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 |
|
|
25627 |
2kal   |
16834 | cing | 1-original | 2 | XPLOR/CNS | distance | NOE | simple |
!i ==================== base-based NOEs ==================== !s base - base ( 9 ) assign (resid 6 and name H8 ) (resid 7 and name H6 ) 4.8 0.5 0.5 ! diagonal. 3.0 0.6 0.6 assign (resid 8 and name H6 ) (resid 7 and name H6 ) 3.6 0.5 0.5 ! diagonal. 2.6 0.5 0.5 assign (resid 7 and name H6 ) (resid 8 and name H5 ) 3.2 0.8 0.8 assign (resid 10 and name H8 ) (resid 11 and name H5 ) 3.6 0.5 0.5 assign (resid 14 and name H8 ) (resid 15 and name H5 ) 3.9 0.5 0.5 assign (resid 18 and name H8 ) (resid 19 and name H6 ) 3.3 1.2 1.4 assign (resid 19 and name H6 ) (resid 20 and name H5 ) 3.3 0.7 0.7 assign (resid 21 and name H6 ) (resid 22 and name H5 ) 3.7 0.5 0.5 assign (resid 23 and name H8 ) (resid 24 and name H5 ) 3.3 0.5 0.5 assign (resid 1 and name H8 ) (resid 2 and name H6 ) 6.0 1.0 0.0 !a assign (resid 2 and name H6 ) (resid 3 and name H8 ) 6.0 1.0 0.0 !a assign (resid 3 and name H8 ) (resid 4 and name H8 ) 6.0 1.0 0.0 !a assign (resid 4 and name H8 ) (resid 5 and name H8 ) 6.0 1.0 0.0 !a assign (resid 5 and name H8 ) (resid 6 and name H8 ) 6.0 1.0 0.0 !a assign (resid 8 and name H6 ) (resid 9 and name H8 ) 6.0 1.0 0.0 !a assign (resid 9 and name H6 ) (resid 10 and name H8 ) 6.0 1.0 0.0 !a assign (resid 11 and name H6 ) (resid 12 and name H8 ) 6.0 1.0 0.0 !a assign (resid 13 and name H6 ) (resid 14 and name H8 ) 6.0 1.0 0.0 !a assign (resid 15 and name H6 ) (resid 16 and name H8 ) 6.0 1.0 0.0 !a assign (resid 16 and name H8 ) (resid 17 and name H8 ) 6.0 1.0 0.0 !a assign (resid 17 and name H8 ) (resid 18 and name H8 ) 6.0 1.0 0.0 !a assign (resid 20 and name H6 ) (resid 21 and name H6 ) 6.0 1.0 0.0 !a assign (resid 22 and name H6 ) (resid 23 and name H8 ) 6.0 1.0 0.0 !a !i H8/H6 - H1' ( 23 ) assign (resid 4 and name H8 ) (resid 4 and name H1' ) 4.2 0.6 0.6 assign (resid 5 and name H8 ) (resid 5 and name H1' ) 2.8 0.6 0.7 assign (resid 10 and name H8 ) (resid 10 and name H1' ) 3.0 0.5 0.5 assign (resid 14 and name H8 ) (resid 14 and name H1' ) 3.0 0.5 0.5 assign (resid 16 and name H8 ) (resid 16 and name H1' ) 4.0 0.6 0.7 assign (resid 17 and name H8 ) (resid 17 and name H1' ) 3.5 0.5 0.5 assign (resid 19 and name H6 ) (resid 19 and name H1' ) 2.8 0.5 0.5 assign (resid 1 and name H8 ) (resid 1 and name H1' ) 4.1 0.8 0.9 assign (resid 2 and name H6 ) (resid 2 and name H1' ) 3.5 0.9 0.9 assign (resid 3 and name H8 ) (resid 3 and name H1' ) 4.3 0.5 0.5 assign (resid 6 and name H8 ) (resid 6 and name H1' ) 2.8 0.5 0.5 assign (resid 7 and name H6 ) (resid 7 and name H1' ) 4.7 1.4 1.3 assign (resid 8 and name H6 ) (resid 8 and name H1' ) 2.9 0.8 0.8 assign (resid 9 and name H6 ) (resid 9 and name H1' ) 4.2 1.1 1.1 assign (resid 11 and name H6 ) (resid 11 and name H1' ) 3.9 1.1 1.1 assign (resid 12 and name H8 ) (resid 12 and name H1' ) 2.8 0.5 0.7 assign (resid 13 and name H6 ) (resid 