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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2973 |
1d0t   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
! noe constraints for the thio-r17 hairpin ! involving nonexchangeable resonances ! last updated 10.27.98 by jeff s. ! ! ! U11 U12 ! / \ ! A10 A13 the thio-R17 molecule ! \ / ! C9 - G14 these are the constraints i'm using: ! C8 - G15 ! A7 strong 3.0 3.0 0.0 ( 0.0 - 3.0 A ) ! C6 - G16 medium 4.0 4.0 0.0 ( 0.0 - 4.0 A ) ! U5 - A17 weak 5.0 5.0 0.0 ( 0.0 - 5.0 A ) ! A4 - U18 very weak 6.0 6.0 0.0 ( 0.0 - 6.0 A ) ! G3 - C19 extremely weak 7.0 7.0 0.0 ( 0.0 - 7.0 A ) ! G2 - U20 ! G1 - C21 ! 5' 3' ! ! note: i'm only using H5'/H5" constraints if there's both, and i'm using the ! least restrictive of the two. ! ! ************************************************************************ ! ! base to sugar, intra-residue ! ! ************************************************************************ ! assign ( resid 1 and name H8 ) ( resid 1 and name H1' ) 4.0 4.0 0.0 assign ( resid 1 and name H8 ) ( resid 1 and name H2'') 5.0 5.0 0.0 assign ( resid 1 and name H8 ) ( resid 1 and name H3' ) 4.0 4.0 0.0 assign ( resid 1 and name H8 ) ( resid 1 and name H4' ) 5.0 5.0 0.0 assign ( resid 1 and name H8 ) ( resid 1 and name H5' ) 5.0 5.0 0.0 assign ( resid 1 and name H8 ) ( resid 1 and name H5'') 5.0 5.0 0.0 assign ( resid 2 and name H8 ) ( resid 2 and name H1' ) 5.0 5.0 0.0 assign ( resid 2 and name H8 ) ( resid 2 and name H3' ) 5.0 5.0 0.0 assign ( resid 3 and name H8 ) ( resid 3 and name H1' ) 5.0 5.0 0.0 assign ( resid 3 and name H8 ) ( resid 3 and name H2'') 6.0 6.0 0.0 assign ( resid 3 and name H8 ) ( resid 3 and name H3' ) 5.0 5.0 0.0 assign ( resid 4 and name H8 ) ( resid 4 and name H1' ) 5.0 5.0 0.0 assign ( resid 5 and name H6 ) ( resid 5 and name H1' ) 5.0 5.0 0.0 assign ( resid 5 and name H6 ) ( resid 5 and name H2'') 5.0 5.0 0.0 assign ( resid 5 and name H6 ) ( resid 5 and name H3' ) 5.0 5.0 0.0 assign ( resid 6 and name H6 ) ( resid 6 and name H2'') 4.0 4.0 0.0 assign ( resid 6 and name H6 ) ( resid 6 and name H3' ) 5.0 5.0 0.0 assign ( resid 6 and name H6 ) ( resid 6 and name H4' ) 6.0 6.0 0.0 assign ( resid 6 and name H6 ) ( resid 6 and name H5' ) 6.0 6.0 0.0 assign ( resid 6 and name H6 ) ( resid 6 and name H5'') 6.0 6.0 0.0 assign ( resid 7 and name H8 ) ( resid 7 and name H1' ) 5.0 5.0 0.0 assign ( resid 7 and name H8 ) ( resid 7 and name H3' ) 4.0 4.0 0.0 assign ( resid 7 and name H8 ) ( resid 7 and name H4' ) 6.0 6.0 0.0 assign ( resid 7 and name H8 ) ( resid 7 and name H5' ) 5.0 5.0 0.0 assign ( resid 7 and name H8 ) ( resid 7 and name H5'') 5.0 5.0 0.0 assign ( resid 8 and name H6 ) ( resid 8 and name H2'') 4.0 4.0 0.0 assign ( resid 8 and name H6 ) ( resid 8 and name H4' ) 5.0 5.0 0.0 assign ( resid 9 and name H6 ) ( resid 9 and name H1' ) 5.0 5.0 0.0 assign ( resid 9 and name H6 ) ( resid 9 and name H3' ) 5.0 5.0 0.0 assign ( resid 10 and name H8 ) ( resid 10 and name H1' ) 5.0 5.0 0.0 assign ( resid 10 and