NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
467386 |
2g1w   |
cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
! !NOE CONSTRAINTS !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! ! ! RGUA1 ! ------- assign (resid 1 and name H1' and segid A) (resid 1 and name H2' and segid A) 2.80 1.0 0.0 assign (resid 1 and name H1' and segid A) (resid 1 and name H4' and segid A) 3.50 1.0 0.0 assign (resid 1 and name H8 and segid A) (resid 1 and name H1' and segid A) 4.50 1.3 0.0 assign (resid 1 and name H8 and segid A) (resid 1 and name H3' and segid A) 2.80 1.0 0.0 assign (resid 1 and name H8 and segid A) (resid 1 and name H2' and segid A) 4.50 1.2 0.0 assign (resid 1 and name H8 and segid A) (resid 1 and name H4' and segid A) 5.50 2.0 0.0 assign (resid 1 and name H8 and segid A) (resid 1 and (name H5' or name H5'') and segid A) 3.50 1.0 0.0 ! ! RGUA2 ! ------- assign (resid 2 and name H1' and segid A) (resid 2 and name H2' and segid A) 3.20 1.2 0.0 assign (resid 2 and name H1' and segid A) (resid 2 and name H4' and segid A) 3.50 1.0 0.0 assign (resid 2 and name H8 and segid A) (resid 2 and name H1' and segid A) 5.50 2.0 0.0 assign (resid 2 and name H8 and segid A) (resid 2 and name H3' and segid A) 2.80 1.0 0.0 ! ! RGUA3 ! ------- assign (resid 3 and name H1' and segid A) (resid 3 and name H2' and segid A) 3.50 1.0 0.0 assign (resid 3 and name H8 and segid A) (resid 3 and name H1' and segid A) 5.50 2.0 0.0 assign (resid 3 and name H8 and segid A) (resid 3 and name H3' and segid A) 3.50 1.0 0.0 assign (resid 3 and name H8 and segid A) (resid 3 and (name H5' or name H5'') and segid A) 4.50 1.2 0.0 ! ! RGUA4 ! ------- assign (resid 4 and name H1' and segid A) (resid 4 and name H2' and segid A) 2.80 1.0 0.0 assign (resid 4 and name H1' and segid A) (resid 4 and name H4' and segid A) 3.50 1.0 0.0 assign (resid 4 and name H8 and segid A) (resid 4 and name H3' and segid A) 3.50 1.0 0.0 assign (resid 4 and name H8 and segid A) (resid 4 and name H1' and segid A) 5.50 2.0 0.0 assign (resid 4 and name H8 and segid A) (resid 4 and (name H5' or name H5'') and segid A) 3.50 1.0 0.0 ! ! URA5 ! ------- assign (resid 5 and name H1' and segid A) (resid 5 and name H4' and segid A) 3.50 1.0 0.0 assign (resid 5 and name H6 and segid A) (resid 5 and name H1' and segid A) 5.50 2.0 0.0 assign (resid 5 and name H6 and segid A) (resid 5 and name H2' and segid A) 3.20 1.2 0.0 ! ! RGUA6 ! ------- assign (resid 6 and name H1' and segid A) (resid 6 and name H4' and segid A) 3.50 1.0 0.0 assign (resid 6 and name H1' and segid A) (resid 6 and name H2' and segid A) 3.20 1.2 0.0 assign (resid 6 and name H8 and segid A) (resid 6 and name H1' and segid A) 3.70 0.4 0.4 assign (resid 6 and name H8 and segid A) (resid 6 and name H3' and segid A) 5.50 2.0 0.0 assign (resid 6 and name H8 and segid A) (resid 6 and (name H5' or name H5'') and segid A) 4.50 1.2 0.0 ! ! RGUA7 ! ------- assign (resid 7 and name H1' and segid A) (resid 7 and name H2' and segid A) 3.20 1.2 0.0 assign (resid 7 and name H8 and segid A) (resid 7 and name H1' and segid A) 5.50 2.0 0.0 assign (resid 7 and name H8 and segid A) (resid 7 and name H2' and segid A) 3.50 1.0 0.0 assign (resid 7 and name H8 and segid