0 !!0.294E+06 assign (resid 4 and name HN ) (resid 7 and name HG#) 3.5 1.7 1.0 !!0.210E+06 !assign (resid 4 and name HN ) (resid 7 and name HD#) 5.0 3.2 1.0 !F5 assign (resid 5 and name HN ) (resid 5 and name HA ) 3.5 1.7 0.0 !!0.422E+07 assign (resid 5 and name HN ) (resid 5 and name HB#) 2.7 0.9 1.0 !!0.357E+07 or 0.345E+07 assign (resid 5 and name HN ) (resid 4 and name HA#) 2.7 0.9 1.0 !!0.380E+07 assign (resid 5 and name HN ) (resid 29 and name HB#) 5.0 3.2 1.0 assign (resid 5 and name HA ) (resid 5 and name HB#) 3.5 1.7 1.0 !!0.197E+07 or 0.174E+07 assign (resid 5 and name HA ) (resid 29 and name HB#) 5.0 3.2 1.0 !!0.423E+06 or 0.291E+06 assign (resid 5 and name HD#) (resid 5 and name HA ) 3.5 1.7 2.4 !!0.240E+07 assign (resid 5 and name HD#) (resid 5 and name HB#) 3.5 1.7 3.4 !!0.214E+07 or 0.286E+07 assign (resid 5 and name HD#) (resid 6 and name HA#) 5.0 3.2 3.4 !!0.486E+06 assign (resid 5 and name HD#) (resid 30 and name HA ) 3.5 1.7 2.4 !!0.615E+06 assign (resid 5 and name HD#) (resid 31 and name HB ) 5.0 3.2 2.4 assign (resid 5 and name HD#) (resid 31 and name HG#) 5.0 3.2 4.8 !!0.789E+06/3 assign (resid 5 and name HE#) (resid 5 and name HA ) 5.0 3.2 2.4 assign (resid 5 and name HE#) (resid 5 and name HB#) 5.0 3.2 3.4 assign (resid 5 and name HE#) (resid 6 and name HA#) 5.0 3.2 3.4 assign (resid 5 and name HE#) (resid 30 and name HA ) 3.5 1.7 2.4 !!0.567E+06 assign (resid 5 and name HE#) (resid 30 and name HB#) 5.0 3.2 3.4 assign (resid 5 and name HE#) (resid 31 and name HG#) 5.0 3.2 4.8 !!0.122E+06 !G6 assign (resid 6 and name HN ) (resid 6 and name HA#) 2.7 0.9 1.0 !!0.141E+07 or 0.296E+07 assign (resid 6 and name HN ) (resid 5 and name HA ) 2.7 0.9 0.0 !!0.664E+07 assign (resid 6 and name HN ) (resid 5 and name HB#) 5.0 3.2 1.0 !!0.202E+06 or 0.148E+06 assign (resid 6 and name HN ) (resid 29 and name HB#) 3.5 1.7 1.0 !!0.685E+06 or 0.498E+06 assign (resid 6 and name HN ) (resid 5 and name HN ) 5.0 3.2 0.0 !!0.343E+06 assign (resid 6 and name HN ) (resid 5 and name HD#) 5.0 3.2 2.4 !!0.881E+06/2 assign (resid 6 and name HN ) (resid 7 and name HN ) 3.5 1.7 0.0 !!0.156E+07 assign (resid 6 and name HN ) (resid 28 and name HD1) 5.0 3.2 0.0 !!0.284E+06 assign (resid 6 and name HN ) (resid 28 and name HE3) 5.0 3.2 0.0 !!0.158E+07 !assign (resid 6 and name HN ) (resid 28 and name HZ3) 5.0 3.2 0.0 !!0.574E+06 assign (resid 6 and name HN ) (resid 29 and name HN ) 5.0 3.2 0.0 !!0.164E+06 !k7 assign (resid 7 and name HN ) (resid 7 and name HA ) 3.5 1.7 0.0 !!0.125E+07 assign (resid 7 and name HN ) (resid 7 and name HB#) 2.7 0.9 1.0 !!0.314E+07 or assign (resid 7 and name HN ) (resid 7 and name HG#) 3.5 1.7 1.0 !!0.604E+06 or 0.203E+07 assign (resid 7 and name HN ) (resid 7 and name HD#) 5.0 3.2 1.0 !!0.239E+06 or 0.108E+07? assign (resid 7 and name HN ) (resid 3 and name HB#) 5.0 3.2 1.0 assign (resid 7 and name HN ) (resid 5 and name HA ) 5.0 3.2 0.0 !!0.582E+06 assign (resid 7 and name HN ) (resid 6 and name HA#) 3.5 1.7 1.0 !!0.791E+06 or 0.874E+06 assign (resid 7 and name HN ) (resid 28 and name HA ) 5.0 3.2 0.0 assign (resid 7 and name HN ) (resid 28 and name HB#) 5.0 3.2 1.0 assign (resid 7 and name HN ) (resid 29 and name HB#) 3.5 1.7 1.0 !!0.423E+06 or 0.122E+07 assign (resid 7 and name HA ) (resid 7 and name HB#) 3.5 1.7 1.0 assign (resid 7 and name HA ) (resid 7 and name HG#) 3.5 1.7 1.0 assign (resid 7 and name HA ) (resid 7 and name HD#) 3.5 1.7 1.0 assign (resid 7 and name HA ) (resid 7 and name HE#) 5.0 3.2 1.0 assign (resid 7 and name HE#) (resid 7 and name HD#) 3.5 1.7 2.0 assign (resid 7 and name HN ) (resid 8 and name HN ) 5.0 3.2 0.0 !!0.233E+06 !S8 assign (resid 8 and name HN ) (resid 8 and name HA ) 3.5 1.7 0.0 assign (resid 8 and name HN ) (resid 