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 |
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1028 |
17ra   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! noe constraints for the ra17 hairpin ! last updated 10.17.97 by jeff s. ! ! ! U11 U12 these are the distance restraints i'm using: ! / \ ! A10 A13 very strong 2.40 2.4 0.6 (0.0 - 3.0 A) ! \ / strong 2.90 2.9 1.1 (0.0 - 4.0 A) ! G9 - C14 medium 3.40 3.4 1.6 (0.0 - 5.0 A) ! G8 - C15 weak 3.90 3.9 2.1 (0.0 - 6.0 A) ! A7 very weak 4.40 4.4 2.6 (0.0 - 7.0 A) ! ? U16 ! A6 ! U5 - A17 ! G4 - U18 ! C3 - G19 ! G2 - C20 ! G1 - C21 ! 5' 3' ! ! ! note: crosspeaks aren't (shouldn't) be duplicated here the other way round, ! so to look something up, use this ranking order: ! ! H2 > H5 > H6/8 > H1' > H2' > H3' > H4' > H5' > H5" ! ! note: in all these entries, 5' is the downfield and 5''is the upfield peak ! ! **************************************************************************** ! ! base to base ! ! **************************************************************************** ! assign ( resid 5 and name H6 ) ( resid 6 and name H8 ) 4.40 4.4 2.6 assign ( resid 6 and name H8 ) ( resid 7 and name H8 ) 4.40 4.4 2.6 assign ( resid 8 and name H8 ) ( resid 9 and name H8 ) 4.40 4.4 2.6 assign ( resid 9 and name H8 ) ( resid 10 and name H8 ) 4.40 4.4 2.6 assign ( resid 10 and name H8 ) ( resid 11 and name H6 ) 4.40 4.4 2.6 assign ( resid 13 and name H8 ) ( resid 14 and name H6 ) 4.40 4.4 2.6 assign ( resid 15 and name H6 ) ( resid 16 and name H6 ) 4.40 4.4 2.6 assign ( resid 16 and name H6 ) ( resid 17 and name H8 ) 4.40 4.4 2.6 assign ( resid 17 and name H8 ) ( resid 18 and name H6 ) 4.40 4.4 2.6 assign ( resid 18 and name H6 ) ( resid 19 and name H8 ) 4.40 4.4 2.6 assign ( resid 19 and name H8 ) ( resid 20 and name H6 ) 4.40 4.4 2.6 ! ! noes involving the H2s ! assign ( resid 6 and name H2 ) ( resid 17 and name H8 ) 4.40 4.4 2.6 assign ( resid 6 and name H2 ) ( resid 17 and name H2 ) 4.40 4.4 2.6 assign ( resid 10 and name H2 ) ( resid 14 and name H5 ) 3.90 3.9 2.1 assign ( resid 13 and name H2 ) ( resid 14 and name H5 ) 4.40 4.4 2.6 assign ( resid 17 and name H2 ) ( resid 6 and name H8 ) 4.40 4.4 2.6 assign ( resid 17 and name H2 ) ( resid 18 and name H5 ) 4.40 4.4 2.6 ! ! noes involving the H5s ! assign ( resid 5 and name H5 ) ( resid 4 and name H8 ) 3.40 3.4 1.6 assign ( resid 11 and name H5 ) ( resid 10 and name H8 ) 3.90 3.9 2.1 assign ( resid 14 and name H5 ) ( resid 13 and name H8 ) 3.90 3.9 2.1 assign ( resid 14 and name H5 ) ( resid 15 and name H5 ) 3.90 3.9 2.1 assign ( resid 15 and name H5 ) ( resid 16 and name H6 ) 4.40 4.4 2.6 assign ( resid 16 and name H5 ) ( resid 15 and name H6 ) 3.90 3.9 2.1 assign ( resid 16 and name H5 ) ( resid 17 and name H8 ) 4.40 4.4 2.6 assign ( resid 18 and name H5 ) ( resid 17 and name H8 ) 3.40 3.4 1.6 assign ( resid 20 and name H5 ) ( resid 19 and name H8 ) 3.40 3.4 1.6 assign ( resid 20 and name H5 ) ( resid 21 and name H5 ) 4.40 4.4 2.6 ! ! **************************************************************************** ! ! ! base to sugar, inter-residue ! ! ! **************************************************************************** ! assign ( resid 2 and name H8 ) ( resid 1 and name H1' ) 3.40 3.4 1.6 assign ( resid 2 and name H8 ) ( resid 1 and name H2'') 2.40 2.4 0.6 assign ( resid 3 and name H6 ) ( resid 2 and name H1' ) 3.90 3.9 2.1 assign ( resid 3 and name H6 ) ( resid 2 and name H2'') 3.90 3.9 2.1 assign ( resid 4 and name H8 ) ( resid 3 and name H1' ) 3.90 3.9 2.1 assign ( resid 4 and name H8 ) ( resid 3 and name H2'') 2.40 2.4 0.6 assign ( resid 4 and name H8 ) ( resid 3 and name H3' ) 4.40 4.4 2.6 assign ( resid 5 and name H6 ) ( resid 4 and name H1' ) 3.90 3.9 2.1 assign ( resid 5 and name H6 ) ( resid 4 and name H2'') 2.90 2.9 1.1 assign ( resid 5 and name H6 ) ( resid 4 and name H3' ) 3.40 3.4 1.6 assign ( resid 6 and name H8 ) ( resid 5 and name H1' ) 3.40 3.4 1.6 assign ( resid 6 and name H8 ) ( resid 5 and name H2'') 2.40 2.4 0.6 assign ( resid 6 and name H8 ) ( resid 5 and name H3' ) 3.40 3.4 1.6 assign ( resid 6 and name H8 ) ( resid 7 and name H1' ) 4.40 4.4 2.6 assign ( resid 7 and name H8 ) ( resid 6 and name H1' ) 3.40 3.4 1.6 assign ( resid 7 and name H8 ) ( resid 6 and name H2'') 2.90 2.9 1.1 assign ( resid 7 and name H8 ) ( resid 6 and name H3' ) 3.40 3.4 1.6 assign ( resid 8 and name H8 ) ( resid 7 and name H1' ) 3.40 3.4 1.6 assign ( resid 8 and name H8 ) ( resid 7 and name H2'') 2.90 2.9 1.1 assign ( resid 8 and name H8 ) ( resid 7 and name H3' ) 4.40 4.4 2.6 assign ( resid 9 and name H8 ) ( resid 8 and name H1' ) 3.40 3.4 1.6 assign ( resid 9 and name H8 ) ( resid 8 and name H2'') 2.40 2.4 0.6 assign ( resid 9 and name H8 ) ( resid 8 and name H3' ) 2.90 2.9 1.1 ! assign ( resid 10 and name H8 ) ( resid 9 and name H1' ) 3.90 3.9 2.1 assign ( resid 10 and name H8 ) ( resid 9 and name H2'') 2.90 2.9 1.1 assign ( resid 10 and name H8 ) ( resid 9 and name H3' ) 2.90 2.9 1.1 assign ( resid 10 and name H8 ) ( resid 9 and name H4' ) 3.40 3.4 1.6 assign ( resid 10 and name H8 ) ( resid 9 and name H5' ) 3.90 3.9 2.1 assign ( resid 10 and name H8 ) ( resid 9 and name H5'') 3.90 3.9 2.1 assign ( resid 11 and name H6 ) ( resid 10 and name H1' ) 4.40 4.4 2.6 assign ( resid 11 and name H6 ) ( resid 10 and name H2'') 2.40 2.4 0.6 assign ( resid 11 and name H6 ) ( resid 10 and name H3' ) 2.90 2.9 1.1 assign ( resid 11 and name H6 ) ( resid 10 and name H4' ) 4.40 4.4 2.6 assign ( resid 12 and name H6 ) ( resid 11 and name H1' ) 3.40 3.4 1.6 assign ( resid 12 and name H6 ) ( resid 11 and name H2'') 4.40 4.4 2.6 assign ( resid 12 and name H6 ) ( resid 11 and name H3' ) 3.40 3.4 1.6 assign ( resid 12 and name H6 ) ( resid 11 and name H4' ) 3.90 3.9 2.1 assign ( resid 13 and name H8 ) ( resid 12 and name H1' ) 3.90 3.9 2.1 assign ( resid 13 and name H8 ) ( resid 12 and name H2'') 3.40 3.4 1.6 assign ( resid 13 and name H8 ) ( resid 12 and name H3' ) 3.40 3.4 1.6 assign ( resid 13 and name H8 ) ( resid 12 and name H4' ) 4.40 4.4 2.6 assign ( resid 13 and name H8 ) ( resid 12 and name H5' ) 4.40 4.4 2.6 assign ( resid 13 and name H8 ) ( resid 12 and name H5'') 4.40 4.4 2.6 assign ( resid 14 and name H6 ) ( resid 13 and name H1' ) 3.40 3.4 1.6 assign ( resid 14 and name H6 ) ( resid 13 and name H2'') 3.40 3.4 1.6 assign ( resid 14 and name H6 ) ( resid 13 and name H3' ) 3.40 3.4 1.6 assign ( resid 14 and name H6 ) ( resid 13 and name H4' ) 3.40 3.4 1.6 assign ( resid 14 and name H6 ) ( resid 13 and name H5' ) 3.90 3.9 2.1 assign ( resid 14 and name H6 ) ( resid 13 and name H5'') 3.90 3.9 2.1 ! assign ( resid 15 and name H6 ) ( resid 14 and name H1' ) 3.40 3.4 1.6 assign ( resid 15 and name H6 ) ( resid 14 and name H2'') 3.40 3.4 1.6 assign ( resid 15 and name H6 ) ( resid 14 and name H3' ) 3.90 3.9 2.1 assign ( resid 16 and name H6 ) ( resid 15 and name H1' ) 3.90 3.9 2.1 assign ( resid 16 and name H6 ) ( resid 15 and name H2'') 2.40 2.4 0.6 assign ( resid 16 and name H6 ) ( resid 15 and name H3' ) 2.90 2.9 1.1 assign ( resid 17 and name H8 ) ( resid 16 and name H1' ) 3.40 3.4 1.6 assign ( resid 17 and name H8 ) ( resid 16 and name H2'') 2.40 2.4 0.6 assign ( resid 17 and name H8 ) ( resid 16 and name H3' ) 3.40 3.4 1.6 assign ( resid 17 and name H8 ) ( resid 16 and name H4' ) 3.90 3.9 2.1 assign ( resid 17 and name H8 ) ( resid 18 and name H1' ) 4.40 4.4 2.6 assign ( resid 18 and name H6 ) ( resid 17 and name H1' ) 3.40 3.4 1.6 assign ( resid 18 and name H6 ) ( resid 17 and name H2'') 2.40 2.4 0.6 assign ( resid 18 and name H6 ) ( resid 17 and name H3' ) 3.40 3.4 1.6 assign ( resid 18 and name H6 ) ( resid 17 and name H4' ) 3.40 3.4 1.6 assign ( resid 18 and name H6 ) ( resid 17 and name H5' ) 4.40 4.4 2.6 assign ( resid 19 and name H8 ) ( resid 18 and name H1' ) 3.40 3.4 1.6 assign ( resid 19 and name H8 ) ( resid 18 and name H2'') 2.40 2.4 0.6 assign ( resid 19 and name H8 ) ( resid 18 and name H3' ) 3.40 3.4 1.6 assign ( resid 20 and name H6 ) ( resid 19 and name H1' ) 3.40 3.4 1.6 assign ( resid 20 and name H6 ) ( resid 19 and name H2'') 2.40 2.4 0.6 assign ( resid 20 and name H6 ) ( resid 19 and name H3' ) 2.90 2.9 1.1 assign ( resid 21 and name H6 ) ( resid 20 and name H2'') 2.40 2.4 0.6 assign ( resid 21 and name H6 ) ( resid 20 and name H3' ) 3.90 3.9 2.1 ! ! noes involving the H2s ! assign ( resid 6 and name H2 ) ( resid 7 and name H1' ) 4.40 4.4 2.6 assign ( resid 6 and name H2 ) ( resid 17 