13 and name H1' ) 3.3 0.5 0.5 assign (resid 18 and name H8 ) (resid 18 and name H1' ) 3.1 0.5 0.5 assign (resid 20 and name H6 ) (resid 20 and name H1' ) 2.7 0.5 0.6 assign (resid 21 and name H6 ) (resid 21 and name H1' ) 2.9 0.5 0.5 assign (resid 22 and name H6 ) (resid 22 and name H1' ) 3.6 0.5 0.5 assign (resid 23 and name H8 ) (resid 23 and name H1' ) 2.5 0.5 1.0 assign (resid 24 and name H6 ) (resid 24 and name H1' ) 3.9 0.5 0.5 !s H8/H6 - H1' ( 18 ) assign (resid 5 and name H8 ) (resid 4 and name H1' ) 3.2 0.5 0.5 assign (resid 6 and name H8 ) (resid 5 and name H1' ) 2.9 0.5 0.5 assign (resid 11 and name H6 ) (resid 10 and name H1' ) 3.0 0.5 0.5 assign (resid 15 and name H6 ) (resid 14 and name H1' ) 3.1 0.5 0.5 assign (resid 17 and name H8 ) (resid 16 and name H1' ) 2.3 0.6 0.6 assign (resid 18 and name H8 ) (resid 17 and name H1' ) 3.3 0.6 0.6 assign (resid 18 and name H2 ) (resid 19 and name H1' ) 3.6 0.5 0.5 ! 2.5 0.5 0.5 assign (resid 20 and name H6 ) (resid 19 and name H1' ) 3.6 0.5 0.5 ! ol. 2.5 0.5 0.5 assign (resid 2 and name H6 ) (resid 1 and name H1' ) 3.8 0.6 0.6 assign (resid 4 and name H8 ) (resid 3 and name H1' ) 3.6 0.5 0.5 assign (resid 7 and name H6 ) (resid 6 and name H1' ) 2.5 0.5 0.5 assign (resid 8 and name H6 ) (resid 7 and name H1' ) 2.9 0.5 0.7 assign (resid 9 and name H6 ) (resid 8 and name H1' ) 3.2 0.5 0.5 assign (resid 10 and name H8 ) (resid 9 and name H1' ) 5.3 0.8 0.8 assign (resid 14 and name H8 ) (resid 13 and name H1' ) 4.5 0.5 0.5 assign (resid 16 and name H8 ) (resid 15 and name H1' ) 3.9 0.5 0.5 assign (resid 19 and name H6 ) (resid 18 and name H1' ) 2.8 0.5 0.5 assign (resid 24 and name H6 ) (resid 23 and name H1' ) 2.5 0.5 0.5 assign (resid 3 and name H8 ) (resid 2 and name H1' ) 3.0 1.0 0.0 !a assign (resid 12 and name H8 ) (resid 11 and name H1' ) 3.0 1.0 0.5 !a assign (resid 21 and name H6 ) (resid 20 and name H1' ) 3.0 1.0 0.0 !a assign (resid 22 and name H6 ) (resid 21 and name H1' ) 3.0 1.0 0.0 !a assign (resid 23 and name H8 ) (resid 22 and name H1' ) 3.0 1.0 0.0 !a !i H8/H6 - H2' ( 31 ) assign (resid 1 and name H8 ) (resid 1 and name H2' ) 2.3 0.5 0.5 assign (resid 1 and name H8 ) (resid 1 and name H2'' ) 3.6 0.5 0.5 ! ol. 2.1 0.5 0.5 assign (resid 2 and name H6 ) (resid 2 and name H2' ) 1.9 0.5 0.5 assign (resid 2 and name H6 ) (resid 2 and name H2'' ) 2.9 1.0 1.0 assign (resid 4 and name H8 ) (resid 4 and name H2' ) 1.9 0.5 0.5 assign (resid 4 and name H8 ) (resid 4 and name H2'' ) 2.5 0.5 1.0 assign (resid 5 and name H8 ) (resid 5 and name H2' ) 2.3 0.5 0.5 assign (resid 5 and name H8 ) (resid 5 and name H2'' ) 3.0 0.6 0.6 assign (resid 6 and name H8 ) (resid 6 and name H2' ) 2.9 1.3 1.3 assign (resid 7 and name H6 ) (resid 7 and name H2' ) 2.1 0.5 0.5 assign (resid 8 and name H6 ) (resid 8 and name H2'' ) 2.3 0.5 1.0 assign (resid 9 and name H6 ) (resid 9 and name H2' ) 2.1 0.5 0.5 assign (resid 9 and name H6 ) (resid 9 and name H2'' ) 2.9 0.5 1.0 assign (resid 11 and name H6 ) (resid 11 and name H2' ) 2.1 0.5 0.5 assign (resid 11 and name H6 ) (resid 11 and name H2'' ) 3.6 0.5 0.5 ! ol. 2.1 0.5 0.5 assign (resid 12 and name H8 ) (resid 12 and name H2' ) 2.6 0.5 0.5 assign (resid 13 and name H6 ) (resid 13 and name H2' ) 2.4 0.5 0.5 assign (resid 13 and name H6 ) (resid 13 and name H2'' ) 3.3 0.8 0.8 assign (resid 15 and name H6 ) (resid 15 and name H2' ) 2.5 0.5 0.5 assign (resid 15 and name H6 ) (resid 15 and name H2'' ) 2.8 0.5 0.8 assign (resid 16 and name H8 ) (resid 16 and name H2' ) 2.8 0.6 0.6 assign (resid 16 and name H8 ) (resid 16 and name H2'' ) 3.2 1.2 1.3 assign (resid 17 and name H8 ) (resid 17 and name H2' ) 2.6 0.6 0.5 assign (resid 17 and name H8 ) (resid 17 and name H2'' ) 3.8 0.8 0.9 assign (resid 18 and name H8 ) (resid 18 and name H2' ) 1.9 0.5 0.5 assign (resid 19 and name H6 ) (resid 19 and name H2' ) 2.2 0.5 0.5 assign (resid 21 and name H6 ) (resid 21 and name H2' ) 2.2 0.5 0.5 assign (resid 22 and name H6 ) (resid 22 and name H2' ) 2.4 0.5 0.5 assign (resid 22 and name H6 ) (resid 22 and name H2'' ) 3.6 0.5 0.5 ! 2.1 0.5 1.0 assign (resid 24 and name H6 ) (resid 24 and name H2' ) 2.6 0.5 0.5 assign (resid 24 and name H6 ) (resid 24 and name H2'' ) 3.6 0.7 0.7 !s H8/H6 - H2' ( 24 ) assign (resid 2 and name H6 ) (resid 1 and name H2' ) 2.5 0.5 0.5 assign (resid 2 and name H6 ) (resid 1 and name H2'' ) 3.5 0.7 0.7 assign (resid 5 and name H8 ) (resid 4 and name H2'' ) 2.5 0.5 0.5 assign (resid 7 and name H6 ) (resid 6 and name H2' ) 2.7 0.5 0.5 assign (resid 8 and name H5 ) (resid 7 and name H2' ) 2.5 0.5 0.5 assign (resid 9 and name H6 ) (resid 8 and name H2'' ) 3.4 1.1 1.2 assign (resid 10 and name H8 ) (resid 9 and name H2' ) 2.3 0.5 0.5 assign (resid 10 and name H8 ) (resid 9 and name H2'' ) 2.4 0.5 0.5 assign (resid 11 and name H6 ) (resid 10 and name H2'' ) 2.5 0.5 0.5 assign (resid 11 and name H5 ) (resid 10 and name H2'' ) 2.5 0.5 0.5 assign (resid 14 and name H8 ) (resid 13 and name H2' ) 3.0 0.7 0.7 assign (resid 14 and name H8 ) (resid 13 and name H2'' ) 3.0 0.5 0.5 assign (resid 16 and name H8 ) (resid 15 and name H2' ) 2.5 0.5 0.5 assign (resid 16 and name H8 ) (resid 15 and name H2'' ) 2.6 0.5 0.5 assign (resid 17 and name H8 ) (resid 16 and name H2' ) 3.6 0.5 0.5 ! 2.5 0.8 1.1 assign (resid 17 and name H8 ) (resid 16 and name H2'' ) 3.4 0.7 0.7 assign (resid 19 and name H6 ) (resid 18 and name H2' ) 2.7 0.7 0.7 assign (resid 20 and name H5 ) (resid 19 and name H2' ) 2.6 0.6 0.6 assign (resid 21 and name H6 ) (resid 20 and name H2'' ) 2.5 0.5 0.5 assign (resid 22 and name H6 ) (resid 21 and name H2' ) 2.1 0.5 0.5 assign (resid 23 and name H8 ) (resid 22 and name H2'' ) 3.0 0.5 0.5 assign (resid 24 and name H6 ) (resid 23 and name H2'' ) 3.4 1.0 1.0 assign (resid 9 and name H6 ) (resid 8 and name H2' ) 5.0 1.0 0.0 ! 