8 and name HB#) 3.5 1.7 1.0 !!0.513E+07/2 assign (resid 8 and name HN ) (resid 7 and name HA ) 2.7 0.9 0.0 !!0.610E+07/2 assign (resid 8 and name HN ) (resid 7 and name HB#) 5.0 3.2 1.0 !!0.525E+06 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#) 3.5 1.7 1.0 !!0.413E+06 or 0.129E+07 assign (resid 8 and name HA ) (resid 8 and name HB#) 2.7 0.9 1.0 !!0.212E+07 (d2o) assign (resid 8 and name HA ) (resid 28 and name HB#) 3.5 1.7 1.0 !!0.787E+06 (d2o) assign (resid 8 and name HB#) (resid 28 and name HB#) 5.0 3.2 2.0 !!0.275E+06 or 0.146E+06 (d2o) !C9 assign (resid 9 and name HN ) (resid 9 and name HA ) 5.0 3.2 0.0 !!0.470E+06 assign (resid 9 and name HN ) (resid 9 and name HB#) 3.5 1.7 1.0 !!0.152E+06 or 0.745E+06 assign (resid 9 and name HN ) (resid 8 and name HB#) 5.0 3.2 1.0 assign (resid 9 and name HN ) (resid 28 and name HA ) 3.5 1.7 0.0 !!0.117E+07 assign (resid 9 and name HN ) (resid 27 and name HB#) 5.0 3.2 1.0 assign (resid 9 and name HA ) (resid 9 and name HB#) 2.7 0.9 1.0 !!0.217E+07 or 0.210E+07 (d2o) assign (resid 9 and name HA ) (resid 3 and name HD#) 5.0 3.2 1.0 !!0.348E+06 (d2o) assign (resid 9 and name HA ) (resid 8 and name HB#) 5.0 3.2 1.0 !!0.145E+06 (d2o) assign (resid 9 and name HA ) (resid 10 and name HA ) 5.0 3.2 0.0 !!0.115E+06 d2o) assign (resid 9 and name HA ) (resid 10 and name HG#) 5.0 3.2 2.4 !!0.217E+06/3 (d2o) assign (resid 9 and name HA ) (resid 15 and name HB#) 5.0 3.2 1.0 !!0.270E+06 (d2o) !assign (resid 9 and name HB#) (resid 3 and name HD#) 5.0 3.2 2.0 assign (resid 9 and name HB#) (resid 15 and name HB#) 3.5 1.7 2.0 !!0.687E+06 or 0.789E+06(d2o) 11/06 !V10 assign (resid 10 and name HN ) (resid 10 and name HA ) 3.5 1.7 0.0 !!0.800E+06 assign (resid 10 and name HN ) (resid 10 and name HB ) 2.7 0.9 0.0 !!0.306E+07 assign (resid 10 and name HN ) (resid 10 and name HG#) 3.5 1.7 2.4 !!0.235E+07/3 assign (resid 10 and name HN ) (resid 9 and name HA ) 3.5 1.7 0.0 !!0.198E+07 assign (resid 10 and name HN ) (resid 9 and name HB#) 3.5 1.7 1.0 !!0.156E+07 or 0.600E+06 !assign (resid 10 and name HN ) (resid 11 and name HB#) 5.0 3.2 1.0 assign (resid 10 and name HN ) (resid 11 and name HD#) 5.0 3.2 1.0 assign (resid 10 and name HN ) (resid 15 and name HB#) 5.0 3.2 1.0 assign (resid 10 and name HN ) (resid 15 and name HG#) 5.0 3.2 1.0 assign (resid 10 and name HA ) (resid 10 and name HB ) 3.5 1.7 0.0 !!0.438E+06 (d2o) assign (resid 10 and name HA ) (resid 10 and name HG#) 3.5 1.7 2.4 !!0.166E+07/3 or 0.196E+07 (d2o) assign (resid 10 and name HA ) (resid 11 and name HG#) 5.0 3.2 1.0 !!0.189E+06 (d2o) assign (resid 10 and name HA ) (resid 11 and name HD#) 2.7 0.9 1.0 !!0.562E+07 or 0.172E+07 (d2o) assign (resid 10 and name HB ) (resid 10 and name HG#) 3.5 1.7 2.4 !!0.404E+07/3 or 0.333E+07 !P11 (d2o) assign (resid 11 and name HA ) (resid 11 and name HB#) 2.7 0.9 1.0 !!0.207E+07 or 0.873E+06 assign (resid 11 and name HA ) (resid 11 and name HG#) 3.5 1.7 1.0 !!0.517E+06 or 0.654E+06 !assign (resid 11 and name HA ) (resid 10 and name HG#) 5.0 3.2 2.4 !! assign (resid 11 and name HA ) (resid 22 and name HB#) 3.5 1.7 1.0 !!0.155E+07 assign (resid 11 and name HD#) (resid 11 and name HG#) 3.5 1.7 2.0 !!0.106E+07 or 0.136E+07 assign (resid 11 and name HD#) (resid 11 and name HB#) 5.0 3.2 2.0 !!0.241E+06 or 0.530E+06 assign (resid 11 and name HD#) (resid 10 and name HG#) 5.0 3.2 3.4 !!0.220E+06 or 0.510E+06 assign (resid 11 and name HD#) (resid 27 and name HB#) 5.0 3.2 2.0 !!0.217E+06 or 0.150E+06 assign (resid 11 and name HD#) (resid 27 and name HG#) 5.0 3.2 2.0 !!0.615E+06? or 0.255E+06 !assign (resid 11 and name HB#) (resid 27 and name HG#) 5.0 3.2 2.0 !!0.354E+06 !G12 assign (resid 12 and name HN ) (resid 12 and name HA#) 3.5 1.7 1.0 !!0.239E+07 or assign (resid 12 and name HN ) (resid 11 and name HA ) 2.7 0.9 0.0 !!0.449E+07 assign (resid 12 and name HN ) (resid 11 and name HB#) 3.5 1.7 1.0 !!0.659E+06 or 0.444E+06 assign (resid 12 and name HN ) (resid 22 and name HB#) 5.0 3.2 1.0 !!0.269E+06 assign (resid 12 and name HN ) (resid 13 and name HN ) 3.5 1.7 0.0 !!0.164E+07 assign (resid 12 and name HN ) (resid 14 and name HN ) 5.0 3.2 0.0 !K13 assign (resid 13 and name HN ) (resid 13 and name HA ) 3.5 1.7 0.0 !!0.110E+07 assign (resid 13 and name HN ) (resid 13 and name HB#) 3.5 1.7 1.0 !!0.102E+07 or 0.262E+07 assign (resid 13 and name HN ) (resid 13 and name HG#) 3.5 1.7 1.0 !!0.395E+06 or 0.649E+06 assign (resid 13 and name HN ) (resid 10 and name HG#) 5.0 3.2 2.4 !!0.420E+06/3 assign (resid 13 and name HN ) (resid 11 and name HA ) 5.0 3.2 0.0 !!0.624E+06 assign (resid 13 and name HN ) (resid 11 and name HB#) 5.0 3.2 1.0 assign (resid 13 and name HN ) (resid 12 and name HA#) 3.5 1.7 1.0 !!0.673E+06 or 0.722E+06 assign (resid 13 and name HA ) (resid 13 and name HB#) 3.5 1.7 1.0 !!0.172E+07 or 0.571E+06 assign (resid 13 and name HA ) (resid 13 and name HG#) 3.5 1.7 1.0 !!0.790E+06 or 0.150E+06 assign (resid 13 and name HA ) (resid 13 and name HD#) 3.5 1.7 1.0 !!0.836E+06 assign (resid 13 and name HB#) (resid 13 and name HG#) 3.5 1.7 2.0 !!0.974E+06 assign (resid 13 and name HB#) (resid 13 and name HD#) 5.0 3.2 2.0 assign (resid 13 and name HN ) (resid 14 and name HN ) 3.5 1.7 0.0 !!0.222E+07 !N14 assign (resid 14 and name HN ) (resid 14 and name HA ) 3.5 1.7 0.0 !!0.103E+07 assign (resid 14 and name HN ) (resid 14 and name HB#) 3.5 1.7 1.0 !!0.497E+06 or 0.771E+06 assign (resid 14 and name HN ) (resid 11 and name HA ) 5.0 3.2 0.0 !assign (resid 14 and name HN ) (resid 11 and name HB#) 5.0 3.2 1.0 assign (resid 14 and name HN ) (resid 12 and name HA#) 5.0 3.2 1.0 assign (resid 14 and name HN ) (resid 13 and name HA ) 3.5 1.7 0.0 !!0.111E+07 assign (resid 14 and name HN ) (resid 13 and name HB#) 3.5 1.7 1.0 !!0.465E+06 or 0.877E+06 assign (resid 14 and name HN ) (resid 15 and name HG#) 5.0 3.2 1.0 assign (resid 14 and name HD2#)(resid 14 and name HB#) 5.0 3.2 2.0 !!0.133E+06 or 0.173E+06 or 0.243E+06 assign (resid 14 and name HA ) (resid 14 and name HB#) 3.5 1.7 1.0 !!0.128E+07 or !E15 assign (resid 15 and name HN ) (resid 15 and name HA ) 3.5 1.7 0.0 !!0.132E+07 assign (resid 15 and name HN ) (resid 15 and name HB#) 3.5 1.7 1.0 !!0.494E+07/3 assign (resid 15 and name HN ) (resid 15 and name HG#) 3.5 1.7 1.0 !!0.494E+07/3 assign (resid 15 and name HN ) (resid 9 and name HB#) 5.0 3.2 1.0 !!0.321E+06 assign (resid 15 and name HN ) (resid 13 and name HB#) 5.0 3.2 1.0 !!0.192E+06 assign (resid 15 and name HN ) (resid 14 and name HA ) 5.0 3.2 0.0 !!0.450E+06 assign (resid 15 and name HN ) (resid 14 and name HB#) 5.0 3.2 1.0 !!noe400 assign (resid 15 and name HN ) (resid 22 and name HB#) 5.0 3.2 1.0 assign (resid 15 and name HA ) (resid 15 and name HB#) 3.5 1.7 1.0 !!0.105E+07 or 0.261E+07 assign (resid 15 and name HA ) (resid 15 and name HG#) 3.5 1.7 1.0 !!0.279E+07 assign (resid 15 and name HB#) (resid 15 and name HG#) 3.5 1.7 2.0 assign (resid 15 and name HN ) (resid 13 and name HN ) 5.0 3.2 0.0 assign (resid 15 and name HN ) (resid 14 and name HN ) 3.5 1.7 0.0 !!0.619E+06 assign (resid 15 and name HN ) (resid 16 and name HN ) 3.5 1.7 0.0 !!0.236E+07 !C16 assign (resid 16 and name HN ) (resid 16 and name HA ) 3.5 1.7 0.0 !!0.889E+06 assign (resid 16 and name HN ) (resid 16 and name HB#) 3.5 1.7 1.0 !!0.989E+06 or 0.249E+07 assign (resid 16 and name HN ) (resid 3 and name HB#) 5.0 3.2 1.0 assign (resid 16 and name HN ) (resid 15 and name HA ) 5.0 3.2 0.0 !! assign (resid 16 and name HN ) (resid 15 and name HB#) 5.0 3.2 1.0 !!0.472E+06 or 0.344E+06 assign (resid 16 and name HN ) (resid 15 and name HG#) 5.0 3.2 1.0 !!0.167E+06 assign (resid 16 and name HN ) (resid 14 and name HA ) 5.0 3.2 0.0 assign (resid 16 and name HN ) (resid 21 and name HA ) 5.0 3.2 0.0 assign (resid 16 and name HA ) (resid 16 and name HB#) 3.5 1.7 1.0 !!0.860E+06 or 0.172E+07 assign (resid 16 and name HA ) (resid 3 and name HA ) 5.0 3.2 0.0 !!0.246E+06 assign (resid 16 and name HA ) (resid 3 and name HB#) 3.5 1.7 1.0 !!0.102E+07 assign (resid 16 and name HA ) (resid 3 and name HG#) 5.0 3.2 1.0 !assign (resid 16 and name HA ) (resid 17 and name HA ) 5.0 3.2 0.0 !assign (resid 16 and name HA ) (resid 9 and name HB#) 5.0 3.2 1.0 assign (resid 16 and name HA ) (resid 29 and name HB#) 5.0 3.2 1.0 assign (resid 16 and name HB#) (resid 29 and name HB#) 3.5 1.7 2.0 !!11/06 !C17 assign (resid 17 and name HN ) (resid 17 and name HA ) 3.5 1.7 0.0 !!0.943E+06 assign (resid 17 and name HN ) (resid 17 and name HB#) 3.5 1.7 1.0 !!0.832E+06 or 0.268E+07 assign (resid 17 and name HN ) (resid 2 and name HB#) 5.0 3.2 1.0 !!0.819E+05 or 0.208E+07/2 assign (resid 17 and name HN ) (resid 3 and name HB#) 5.0 3.2 1.0 !!0.416E+06 assign (resid 17 and name HN ) (resid 4 and name HA#) 5.0 3.2 1.0 !!0.332E+06 assign (resid 17 and name HN ) (resid 16 and name HA ) 2.7 0.9 0.0 !!0.818E+07/2 assign (resid 17 and name HN ) (resid 16 and name HB#) 3.5 1.7 1.0 !!0.208E+07/2 assign (resid 17 and name HN ) (resid 3 and name HA ) 5.0 3.2 0.0 !!0.264E+06 assign (resid 17 and name HA ) (resid 17 and name HB#) 3.5 1.7 1.0 !!0.685E+06 or 0.108E+07 assign (resid 17 and name HA ) (resid 2 and name HB#) 3.5 1.7 1.0 !!0.694E+06 or 0.161E+07 assign (resid 17 and name HN ) (resid 3 and name HN ) 3.5 1.7 0.0 !!0.642E+06 assign (resid 17 and name HN ) (resid 16 and name HN ) 5.0 3.2 0.0 !!0.433E+06/2 assign (resid 17 and name HN ) (resid 18 and name HN ) 5.0 3.2 0.0 !!0.115E+06 !S18 assign (resid 18 and name HN ) (resid 18 and name HA ) 3.5 1.7 0.0 !!0.610E+07/2 assign (resid 18 and name HN ) (resid 18 and name HB#) 2.7 0.9 1.0 !!0.513E+07/2 assign (resid 18 and name HN ) (resid 17 and name HA ) 3.5 1.7 0.0 !!0.254E+07 assign (resid 18 and name HN ) (resid 17 and name HB#) 3.5 1.7 1.0 !!0.107E+07 or 0.251E+07 assign (resid 18 and name HN ) (resid 2 and name HB#) 5.0 3.2 1.0 !!0.188E+06 or 0.301E+06 assign (resid 18 and name HA ) (resid 18 and name HB#) 3.5 1.7 1.0 !G19 assign (resid 19 and name HN ) (resid 19 and name HA#) 2.7 0.9 1.0 !!0.170E+07 or 0.306E+07 assign (resid 19 and name HN ) (resid 18 and name HA ) 2.7 0.9 0.0 !!0.629E+07 assign (resid 19 and name HN ) (resid 18 and name HB#) 3.5 1.7 1.0 !!0.734E+06 assign (resid 19 and name HN ) (resid 18 and name HN ) 5.0 3.2 0.0 !!0.245E+06 assign (resid 19 and name HN ) (resid 20 and name HN ) 3.5 1.7 0.0 !!0.269E+07 assign (resid 19 and name HN ) (resid 32 and name HD#) 5.0 3.2 2.4 !assign (resid 19 and name HA#) (resid 32 and name HB#) 5.0 3.2 2.0 assign (resid 19 and name HA#) (resid 32 and name HD#) 5.0 3.2 3.4 !! 11/06 weak !Y20 assign (resid 20 and name HN ) (resid 20 and name HA ) 3.5 1.7 0.0 !!0.916E+06 assign (resid 20 and name HN ) (resid 20 and name HB#) 3.5 1.7 1.0 !!0.900E+06 or 0.172E+07 assign (resid 20 and name HN ) (resid 18 and name HA ) 5.0 3.2 0.0 !!0.838E+06? 