and name H1' ) 3.90 3.9 2.1 assign ( resid 7 and name H2 ) ( resid 8 and name H1' ) 3.40 3.4 1.6 assign ( resid 7 and name H2 ) ( resid 16 and name H1' ) 3.40 3.4 1.6 assign ( resid 7 and name H2 ) ( resid 16 and name H2'') 3.40 3.4 1.6 assign ( resid 7 and name H2 ) ( resid 17 and name H1' ) 3.40 3.4 1.6 ! !assign ( resid 10 and name H2 ) ( resid 9 and name H2'') 4.40 4.4 2.6 ! or is it A10 H2 to A13 H4'? assign ( resid 10 and name H2 ) ( resid 11 and name H1' ) 3.40 3.4 1.6 assign ( resid 10 and name H2 ) ( resid 11 and name H2'') 3.90 3.9 2.1 assign ( resid 10 and name H2 ) ( resid 11 and name H3' ) 4.40 4.4 2.6 assign ( resid 10 and name H2 ) ( resid 11 and name H4' ) 4.40 4.4 2.6 assign ( resid 10 and name H2 ) ( resid 11 and name H5' ) 4.40 4.4 2.6 assign ( resid 10 and name H2 ) ( resid 11 and name H5'') 4.40 4.4 2.6 assign ( resid 10 and name H2 ) ( resid 12 and name H1' ) 4.40 4.4 2.6 assign ( resid 10 and name H2 ) ( resid 12 and name H4' ) 4.40 4.4 2.6 assign ( resid 10 and name H2 ) ( resid 12 and name H5'') 4.40 4.4 2.6 assign ( resid 10 and name H2 ) ( resid 13 and name H1' ) 4.40 4.4 2.6 assign ( resid 10 and name H2 ) ( resid 13 and name H2'') 4.40 4.4 2.6 assign ( resid 10 and name H2 ) ( resid 14 and name H1' ) 3.40 3.4 1.6 !assign ( resid 13 and name H2 ) ( resid 9 and name H1' ) 4.40 4.4 2.6 !this one doesn't make sense.. !assign ( resid 13 and name H2 ) ( resid 10 and name H2'') 4.40 4.4 2.6 ! could be U11 H3', not sure yet assign ( resid 13 and name H2 ) ( resid 10 and name H3' ) 4.40 4.4 2.6 assign ( resid 13 and name H2 ) ( resid 11 and name H1' ) 4.40 4.4 2.6 assign ( resid 13 and name H2 ) ( resid 11 and name H3' ) 4.40 4.4 2.6 assign ( resid 13 and name H2 ) ( resid 11 and name H4' ) 3.90 3.9 2.1 assign ( resid 13 and name H2 ) ( resid 11 and name H5' ) 3.40 3.4 1.6 assign ( resid 13 and name H2 ) ( resid 11 and name H5'') 3.40 3.4 1.6 assign ( resid 13 and name H2 ) ( resid 12 and name H1' ) 4.40 4.4 2.6 assign ( resid 13 and name H2 ) ( resid 12 and name H4' ) 4.40 4.4 2.6 assign ( resid 13 and name H2 ) ( resid 12 and name H5'') 4.40 4.4 2.6 assign ( resid 13 and name H2 ) ( resid 14 and name H1' ) 3.90 3.9 2.1 ! assign ( resid 17 and name H2 ) ( resid 6 and name H1' ) 3.40 3.4 1.6 assign ( resid 17 and name H2 ) ( resid 18 and name H1' ) 2.90 2.9 1.1 assign ( resid 17 and name H2 ) ( resid 18 and name H2'') 4.40 4.4 2.6 assign ( resid 17 and name H2 ) ( resid 18 and name H4' ) 4.40 4.4 2.6 ! ! noes involving the H5s ! assign ( resid 3 and name H5 ) ( resid 2 and name H1' ) 4.40 4.4 2.6 assign ( resid 3 and name H5 ) ( resid 2 and name H2'') 3.40 3.4 1.6 assign ( resid 3 and name H5 ) ( resid 2 and name H3' ) 3.90 3.9 2.1 assign ( resid 5 and name H5 ) ( resid 4 and name H1' ) 3.40 3.4 1.6 assign ( resid 5 and name H5 ) ( resid 4 and name H2'') 3.90 3.9 2.1 assign ( resid 5 and name H5 ) ( resid 4 and name H3' ) 3.40 3.4 1.6 assign ( resid 5 and name H5 ) ( resid 4 and name H3' ) 3.90 3.9 2.1 ! assign ( resid 11 and name H5 ) ( resid 10 and name H2'') 3.40 3.4 1.6 assign ( resid 11 and name H5 ) ( resid 10 and name H3' ) 3.40 3.4 1.6 assign ( resid 11 and name H5 ) ( resid 10 and name H4' ) 4.40 4.4 2.6 assign ( resid 11 and name H5 ) ( resid 10 and name H5' ) 4.40 4.4 2.6 assign ( resid 14 and name H5 ) ( resid 13 and name H1' ) 4.40 4.4 2.6 assign ( resid 14 and name H5 ) ( resid 13 and name H2'') 4.40 4.4 2.6 assign ( resid 14 and name H5 ) ( resid 13 and name H3' ) 4.40 4.4 2.6 assign ( resid 14 and name H5 ) ( resid 13 and name H4' ) 4.40 4.4 2.6 ! assign ( resid 15 and name H5 ) ( resid 14 and name H1' ) 4.40 4.4 2.6 assign ( resid 15 and name H5 ) ( resid 14 and name H2'') 3.40 3.4 1.6 assign ( resid 15 and name H5 ) ( resid 14 and name H3' ) 3.90 3.9 2.1 assign ( resid 16 and name H5 ) ( resid 15 and name H2'') 3.90 3.9 2.1 assign ( resid 18 and name H5 ) ( resid 17 and name H1' ) 4.40 4.4 2.6 assign ( resid 18 and name H5 ) ( resid 17 and name H2'') 3.40 3.4 1.6 assign ( resid 18 and name H5 ) ( resid 17 and name H3' ) 3.40 3.4 1.6 assign ( resid 18 and name H5 ) ( resid 17 and name H4' ) 4.40 4.4 2.6 assign ( resid 20 and name H5 ) ( resid 19 and name H1' ) 4.40 4.4 2.6 assign ( resid 20 and name H5 ) ( resid 19 and