7.1 0.5 0.5 assign (resid 24 and name H6 ) (resid 23 and name H2' ) 2.7 0.5 0.5 assign (resid 3 and name H8 ) (resid 2 and name H2' ) 4.0 1.0 0.0 !a assign (resid 3 and name H8 ) (resid 2 and name H2' ) 4.0 1.0 0.0 !a assign (resid 4 and name H8 ) (resid 3 and name H2' ) 4.0 1.0 0.0 !a assign (resid 4 and name H8 ) (resid 3 and name H2'' ) 3.0 1.0 0.0 !a assign (resid 5 and name H8 ) (resid 4 and name H2' ) 4.0 1.0 0.0 !a assign (resid 6 and name H8 ) (resid 5 and name H2' ) 4.0 1.0 0.0 !a assign (resid 6 and name H8 ) (resid 5 and name H2'' ) 3.0 1.0 0.0 !a assign (resid 7 and name H6 ) (resid 6 and name H2'' ) 3.0 1.0 0.0 !a assign (resid 8 and name H6 ) (resid 7 and name H2' ) 4.0 1.0 0.0 !a assign (resid 8 and name H6 ) (resid 7 and name H2'' ) 3.0 1.0 0.0 !a assign (resid 12 and name H8 ) (resid 11 and name H2' ) 4.0 1.0 0.0 !a assign (resid 12 and name H8 ) (resid 11 and name H2'' ) 3.0 1.0 0.0 !a assign (resid 15 and name H6 ) (resid 14 and name H2' ) 4.0 1.0 0.0 !a assign (resid 15 and name H6 ) (resid 14 and name H2'' ) 3.0 1.0 0.0 !a assign (resid 18 and name H8 ) (resid 17 and name H2' ) 4.0 1.0 0.0 !a assign (resid 18 and name H8 ) (resid 17 and name H2'' ) 3.0 1.0 0.0 !a assign (resid 19 and name H6 ) (resid 18 and name H2'' ) 3.0 1.0 0.0 !a assign (resid 20 and name H6 ) (resid 19 and name H2' ) 4.0 1.0 0.0 !a assign (resid 20 and name H6 ) (resid 19 and name H2'' ) 3.0 1.0 0.0 !a assign (resid 21 and name H6 ) (resid 20 and name H2' ) 4.0 1.0 0.0 !a assign (resid 22 and name H6 ) (resid 21 and name H2'' ) 3.0 1.0 0.0 !a assign (resid 23 and name H8 ) (resid 22 and name H2' ) 4.0 1.0 0.0 !a assign (resid 24 and name H6 ) (resid 23 and name H2' ) 4.0 1.0 0.0 !a !i H8/H6 - H3' ( 17 ) assign (resid 1 and name H8 ) (resid 1 and name H3' ) 3.5 0.5 0.5 assign (resid 2 and name H6 ) (resid 2 and name H3' ) 3.2 1.0 1.0 assign (resid 3 and name H8 ) (resid 3 and name H3' ) 5.0 1.0 0.0 !a assign (resid 4 and name H8 ) (resid 4 and name H3' ) 5.0 1.0 0.0 !a assign (resid 5 and name H8 ) (resid 5 and name H3' ) 4.0 0.5 0.5 assign (resid 6 and name H8 ) (resid 6 and name H3' ) 3.6 0.8 0.8 ! ol. 2.4 0.5 0.5 assign (resid 7 and name H6 ) (resid 7 and name H3' ) 3.1 0.5 0.5 assign (resid 8 and name H6 ) (resid 8 and name H3' ) 2.8 0.5 0.7 assign (resid 9 and name H6 ) (resid 9 and name H3' ) 3.6 0.6 0.6 assign (resid 10 and name H8 ) (resid 10 and name H3' ) 2.6 0.5 0.5 assign (resid 11 and name H6 ) (resid 11 and name H3' ) 2.4 0.5 1.0 assign (resid 12 and name H8 ) (resid 12 and name H3' ) 3.4 0.5 0.5 assign (resid 13 and name H6 ) (resid 13 and name H3' ) 3.9 0.5 0.5 assign (resid 14 and name H8 ) (resid 14 and name H3' ) 3.4 0.5 0.5 assign (resid 15 and name H6 ) (resid 15 and name H3' ) 5.0 1.0 0.0 !a assign (resid 16 and name H8 ) (resid 16 and name H3' ) 3.5 0.5 0.5 assign (resid 17 and name H8 ) (resid 17 and name H3' ) 3.0 0.6 0.7 assign (resid 18 and name H8 ) (resid 18 and name H3' ) 2.6 0.5 0.5 assign (resid 19 and name H6 ) (resid 19 and name H3' ) 2.9 0.7 1.0 assign (resid 20 and name H6 ) (resid 20 and name H3' ) 