11/05 assign (resid 20 and name HN ) (resid 19 and name HA#) 3.5 1.7 1.0 !!0.836E+06 or 0.725E+06 assign (resid 20 and name HN ) (resid 31 and name HA ) 5.0 3.2 0.0 assign (resid 20 and name HN ) (resid 16 and name HB#) 5.0 3.2 1.0 assign (resid 20 and name HA ) (resid 20 and name HB#) 3.5 1.7 1.0 !!0.156E+07 or assign (resid 20 and name HA ) (resid 21 and name HA ) 5.0 3.2 0.0 !!0.893E+05 (d2o) assign (resid 20 and name HA ) (resid 21 and name HB#) 5.0 3.2 1.0 !!0.550E+06/3 assign (resid 20 and name HA ) (resid 31 and name HA ) 3.5 1.7 0.0 !!0.236E+07 assign (resid 20 and name HA ) (resid 31 and name HG#) 5.0 3.2 2.4 !!0.262E+06/3 !assign (resid 20 and name HA ) (resid 30 and name HD#) 5.0 3.2 1.0 !!0.841E+05 assign (resid 20 and name HA ) (resid 32 and name HB#) 5.0 3.2 1.0 !!0.157E+06 assign (resid 20 and name HA ) (resid 32 and name HD#) 5.0 3.2 2.4 !!0.122E+06/3 !A21 assign (resid 21 and name HN ) (resid 21 and name HA ) 5.0 3.2 0.0 !!0.101E+06 assign (resid 21 and name HN ) (resid 21 and name HB#) 3.5 1.7 1.0 !!0.191E+07/3 assign (resid 21 and name HN ) (resid 20 and name HA ) 2.7 0.9 0.0 !!0.818E+07/2 assign (resid 21 and name HN ) (resid 20 and name HB#) 3.5 1.7 1.0 !!0.101E+07 or 0.303E+07? assign (resid 21 and name HN ) (resid 31 and name HA ) 5.0 3.2 0.0 !!0.431E+06 assign (resid 21 and name HN ) (resid 30 and name HB#) 5.0 3.2 1.0 !!0.142E+07/2 assign (resid 21 and name HN ) (resid 32 and name HB#) 5.0 3.2 1.0 !!0.548E+06 11/05 assign (resid 21 and name HN ) (resid 16 and name HB#) 5.0 3.2 1.0 assign (resid 21 and name HA ) (resid 21 and name HB#) 3.5 1.7 1.0 !!0.283E+07/3 (d2o) assign (resid 21 and name HA ) (resid 16 and name HB#) 3.5 1.7 1.0 !!0.100E+07 or 0.743E+06 (d2o) assign (resid 21 and name HA ) (resid 32 and name HD#) 5.0 3.2 2.4 !! (d2o) assign (resid 21 and name HN ) (resid 20 and name HN ) 5.0 3.2 0.0 !!0.433E+06/2 assign (resid 21 and name HN ) (resid 30 and name HN ) 3.5 1.7 0.0 !!0.758E+06 assign (resid 21 and name HN ) (resid 32 and name HN ) 5.0 3.2 0.0 !!0.408E+06 !C22 assign (resid 22 and name HN ) (resid 22 and name HA ) 5.0 3.2 0.0 !!0.531E+06 assign (resid 22 and name HN ) (resid 22 and name HB#) 2.7 0.9 1.0 !!0.335E+07 assign (resid 22 and name HN ) (resid 11 and name HA ) 5.0 3.2 0.0 assign (resid 22 and name HN ) (resid 16 and name HB#) 5.0 3.2 1.0 !!0.160E+06 assign (resid 22 and name HN ) (resid 21 and name HA ) 3.5 1.7 0.0 !!0.150E+07 assign (resid 22 and name HN ) (resid 21 and name HB#) 5.0 3.2 1.0 !!0.139E+07/3 assign (resid 22 and name HA ) (resid 22 and name HB#) 3.5 1.7 1.0 !!0.226E+07 (d2o) 0.119E+07 (h2o) !N23 assign (resid 23 and name HN ) (resid 23 and name HA ) 3.5 1.7 0.0 !!0.258E+07 ? assign (resid 23 and name HN ) (resid 23 and name HB#) 3.5 1.7 1.0 !!0.235E+07 or 0.226E+07 assign (resid 23 and name HN ) (resid 22 and name HA ) 3.5 1.7 0.0 assign (resid 23 and name HN ) (resid 22 and name HB#) 5.0 3.2 1.0 !!0.426E+06 assign (resid 23 and name HN ) (resid 27 and name HA ) 5.0 3.2 0.0 !!0.185E+06 assign (resid 23 and name HD2#)(resid 23 and name HA ) 5.0 3.2 1.0 !!0.459E+06 assign (resid 23 and name HD2#)(resid 23 and name HB#) 3.5 1.7 2.0 !!0.169E+07 or 0.708E+06 !assign (resid 23 and name HD2#)(resid 7 and name HG#) 5.0 3.2 2.0 !!0.278E+06 assign (resid 23 and name HD2#)(resid 30 and name HD#) 5.0 3.2 2.0 !!0.167E+06 assign (resid 23 and name HA ) (resid 23 and name HB#) 3.5 1.7 1.0 !!0.194E+07 or 0.171E+07 (d2o) 0.148E+07(h2o) assign (resid 23 and name HB#) (resid 26 and name HB#) 5.0 3.2 2.0 !assign (resid 23 and name HB#) (resid 30 and name HB#) 5.0 3.2 2.0 assign (resid 23 and name HB#) (resid 30 and name HG#) 5.0 3.2 2.0 assign (resid 23 and name HB#) (resid 30 and name HD#) 5.0 3.2 2.0 assign (resid 23 and name HN ) (resid 22 and name HN ) 5.0 3.2 0.0 assign (resid 23 and name HN ) (resid 28 and name HN ) 5.0 3.2 0.0 !!0.185E+06 assign (resid 23 and name HN ) (resid 30 and name HN ) 5.0 3.2 0.0 !S24 assign (resid 24 and name HN ) (resid 24 and name HA ) 3.5 1.7 0.0 !!0.293E+07 assign (resid 24 and name HN ) (resid 24 and name HB#) 3.5 1.7 1.0 assign (resid 24 and name HN ) (resid 23 and name HA ) 3.5 1.7 0.0 !!0.199E+07 assign (resid 24 and name HN ) (resid 23 and name HB#) 5.0 3.2 1.0 !!0.327E+06 or 0.114E+06 assign (resid 24 and name HA ) (resid 11 and name HB#) 5.0 3.2 1.0 !!0.398E+06 or 0.333E+06 (d2o) assign (resid 24 and name HA ) (resid 11 and name HG#) 3.5 1.7 1.0 !!0.173E+07 or 0.154E+07(d2o) assign (resid 24 and name HN ) (resid 23 and name HN ) 5.0 3.2 0.0 assign (resid 24 and name HN ) (resid 25 and name HN ) 3.5 1.7 0.0 !!0.996E+06 !assign (resid 24 and name HN ) (resid 26 and name HN ) 5.0 3.2 0.0 !R25 assign (resid 25 and name HN ) (resid 25 and name HA ) 3.5 1.7 0.0 !!0.116E+07 assign (resid 25 and name HN ) (resid 25 and name HB#) 2.7 0.9 1.0 !!0.343E+07 assign (resid 25 and name HN ) (resid 25 and name HG#) 5.0 3.2 1.0 !!0.287E+06 or 0.122E+06 !assign (resid 25 and name HN ) (resid 23 and name HA ) 5.0 3.2 0.0 assign (resid 25 and name HN ) (resid 24 and name HA ) 5.0 3.2 0.0 !!0.111E+07 assign (resid 25 and name HN ) (resid 24 and name HB#) 3.5 1.7 1.0 assign (resid 25 and name HH#) (resid 25 and name HB#) 5.0 3.2 2.0 assign (resid 25 and name HH#) (resid 25 and name HG#) 5.0 3.2 2.0 !!0.321E+06 assign (resid 25 and name HH#) (resid 25 and name HD#) 3.5 1.7 2.0 assign (resid 25 and name HA ) (resid 25 and name HB#) 2.7 0.9 1.0 !!0.333E+07 assign (resid 25 and name HA ) (resid 25 and name HG#) 3.5 1.7 1.0 !!0.861E+06 or 0.601E+06 assign (resid 25 and name HD#) (resid 25 and name HB#) 3.5 1.7 2.0 !!0.100E+07 11/06 assign (resid 25 and name HD#) (resid 25 and name HG#) 3.5 1.7 2.0 !!0.127E+07 or 0.109E+07 11/06 !D26 assign (resid 26 and name HN ) (resid 26 and name HA ) 3.5 1.7 0.0 !!0.201E+07/2 assign (resid 26 and name HN ) (resid 26 and name HB#) 3.5 1.7 1.0 !!0.599E+07/4? assign (resid 26 and name HN ) (resid 23 and name HB#) 5.0 3.2 1.0 !!0.137E+07/2 assign (resid 26 and name HN ) (resid 25 and name HA ) 5.0 3.2 0.0 !!0.574E+06 assign (resid 26 and name HN ) (resid 25 and name HG#) 5.0 3.2 1.0 !! assign (resid 26 and name HA ) (resid 26 and name HB#) 3.5 1.7 1.0 assign (resid 26 and name HN ) (resid 25 and name HN ) 3.5 1.7 0.0 !!0.240E+07 !K27 assign (resid 27 and name HN ) (resid 27 and name HA ) 2.7 0.9 0.0 !!0.574E+07 ? assign (resid 27 and name HN ) (resid 27 and name HB#) 3.5 1.7 1.0 !!0.106E+07 or 0.764E+06 assign (resid 27 and name HN ) (resid 27 and name HG#) 3.5 1.7 1.0 !!0.235E+07 assign (resid 27 and name HN ) (resid 27 and name HD#) 5.0 3.2 1.0 !!0.177E+06 assign (resid 27 and name HN ) (resid 23 and name HB#) 5.0 3.2 1.0 !!0.137E+07/2 assign (resid 27 and name HN ) (resid 25 and name HA ) 5.0 3.2 0.0 assign (resid 27 and name HN ) (resid 26 and name HA ) 3.5 1.7 0.0 !!0.201E+07/2 assign (resid 27 and name HN ) (resid 26 and name HB#) 5.0 3.2 1.0 !!0.599E+07/4? assign (resid 27 and name HA ) (resid 27 and name HB#) 3.5 1.7 1.0 !!0.249E+07 or 213E+07/2? assign (resid 27 and name HA ) (resid 27 and name HG#) 2.7 0.9 1.0 !!0.321E+07 assign (resid 27 and name HA ) (resid 27 and name HD#) 3.5 1.7 1.0 !!0.261E+07/2? assign (resid 27 and name HA ) (resid 27 and name HE#) 5.0 3.2 1.0 assign (resid 27 and name HA ) (resid 11 and name HG#) 5.0 3.2 1.0 assign (resid 27 and name HB#) (resid 27 and name HG#) 3.5 1.7 2.0 !!0.259E+07 assign (resid 27 and name HB#) (resid 27 and name HD#) 3.5 1.7 2.0 assign (resid 27 and name HD#) (resid 27 and name HG#) 3.5 1.7 2.0 !! !W28 assign (resid 28 and name HN ) (resid 28 and name HA ) 5.0 3.2 0.0 !!0.147E+06 assign (resid 28 and name HN ) (resid 27 and name HA ) 3.5 1.7 0.0 !!0.862E+06 assign (resid 28 and name HN ) (resid 27 and name HN ) 3.5 1.7 0.0 !!0.101E+07 assign (resid 28 and name HD1) (resid 28 and name HA ) 5.0 3.2 0.0 !!0.318E+06 assign (resid 28 and name HD1) (resid 28 and name HB#) 3.5 1.7 1.0 !!0.128E+07 or 105E+07 assign (resid 28 and name