name H2'') 3.40 3.4 1.6 assign ( resid 20 and name H5 ) ( resid 19 and name H3' ) 3.40 3.4 1.6 assign ( resid 21 and name H5 ) ( resid 20 and name H2'') 3.90 3.9 2.1 assign ( resid 21 and name H5 ) ( resid 20 and name H3' ) 4.40 4.4 2.6 ! ! **************************************************************************** ! ! ! base to sugar, intra-residue ! ! ! **************************************************************************** ! assign ( resid 1 and name H8 ) ( resid 1 and name H1' ) 3.40 3.4 1.6 assign ( resid 2 and name H8 ) ( resid 2 and name H1' ) 3.40 3.4 1.6 assign ( resid 2 and name H8 ) ( resid 2 and name H2'') 3.90 3.9 2.1 assign ( resid 2 and name H8 ) ( resid 2 and name H3' ) 4.40 4.4 2.6 assign ( resid 2 and name H8 ) ( resid 2 and name H5' ) 4.40 4.4 2.6 assign ( resid 2 and name H8 ) ( resid 2 and name H5'') 3.40 3.4 1.6 assign ( resid 3 and name H6 ) ( resid 3 and name H1' ) 3.40 3.4 1.6 assign ( resid 3 and name H6 ) ( resid 3 and name H2'') 3.40 3.4 1.6 assign ( resid 3 and name H6 ) ( resid 3 and name H3' ) 3.40 3.4 1.6 assign ( resid 3 and name H6 ) ( resid 3 and name H4' ) 3.40 3.4 1.6 assign ( resid 3 and name H6 ) ( resid 3 and name H5' ) 4.40 4.4 2.6 assign ( resid 3 and name H6 ) ( resid 3 and name H5'') 3.40 3.4 1.6 assign ( resid 4 and name H8 ) ( resid 4 and name H1' ) 3.40 3.4 1.6 assign ( resid 4 and name H8 ) ( resid 4 and name H2'') 3.40 3.4 1.6 assign ( resid 4 and name H8 ) ( resid 4 and name H3' ) 3.40 3.4 1.6 assign ( resid 4 and name H8 ) ( resid 4 and name H4' ) 3.40 3.4 1.6 assign ( resid 4 and name H8 ) ( resid 4 and name H5' ) 3.40 3.4 1.6 assign ( resid 4 and name H8 ) ( resid 4 and name H5'') 3.40 3.4 1.6 assign ( resid 5 and name H6 ) ( resid 5 and name H1' ) 3.40 3.4 1.6 assign ( resid 5 and name H6 ) ( resid 5 and name H2'') 3.40 3.4 1.6 assign ( resid 5 and name H6 ) ( resid 5 and name H3' ) 2.90 2.9 1.1 assign ( resid 5 and name H6 ) ( resid 5 and name H5' ) 4.40 4.4 2.6 assign ( resid 5 and name H6 ) ( resid 5 and name H5'') 3.40 3.4 1.6 assign ( resid 6 and name H8 ) ( resid 6 and name H1' ) 3.40 3.4 1.6 assign ( resid 6 and name H8 ) ( resid 6 and name H2'') 2.40 2.4 0.6 assign ( resid 6 and name H8 ) ( resid 6 and name H3' ) 3.40 3.4 1.6 assign ( resid 6 and name H8 ) ( resid 6 and name H4' ) 4.40 4.4 2.6 assign ( resid 6 and name H8 ) ( resid 6 and name H5' ) 3.40 3.4 1.6 assign ( resid 6 and name H8 ) ( resid 6 and name H5'') 3.40 3.4 1.6 assign ( resid 7 and name H8 ) ( resid 7 and name H1' ) 3.40 3.4 1.6 assign ( resid 7 and name H8 ) ( resid 7 and name H2'') 2.90 2.9 1.1 assign ( resid 7 and name H8 ) ( resid 7 and name H3' ) 4.40 4.4 2.6 assign ( resid 7 and name H8 ) ( resid 7 and name H4' ) 4.40 4.4 2.6 assign ( resid 7 and name H8 ) ( resid 7 and name H5' ) 3.40 3.4 1.6 assign ( resid 7 and name H8 ) ( resid 7 and name H5'') 3.40 3.4 1.6 assign ( resid 8 and name H8 ) ( resid 8 and name H1' ) 3.40 3.4 1.6 assign ( resid 8 and name H8 ) ( resid 8 and name H2'') 3.40 3.4 1.6 assign ( resid 8 and name H8 ) ( resid 8 and name H3' ) 3.40 3.4 1.6 assign ( resid 8 and name H8 ) ( resid 8 and name H4' ) 3.40 3.4 1.6 assign ( resid 8 and name H8 ) ( resid 8 and name H5' ) 3.40 3.4 1.6 assign ( resid 8 and name H8 ) ( resid 8 and name H5'') 3.40 3.4 1.6 assign ( resid 9 and name H8 ) ( resid 9 and name H1' ) 3.40 3.4 1.6 assign ( resid 9 and name H8 ) ( resid 9 and name H2'') 3.40 3.4 1.6 assign ( resid 9 and name H8 ) ( resid 9 and name H3' ) 3.40 3.4 1.6 assign ( resid 9 and name H8 ) ( resid 9 and name H4' ) 4.40 4.4 2.6 assign ( resid 9 and name H8 ) ( resid 9 and name H5' ) 3.40 3.4 1.6 assign ( resid 9 and name H8 ) ( resid 9 and name H5'') 3.40 3.4 1.6 ! assign ( resid 10 and name H8 ) ( resid 10 and name H1' ) 3.40 3.4 1.6 assign ( resid 10 and name H8 ) ( resid 10 and name H2'') 2.90 2.9 1.1 assign ( resid 10 and name H8 ) ( resid 10 and name H3' ) 2.90 2.9 1.1 assign ( resid 10 and name H8 ) ( resid 10 and name H4' ) 3.40 3.4 1.6 assign ( resid 10 and name H8 ) ( resid 10 and name H5' ) 3.40 3.4 1.6 assign ( resid 10 and name H8 ) ( resid 10 and name H5'') 3.40 3.4 1.6 assign ( resid 11 and name H6 ) ( resid 11 and name H1' ) 3.40 3.4 1.6 assign ( resid 11 and name H6 ) ( resid 11 and name