name H8 ) ( resid 10 and name H2'') 4.0 4.0 0.0 assign ( resid 10 and name H8 ) ( resid 10 and name H3' ) 4.0 4.0 0.0 assign ( resid 10 and name H8 ) ( resid 10 and name H4' ) 5.0 5.0 0.0 assign ( resid 11 and name H6 ) ( resid 11 and name H1' ) 5.0 5.0 0.0 assign ( resid 11 and name H6 ) ( resid 11 and name H2'') 3.0 3.0 0.0 assign ( resid 11 and name H6 ) ( resid 11 and name H3' ) 5.0 5.0 0.0 assign ( resid 11 and name H6 ) ( resid 11 and name H4' ) 5.0 5.0 0.0 assign ( resid 11 and name H6 ) ( resid 11 and name H5' ) 5.0 5.0 0.0 assign ( resid 11 and name H6 ) ( resid 11 and name H5'') 5.0 5.0 0.0 assign ( resid 12 and name H6 ) ( resid 12 and name H1' ) 4.0 4.0 0.0 assign ( resid 12 and name H6 ) ( resid 12 and name H2'') 3.0 3.0 0.0 assign ( resid 12 and name H6 ) ( resid 12 and name H3' ) 5.0 5.0 0.0 assign ( resid 12 and name H6 ) ( resid 12 and name H4' ) 5.0 5.0 0.0 assign ( resid 13 and name H8 ) ( resid 13 and name H1' ) 4.0 4.0 0.0 assign ( resid 13 and name H8 ) ( resid 13 and name H2'') 4.0 4.0 0.0 assign ( resid 13 and name H8 ) ( resid 13 and name H3' ) 4.0 4.0 0.0 assign ( resid 13 and name H8 ) ( resid 13 and name H4' ) 5.0 5.0 0.0 assign ( resid 13 and name H8 ) ( resid 13 and name H5' ) 5.0 5.0 0.0 assign ( resid 13 and name H8 ) ( resid 13 and name H5'') 5.0 5.0 0.0 assign ( resid 14 and name H8 ) ( resid 14 and name H1' ) 5.0 5.0 0.0 assign ( resid 14 and name H8 ) ( resid 14 and name H2'') 5.0 5.0 0.0 assign ( resid 14 and name H8 ) ( resid 14 and name H3' ) 5.0 5.0 0.0 assign ( resid 14 and name H8 ) ( resid 14 and name H4' ) 6.0 6.0 0.0 assign ( resid 14 and name H8 ) ( resid 14 and name H5' ) 5.0 5.0 0.0 assign ( resid 14 and name H8 ) ( resid 14 and name H5'') 5.0 5.0 0.0 assign ( resid 15 and name H8 ) ( resid 15 and name H1' ) 5.0 5.0 0.0 assign ( resid 15 and name H8 ) ( resid 15 and name H2'') 5.0 5.0 0.0 assign ( resid 15 and name H8 ) ( resid 15 and name H3' ) 4.0 4.0 0.0 assign ( resid 15 and name H8 ) ( resid 15 and name H5' ) 5.0 5.0 0.0 assign ( resid 15 and name H8 ) ( resid 15 and name H5'') 5.0 5.0 0.0 assign ( resid 16 and name H8 ) ( resid 16 and name H1' ) 5.0 5.0 0.0 assign ( resid 16 and name H8 ) ( resid 16 and name H2'') 5.0 5.0 0.0 assign ( resid 16 and name H8 ) ( resid 16 and name H3' ) 5.0 5.0 0.0 assign ( resid 17 and name H8 ) ( resid 17 and name H1' ) 5.0 5.0 0.0 assign ( resid 17 and name H8 ) ( resid 17 and name H2'') 5.0 5.0 0.0 assign ( resid 17 and name H8 ) ( resid 17 and name H3' ) 4.0 4.0 0.0 assign ( resid 18 and name H6 ) ( resid 18 and name H1' ) 5.0 5.0 0.0 assign ( resid 18 and name H6 ) ( resid 18 and name H2'') 5.0 5.0 0.0 assign ( resid 18 and name H6 ) ( resid 18 and name H3' ) 5.0 5.0 0.0 assign ( resid 18 and name H6 ) ( resid 18 and name H5' ) 6.0 6.0 0.0 assign ( resid 18 and name H6 ) ( resid 18 and name H5'') 6.0 6.0 0.0 assign ( resid 19 and name H6 ) ( resid 19 and name H1' ) 5.0 5.0 0.0 assign ( resid 19 and name H6 ) ( resid 19 and name H2'') 5.0 5.0 0.0 assign ( resid 19 and name H6 ) ( resid 19 and