A) (resid 7 and name H3' and segid A) 3.50 1.0 0.0 ! ! ! RCYT8 ! ------- assign (resid 8 and name H1' and segid A) (resid 8 and name H2' and segid A) 2.80 1.0 0.0 assign (resid 8 and name H1' and segid A) (resid 8 and name H4' and segid A) 3.50 1.0 0.0 assign (resid 8 and name H6 and segid A) (resid 8 and name H1' and segid A) 5.50 2.0 0.0 assign (resid 8 and name H6 and segid A) (resid 8 and name H2' and segid A) 5.50 2.0 0.0 assign (resid 8 and name H6 and segid A) (resid 8 and name H3' and segid A) 2.80 1.0 0.0 assign (resid 8 and name H6 and segid A) (resid 8 and (name H5' or name H5'') and segid A) 3.50 0.0 3.5 ! ! URA9 ! ------- assign (resid 9 and name H1' and segid A) (resid 9 and name H4' and segid A) 4.50 1.2 0.0 ! ! RCYT10 ! ------- assign (resid 10 and name H1' and segid A) (resid 10 and name H2' and segid A) 2.80 1.0 0.0 assign (resid 10 and name H6 and segid A) (resid 10 and name H1' and segid A) 5.50 2.0 0.0 assign (resid 10 and name H6 and segid A) (resid 10 and name H2' and segid A) 5.50 2.0 0.0 assign (resid 10 and name H6 and segid A) (resid 10 and name H3' and segid A) 3.20 1.2 0.0 assign (resid 10 and name H6 and segid A) (resid 10 and (name H5' or name H5'') and segid A) 4.50 1.2 0.0 ! ! ! RCYT11 ! ------- assign (resid 11 and name H1' and segid A) (resid 11 and name H2' and segid A) 2.80 1.0 0.0 assign (resid 11 and name H6 and segid A) (resid 11 and name H3' and segid A) 3.50 1.0 0.0 assign (resid 11 and name H6 and segid A) (resid 11 and name H1' and segid A) 5.50 2.0 0.0 ! ! RCYT12 ! ------- assign (resid 12 and name H1' and segid A) (resid 12 and name H2' and segid A) 2.80 1.0 0.0 assign (resid 12 and name H1' and segid A) (resid 12 and name H4' and segid A) 5.50 2.0 0.0 assign (resid 12 and name H6 and segid A) (resid 12 and name H3' and segid A) 2.80 1.0 0.0 assign (resid 12 and name H6 and segid A) (resid 12 and name H1' and segid A) 4.50 1.3 0.0 assign (resid 12 and name H6 and segid A) (resid 12 and (name H5' or name H5'') and segid A) 3.00 0.0 3.0 ! ! RCYT13 ! ------- assign (resid 13 and name H1' and segid A) (resid 13 and name H2' and segid A) 3.50 1.0 0.0 assign (resid 13 and name H1' and segid A) (resid 13 and name H4' and segid A) 3.50 1.0 0.0 assign (resid 13 and name H6 and segid A) (resid 13 and name H3' and segid A) 3.20 1.2 0.0 assign (resid 13 and name H6 and segid A) (resid 13 and name H2' and segid A) 2.80 1.0 0.0 assign (resid 13 and name H6 and segid A) (resid 13 and (name H5' or name H5'') and segid A) 5.50 2.0 0.0 ! ! URA14 ! ------- assign (resid 14 and name H6 and segid A) (resid 14 and name H1' and segid A) 5.50 2.0 0.0 assign (resid 14 and name H6 and segid A) (resid 14 and name H2' and segid A) 2.80 1.0 0.0 assign (resid 14 and name H6 and segid A) (resid 14 and (name H5' or name H5'') and segid A) 3.50 1.0 0.0 ! ! RADE15 ! ------- assign (resid 15 and name H1' and segid A) (resid 15 and name H2' and segid A) 2.80 1.0 0.0 assign (resid 15 and name H8 and segid A) (resid 15 and name H3' and segid A) 2.80 1.0 0.0 assign (resid 15 and name H1' and segid A) (resid 15 and name H4' and segid A) 4.50 1.3 0.0 assign (resid 15 and name H8 and segid A) (resid 15 and name H1' and segid A) 4.50 1.3 0.0 assign (resid 15 and name H8 and segid A) (resid 15 and (name H5' or name H5'') and segid A) 4.50 1.3 0.0 assign (resid 15 and name H8 and segid A) (resid 15 and name H2' and segid A) 3.50 1.0 0.0 ! ! ! RADE16 ! ------- assign (resid 16 and name H1' and segid A) (resid 16 and name H2' and segid A) 2.80 1.0 0.0 assign (resid 16 and name H1' and segid A) (resid 16 and name H4' and segid A) 4.50 1.3 0.0 assign (resid 16 and name H8 and segid A) (resid 16 and name H1' and segid A) 5.50 2.0 0.0 assign (resid 16 and name H8 and segid A) (resid 16 and name H3' and segid A) 2.80 1.0 0.0 assign (resid 16 and name H8 and segid A) (resid 16 and name H2' and segid A) 3.20 1.2 0.0 assign (resid 16 and name H8 and segid A) (resid 16 and name H4' and segid A) 4.50 1.3 0.0 ! ! ! RCYT17 ! ------- assign (resid 17 and name H1' and segid A) (resid 17 and name H2' and segid A) 3.20 1.2 0.0 assign (resid 17 and name H1' and segid A) (resid 17 and name H4' and segid A) 3.50 1.0 0.0 assign (resid 17 and name H6 and segid A) (resid 17 and name H1' and segid A) 5.50 2.0 0.0 assign (resid 17 and name H6 and segid A) (resid 17 and name H2' and segid A) 3.50 1.0 0.0 assign (resid 17 and name H6 and segid A) (resid 17 and name H3' and segid A) 4.50 1.3 0.0 ! ! RADE18 ! ------- assign (resid 18 and name H1' and segid A) (resid 18 and name H2' and segid A) 2.80 1.0 0.0 assign (resid 18 and name H8 and segid A) (resid 18 and name H3' and segid A) 3.50 1.0 0.0 assign (resid 18 and name H8 and segid A) (resid 18 and name H1' and segid A) 4.50 1.3 0.0 assign (resid 18 and name H8 and segid A) (resid 18 and name H2' and segid A) 4.50 1.3 0.0 assign (resid 18 and name H1' and segid A) (resid 18 and name H4' and segid A) 3.50 1.2 0.0 ! ! RGUA19 ! ------- assign (resid 19 and name H1' and segid A) (resid 19 and name H2' and segid A) 3.20 1.2 0.0 assign (resid 19 and name H1' and segid A) (resid 19 and name H4' and segid A) 3.50 1.0 0.0 assign (resid 19 and name H8 and segid A) (resid 19 and name H2' and segid A) 3.20 1.2 0.0 assign (resid 19 and name H8 and segid A) (resid 19 and name H1' and segid A) 5.50 2.0 0.0 assign (resid 19 and name H8 and segid A) (resid 19 and (name H5' or name H5'') and segid A) 3.50 0.0 3.5 ! ! RCYT20 ! ------- assign (resid 20 and name H1' and segid A) (resid 20 and name H2' and segid A) 2.80 1.0 0.0 assign (resid 20 and name H1' and segid A) (resid 20 and name H4' and segid A) 3.50 1.0 0.0 assign (resid 20 and name H6 and segid A) (resid 20 and name H3' and segid A) 3.20 1.2 0.0 ! ! RCYT21 ! ------- assign (resid 21 and name H1' and segid A) (resid 21 and name H2' and segid A) 2.80 1.0 0.0 assign (resid 21 and name H1' and segid A) (resid 21 and name H4' and segid A) 3.50 1.0 0.0 assign (resid 21 and name H6 and segid A) (resid 21 and name H3' and segid A) 3.50 1.0 0.0 ! ! RGUA22 ! ------- assign (resid 22 and name H1' and segid A) (resid 22 and name H2' and segid A) 3.20 1.2 0.0 assign (resid 22 and name H1' and segid A) (resid 22 and name H4' and segid A) 3.20 1.2 0.0 assign (resid 22 and name H8 and segid A) (resid 22 and name H1' and segid A) 5.50 2.0 0.0 assign (resid 22 and name H8 and segid A) (resid 22 and name H2' and segid A) 3.20 1.2 0.0 assign (resid 22 and