H2'') 2.40 2.4 0.6 assign ( resid 11 and name H6 ) ( resid 11 and name H3' ) 2.90 2.9 1.1 assign ( resid 11 and name H6 ) ( resid 11 and name H4' ) 3.90 3.9 2.1 assign ( resid 11 and name H6 ) ( resid 11 and name H5' ) 3.40 3.4 1.6 assign ( resid 11 and name H6 ) ( resid 11 and name H5'') 3.40 3.4 1.6 assign ( resid 12 and name H6 ) ( resid 12 and name H1' ) 2.90 2.9 1.1 assign ( resid 12 and name H6 ) ( resid 12 and name H2'') 2.40 2.4 0.6 assign ( resid 12 and name H6 ) ( resid 12 and name H3' ) 3.40 3.4 1.6 assign ( resid 12 and name H6 ) ( resid 12 and name H4' ) 3.40 3.4 1.6 assign ( resid 12 and name H6 ) ( resid 12 and name H5' ) 3.90 3.9 2.1 assign ( resid 12 and name H6 ) ( resid 12 and name H5'') 3.90 3.9 2.1 assign ( resid 13 and name H8 ) ( resid 13 and name H1' ) 2.90 2.9 1.1 assign ( resid 13 and name H8 ) ( resid 13 and name H2'') 2.40 2.4 0.6 assign ( resid 13 and name H8 ) ( resid 13 and name H3' ) 3.40 3.4 1.6 assign ( resid 13 and name H8 ) ( resid 13 and name H4' ) 3.90 3.9 2.1 assign ( resid 13 and name H8 ) ( resid 13 and name H5' ) 3.40 3.4 1.6 assign ( resid 13 and name H8 ) ( resid 13 and name H5'') 3.40 3.4 1.6 ! assign ( resid 14 and name H6 ) ( resid 14 and name H1' ) 3.40 3.4 1.6 assign ( resid 14 and name H6 ) ( resid 14 and name H2'') 4.40 4.4 2.6 assign ( resid 14 and name H6 ) ( resid 14 and name H3' ) 4.40 4.4 2.6 assign ( resid 14 and name H6 ) ( resid 14 and name H4' ) 3.40 3.4 1.6 assign ( resid 14 and name H6 ) ( resid 14 and name H5' ) 2.90 2.9 1.1 assign ( resid 14 and name H6 ) ( resid 14 and name H5'') 2.90 2.9 1.1 assign ( resid 15 and name H6 ) ( resid 15 and name H1' ) 3.40 3.4 1.6 assign ( resid 15 and name H6 ) ( resid 15 and name H2'') 2.90 2.9 1.1 assign ( resid 15 and name H6 ) ( resid 15 and name H3' ) 2.90 2.9 1.1 assign ( resid 15 and name H6 ) ( resid 15 and name H4' ) 3.40 3.4 1.6 assign ( resid 15 and name H6 ) ( resid 15 and name H5'') 3.40 3.4 1.6 assign ( resid 16 and name H6 ) ( resid 16 and name H1' ) 3.90 3.9 2.1 assign ( resid 16 and name H6 ) ( resid 16 and name H2'') 2.90 2.9 1.1 assign ( resid 16 and name H6 ) ( resid 16 and name H3' ) 2.90 2.9 1.1 assign ( resid 16 and name H6 ) ( resid 16 and name H5' ) 4.40 4.4 2.6 assign ( resid 16 and name H6 ) ( resid 16 and name H5'') 4.40 4.4 2.6 assign ( resid 17 and name H8 ) ( resid 17 and name H1' ) 3.40 3.4 1.6 assign ( resid 17 and name H8 ) ( resid 17 and name H2'') 2.90 2.9 1.1 assign ( resid 17 and name H8 ) ( resid 17 and name H3' ) 2.90 2.9 1.1 assign ( resid 17 and name H8 ) ( resid 17 and name H4' ) 3.40 3.4 1.6 assign ( resid 17 and name H8 ) ( resid 17 and name H5' ) 4.40 4.4 2.6 assign ( resid 17 and name H8 ) ( resid 17 and name H5'') 3.40 3.4 1.6 assign ( resid 18 and name H6 ) ( resid 18 and name H1' ) 3.40 3.4 1.6 assign ( resid 18 and name H6 ) ( resid 18 and name H2'') 2.90 2.9 1.1 assign ( resid 18 and name H6 ) ( resid 18 and name H3' ) 2.90 2.9 1.1 assign ( resid 18 and name H6 ) ( resid 18 and name H4' ) 3.40 3.4 1.6 assign ( resid 18 and name H6 ) ( resid 18 and name H5' ) 4.40 4.4 2.6 assign ( resid 18 and name H6 ) ( resid 18 and name H5'') 3.40 3.4 1.6 assign ( resid 19 and name H8 ) ( resid 19 and name H1' ) 3.40 3.4 1.6 assign ( resid 19 and name H8 ) ( resid 19 and name H2'') 4.40 4.4 2.6 assign ( resid 19 and name H8 ) ( resid 19 and name H3' ) 3.40 3.4 1.6 assign ( resid 19 and name H8 ) ( resid 19 and name H5' ) 4.40 4.4 2.6 assign ( resid 19 and name H8 ) ( resid 19 and name H5'') 3.40 3.4 1.6 assign ( resid 20 and name H6 ) ( resid 20 and name H1' ) 3.40 3.4 1.6 assign ( resid 20 and name H6 ) ( resid 20 and name H2'') 3.40 3.4 1.6 assign ( resid 20 and name H6 ) ( resid 20 and name H3' ) 3.40 3.4 1.6 assign ( resid 20 and name H6 ) ( resid 20 and name H4' ) 3.40 3.4 1.6 assign ( resid 20 and name H6 ) ( resid 20 and name H5'') 3.40 3.4 1.6 assign ( resid 21 and name H6 ) ( resid 21 and name H1' ) 3.40 3.4 1.6 assign ( resid 21 and name H6 ) ( resid 21 and name H2'') 3.40 3.4 1.6 assign ( resid 21 and name H6 ) ( resid 21 and name H3' ) 3.40 3.4 1.6 assign ( resid 21 and name H6 ) ( resid 21 and name H5' ) 3.40 3.4 1.6 ! ! noes involving the H2s ! assign ( resid 7 and name H2 ) ( resid 7 and name H1' ) 4.40 4.4 2.6 