5.0 1.0 0.0 !a assign (resid 21 and name H6 ) (resid 21 and name H3' ) 3.2 0.5 0.5 assign (resid 22 and name H6 ) (resid 22 and name H3' ) 5.0 1.0 0.0 !a assign (resid 23 and name H8 ) (resid 23 and name H3' ) 5.0 1.0 0.0 !a assign (resid 24 and name H6 ) (resid 24 and name H3' ) 5.0 1.0 0.0 !a !s H8/H6 - H3' ( 11 ) assign (resid 2 and name H6 ) (resid 1 and name H3' ) 5.5 1.0 0.0 !a assign (resid 3 and name H8 ) (resid 2 and name H3' ) 5.5 1.0 0.0 !a assign (resid 4 and name H8 ) (resid 3 and name H3' ) 3.1 0.5 0.5 assign (resid 5 and name H8 ) (resid 4 and name H3' ) 4.9 1.4 1.4 assign (resid 6 and name H8 ) (resid 5 and name H3' ) 2.7 0.5 0.9 assign (resid 7 and name H6 ) (resid 6 and name H3' ) 2.9 0.5 1.2 assign (resid 8 and name H6 ) (resid 7 and name H3' ) 5.5 1.0 0.0 !a assign (resid 9 and name H6 ) (resid 8 and name H3' ) 5.5 1.0 0.0 !a assign (resid 10 and name H8 ) (resid 9 and name H3' ) 3.7 0.5 0.5 assign (resid 11 and name H6 ) (resid 10 and name H3' ) 3.6 0.5 0.5 assign (resid 12 and name H8 ) (resid 11 and name H3' ) 3.9 0.5 0.5 assign (resid 14 and name H8 ) (resid 13 and name H3' ) 4.0 0.5 0.5 assign (resid 15 and name H6 ) (resid 14 and name H3' ) 4.2 1.2 1.3 assign (resid 16 and name H8 ) (resid 15 and name H3' ) 5.5 1.0 0.0 !a assign (resid 17 and name H8 ) (resid 16 and name H3' ) 3.1 0.5 0.5 assign (resid 18 and name H8 ) (resid 17 and name H3' ) 5.5 1.0 0.0 !a assign (resid 19 and name H6 ) (resid 18 and name H3' ) 4.0 1.5 1.5 assign (resid 20 and name H6 ) (resid 19 and name H3' ) 5.5 1.0 0.0 !a assign (resid 21 and name H6 ) (resid 20 and name H3' ) 5.5 1.0 0.0 !a assign (resid 22 and name H6 ) (resid 21 and name H3' ) 5.5 1.0 0.0 !a assign (resid 23 and name H8 ) (resid 22 and name H3' ) 5.5 1.0 0.0 !a assign (resid 24 and name H6 ) (resid 23 and name H3' ) 5.5 1.0 0.0 !a !i H8/H6 - H4' ( 5 ) assign (resid 4 and name H8 ) (resid 4 and name H4' ) 4.3 0.7 0.7 assign (resid 5 and name H8 ) (resid 5 and name H4' ) 4.8 0.5 0.5 ! 3.3 0.5 0.5 assign (resid 10 and name H8 ) (resid 10 and name H4' ) 3.8 0.5 0.5 assign (resid 14 and name H8 ) (resid 14 and name H4' ) 5.0 0.5 0.5 assign (resid 17 and name H8 ) (resid 17 and name H4' ) 4.0 0.5 0.7 !s H8/H6 - H4' ( 3 ) assign (resid 6 and name H8 ) (resid 5 and name H4' ) 3.6 0.8 0.8 ! ol. 2.9 0.5 0.7 assign (resid 15 and name H6 ) (resid 14 and name H4' ) 4.8 0.5 0.5 ! ol. assign (resid 17 and name H8 ) (resid 16 and name H4' ) 4.8 0.5 0.5 ! ol. 3.5 0.5 0.5 !s ==================== sugar-based NOEs ==================== !i H1' - H2' ( 30 ) assign (resid 4 and name H1' ) (resid 4 and name H2' ) 2.3 0.5 0.5 assign (resid 4 and name H1' ) (resid 4 and name H2'' ) 2.4 0.5 0.5 assign (resid 5 and name H1' ) (resid 5 and name H2' ) 1.9 0.5 1.0 assign (resid 10 and name H1' ) (resid 10 and name H2'' ) 2.3 0.5 0.5 assign (resid 16 and name H1' ) (resid 16 and name H2' ) 2.3 0.5 0.5 assign (resid 16 and name H1' ) (resid 16 and name H2'' ) 2.5 0.5 0.5 assign (resid 