HD1) (resid 6 and name HA#) 5.0 3.2 1.0 !!0.290E+06 or 0.594E+06 !assign (resid 28 and name HD1) (resid 8 and name HA ) 5.0 3.2 0.0 !assign (resid 28 and name HD1) (resid 26 and name HA ) 5.0 3.2 0.0 !!0.243E+06 assign (resid 28 and name HD1) (resid 26 and name HB#) 5.0 3.2 1.0 !!0.297E+06 or 0.101E+07? assign (resid 28 and name HD1) (resid 30 and name HA ) 5.0 3.2 0.0 !!0.665E+05 11/05 assign (resid 28 and name HD1) (resid 30 and name HB#) 5.0 3.2 1.0 !!0.346E+05 assign (resid 28 and name HD1) (resid 30 and name HG#) 5.0 3.2 1.0 !!0.296E+06 or 0.345E+06 assign (resid 28 and name HE1) (resid 28 and name HD1) 2.7 0.9 0.0 !!0.393E+07 assign (resid 28 and name HE1) (resid 28 and name HZ2) 3.5 1.7 0.0 !!0.185E+07 !assign (resid 28 and name HE1) (resid 28 and name HH2) 5.0 3.2 0.0 !!0.165E+06 11/05 assign (resid 28 and name HE1) (resid 23 and name HB#) 5.0 3.2 1.0 !!0.278E+06 !assign (resid 28 and name HE1) (resid 26 and name HA ) 6.0 4.2 0.0 !!0.712E+05 assign (resid 28 and name HE1) (resid 26 and name HB#) 3.5 1.7 1.0 !!0.722E+06 or 0.259E+06 assign (resid 28 and name HE1) (resid 30 and name HG#) 5.0 3.2 1.0 !!0.329E+06 !assign (resid 28 and name HE3) (resid 28 and name HA ) 5.0 3.2 0.0 !!0.338E+06 assign (resid 28 and name HE3) (resid 28 and name HB#) 3.5 1.7 1.0 !!0.162E+07 or 299E+07/2 !assign (resid 28 and name HE3) (resid 5 and name HB#) 5.0 3.2 1.0 !!0.134E+06 assign (resid 28 and name HE3) (resid 6 and name HA#) 3.5 1.7 1.0 !!0.817E+06 or 299E+07/2 assign (resid 28 and name HE3) (resid 8 and name HA ) 5.0 3.2 0.0 !!(d2o) assign (resid 28 and name HE3) (resid 26 and name HB#) 5.0 3.2 1.0 !!0.145E+06 !assign (resid 28 and name HE3) (resid 30 and name HA ) 5.0 3.2 0.0 !!0.291E+06 !assign (resid 28 and name HE3) (resid 30 and name HB#) 5.0 3.2 1.0 !!0.967E+05 11/05 !assign (resid 28 and name HE3) (resid 30 and name HG#) 5.0 3.2 1.0 !!0.240E+06 or 0.304E+06 11/05 !assign (resid 28 and name HZ3) (resid 30 and name HA ) 5.0 3.2 0.0 !!0.436E+06 assign (resid 28 and name HZ3) (resid 6 and name HA#) 5.0 3.2 1.0 !!0.252E+06 or 0.278E+06 assign (resid 28 and name HA ) (resid 28 and name HB#) 2.7 0.9 1.0 !!0.313E+07 or 0.257E+07 assign (resid 28 and name HA ) (resid 8 and name HA ) 3.5 1.7 0.0 !!0.252E+07 (d2o) 11/05 assign (resid 28 and name HA ) (resid 8 and name HB#) 5.0 3.2 1.0 !!0.336E+06 (d2o) !C29 assign (resid 29 and name HN ) (resid 29 and name HA ) 5.0 3.2 0.0 assign (resid 29 and name HN ) (resid 29 and name HB#) 3.5 1.7 1.0 !!0.263E+07 or 0.294E+07/2 assign (resid 29 and name HN ) (resid 5 and name HA ) 5.0 3.2 0.0 assign (resid 29 and name HN ) (resid 7 and name HB#) 5.0 3.2 1.0 !!0.154E+06 or 0.779E+05 assign (resid 29 and name HN ) (resid 28 and name HA ) 2.7 0.9 0.0 !!0.335E+07 assign (resid 29 and name HN ) (resid 28 and name HB#) 3.5 1.7 1.0 !!0.110E+07 or 0.294E+07/2 assign (resid 29 and name HA ) (resid 29 and name HB#) 3.5 1.7 1.0 !!0.177E+07 or 0.499E+06 (d2o) assign (resid 29 and name HA ) (resid 16 and name HB#) 5.0 3.2 1.0 assign (resid 29 and name HA ) (resid 22 and name HA ) 2.7 0.9 0.0 assign (resid 29 and name HN ) (resid 7 and name HN ) 3.5 1.7 0.0 !!0.670E+06 assign (resid 29 and name HN ) (resid 28 and name HD1) 5.0 3.2 0.0 !!0.314E+06 !assign (resid 29 and name HN ) (resid 28 and name HE3) 6.0 4.2 0.0 !!0.576E+06 !K30 assign (resid 30 and name HN ) (resid 30 and name HA ) 5.0 3.2 0.0 !!0.524E+06 assign (resid 30 and name HN ) (resid 30 and name HB#) 3.5 1.7 1.0 !!0.642E+06 or 0.142E+07/2 assign (resid 30 and name HN ) (resid 30 and name HG#) 5.0 3.2 1.0 !!0.548E+06 or 0.296E+06 assign (resid 30 and name HN ) (resid 30 and name HD#) 5.0 3.2 1.0 !! assign (resid 30 and name HN ) (resid 20 and name HA ) 5.0 3.2 0.0 !! 