assign ( resid 7 and name H2 ) ( resid 7 and name H2'') 4.40 4.4 2.6 assign ( resid 10 and name H2 ) ( resid 10 and name H1' ) 3.90 3.9 2.1 assign ( resid 10 and name H2 ) ( resid 10 and name H2'') 3.40 3.4 1.6 assign ( resid 13 and name H2 ) ( resid 13 and name H1' ) 3.90 3.9 2.1 assign ( resid 13 and name H2 ) ( resid 13 and name H2'') 4.40 4.4 2.6 assign ( resid 13 and name H2 ) ( resid 13 and name H4' ) 4.40 4.4 2.6 assign ( resid 17 and name H2 ) ( resid 17 and name H1' ) 3.90 3.9 2.1 assign ( resid 17 and name H2 ) ( resid 17 and name H2'') 4.40 4.4 2.6 ! ! noes involving the H5s ! assign ( resid 3 and name H5 ) ( resid 3 and name H1' ) 4.40 4.4 2.6 assign ( resid 5 and name H5 ) ( resid 5 and name H1' ) 4.40 4.4 2.6 assign ( resid 5 and name H5 ) ( resid 5 and name H2'') 4.40 4.4 2.6 assign ( resid 5 and name H5 ) ( resid 5 and name H3' ) 4.40 4.4 2.6 assign ( resid 11 and name H5 ) ( resid 11 and name H1' ) 4.40 4.4 2.6 assign ( resid 11 and name H5 ) ( resid 11 and name H2'') 3.90 3.9 2.1 assign ( resid 12 and name H5 ) ( resid 12 and name H2'') 4.40 4.4 2.6 assign ( resid 14 and name H5 ) ( resid 14 and name H1' ) 4.40 4.4 2.6 assign ( resid 14 and name H5 ) ( resid 14 and name H2'') 4.40 4.4 2.6 assign ( resid 14 and name H5 ) ( resid 14 and name H3' ) 4.40 4.4 2.6 assign ( resid 14 and name H5 ) ( resid 14 and name H5' ) 3.90 3.9 2.1 assign ( resid 16 and name H5 ) ( resid 16 and name H2'') 4.40 4.4 2.6 assign ( resid 16 and name H5 ) ( resid 16 and name H3' ) 4.40 4.4 2.6 assign ( resid 16 and name H5 ) ( resid 16 and name H5'') 4.40 4.4 2.6 assign ( resid 18 and name H5 ) ( resid 18 and name H1' ) 4.40 4.4 2.6 assign ( resid 18 and name H5 ) ( resid 18 and name H2'') 3.90 3.9 2.1 assign ( resid 18 and name H5 ) ( resid 18 and name H3' ) 4.40 4.4 2.6 assign ( resid 20 and name H5 ) ( resid 20 and name H1' ) 4.40 4.4 2.6 assign ( resid 20 and name H5 ) ( resid 20 and name H2'') 4.40 4.4 2.6 assign ( resid 20 and name H5 ) ( resid 20 and name H5' ) 4.40 4.4 2.6 assign ( resid 20 and name H5 ) ( resid 20 and name H3' ) 3.90 3.9 2.1 assign ( resid 21 and name H5 ) ( resid 21 and name H1' ) 4.40 4.4 2.6 assign ( resid 21 and name H5 ) ( resid 21 and name H2'') 4.40 4.4 2.6 assign ( resid 21 and name H5 ) ( resid 21 and name H3' ) 3.90 3.9 2.1 assign ( resid 21 and name H5 ) ( resid 21 and name H5' ) 4.40 4.4 2.6 assign ( resid 21 and name H5 ) ( resid 21 and name H5'') 4.40 4.4 2.6 ! ! **************************************************************************** ! ! ! sugar to sugar, inter-residue ! ! ! **************************************************************************** ! assign ( resid 1 and name H1' ) ( resid 2 and name H1' ) 4.40 4.4 2.6 assign ( resid 1 and name H2'') ( resid 2 and name H1' ) 4.40 4.4 2.6 assign ( resid 1 and name H2'') ( resid 2 and name H5' ) 3.90 3.9 2.1 assign ( resid 1 and name H2'') ( resid 2 and name H5'') 3.90 3.9 2.1 assign ( resid 2 and name H2'') ( resid 3 and name H1' ) 3.40 3.4 1.6 assign ( resid 3 and name H1' ) ( resid 4 and name H1' ) 4.40 4.4 2.6 assign ( resid 3 and name H2'') ( resid 4 and name H1' ) 3.40 3.4 1.6 assign ( resid 3 and name H2'') ( resid 4 and name H5' ) 3.40 3.4 1.6 assign ( resid 4 and name H1' ) ( resid 5 and name H1' ) 4.40 4.4 2.6 assign ( resid 4 and name H2'') ( resid 5 and name H1' ) 3.90 3.9 2.1 assign ( resid 4 and name H2'') ( resid 5 and name H4' ) 4.40 4.4 2.6 assign ( resid 4 and name H2'') ( resid 5 and name H5' ) 3.40 3.4 1.6 assign ( resid 5 and name H2'') ( resid 6 and name H1' ) 3.90 3.9 2.1 assign ( resid 5 and name H2'') ( resid 6 and name H3' ) 3.90 3.9 2.1 assign ( resid 5 and name H2'') ( resid 6 and name H4' ) 3.90 3.9 2.1 assign ( resid 5 and name H3' ) ( resid 6 and name H4' ) 4.40 4.4 2.6 assign ( resid 6 and name H1' ) ( resid 7 and name H1' ) 4.40 4.4 2.6 assign ( resid 6 and name H1' ) ( resid 7 and name H3' ) 4.40 4.4 2.6 assign ( resid 6 and name H2'') ( resid 7 and name H1' ) 3.90 3.9 2.1 assign ( resid 6 and name H3' ) ( resid 7 and name H1' ) 4.40 4.4 2.6 !assign ( resid 6 and name H4' ) ( resid 7 and name H3' ) 3.90 3.9 2.1 ! could be to A7 H2'' (this one is wierd..) assign ( resid 7 and name H1' ) ( resid 8 and name H1' ) 4.40 4.4 2.6 assign ( resid 