name H8 and segid A) (resid 22 and name H3' and segid A) 3.50 1.0 0.0 ! ###################################################### ! INTER-res-40 et 60ms-293K ! ###################################################### ! ! RGUA1-RGUA2 ! ------------ assign (resid 1 and name H1' and segid A) (resid 2 and name H8 and segid A) 5.50 2.0 0.0 assign (resid 1 and name H2' and segid A) (resid 2 and name H8 and segid A) 2.80 1.0 0.0 assign (resid 1 and name H2' and segid A) (resid 2 and name H1' and segid A) 3.50 1.0 0.0 assign (resid 1 and name H3' and segid A) (resid 2 and name H8 and segid A) 3.50 1.0 0.0 ! ! RGUA2-RGUA3 ! ------------ assign (resid 2 and name H2' and segid A) (resid 3 and name H8 and segid A) 2.80 1.0 0.0 assign (resid 2 and name H3' and segid A) (resid 3 and name H8 and segid A) 3.20 1.2 0.0 ! ! RGUA3-RGUA4 ! ------------ assign (resid 3 and name H3' and segid A) (resid 4 and name H8 and segid A) 3.50 1.0 0.0 assign (resid 3 and name H2' and segid A) (resid 4 and name H8 and segid A) 3.50 1.0 0.0 ! ! RGUA4-URA5 ! ------------ assign (resid 4 and name H8 and segid A) (resid 5 and name H5 and segid A) 4.50 2.0 0.0 assign (resid 4 and name H3' and segid A) (resid 5 and name H6 and segid A) 2.80 1.0 0.0 assign (resid 4 and name H2' and segid A) (resid 5 and name H6 and segid A) 2.80 1.0 0.0 ! ! URA5-RGUA6 ! ------------ assign (resid 6 and name H8 and segid A) (resid 5 and name H2' and segid A) 3.20 1.2 0.0 ! ! ! URA5-RGUA7 ! ------------ !!assign (resid 7 and name H8 and segid A) (resid 5 and name H2' and segid A) 3.20 1.2 0.0 ! URA5-RCYT8 ! ------------ assign (resid 8 and name H5 and segid A) (resid 5 and name H1' and segid A) 5.50 2.5 0.0 ! ! ! RGUA6-RGUA7 ! ------------ ! assign (resid 6 and name H2' and segid A) (resid 7 and name H8 and segid A) 2.80 1.0 0.0 assign (resid 6 and name H2' and segid A) (resid 7 and name H1' and segid A) 4.50 1.3 0.0 assign (resid 6 and name H3' and segid A) (resid 7 and name H8 and segid A) 2.80 1.0 0.0 ! ! RGUA7-RCYT8 ! ------------ assign (resid 7 and name H2' and segid A) (resid 8 and name H6 and segid A) 3.20 1.2 0.0 assign (resid 7 and name H2' and segid A) (resid 8 and name H5 and segid A) 4.50 1.3 0.0 ! ! ! RCYT8-ADE18 ! ------------! assign (resid 8 and name H2' and segid A) (resid 18 and name H2 and segid A) 4.50 1.3 0.0 ! ! URA9-RCYT10 ! ------------ assign (resid 10 and name H5 and segid A) (resid 9 and name H3' and segid A) 4.50 1.3 0.0 assign (resid 10 and name H6 and segid A) (resid 9 and name H3' and segid A) 3.20 1.2 0.0 assign (resid 10 and name H5 and segid A) (resid 9 and name H2' and segid A) 5.50 2.0 0.0 assign (resid 10 and name H5 and segid A) (resid 9 and name H4' and segid A) 5.50 2.0 0.0 assign (resid 10 and name H6 and segid A) (resid 9 and (name H5' or name H5'') and segid A) 6.50 2.0 0.0 assign (resid 9 and name H1' and segid A) (resid 10 and (name H5' or name H5'') and segid A) 6.50 2.0 0.0 ! ! RCYT8-RCYT10 ! ------------ assign (resid 10 and name H6 and segid A) (resid 8 and name H2' and segid A) 3.50 1.0 0.0 assign (resid 10 and name H5 and segid A) (resid 8 and name H2' and segid A) 3.50 1.0 0.0 ! ! RCYT10-RCYT11 ! ------------ assign (resid 10 and name H6 and segid A) (resid 11 and