name H3' ) 4.0 4.0 0.0 assign ( resid 19 and name H6 ) ( resid 19 and name H5' ) 6.0 6.0 0.0 assign ( resid 20 and name H6 ) ( resid 20 and name H1' ) 5.0 5.0 0.0 assign ( resid 20 and name H6 ) ( resid 20 and name H2'') 5.0 5.0 0.0 assign ( resid 20 and name H6 ) ( resid 20 and name H3' ) 4.0 4.0 0.0 assign ( resid 20 and name H6 ) ( resid 20 and name H4' ) 5.0 5.0 0.0 assign ( resid 21 and name H6 ) ( resid 21 and name H1' ) 4.0 4.0 0.0 assign ( resid 21 and name H6 ) ( resid 21 and name H2'') 5.0 5.0 0.0 ! ! H5 ! assign ( resid 5 and name H5 ) ( resid 5 and name H3' ) 7.0 7.0 0.0 assign ( resid 6 and name H5 ) ( resid 6 and name H1' ) 7.0 7.0 0.0 assign ( resid 6 and name H5 ) ( resid 6 and name H3' ) 6.0 6.0 0.0 assign ( resid 9 and name H5 ) ( resid 9 and name H3' ) 7.0 7.0 0.0 assign ( resid 11 and name H5 ) ( resid 11 and name H1' ) 7.0 7.0 0.0 assign ( resid 11 and name H5 ) ( resid 11 and name H2'') 5.0 5.0 0.0 assign ( resid 11 and name H5 ) ( resid 11 and name H3' ) 6.0 6.0 0.0 assign ( resid 12 and name H5 ) ( resid 12 and name H2'') 5.0 5.0 0.0 assign ( resid 18 and name H5 ) ( resid 18 and name H1' ) 6.0 6.0 0.0 assign ( resid 18 and name H5 ) ( resid 18 and name H3' ) 6.0 6.0 0.0 ! ! H2 ! assign ( resid 7 and name H2 ) ( resid 7 and name H1' ) 7.0 7.0 0.0 assign ( resid 10 and name H2 ) ( resid 10 and name H1' ) 6.0 6.0 0.0 assign ( resid 13 and name H2 ) ( resid 13 and name H1' ) 7.0 7.0 0.0 assign ( resid 17 and name H2 ) ( resid 17 and name H1' ) 6.0 6.0 0.0 ! ! ************************************************************************ ! ! base to sugar, inter-residue ! ! ************************************************************************ ! assign ( resid 2 and name H8 ) ( resid 1 and name H1' ) 5.0 5.0 0.0 assign ( resid 2 and name H8 ) ( resid 1 and name H2'') 3.0 3.0 0.0 assign ( resid 2 and name H8 ) ( resid 1 and name H3' ) 5.0 5.0 0.0 assign ( resid 3 and name H8 ) ( resid 2 and name H1' ) 5.0 5.0 0.0 assign ( resid 3 and name H8 ) ( resid 2 and name H2'') 3.0 3.0 0.0 assign ( resid 3 and name H8 ) ( resid 2 and name H3' ) 5.0 5.0 0.0 assign ( resid 4 and name H8 ) ( resid 3 and name H1' ) 5.0 5.0 0.0 assign ( resid 4 and name H8 ) ( resid 3 and name H2'') 3.0 3.0 0.0 assign ( resid 4 and name H8 ) ( resid 3 and name H3' ) 5.0 5.0 0.0 assign ( resid 5 and name H6 ) ( resid 4 and name H1' ) 5.0 5.0 0.0 assign ( resid 5 and name H6 ) ( resid 4 and name H2'') 3.0 3.0 0.0 assign ( resid 6 and name H6 ) ( resid 5 and name H1' ) 5.0 5.0 0.0 assign ( resid 6 and name H6 ) ( resid 5 and name H2'') 3.0 3.0 0.0 assign ( resid 6 and name H6 ) ( resid 5 and name H3' ) 5.0 5.0 0.0 assign ( resid 7 and name H8 ) ( resid 6 and name H1' ) 6.0 6.0 0.0 assign ( resid 7 and name H8 ) ( resid 6 and name H2'') 5.0 5.0 0.0 assign ( resid 7 and name H8 ) ( resid 6 and name H3' ) 7.0 4.0 0.0 ! note: this constraint has been given a lower bound of 3.0 A ! since this pair of atoms is consistently too close in the ! calculations to agree with the NOE data. assign ( resid 8 and name