7 and name H2'') ( resid 8 and name H1' ) 3.90 3.9 2.1 assign ( resid 7 and name H2'') ( resid 8 and name H5' ) 3.90 3.9 2.1 assign ( resid 7 and name H2'') ( resid 8 and name H5'') 3.90 3.9 2.1 assign ( resid 8 and name H2'') ( resid 9 and name H1' ) 3.40 3.4 1.6 assign ( resid 8 and name H2'') ( resid 9 and name H5' ) 3.40 3.4 1.6 ! assign ( resid 9 and name H2'') ( resid 10 and name H4' ) 3.90 3.9 2.1 assign ( resid 9 and name H2'') ( resid 10 and name H5' ) 3.40 3.4 1.6 assign ( resid 9 and name H2'') ( resid 10 and name H5'') 3.40 3.4 1.6 assign ( resid 10 and name H1' ) ( resid 11 and name H5' ) 4.40 4.4 2.6 assign ( resid 10 and name H2'') ( resid 11 and name H1' ) 3.90 3.9 2.1 assign ( resid 10 and name H2'') ( resid 11 and name H5' ) 2.90 2.9 1.1 assign ( resid 10 and name H2'') ( resid 11 and name H5'') 3.40 3.4 1.6 assign ( resid 10 and name H3' ) ( resid 11 and name H5' ) 3.40 3.4 1.6 assign ( resid 10 and name H3' ) ( resid 11 and name H5'') 3.40 3.4 1.6 assign ( resid 10 and name H5' ) ( resid 11 and name H5' ) 4.40 4.4 2.6 assign ( resid 10 and name H5'') ( resid 11 and name H5' ) 4.40 4.4 2.6 assign ( resid 11 and name H1' ) ( resid 12 and name H4' ) 3.90 3.9 2.1 assign ( resid 11 and name H1' ) ( resid 12 and name H3' ) 4.40 4.4 2.6 assign ( resid 11 and name H1' ) ( resid 12 and name H5'') 3.90 3.9 2.1 assign ( resid 11 and name H3' ) ( resid 12 and name H4' ) 3.90 3.9 2.1 assign ( resid 11 and name H3' ) ( resid 12 and name H5' ) 3.90 3.9 2.1 assign ( resid 11 and name H3' ) ( resid 12 and name H5'') 3.90 3.9 2.1 assign ( resid 11 and name H4' ) ( resid 12 and name H1' ) 4.40 4.4 2.6 assign ( resid 11 and name H4' ) ( resid 12 and name H3' ) 3.40 3.4 1.6 assign ( resid 11 and name H4' ) ( resid 12 and name H4' ) 3.40 3.4 1.6 assign ( resid 11 and name H4' ) ( resid 12 and name H5' ) 3.40 3.4 1.6 assign ( resid 11 and name H4' ) ( resid 12 and name H5'') 3.40 3.4 1.6 assign ( resid 12 and name H4' ) ( resid 13 and name H1' ) 3.90 3.9 2.1 !assign ( resid 12 and name H4' ) ( resid 13 and name H2'') 4.40 4.4 2.6 ! could be to A13 H3', not sure yet assign ( resid 13 and name H1' ) ( resid 14 and name H1' ) 3.90 3.9 2.1 !assign ( resid 13 and name H1' ) ( resid 14 and name H4' ) 3.90 3.9 2.1 ! could be to U12 H3', not sure yet assign ( resid 13 and name H1' ) ( resid 14 and name H5' ) 4.40 4.4 2.6 assign ( resid 13 and name H2'') ( resid 14 and name H1' ) 4.40 4.4 2.6 assign ( resid 13 and name H2'') ( resid 14 and name H5' ) 3.90 3.9 2.1 !assign ( resid 13 and name H3' ) ( resid 14 and name H4' ) 3.90 3.9 2.1 ! could be to A13 H2'', not sure yet assign ( resid 13 and name H3' ) ( resid 14 and name H5' ) 3.90 3.9 2.1 ! assign ( resid 14 and name H2'') ( resid 15 and name H1' ) 3.90 3.9 2.1 assign ( resid 14 and name H2'') ( resid 15 and name H5' ) 3.90 3.9 2.1 assign ( resid 14 and name H3' ) ( resid 15 and name H5' ) 3.90 3.9 2.1 assign ( resid 15 and name H2'') ( resid 16 and name H1' ) 3.40 3.4 1.6 assign ( resid 16 and name H1' ) ( resid 17 and name H1' ) 4.40 4.4 2.6 assign ( resid 16 and name H2'') ( resid 17 and name H1' ) 3.90 3.9 2.1 assign ( resid 17 and name H1' ) ( resid 18 and name H1' ) 4.40 4.4 2.6 assign ( resid 17 and name H1' ) ( resid 18 and name H4' ) 3.90 3.9 2.1 assign ( resid 17 and name H2'') ( resid 18 and name H1' ) 3.40 3.4 1.6 assign ( resid 17 and name H2'') ( resid 18 and name H5'') 3.40 3.4 1.6 assign ( resid 17 and name H3' ) ( resid 18 and name H5'') 3.90 3.9 2.1 assign ( resid 18 and name H2'') ( resid 19 and name H1' ) 3.40 3.4 1.6 assign ( resid 19 and name H2'') ( resid 20 and name H1' ) 4.40 4.4 2.6 assign ( resid 19 and name H2'') ( resid 20 and name H5' ) 3.90 3.9 2.1 assign ( resid 20 and name H1' ) ( resid 21 and name H4' ) 3.90 3.9 2.1 assign ( resid 20 and name H2'') ( resid 21 and name H1' ) 3.90 3.9 2.1 assign ( resid 20 and name H2'') ( resid 21 and name H5' ) 3.90 3.9 2.1 assign ( resid 20 and name H2'') ( resid 21 and name H5'') 3.90 3.9 2.1 ! ! iminos ! assign ( resid 1 and name H1 ) ( resid 2 and name H1' ) 4.40 4.4 2.6 assign ( resid 1 and name H1 ) ( resid 21 and name H42 ) 2.90 2.9 1.1 assign ( resid 1 and name H1 ) ( resid 21 and name H41 ) 2.90 2.9 1.1 assign ( resid 1 and name H1 ) ( resid 