19 and name H1' ) (resid 19 and name H2' ) 2.5 0.5 0.5 assign (resid 1 and name H1' ) (resid 1 and name H2'' ) 2.1 0.5 0.5 assign (resid 2 and name H1' ) (resid 2 and name H2' ) 4.6 1.3 0.5 assign (resid 2 and name H1' ) (resid 2 and name H2'' ) 2.2 0.5 0.5 assign (resid 6 and name H1' ) (resid 6 and name H2' ) 2.5 0.5 0.5 assign (resid 7 and name H1' ) (resid 7 and name H2' ) 2.4 0.5 0.5 assign (resid 7 and name H1' ) (resid 7 and name H2'' ) 1.9 0.5 0.5 assign (resid 8 and name H1' ) (resid 8 and name H2'' ) 1.9 0.5 0.5 assign (resid 9 and name H1' ) (resid 9 and name H2' ) 2.8 0.5 0.5 assign (resid 9 and name H1' ) (resid 9 and name H2'' ) 2.4 0.5 0.5 assign (resid 11 and name H1' ) (resid 11 and name H2' ) 3.6 0.5 0.5 assign (resid 11 and name H1' ) (resid 11 and name H2'' ) 2.4 0.5 0.5 assign (resid 12 and name H1' ) (resid 12 and name H2' ) 2.2 0.5 0.5 assign (resid 13 and name H1' ) (resid 13 and name H2' ) 4.2 1.0 0.5 assign (resid 13 and name H1' ) (resid 13 and name H2'' ) 2.4 0.5 0.5 assign (resid 15 and name H1' ) (resid 15 and name H2' ) 2.9 0.6 0.6 assign (resid 15 and name H1' ) (resid 15 and name H2'' ) 2.2 0.5 0.5 assign (resid 21 and name H1' ) (resid 21 and name H2' ) 2.2 0.5 0.5 assign (resid 22 and name H1' ) (resid 22 and name H2' ) 4.1 0.8 0.5 assign (resid 22 and name H1' ) (resid 22 and name H2'' ) 2.2 0.5 0.5 assign (resid 23 and name H1' ) (resid 23 and name H2'' ) 3.1 0.6 0.6 assign (resid 23 and name H1' ) (resid 23 and name H2' ) 1.8 0.5 1.0 assign (resid 24 and name H1' ) (resid 24 and name H2' ) 2.6 0.5 0.5 assign (resid 24 and name H1' ) (resid 24 and name H2'' ) 2.5 0.5 0.5 !s H1' - H2' ( 2 ) assign (resid 6 and name H1' ) (resid 7 and name H2' ) 2.9 0.5 1.0 assign (resid 18 and name H1' ) (resid 19 and name H2' ) 3.1 0.5 0.8 !i H1' - H3' ( 18 ) assign (resid 4 and name H1' ) (resid 4 and name H3' ) 3.8 0.9 0.9 assign (resid 5 and name H1' ) (resid 5 and name H3' ) 3.5 0.6 0.6 assign (resid 10 and name H1' ) (resid 10 and name H3' ) 3.4 0.6 0.6 assign (resid 14 and name H1' ) (resid 14 and name H3' ) 3.5 0.5 0.5 assign (resid 16 and name H1' ) (resid 16 and name H3' ) 3.9 0.5 0.5 assign (resid 17 and name H1' ) (resid 17 and name H3' ) 3.3 0.5 0.5 assign (resid 1 and name H1' ) (resid 1 and name H3' ) 3.5 0.5 0.5 assign (resid 2 and name H1' ) (resid 2 and name H3' ) 4.7 0.7 0.7 assign (resid 3 and name H1' ) (resid 3 and name H3' ) 4.0 0.5 0.5 assign (resid 6 and name H1' ) (resid 6 and name H3' ) 3.6 0.5 0.5 ! ol. 2.1 0.5 0.5 assign (resid 7 and name H1' ) (resid 7 and name H3' ) 2.5 1.0 1.0 assign (resid 8 and name H1' ) (resid 8 and name H3' ) 3.3 0.5 0.5 assign (resid 9 and name H1' ) (resid 9 and name H3' ) 3.5 0.5 0.5 assign (resid 11 and name H1' ) (resid 11 and name H3' ) 3.9 0.5 0.5 assign (resid 12 and name H1' ) (resid 12 and name H3' ) 4.2 0.9 0.9 assign (resid 13 and name H1' ) (resid 13 and name H3' ) 3.8 0.5 0.5 assign (resid 18 and name H1' ) (resid 18 and name