H6 ) ( resid 6 and name H1' ) 5.0 5.0 0.0 assign ( resid 8 and name H6 ) ( resid 6 and name H2'') 4.0 4.0 0.0 assign ( resid 8 and name H6 ) ( resid 6 and name H3' ) 7.0 7.0 0.0 assign ( resid 8 and name H6 ) ( resid 7 and name H1' ) 7.0 4.0 0.0 ! note: this constraint has been given a lower bound of 3.0 A ! since this pair of atoms is consistently too close in the ! calculations to agree with the NOE data. assign ( resid 8 and name H6 ) ( resid 7 and name H3' ) 6.0 6.0 0.0 assign ( resid 10 and name H8 ) ( resid 9 and name H1' ) 5.0 5.0 0.0 assign ( resid 10 and name H8 ) ( resid 9 and name H2'') 4.0 4.0 0.0 assign ( resid 10 and name H8 ) ( resid 9 and name H3' ) 4.0 4.0 0.0 assign ( resid 11 and name H6 ) ( resid 10 and name H1' ) 5.0 5.0 0.0 assign ( resid 11 and name H6 ) ( resid 10 and name H2'') 3.0 3.0 0.0 assign ( resid 11 and name H6 ) ( resid 10 and name H3' ) 5.0 5.0 0.0 assign ( resid 12 and name H6 ) ( resid 11 and name H1' ) 5.0 5.0 0.0 assign ( resid 12 and name H6 ) ( resid 11 and name H4' ) 7.0 7.0 0.0 assign ( resid 12 and name H6 ) ( resid 13 and name H1' ) 7.0 7.0 0.0 assign ( resid 13 and name H8 ) ( resid 11 and name H1' ) 7.0 7.0 0.0 assign ( resid 13 and name H8 ) ( resid 11 and name H4' ) 7.0 7.0 0.0 assign ( resid 13 and name H8 ) ( resid 12 and name H1' ) 7.0 7.0 0.0 assign ( resid 13 and name H8 ) ( resid 12 and name H2'') 5.0 5.0 0.0 assign ( resid 13 and name H8 ) ( resid 12 and name H3' ) 5.0 5.0 0.0 assign ( resid 13 and name H8 ) ( resid 12 and name H4' ) 5.0 5.0 0.0 assign ( resid 13 and name H8 ) ( resid 12 and name H5' ) 7.0 7.0 0.0 assign ( resid 13 and name H8 ) ( resid 12 and name H5'') 7.0 7.0 0.0 ! note: U12 H5' and H5'' are degenerate, but A13 H8 is at least ! 5.0 A close to one of them: hence these 2 constraints. assign ( resid 13 and name H8 ) ( resid 14 and name H1' ) 7.0 7.0 0.0 assign ( resid 14 and name H8 ) ( resid 13 and name H1' ) 6.0 6.0 0.0 assign ( resid 15 and name H8 ) ( resid 14 and name H1' ) 5.0 5.0 0.0 assign ( resid 15 and name H8 ) ( resid 14 and name H2'') 3.0 3.0 0.0 assign ( resid 15 and name H8 ) ( resid 14 and name H3' ) 5.0 5.0 0.0 assign ( resid 16 and name H8 ) ( resid 15 and name H1' ) 5.0 5.0 0.0 assign ( resid 16 and name H8 ) ( resid 15 and name H2'') 3.0 3.0 0.0 assign ( resid 16 and name H8 ) ( resid 15 and name H3' ) 5.0 5.0 0.0 assign ( resid 17 and name H8 ) ( resid 16 and name H1' ) 5.0 5.0 0.0 assign ( resid 17 and name H8 ) ( resid 16 and name H2'') 3.0 3.0 0.0 assign ( resid 17 and name H8 ) ( resid 16 and name H3' ) 4.0 4.0 0.0 assign ( resid 18 and name H6 ) ( resid 17 and name H1' ) 5.0 5.0 0.0 assign ( resid 18 and name H6 ) ( resid 17 and name H2'') 5.0 5.0 0.0 assign ( resid 18 and name H6 ) ( resid 17 and name H3' ) 5.0 5.0 0.0 assign ( resid 19 and name H6 ) ( resid 18 and name H1' ) 5.0 5.0 0.0 assign ( resid 19 and name H6 ) ( resid 18 and name H2'') 3.0 3.0 0.0 assign ( resid 19 and name H6 ) ( resid 18 and name H3' ) 5.0 5.0 0.0 assign ( resid 20 and name H6 ) ( resid 19 and name H1' ) 