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 |
|
|
655356 |
7bfs   |
34587 | cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
# Restraints file 1: restraints_xplor.txt
!NOE from waterspectrum
!----------------------
assi ( resid 6 and name H3 )( resid 15 and name H2 ) 2.5 0.7 0.7
assi ( resid 16 and name H3 )( resid 5 and name H2 ) 2.5 0.7 0.7
assi ( resid 17 and name H3 )( resid 4 and name H2 ) 2.5 0.7 0.7
assi ( resid 2 and name H1 )( resid 18 and name H1 ) 4.0 2.2 1.0
assi ( resid 17 and name H3 )( resid 18 and name H1 ) 4.0 2.2 1.0
assi ( resid 17 and name H3 )( resid 16 and name H3 ) 4.0 2.2 1.0
assi ( resid 16 and name H3 )( resid 6 and name H3 ) 4.0 2.2 1.0
assi ( resid 14 and name H1 )( resid 6 and name H3 ) 4.0 2.2 1.0
assi ( resid 14 and name H1 )( resid 15 and name H1' ) 5 3.2 2
assi ( resid 18 and name H1 )( resid 19 and name H1' ) 5 3.2 2
assi ( resid 6 and name H3 )( resid 7 and name H1' ) 5 3.2 2
assi ( resid 16 and name H3 )( resid 17 and name H1' ) 5 3.2 2
assi ( resid 18 and name H1 )( resid 3 and name H1' ) 5 3.2 2
assi ( resid 18 and name H1 )( resid 4 and name H1' ) 5 3.2 2
assi ( resid 14 and name H1 )( resid 7 and name H1' ) 5 3.2 2
assi ( resid 2 and name H1 )( resid 19 and name H1' ) 5 3.2 2
assi ( resid 6 and name H3 )( resid 7 and name H5 ) 5 3.2 2
assi ( resid 6 and name H3 )( resid 5 and name H2 ) 4.0 2.2 1.0
assi ( resid 16 and name H3 )( resid 15 and name H2 ) 4.0 2.2 1.0
assi ( resid 16 and name H3 )( resid 4 and name H2 ) 5 3.2 2
assi ( resid 17 and name H3 )( resid 5 and name H2 ) 4.0 2.2 1.0
assi ( resid 14 and name H1 )( resid 15 and name H2 ) 4.0 2.2 1.0
assi ( resid 2 and name H1 )( resid 1 and name H2 ) 4.0 2.2 1.0
assi ( resid 18 and name H1 )( resid 4 and name H2 ) 5 3.2 2
assi ( resid 2 and name H1 )( resid 20 and name C5A ) 5 3.2 2
assi ( resid 16 and name H3 )( resid 17 and name C5A ) 5 3.2 2
assi ( resid 2 and name H1 )( resid 19 and name H41 ) 2.5 0.7 0.7
assi ( resid 18 and name H1 )( resid 3 and name H41 ) 2.5 0.7 0.7
assi ( resid 14 and name H1 )( resid 7 and name H41 ) 2.5 0.7 0.7
assi ( resid 6 and name H3 )( resid 7 and name H41 ) 4.0 2.2 1.0
assi ( resid 18 and name H1 )( resid 19 and name H42 ) 5 3.2 2
assi ( resid 2 and name H1 )( resid 3 and name H42 ) 5 3.2 2
assi ( resid 16 and name H3 )( resid 5 and name H61 ) 4.0 2.2 1.0
assi ( resid 6 and name H3 )( resid 5 and name H61 ) 4.0 2.2 1.0
assi ( resid 2 and name H8 )( resid 3 and name H42 ) 4.0 2.2 1.0
assi ( resid 14 and name H1 )( resid 15 and name H61 ) 4.0 2.2 1.0
assi ( resid 6 and name H3 )( resid 5 and name H61 ) 5 3.2 2
assi ( resid 17 and name H3 )( resid 5 and name H61 ) 5 3.2 2
!INTRARESIDUE
!H5-H6
assi ( resid 3 and name H5 )( resid 3 and name H6 ) 2.5 0.7 0.7 ! 1.67E+05 2.43E+00 H5 1:dC3 H6 1:dC3
assi ( resid 7 and name H6 )( resid 7 and name H5 ) 2.5 0.7 0.7 ! 1.14E+05 2.58E+00 H6 1:dC7 H5 1:dC7
assi ( resid 8 and name H6 )( resid 8 and name H5 ) 2.5 0.7 0.7 ! 1.08E+05 2.61E+00 H6 1:dC8 H5 1:dC8
assi ( resid 9 and name H6 )( resid 9 and name H5 ) 2.5 0.7 0.7 ! 1.53E+05 2.46E+00 H6 1:dC9 H5 1:dC9