H3' ) 3.6 0.5 0.5 ! ol. 3.0 0.5 0.5 assign (resid 23 and name H1' ) (resid 23 and name H3' ) 3.3 0.5 0.5 !i H1' - H4' ( 6 ) assign (resid 4 and name H1' ) (resid 4 and name H4' ) 2.9 0.5 0.5 assign (resid 5 and name H1' ) (resid 5 and name H4' ) 2.1 0.5 1.0 assign (resid 10 and name H1' ) (resid 10 and name H4' ) 3.3 0.5 0.5 assign (resid 14 and name H1' ) (resid 14 and name H4' ) 3.0 0.5 0.5 assign (resid 16 and name H1' ) (resid 16 and name H4' ) 2.6 0.5 0.5 assign (resid 17 and name H1' ) (resid 17 and name H4' ) 3.0 0.5 0.5 !s H1' - others ( 4 ) assign (resid 6 and name H1' ) (resid 7 and name H5# ) 3.0 0.5 1.0 assign (resid 8 and name H1' ) (resid 9 and name H5# ) 2.8 0.5 0.8 assign (resid 18 and name H1' ) (resid 19 and name H5# ) 3.6 0.5 0.8 assign (resid 20 and name H1' ) (resid 21 and name H5# ) 3.2 0.5 0.8 !s sequential others ( 15 ) assign (resid 6 and name H8 ) (resid 7 and name H5# ) 2.2 0.5 0.9 assign (resid 7 and name H5# ) (resid 6 and name H2' ) 3.0 0.6 0.6 assign (resid 7 and name H5# ) (resid 6 and name H3' ) 6.0 2.0 0.0 ! 3.1 0.5 0.5 assign (resid 8 and name H5 ) (resid 7 and name H5# ) 6.0 2.0 0.0 ! 3.2 0.5 0.5 assign (resid 9 and name H5# ) (resid 8 and name H6 ) 4.8 1.0 0.0 ! 2.4 0.5 0.7 assign (resid 9 and name H5# ) (resid 8 and name H5 ) 4.8 1.0 0.0 ! 2.6 0.5 0.9 assign (resid 9 and name H5# ) (resid 8 and name H2'' ) 2.8 0.5 0.5 assign (resid 18 and name H8 ) (resid 19 and name H5# ) 2.8 0.8 0.9 assign (resid 19 and name H5# ) (resid 18 and name H3' ) 6.0 2.0 0.0 ! 3.4 0.6 0.6 assign (resid 20 and name H5 ) (resid 19 and name H5# ) 4.8 1.0 0.0 ! 2.9 0.6 0.6 !assign (resid 19 and name H5# ) (resid 20 and name H2'' ) 2.5 0.5 0.5 ! changed to A assign (resid 19 and name H5# ) (resid 18 and name H2' ) 2.5 0.5 0.5 ! A assign (resid 21 and name H5# ) (resid 20 and name H5 ) 6.0 2.0 0.0 ! 3.1 0.5 0.5 assign (resid 21 and name H5# ) (resid 20 and name H2'' ) 2.7 0.5 0.5 assign (resid 22 and name H6 ) (resid 21 and name H5# ) 6.0 2.0 0.0 ! 3.4 0.7 1.2 assign (resid 22 and name H5 ) (resid 21 and name H5# ) 6.0 2.0 0.0 ! 3.4 0.5 0.5 !l ==================== long-range NOEs ==================== !assign (resid 18 and name H2 ) (resid 8 and name H1' ) 3.2 0.5 0.5 !i others ( 44 ) assign (resid 1 and name H2' ) (resid 1 and name H3' ) 2.1 0.5 0.5 assign (resid 1 and name H2'' ) (resid 1 and name H3' ) 3.6 0.9 1.0 assign (resid 2 and name H2' ) (resid 2 and name H3' ) 2.4 0.5 0.5 assign (resid 2 and name H2'' ) (resid 2 and name H3' ) 2.6 0.5 0.5 assign (resid 4 and name H2'' ) (resid 4 and name H3' ) 2.2 0.5 0.5 assign (resid 6 and name H2' ) (resid 6 and name H3' ) 2.0 0.5 0.5 assign (resid 7 and name H5# ) (resid 7 and name H6 ) 4.8 1.5 0.0 ! 2.4 0.5 0.5 assign (resid 7 and name H2' ) (resid 7 and name H3' ) 1.9 0.5 0.5 assign (resid 7 and name H2'' ) (resid 7 and name H3' ) 2.2 0.5 0.5 assign (resid 8 and name H5 ) (resid 8 and name H2'' ) 4.8 0.5 0.5 ! ol. 2.6 0.5 0.5 assign (resid 8 and name H5 ) (resid 8 and name H3' ) 6.0 1.0 1.0 ! diagonal. ol. 2.9 0.5 0.5 assign (resid 9 and name H5# ) (resid 9 and name H6 ) 4.8 1.5 0.0 ! 