5.0 5.0 0.0 assign ( resid 20 and name H6 ) ( resid 19 and name H2'') 3.0 3.0 0.0 assign ( resid 20 and name H6 ) ( resid 19 and name H3' ) 4.0 4.0 0.0 assign ( resid 21 and name H6 ) ( resid 20 and name H1' ) 7.0 7.0 0.0 assign ( resid 21 and name H6 ) ( resid 20 and name H2'') 3.0 3.0 0.0 assign ( resid 21 and name H6 ) ( resid 20 and name H3' ) 5.0 5.0 0.0 ! ! H5 ! assign ( resid 5 and name H5 ) ( resid 4 and name H1' ) 7.0 7.0 0.0 assign ( resid 6 and name H5 ) ( resid 5 and name H2'') 5.0 5.0 0.0 assign ( resid 6 and name H5 ) ( resid 5 and name H3' ) 6.0 6.0 0.0 assign ( resid 8 and name H5 ) ( resid 6 and name H1' ) 6.0 6.0 0.0 assign ( resid 8 and name H5 ) ( resid 6 and name H2' ) 5.0 5.0 0.0 assign ( resid 8 and name H5 ) ( resid 6 and name H3' ) 7.0 7.0 0.0 assign ( resid 8 and name H5 ) ( resid 7 and name H1' ) 7.0 4.0 0.0 ! note: this constraint has been given a lower bound of 3.0 A ! since this pair of atoms is consistently too close in the ! calculations to agree with the NOE data. assign ( resid 9 and name H5 ) ( resid 8 and name H2'') 5.0 5.0 0.0 assign ( resid 9 and name H5 ) ( resid 8 and name H3' ) 6.0 6.0 0.0 assign ( resid 11 and name H5 ) ( resid 10 and name H1' ) 7.0 7.0 0.0 assign ( resid 11 and name H5 ) ( resid 10 and name H2'') 5.0 5.0 0.0 assign ( resid 11 and name H5 ) ( resid 10 and name H3' ) 5.0 5.0 0.0 assign ( resid 18 and name H5 ) ( resid 17 and name H1' ) 6.0 6.0 0.0 assign ( resid 20 and name H5 ) ( resid 19 and name H2'') 5.0 5.0 0.0 assign ( resid 20 and name H5 ) ( resid 19 and name H3' ) 6.0 6.0 0.0 ! ! H2 ! assign ( resid 4 and name H2 ) ( resid 5 and name H1' ) 5.0 5.0 0.0 assign ( resid 10 and name H2 ) ( resid 14 and name H1' ) 7.0 7.0 0.0 assign ( resid 13 and name H2 ) ( resid 10 and name H1' ) 7.0 7.0 0.0 assign ( resid 13 and name H2 ) ( resid 11 and name H4' ) 5.0 5.0 0.0 assign ( resid 13 and name H2 ) ( resid 11 and name H5' ) 5.0 5.0 0.0 assign ( resid 13 and name H2 ) ( resid 11 and name H5'') 5.0 5.0 0.0 assign ( resid 13 and name H2 ) ( resid 12 and name H4' ) 7.0 7.0 0.0 assign ( resid 13 and name H2 ) ( resid 13 and name H1' ) 7.0 7.0 0.0 assign ( resid 13 and name H2 ) ( resid 14 and name H1' ) 4.0 4.0 0.0 assign ( resid 17 and name H2 ) ( resid 18 and name H1' ) 4.0 4.0 0.0 ! ! ************************************************************************ ! ! base to base ! ! ************************************************************************ ! assign ( resid 1 and name H8 ) ( resid 2 and name H8 ) 6.0 6.0 0.0 assign ( resid 2 and name H8 ) ( resid 3 and name H8 ) 6.0 6.0 0.0 assign ( resid 3 and name H8 ) ( resid 4 and name H8 ) 6.0 6.0 0.0 assign ( resid 6 and name H6 ) ( resid 7 and name H8 ) 7.0 7.0 0.0 assign ( resid 7 and name H8 ) ( resid 8 and name H6 ) 7.0 7.0 0.0 assign ( resid 9 and name H6 ) ( resid 10 and name H8 ) 6.0 6.0 0.0 assign ( resid 10 and name H8 ) ( resid 11 and name H6 ) 6.0 6.0 0.0 assign ( resid 12 and name H6 ) ( resid 13 and name H8 ) 6.0 6.0 0.0 assign ( resid 13 and name H8 ) ( resid 14 and