11/05 assign (resid 30 and name HN ) (resid 20 and name HB#) 5.0 3.2 1.0 !!0.704E+06 assign (resid 30 and name HN ) (resid 29 and name HB#) 5.0 3.2 0.0 !!0.376E+06 or 0.358E+06 assign (resid 30 and name HN ) (resid 22 and name HA ) 5.0 3.2 0.0 !!noe400 assign (resid 30 and name HA ) (resid 30 and name HB#) 3.5 1.7 1.0 !!0.842E+06 or 0.134E+07 (d2o) assign (resid 30 and name HA ) (resid 30 and name HG#) 3.5 1.7 1.0 !!0.408E+06 or 0.928E+06 (d2o) assign (resid 30 and name HA ) (resid 5 and name HA ) 5.0 3.2 0.0 !!0.173E+06 (d2o) weak !assign (resid 30 and name HA ) (resid 20 or 16 or 23 and name HB#) 5.0 3.2 1.0 !!0.643E+05 assign (resid 30 and name HA ) (resid 31 and name HA ) 5.0 3.2 0.0 !!0.100E+06 weak assign (resid 30 and name HB#) (resid 30 and name HG#) 3.5 1.7 2.0 !!0.544E+06 assign (resid 30 and name HE#) (resid 30 and name HG#) 3.5 1.7 2.0 assign (resid 30 and name HE#) (resid 30 and name HD#) 3.5 1.7 2.0 !V31 assign (resid 31 and name HN ) (resid 31 and name HA ) 3.5 1.7 0.0 !!0.110E+07 assign (resid 31 and name HN ) (resid 31 and name HB ) 2.7 0.9 0.0 !!0.305E+07 assign (resid 31 and name HN ) (resid 31 and name HG#) 3.5 1.7 2.4 !!0.228E+07 or 0.494E+06 assign (resid 31 and name HN ) (resid 20 and name HA ) 5.0 3.2 0.0 assign (resid 31 and name HN ) (resid 30 and name HA ) 3.5 1.7 0.0 !!0.169E+07 assign (resid 31 and name HN ) (resid 30 and name HB#) 3.5 1.7 1.0 !!0.144E+07 or 0.659E+06 assign (resid 31 and name HN ) (resid 30 and name HG#) 5.0 3.2 1.0 !!0.190E+06 assign (resid 31 and name HA ) (resid 31 and name HB ) 3.5 1.7 0.0 !!0.137E+07 assign (resid 31 and name HA ) (resid 31 and name HG#) 3.5 1.7 2.4 !!0.278E+07 or 0.155E+07 !assign (resid 31 and name HA ) (resid 20 and name HB#) 5.0 3.2 1.0 !! 0.171E+06 (d2o) assign (resid 31 and name HB ) (resid 31 and name HG#) 5.0 3.2 2.4 !!0.185E+07 or 0.135E+07 assign (resid 31 and name HN ) (resid 32 and name HN ) 5.0 3.2 0.0 !!0.223E+06 assign (resid 31 and name HN ) (resid 5 and name HD#) 5.0 3.2 2.4 !!0.881E+06/2 assign (resid 31 and name HN ) (resid 5 and name HE#) 5.0 3.2 2.4 !!0.809E+06 !L32 assign (resid 32 and name HN ) (resid 32 and name HA ) 3.5 1.7 0.0 !!0.632E+07/2 11/05 assign (resid 32 and name HN ) (resid 32 and name HB#) 3.5 1.7 1.0 !!0.113E+07 or 0.238E+07/3? assign (resid 32 and name HN ) (resid 32 and name HG ) 5.0 3.2 0.0 !!0.238E+07/3? assign (resid 32 and name HN ) (resid 20 and name HA ) 3.5 1.7 0.0 !!0.181E+07 assign (resid 32 and name HN ) (resid 31 and name HA ) 2.7 0.9 0.0 !!0.630E+07 assign (resid 32 and name HN ) (resid 31 and name HB ) 5.0 3.2 0.0 !!0.447E+06 assign (resid 32 and name HN ) (resid 31 and name HG#) 5.0 3.2 2.4 !!0.327E+06 or 0.974E+06 assign (resid 32 and name HA ) (resid 32 and name HB#) 3.5 1.7 1.0 !!0.994E+06 or 0.932E+06 assign (resid 32 and name HA ) (resid 32 and name HG ) 3.5 1.7 0.0 assign (resid 32 and name HA ) (resid 32 and name HD#) 5.0 3.2 2.4 !!0.188E+07/3 !L33 assign (resid 33 and name HN ) (resid 33 and name HA ) 3.5 1.7 0.0 !!0.505E+07 /2 assign (resid 33 and name HN ) (resid 33 and name HB#) 5.0 3.2 1.0 !!0.109E+06 assign (resid 33 and name HN ) (resid 33 and name HG ) 3.5 1.7 0.0 !!0.152E+07 assign (resid 33 and name HN ) (resid 33 and name HD#) 5.0 3.2 2.4 !!0.182E+06 or 0.379E+06 assign (resid 33 and name HN ) (resid 32 and name HA ) 3.5 1.7 0.0 !!0.505E+07 /2 ? assign (resid 33 and name HN ) (resid 32 and name HB#) 5.0 3.2 1.0 !!0.207E+06 or 0.378E+05 assign (resid 33 and name HN ) (resid 32 and name HG ) 5.0 3.2 0.0 !!0.829E+05 assign (resid 33 and name HA ) (resid 33 and name HB#) 3.5 1.7 1.0 assign (resid 33 and name HA ) (resid 33 and name HG ) 3.5 1.7 0.0 !! assign (resid 33 and name HA ) (resid 33 and name HD#) 5.0 3.2 2.4
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