2.3 0.5 0.5 assign (resid 9 and name H2' ) (resid 9 and name H5# ) 6.0 2.0 0.0 ! diagonal. 2.2 0.5 0.5 assign (resid 9 and name H2'' ) (resid 9 and name H5# ) 6.0 2.0 1.0 ! 5.4 0.5 0.5 assign (resid 9 and name H3' ) (resid 9 and name H5# ) 6.0 2.0 0.0 ! 3.6 0.5 0.8 assign (resid 9 and name H2' ) (resid 9 and name H3' ) 2.4 0.5 0.5 assign (resid 9 and name H2'' ) (resid 9 and name H3' ) 1.9 0.5 0.6 assign (resid 11 and name H5 ) (resid 11 and name H2' ) 3.6 0.9 0.9 assign (resid 11 and name H2' ) (resid 11 and name H3' ) 2.3 0.5 0.5 assign (resid 11 and name H2'' ) (resid 11 and name H3' ) 2.5 0.5 0.5 assign (resid 12 and name H2' ) (resid 12 and name H3' ) 2.7 0.5 0.5 assign (resid 13 and name H2' ) (resid 13 and name H3' ) 2.7 0.5 0.5 assign (resid 13 and name H2'' ) (resid 13 and name H3' ) 2.6 0.5 0.5 assign (resid 16 and name H2' ) (resid 16 and name H3' ) 2.1 0.5 0.5 assign (resid 17 and name H2' ) (resid 17 and name H3' ) 1.9 0.5 0.5 assign (resid 19 and name H5# ) (resid 19 and name H6 ) 4.8 1.5 0.0 ! 2.3 0.5 0.5 assign (resid 19 and name H2' ) (resid 19 and name H5# ) 6.0 2.0 0.0 ! 4.0 0.5 0.5 assign (resid 19 and name H2' ) (resid 19 and name H3' ) 1.9 0.5 0.5 assign (resid 21 and name H5# ) (resid 21 and name H6 ) 4.8 1.5 0.0 ! 2.4 0.5 0.5 assign (resid 21 and name H2' ) (resid 21 and name H5# ) 6.0 2.0 0.0 ! diagonal. 2.5 0.5 0.5 assign (resid 22 and name H5 ) (resid 22 and name H2' ) 2.9 0.5 1.0 assign (resid 23 and name H2'' ) (resid 23 and name H3' ) 2.0 0.5 0.5 assign (resid 24 and name H5 ) (resid 24 and name H2' ) 3.1 0.5 1.0 assign (resid 2 and name H5 ) (resid 2 and name H2'' ) 4.8 0.5 0.5 ! 3.2 0.5 0.5 assign (resid 4 and name H2'' ) (resid 4 and name H4' ) 2.7 0.5 0.9 assign (resid 5 and name H2' ) (resid 5 and name H4' ) 3.2 0.7 0.7 assign (resid 8 and name H2' ) (resid 8 and name H3' ) 2.6 0.5 0.5 assign (resid 9 and name H1' ) (resid 9 and name H5# ) 6.0 2.0 0.0 ! 4.6 0.6 0.9 assign (resid 10 and name H2'' ) (resid 10 and name H4' ) 1.5 0.5 2.5 assign (resid 12 and name H2'' ) (resid 12 and name H3' ) 2.5 0.5 0.5 assign (resid 13 and name H5 ) (resid 13 and name H2' ) 4.3 1.5 1.5 assign (resid 16 and name H2'' ) (resid 16 and name H4' ) 3.3 0.5 0.5 assign (resid 18 and name H2 ) (resid 18 and name H1' ) 3.3 0.5 0.8 assign (resid 21 and name H1' ) (resid 21 and name H5# ) 6.0 2.0 0.0 ! 4.2 1.3 1.3 !------ NOE RESTRAINTS SUMMARY !------ Intra-residue : 174 !------ Sequential : 86 !------ Long-range : 1 !------ Total : 261 set echo=on message=on end set message=off echo=off end ! Watson-Crick geometry : ! Wolfram Saenger, Principles of Nucleic Acid Structure ! pp 118, Springer-Verlag New York Inc. ! ! more flexibility on the terminal base pairs ! FMA ! 2005. 4. 26 ! sequence : 1-GCGAGXTCTGCG-12 ! 24-CGCTCTXGACGC-13
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