name H8 ) 6.0 6.0 0.0 assign ( resid 14 and name H8 ) ( resid 15 and name H8 ) 6.0 6.0 0.0 assign ( resid 15 and name H8 ) ( resid 16 and name H8 ) 6.0 6.0 0.0 assign ( resid 16 and name H8 ) ( resid 17 and name H8 ) 6.0 6.0 0.0 assign ( resid 17 and name H8 ) ( resid 18 and name H6 ) 6.0 6.0 0.0 assign ( resid 19 and name H6 ) ( resid 20 and name H6 ) 6.0 6.0 0.0 ! ! H2 ! assign ( resid 17 and name H2 ) ( resid 18 and name H5 ) 7.0 7.0 0.0 ! ! H5 ! assign ( resid 5 and name H5 ) ( resid 4 and name H8 ) 6.0 6.0 0.0 assign ( resid 5 and name H5 ) ( resid 6 and name H5 ) 6.0 6.0 0.0 assign ( resid 6 and name H5 ) ( resid 5 and name H6 ) 7.0 7.0 0.0 assign ( resid 8 and name H5 ) ( resid 9 and name H5 ) 6.0 6.0 0.0 assign ( resid 9 and name H5 ) ( resid 10 and name H8 ) 5.0 5.0 0.0 assign ( resid 11 and name H5 ) ( resid 10 and name H8 ) 5.0 5.0 0.0 assign ( resid 18 and name H5 ) ( resid 17 and name H8 ) 6.0 6.0 0.0 assign ( resid 18 and name H5 ) ( resid 19 and name H6 ) 6.0 6.0 0.0 assign ( resid 20 and name H5 ) ( resid 19 and name H6 ) 6.0 6.0 0.0 ! ! ************************************************************************ ! ! sugar to sugar, inter-residue ! ! ************************************************************************ ! assign ( resid 6 and name H2'') ( resid 7 and name H4' ) 6.0 6.0 0.0 ! this is from the 2D 320ms filtered NOESY assign ( resid 10 and name H2'') ( resid 11 and name H4' ) 7.0 7.0 0.0 assign ( resid 10 and name H2'') ( resid 11 and name H5' ) 6.0 6.0 0.0 assign ( resid 10 and name H2'') ( resid 11 and name H5'') 6.0 6.0 0.0 assign ( resid 11 and name H4' ) ( resid 12 and name H4' ) 7.0 7.0 0.0 assign ( resid 11 and name H4' ) ( resid 12 and name H5' ) 7.0 7.0 0.0 assign ( resid 11 and name H4' ) ( resid 12 and name H5'') 7.0 7.0 0.0 ! note: U12 H5' and H5'' are degenerate, but A13 H8 is at least ! 5.0 A close to one of them: hence these 2 constraints. assign ( resid 13 and name H1' ) ( resid 14 and name H1' ) 6.0 6.0 0.0 assign ( resid 14 and name H1' ) ( resid 15 and name H1' ) 6.0 6.0 0.0 assign ( resid 15 and name H2'') ( resid 16 and name H1' ) 5.0 5.0 0.0 assign ( resid 16 and name H2'') ( resid 17 and name H1' ) 6.0 6.0 0.0 assign ( resid 17 and name H1' ) ( resid 18 and name H1' ) 7.0 7.0 0.0 ! ! ***************************************************************************** ! ! exchangeable resonances ! ! ***************************************************************************** ! ! iminos ! assign ( resid 2 and name H1 ) ( resid 2 and name H1' ) 7.0 7.0 0.0 assign ( resid 2 and name H1 ) ( resid 3 and name H1 ) 6.0 6.0 0.0 assign ( resid 2 and name H1 ) ( resid 3 and name H8 ) 6.0 6.0 0.0 assign ( resid 2 and name H1 ) ( resid 3 and name H1' ) 6.0 6.0 0.0 assign ( resid 2 and name H1 ) ( resid 20 and name H3 ) 3.0 3.0 0.0 assign ( resid 2 and name H1 ) ( resid 21 and name H5 ) 6.0 6.0 0.0 assign ( resid 2 and name H1 ) ( resid 21 and name H6 ) 6.0 6.0 0.0 ! assign ( resid 3 and name H1 ) ( resid 3 and name H1' ) 6.0 6.0 0.0 assign ( resid 