21 and name H5 ) 4.40 4.4 2.6 assign ( resid 1 and name H1 ) ( resid 21 and name H6 ) 4.40 4.4 2.6 ! assign ( resid 2 and name H1 ) ( resid 19 and name H1 ) 3.40 3.4 1.6 assign ( resid 2 and name H1 ) ( resid 20 and name H42 ) 2.90 2.9 1.1 assign ( resid 2 and name H1 ) ( resid 20 and name H41 ) 2.90 2.9 1.1 assign ( resid 2 and name H1 ) ( resid 20 and name H5 ) 3.90 3.9 2.1 assign ( resid 2 and name H1 ) ( resid 20 and name H1' ) 3.90 3.9 2.1 assign ( resid 2 and name H1 ) ( resid 21 and name H42 ) 3.40 3.4 1.6 assign ( resid 2 and name H1 ) ( resid 21 and name H5 ) 3.90 3.9 2.1 assign ( resid 2 and name H1 ) ( resid 21 and name H6 ) 3.90 3.9 2.1 assign ( resid 2 and name H1 ) ( resid 21 and name H1' ) 3.90 3.9 2.1 ! assign ( resid 4 and name H1 ) ( resid 3 and name H42 ) 4.40 4.4 2.6 assign ( resid 4 and name H1 ) ( resid 5 and name H3 ) 4.40 4.4 2.6 assign ( resid 4 and name H1 ) ( resid 5 and name H1' ) 3.90 3.9 2.1 assign ( resid 4 and name H1 ) ( resid 17 and name H61 ) 3.90 3.9 2.1 assign ( resid 4 and name H1 ) ( resid 17 and name H62 ) 4.40 4.4 2.6 assign ( resid 4 and name H1 ) ( resid 17 and name H2 ) 3.90 3.9 2.1 assign ( resid 4 and name H1 ) ( resid 18 and name H3 ) 2.90 2.9 1.1 assign ( resid 4 and name H1 ) ( resid 18 and name H5 ) 4.40 4.4 2.6 assign ( resid 4 and name H1 ) ( resid 18 and name H1' ) 3.90 3.9 2.1 assign ( resid 4 and name H1 ) ( resid 19 and name H1 ) 4.40 4.4 2.6 assign ( resid 4 and name H1 ) ( resid 19 and name H8 ) 4.40 4.4 2.6 assign ( resid 4 and name H1 ) ( resid 19 and name H1' ) 3.90 3.9 2.1 ! assign ( resid 5 and name H3 ) ( resid 4 and name H21 ) 4.40 4.4 2.6 assign ( resid 5 and name H3 ) ( resid 4 and name H22 ) 4.40 4.4 2.6 assign ( resid 5 and name H3 ) ( resid 18 and name H3 ) 4.40 4.4 2.6 assign ( resid 5 and name H3 ) ( resid 17 and name H61 ) 3.40 3.4 1.6 assign ( resid 5 and name H3 ) ( resid 17 and name H62 ) 3.40 3.4 1.6 assign ( resid 5 and name H3 ) ( resid 17 and name H2 ) 2.90 2.9 1.1 ! assign ( resid 9 and name H1 ) ( resid 10 and name H1' ) 4.40 4.4 2.6 assign ( resid 9 and name H1 ) ( resid 14 and name H42 ) 2.90 2.9 1.1 assign ( resid 9 and name H1 ) ( resid 14 and name H41 ) 2.90 2.9 1.1 assign ( resid 9 and name H1 ) ( resid 14 and name H5 ) 4.40 4.4 2.6 assign ( resid 9 and name H1 ) ( resid 15 and name H5 ) 4.40 4.4 2.6 assign ( resid 9 and name H1 ) ( resid 15 and name H6 ) 4.40 4.4 2.6 assign ( resid 9 and name H1 ) ( resid 15 and name H1' ) 4.40 4.4 2.6 ! assign ( resid 18 and name H3 ) ( resid 3 and name H42 ) 4.40 4.4 2.6 assign ( resid 18 and name H3 ) ( resid 4 and name H21 ) 3.40 3.4 1.6 assign ( resid 18 and name H3 ) ( resid 4 and name H22 ) 4.40 4.4 2.6 assign ( resid 18 and name H3 ) ( resid 17 and name H62 ) 3.90 3.9 2.1 assign ( resid 18 and name H3 ) ( resid 17 and name H61 ) 3.90 3.9 2.1 assign ( resid 18 and name H3 ) ( resid 17 and name H2 ) 3.90 3.9 2.1 assign ( resid 18 and name H3 ) ( resid 18 and name H1' ) 3.90 3.9 2.1 assign ( resid 18 and name H3 ) ( resid 19 and name H1 ) 4.40 4.4 2.6 assign ( resid 18 and name H3 ) ( resid 19 and name H1' ) 4.40 4.4 2.6 ! assign ( resid 19 and name H1 ) ( resid 3 and name H42 ) 2.90 2.9 1.1 assign ( resid 19 and name H1 ) ( resid 3 and name H41 ) 2.90 2.9 1.1 assign ( resid 19 and name H1 ) ( resid 4 and name H21 ) 3.90 3.9 2.1 assign ( resid 19 and name H1 ) ( resid 4 and name H22 ) 3.90 3.9 2.1 assign ( resid 19 and name H1 ) ( resid 4 and name H8 ) 3.90 3.9 2.1 assign ( resid 19 and name H1 ) ( resid 4 and name H1' ) 3.90 3.9 2.1 assign ( resid 19 and name H1 ) ( resid 20 and name H42 ) 3.40 3.4 1.6 assign ( resid 19 and name H1 ) ( resid 20 and name H5 ) 3.90 3.9 2.1 assign ( resid 19 and name H1 ) ( resid 20 and name H6 ) 3.90 3.9 2.1 assign ( resid 19 and name H1 ) ( resid 20 and name H1' ) 3.90 3.9 2.1 ! ! aminos ! assign ( resid 14 and name H41 ) ( resid 10 and name H2 ) 3.90 3.9 2.1 assign ( resid 14 and name H42 ) ( resid 10 and name H2 ) 3.90 3.9 2.1 ! assign ( resid 20 and name H41 ) ( resid 21 and name H5 ) 3.90 3.9 2.1 assign ( resid 20 and name H42 ) ( resid 21 and name H5 ) 3.90 3.9 2.1 assign ( resid 20 and name H42 ) ( resid 20 and name H1' ) 4.40 4.4 2.6 !
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