name H5 and segid A) 6.50 2.0 0.0 assign (resid 10 and name H1' and segid A) (resid 11 and name H6 and segid A) 5.50 2.0 0.0 assign (resid 10 and name H2' and segid A) (resid 11 and name H6 and segid A) 3.20 1.2 0.0 assign (resid 10 and name H3' and segid A) (resid 11 and name H6 and segid A) 3.20 1.2 0.0 assign (resid 10 and name H3' and segid A) (resid 11 and name H5 and segid A) 3.50 1.0 0.0 ! ! RCYT11-ADE18 ! ------------ assign (resid 11 and name H4' and segid A) (resid 18 and name H2 and segid A) 5.50 2.0 0.0 ! ! RCYT11-RCYT12 ! ------------ assign (resid 11 and name H2' and segid A) (resid 12 and name H6 and segid A) 3.20 1.2 0.0 assign (resid 11 and name H3' and segid A) (resid 12 and name H6 and segid A) 3.20 1.2 0.0 assign (resid 11 and name H2' and segid A) (resid 12 and name H1' and segid A) 4.50 1.3 0.0 ! ! RCYT12-RCYT13 ! ------------ assign (resid 12 and name H3' and segid A) (resid 13 and name H6 and segid A) 3.50 1.0 0.0 ! ! RCYT13-RADE15 ! ------------ assign (resid 13 and name H1' and segid A) (resid 15 and name H2 and segid A) 5.50 2.0 0.0 assign (resid 13 and name H4' and segid A) (resid 15 and name H2 and segid A) 4.50 1.3 0.0 assign (resid 13 and name H4' and segid A) (resid 15 and name H1' and segid A) 3.20 1.2 0.0 ! ! RCYT13-URA14 ! ------------ assign (resid 13 and name H4' and segid A) (resid 14 and name H6 and segid A) 4.50 1.3 0.0 ! ! RCYT12-RADE15 ! ------------ assign (resid 12 and name H1' and segid A) (resid 15 and name H2 and segid A) 5.50 2.0 0.0 ! ! ! URA14-RADE15 ! ------------ assign (resid 14 and name H1' and segid A) (resid 15 and name H8 and segid A) 5.50 2.0 0.0 ! ! RADE15-RADE16 ! ------------ assign (resid 15 and name H2' and segid A) (resid 16 and name H8 and segid A) 4.50 1.3 0.0 assign (resid 15 and name H8 and segid A) (resid 16 and name H4' and segid A) 6.50 2.5 0.0 ! ! ! RADE16-RCYT17 ! ------------ assign (resid 17 and name H6 and segid A) (resid 16 and name H4' and segid A) 3.50 1.0 0.0 ! ! RADE16-RADE18-C12-G4-G3 ! ------------ assign (resid 16 and name H2 and segid A) (resid 4 and name H1' and segid A) 6.50 2.5 0.0 assign (resid 16 and name H2 and segid A) (resid 12 and name H1' and segid A) 3.50 1.0 0.0 ! ! ! RCYT17-RADE18 ! ------------ ! RCYT assign (resid 17 and name H3' and segid A) (resid 18 and name H8 and segid A) 5.50 2.0 0.0 assign (resid 17 and name H2' and segid A) (resid 18 and name H8 and segid A) 4.50 1.3 0.0 assign (resid 17 and name H4' and segid A) (resid 18 and name H8 and segid A) 4.50 1.3 0.0 assign (resid 17 and name H1' and segid A) (resid 18 and name H8 and segid A) 5.50 2.0 0.0 assign (resid 17 and name H1' and segid A) (resid 18 and name H4' and segid A) 5.50 2.0 0.0 assign (resid 17 and name H4' and segid A) (resid 18 and name H2' and segid A) 4.50 1.3 0.0 ! ! RADE18-RGUA19 ! ------------ assign (resid 18 and name H2 and segid A) (resid 19 and name H1' and segid A) 4.50 1.3 0.0 assign (resid 18 and name H2' and segid A) (resid 19 and name H1' and segid A) 5.50 2.0 0.0 assign (resid 18 and name H2' and segid A) (resid 19 and name H8 and segid A) 2.80 1.0 0.0 assign (resid 18 and name H3' and segid A) (resid 19 and name H8 and segid A) 3.20 1.2 0.0 ! ! RGUA19-RCYT20 ! ------------ assign (resid 19 and name H2' and segid A) (resid 20 and name H6 and segid A) 2.80 1.0 0.0 assign (resid 19 and name H2' and segid A) (resid 20 and name H1' and segid A) 4.50 1.3 0.0 assign (resid 19 and name H8 and segid A) (resid 20 and name H5 and segid A) 5.50 2.0 0.0 ! ! RCYT20-RCYT21 ! ------------ assign (resid 20 and name H2' and segid A) (resid 21 and name H6 and segid A) 2.80 1.0 0.0 assign (resid 20 and name H2' and segid A) (resid 21 and name H1' and segid A) 4.50 1.3 0.0 ! ! RGUA21-RGUAT22 ! ------------ assign (resid 21 and name H1' and segid A) (resid 22 and name H8 and segid A) 4.50 1.3 0.0 assign (resid 21 and name H2' and segid A) (resid 22 and name H8 and segid A) 3.20 1.2 0.0 !++++++++++++++++++++++++++++++++++++++++++++++++++++++++ !++++++++++++++++++++++++++++++++++++++++++++++++++++++++ !in water !+++++++++++++++++++++++++++ assign (resid 10 and name HO2' and segid A) (resid 11 and name H4' and segid A) 4.50 1.3 0.0 assign (resid 10 and name HO2' and segid A) (resid 10 and name H1' and segid A) 3.20 1.2 0.0 assign (resid 10 and name HO2' and segid A) (resid 10 and name H2' and segid A) 2.80 1.0 0.0 assign (resid 10 and name HO2' and segid A) (resid 18 and name H2 and segid A) 2.80 1.0 0.0 assign (resid 10 and name HO2' and segid A) (resid 18 and (name H61 or name H62) and segid A) 5.50 2.0 0.0 assign (resid 18 and (name H61 or name H62) and segid A) (resid 8 and (name H41 or name H42) and segid A) 4.50 1.3 0.0 ! assign (resid 4 and name H1 and segid A) (resid 18 and name H2 and segid A) 5.50 2.0 0.0 assign (resid 4 and name H1 and segid A) (resid 8 and name H5 and segid A) 5.50 2.0 0.0 assign (resid 4 and name H1 and segid A) (resid 8 and name H6 and segid A) 5.50 2.0 0.0 assign (resid 4 and (name H21 or name H22) and segid A) (resid 18 and (name H61 or name H62) and segid A) 3.50 1.3 0.0 ! assign (resid 19 and name H1 and segid A) (resid 18 and name H2 and segid A) 4.50 1.3 0.0 assign (resid 19 and name H1 and segid A) (resid 18 and (name H61 or name H62) and segid A) 5.50 2.0 0.0 ! !++++++++++++++++++++++++++++++++++++++++++++++++++++++++ !in water !+++++++++++++++++++++++++++=+++++++++++++++++++ assign (resid 15 and (name H61 or name H62) and segid A) (resid 2 and (name H21 or name H22) and segid A) 5.50 2.0 0.0 assign (resid 15 and name H2 and segid A) (resid 2 and (name H21 or name H22) and segid A) 2.80 1.0 0.0 ! assign (resid 16 and name H2 and segid A) (resid 3 and (name H21 or name H22) and segid A) 4.50 1.3 0.0 assign (resid 16 and (name H61 or name H62) and segid A) (resid 3 and (name H21 or name H22) and segid A) 5.50 2.0 0.0 !! assign (resid 1 and (name H21 or name H22) and segid A) (resid 2 and (name H21 or name H22) and segid A) 3.50 0.0 3.5 assign (resid 2 and (name H21 or name H22) and segid A) (resid 3 and (name H21 or name H22) and segid A) 5.50 2.0 0.0 !!U5OH2' !______ assign (resid 5 and name HO2' and segid A) (resid 6 and name H3' and segid A) 3.50 1.0 0.0 assign (resid 5 and name HO2' and segid A) (resid 6 and name H2' and segid A) 3.50 1.0 0.0 assign (resid 5 and name HO2' and segid A) (resid 5 and name H3' and segid A) 4.50 1.2 0.0 assign (resid 5 and name HO2' and segid A) (resid 8 and name H5 and segid A) 5.50 2.5 0.0 ! !inter base pairs !