3 and name H1 ) ( resid 4 and name H8 ) 6.0 6.0 0.0 assign ( resid 3 and name H1 ) ( resid 4 and name H1' ) 6.0 6.0 0.0 assign ( resid 3 and name H1 ) ( resid 18 and name H3 ) 6.0 6.0 0.0 assign ( resid 3 and name H1 ) ( resid 20 and name H3 ) 6.0 6.0 0.0 assign ( resid 3 and name H1 ) ( resid 20 and name H6 ) 6.0 6.0 0.0 assign ( resid 3 and name H1 ) ( resid 20 and name H1' ) 6.0 6.0 0.0 ! assign ( resid 5 and name H3 ) ( resid 5 and name H1' ) 6.0 6.0 0.0 assign ( resid 5 and name H3 ) ( resid 6 and name H5 ) 6.0 6.0 0.0 assign ( resid 5 and name H3 ) ( resid 6 and name H1' ) 6.0 6.0 0.0 assign ( resid 5 and name H3 ) ( resid 16 and name H1 ) 6.0 6.0 0.0 assign ( resid 5 and name H3 ) ( resid 17 and name H2 ) 3.0 3.0 0.0 assign ( resid 5 and name H3 ) ( resid 18 and name H3 ) 5.0 5.0 0.0 ! assign ( resid 14 and name H1 ) ( resid 9 and name H5 ) 6.0 6.0 0.0 assign ( resid 14 and name H1 ) ( resid 9 and name H1' ) 6.0 6.0 0.0 assign ( resid 14 and name H1 ) ( resid 10 and name H2 ) 6.0 6.0 0.0 assign ( resid 14 and name H1 ) ( resid 10 and name H8 ) 6.0 6.0 0.0 assign ( resid 14 and name H1 ) ( resid 10 and name H1' ) 6.0 6.0 0.0 assign ( resid 14 and name H1 ) ( resid 13 and name H2 ) 6.0 6.0 0.0 assign ( resid 14 and name H1 ) ( resid 15 and name H1 ) 6.0 6.0 0.0 assign ( resid 14 and name H1 ) ( resid 15 and name H8 ) 6.0 6.0 0.0 assign ( resid 14 and name H1 ) ( resid 15 and name H1' ) 6.0 6.0 0.0 ! assign ( resid 15 and name H1 ) ( resid 7 and name H2 ) 6.0 6.0 0.0 assign ( resid 15 and name H1 ) ( resid 9 and name H5 ) 6.0 6.0 0.0 assign ( resid 15 and name H1 ) ( resid 9 and name H1' ) 6.0 6.0 0.0 assign ( resid 15 and name H1 ) ( resid 16 and name H1 ) 6.0 6.0 0.0 assign ( resid 15 and name H1 ) ( resid 16 and name H8 ) 6.0 6.0 0.0 assign ( resid 15 and name H1 ) ( resid 16 and name H1' ) 6.0 6.0 0.0 ! assign ( resid 16 and name H1 ) ( resid 6 and name H5 ) 6.0 6.0 0.0 assign ( resid 16 and name H1 ) ( resid 8 and name H6 ) 6.0 6.0 0.0 assign ( resid 16 and name H1 ) ( resid 16 and name H1' ) 6.0 6.0 0.0 assign ( resid 16 and name H1 ) ( resid 17 and name H2 ) 5.0 5.0 0.0 assign ( resid 16 and name H1 ) ( resid 17 and name H8 ) 6.0 6.0 0.0 assign ( resid 16 and name H1 ) ( resid 17 and name H1' ) 6.0 6.0 0.0 ! assign ( resid 18 and name H3 ) ( resid 4 and name H2 ) 3.0 3.0 0.0 assign ( resid 18 and name H3 ) ( resid 5 and name H5 ) 6.0 6.0 0.0 ! assign ( resid 20 and name H3 ) ( resid 3 and name H1' ) 6.0 6.0 0.0 assign ( resid 20 and name H3 ) ( resid 20 and name H2'') 6.0 6.0 0.0 assign ( resid 20 and name H3 ) ( resid 21 and name H5 ) 5.0 5.0 0.0 assign ( resid 20 and name H3 ) ( resid 21 and name H6 ) 6.0 6.0 0.0 ! ! aminos ! assign ( resid 2 and name H22 ) ( resid 3 and name H8 ) 6.0 6.0 0.0 assign ( resid 2 and name H22 ) ( resid 20 and name H3 ) 5.0 5.0 0.0 assign ( resid 2 and name H22 ) ( resid 21 and name H6 ) 6.0 6.0 0.0 assign ( resid 2 and name H22 ) ( resid 21 and name H1' ) 5.0 5.0 0.0 ! assign ( resid 3 and name H21 ) ( resid 4 and name H1' ) 6.0 6.0 0.0 assign ( resid 3 and name H22 ) ( resid 4 and name H1' ) 6.0 6.0 0.0 assign ( resid 3 and name H21 ) ( resid 20 and name H1' ) 6.0 6.0 0.0 assign ( resid 3 and name H22 ) ( resid 20 and name H1' ) 6.0 6.0 0.0 ! assign ( resid 4 and name H61 ) ( resid 3 and name H1 ) 6.0 6.0 0.0 assign ( resid 4 and name H62 ) ( resid 3 and name H1 ) 6.0 6.0 0.0 assign ( resid 4 and name H61 ) ( resid 18 and name H3 ) 3.0 3.0 0.0 assign ( resid 4 and name H62 ) ( resid 18 and name H3 ) 5.0 5.0 0.0 ! assign ( resid 6 and name H41 ) ( resid 5 and name H3 ) 5.0 5.0 0.0 assign ( resid 6 and name H42 ) ( resid 5 and name H3 ) 5.0 5.0 0.0 assign ( resid 6 and name H42 ) ( resid 5 and name H5 ) 6.0 6.0 0.0 assign ( resid 6 and name H41 ) ( resid 5 and name H6 ) 6.0 6.0 0.0 assign ( resid 6 and name H41 ) ( resid 8 and name H41 ) 6.0 6.0 0.0 assign ( resid 6 and name H42 ) ( resid 8 and name H41 ) 6.0 6.0 0.0 assign ( resid 6 and name H42 ) ( resid 8 and name H42 ) 6.0 6.0 0.0 assign ( resid 6 and name H42 ) ( resid 8 and name H5 ) 6.0 6.0 0.0 assign ( resid 6 and name H42 ) ( resid 8 and name H6 ) 7.0 7.0 0.0 assign ( resid 6 and name H42 ) ( resid 15 and name H1 ) 6.0 6.0 0.0 assign ( resid 6 and name H41 ) ( resid 16 and name H1 ) 5.0 5.0 0.0 assign ( resid 6 and name H42 ) ( resid 16 and name H1 ) 3.0 3.0 0.0 ! assign ( resid 8 and name H41 ) ( resid 6 and name H5 ) 7.0 7.0 0.0 assign ( resid 8 and name H42 ) ( resid 9 and name H41 ) 6.0 6.0 0.0 assign ( resid 8 and name H42 ) ( resid 9 and name H42 ) 6.0 6.0 0.0 assign ( resid 8 and name H41 ) ( resid 9 and name H42 ) 6.0 6.0 0.0 assign ( resid 8 and name H41 ) ( resid 14 and name H1 ) 6.0 6.0 0.0 assign ( resid 8 and name H42 ) ( resid 14 and name H1 ) 6.0 6.0 0.0 assign ( resid 8 and name H41 ) ( resid 15 and name H1 ) 5.0 5.0 0.0 assign ( resid 8 and name H42 ) ( resid 15 and name H1 ) 3.0 3.0 0.0 assign ( resid 8 and name H41 ) ( resid 16 and name H1 ) 6.0 6.0 0.0 assign ( resid 8 and name H42 ) ( resid 16 and name H1 ) 6.0 6.0 0.0 ! assign ( resid 9 and name H41 ) ( resid 10 and name H61 ) 6.0 6.0 0.0 assign ( resid 9 and name H42 ) ( resid 10 and name H61 ) 6.0 6.0 0.0 assign ( resid 9 and name H41 ) ( resid 10 and name H2 ) 6.0 6.0 0.0 assign ( resid 9 and name H41 ) ( resid 14 and name H1 ) 5.0 5.0 0.0 assign ( resid 9 and name H42 ) ( resid 14 and name H1 ) 3.0 3.0 0.0 assign ( resid 9 and name H41 ) ( resid 15 and name H1 ) 6.0 6.0 0.0 assign ( resid 9 and name H42 ) ( resid 15 and name H1 ) 6.0 6.0 0.0 ! assign ( resid 10 and name H61 ) ( resid 14 and name H1 ) 6.0 6.0 0.0 ! assign ( resid 13 and name H61 ) ( resid 10 and name H2 ) 5.0 5.0 0.0 ! assign ( resid 19 and name H41 ) ( resid 18 and name H3 ) 5.0 5.0 0.0 assign ( resid 19 and name H42 ) ( resid 18 and name H3 ) 5.0 5.0 0.0 assign ( resid 19 and name H41 ) ( resid 18 and name H6 ) 6.0 6.0 0.0 assign ( resid 19 and name H41 ) ( resid 3 and name H1 ) 5.0 5.0 0.0 assign ( resid 19 and name H42 ) ( resid 3 and name H1 ) 3.0 3.0 0.0 ! !
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