----------------------------------------- assign (resid 13 and name H41 and segid A) (resid 2 and name H1 and segid A) 3.50 0.0 3.5 assign (resid 10 and name H41 and segid A) (resid 3 and name H1 and segid A) 3.50 0.0 3.5 assign (resid 11 and name H41 and segid A) (resid 4 and name H1 and segid A) 3.50 0.0 3.5 assign (resid 8 and name H41 and segid A) (resid 4 and name H1 and segid A) 3.50 0.0 3.5 assign (resid 20 and name H41 and segid A) (resid 19 and name H1 and segid A) 3.50 0.0 3.5 assign (resid 8 and name H41 and segid A) (resid 7 and name H1 and segid A) 3.50 0.0 3.5 assign (resid 21 and name H41 and segid A) (resid 7 and name H1 and segid A) 3.50 0.0 3.5 assign (resid 20 and name H41 and segid A) (resid 6 and name H1 and segid A) 3.50 0.0 3.5 assign (resid 5 and name H3 and segid A) (resid 4 and name H1 and segid A) 3.50 1.0 0.0 ! ############################# !REPULSIVE ! ! #############################sucre-sucre assign (resid 12 and name H1' and segid A) (resid 11 and name H1' and segid A) 4.00 0.0 9.0 assign (resid 15 and name H1' and segid A) (resid 13 and name H1' and segid A) 4.00 0.0 9.0 assign (resid 17 and name H1' and segid A) (resid 15 and name H2' and segid A) 4.00 0.0 9.0 ! ! #############################aro-sucre assign (resid 6 and name H8 and segid A) (resid 5 and name H1' and segid A) 3.50 0.0 9.0 assign (resid 14 and name H6 and segid A) (resid 13 and name H3' and segid A) 4.00 0.0 9.0 assign (resid 15 and name H8 and segid A) (resid 16 and name H1' and segid A) 4.50 0.0 9.0 assign (resid 15 and name H2 and segid A) (resid 14 and name H1' and segid A) 4.50 0.0 9.0 assign (resid 15 and name H2 and segid A) (resid 12 and name H4' and segid A) 4.50 0.0 9.0 assign (resid 15 and name H2 and segid A) (resid 13 and name H5' and segid A) 4.00 0.0 9.0 assign (resid 15 and name H2 and segid A) (resid 13 and name H5'' and segid A) 4.00 0.0 9.0 assign (resid 16 and name H2 and segid A) (resid 11 and name H1' and segid A) 4.50 0.0 9.0 assign (resid 16 and name H8 and segid A) (resid 4 and name H1' and segid A) 4.50 0.0 9.0 assign (resid 16 and name H8 and segid A) (resid 17 and name H1' and segid A) 4.50 0.0 9.0 assign (resid 18 and name H2 and segid A) (resid 16 and name H1' and segid A) 4.00 0.0 9.0 assign (resid 18 and name H2 and segid A) (resid 11 and name H1' and segid A) 3.50 0.0 9.0 assign (resid 18 and name H2 and segid A) (resid 11 and name H1' and segid A) 4.50 0.0 9.0 assign (resid 19 and name H8 and segid A) (resid 18 and name H1' and segid A) 3.50 0.0 9.0 ! ! #############################aro-aro assign (resid 7 and name H8 and segid A) (resid 8 and name H6 and segid A) 4.50 0.0 9.0 assign (resid 15 and name H8 and segid A) (resid 16 and name H8 and segid A) 3.50 0.0 3.5 assign (resid 15 and name H2 and segid A) (resid 16 and name H2 and segid A) 3.50 0.0 3.5 assign (resid 16 and name H8 and segid A) (resid 17 and name H6 and segid A) 3.50 0.0 9.0 !++++++++++++++++++++++++++++++++RUN 26++++++++++++++++++++++++++++++ assign (resid 16 and (name H61 or name H62) and segid A) (resid 15 and (name H61 or name H62) and segid A) 3.00 0.0 9.0
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