assi ( resid 10 and name H6 )( resid 10 and name H5 ) 2.5 0.7 0.7 ! 1.56E+05 2.45E+00 H6 1:dC10 H5 1:dC10
assi ( resid 11 and name H5 )( resid 11 and name H6 ) 3.2 1.2 0.8 ! 1.67E+04 3.56E+00 H5 1:dC11 H6 1:dC11
assi ( resid 12 and name H5 )( resid 12 and name H6 ) 2.5 0.7 0.7 ! 1.36E+05 2.51E+00 H5 1:dC12 H6 1:dC12
assi ( resid 19 and name H5 )( resid 19 and name H6 ) 2.5 0.7 0.7 ! 1.40E+05 2.50E+00 H5 1:dC19 H6 1:dC19
!1'-8/6 (3.9/3.7)
assi ( resid 1 and name H8 )( resid 1 and name H1' ) 3.2 1.2 0.8 ! 8.25E+04 2.73E+00 H8 1:dA1 H1p 1:dA1 (overlap)
assi ( resid 2 and name H8 )( resid 2 and name H1' ) 3.2 1.2 0.8 ! 2.38E+04 3.36E+00 H8 1:dG2 H1p 1:dG2
assi ( resid 3 and name H6 )( resid 3 and name H1' ) 3.2 1.2 0.8 ! 1.57E+04 3.60E+00 H6 1:dC3 H1p 1:dC3
assi ( resid 4 and name H8 )( resid 4 and name H1' ) 3.2 1.2 0.8 ! 2.14E+04 3.42E+00 H8 1:dA4 H1p 1:dA4
assi ( resid 5 and name H8 )( resid 5 and name H1' ) 3.2 1.2 0.8 ! 1.95E+04 3.47E+00 H8 1:dA5 H1p 1:dA5
assi ( resid 6 and name H6 )( resid 6 and name H1' ) 3.2 1.2 0.8 ! 1.97E+04 3.46E+00 H6 1:dT6 H1p 1:dT6
assi ( resid 7 and name H6 )( resid 7 and name H1' ) 3.2 1.2 0.8 ! 1.72E+04 3.54E+00 H6 1:dC7 H1p 1:dC7
assi ( resid 8 and name H6 )( resid 8 and name H1' ) 3.2 1.2 0.8 ! 1.81E+04 3.51E+00 H6 1:dC8 H1p 1:dC8
assi ( resid 9 and name H6 )( resid 9 and name H1' ) 3.2 1.2 0.8 ! 1.50E+04 3.62E+00 H6 1:dC9 H1p 1:dC9
assi ( resid 10 and name H1' )( resid 10 and name H6 ) 4.0 2.2 1.0 ! 5.01E+03 4.35E+00 H1p 1:dC10 H6 1:dC10
assi ( resid 11 and name H6 )( resid 11 and name H1' ) 3.2 1.2 0.8 ! 1.61E+05 2.44E+00 H6 1:dC11 H1p 1:dC11 (overlap)
assi ( resid 12 and name H6 )( resid 12 and name H1' ) 3.2 1.2 0.8 ! 1.59E+04 3.59E+00 H6 1:dC12 H1p 1:dC12
assi ( resid 13 and name H8 )( resid 13 and name H1' ) 3.2 1.2 0.8 ! 9.81E+03 3.89E+00 H8 1:dG13 H1p 1:dG13
assi ( resid 14 and name H8 )( resid 14 and name H1' ) 3.2 1.2 0.8 ! 1.62E+04 3.58E+00 H8 1:dG14 H1p 1:dG14
assi ( resid 15 and name H8 )( resid 15 and name H1' ) 3.2 1.2 0.8 ! 1.82E+04 3.51E+00 H8 1:dA15 H1p 1:dA15
assi ( resid 16 and name H6 )( resid 16 and name H1' ) 3.2 1.2 0.8 ! 1.66E+04 3.56E+00 H6 1:dT16 H1p 1:dT16
assi ( resid 17 and name H6 )( resid 17 and name H1' ) 3.2 1.2 0.8 ! 2.08E+04 3.43E+00 H6 1:dT17 H1p 1:dT17
assi ( resid 18 and name H8 )( resid 18 and name H1' ) 3.2 1.2 0.8 ! 2.58E+04 3.31E+00 H8 1:dG18 H1p 1:dG18
assi ( resid 19 and name H6 )( resid 19 and name H1' ) 3.2 1.2 0.8 ! 2.07E+04 3.44E+00 H6 1:dC19 H1p 1:dC19
assi ( resid 20 and name H1' )( resid 20 and name H6 ) 3.2 1.2 0.8 ! 2.49E+04 3.33E+00 H1p 1:dT20 H6 1:dT20
!intraresidue 1'-5 (3.7)
!intraresidue 1'-C5A
!intraresidue 1'-2' -3
assi ( resid 1 and name H2' )( resid 1 and name H1' ) 2.5 0.7 0.7 ! 3.28E+04 3.18E+00 H2p 1:dA1 H1p 1:dA1
assi ( resid 2 and name H2' )( resid 2 and name H1' ) 3.2 1.2 0.8 ! 2.83E+04 3.26E+00 H2p 1:dG2 H1p 1:dG2
assi ( resid 3 and name H2' )( resid 3 and name H1' ) 3.2 1.2 0.8 ! 2.07E+04 3.44E+00 H2p 1:dC3 H1p 1:dC3
assi ( resid 4 and name H2' )( resid 4 and name H1' ) 3.2 1.2 0.8 ! 2.23E+04 3.39E+00 H2p 1:dA4 H1p 1:dA4
assi ( resid 5 and name H2' )( resid 5 and name H1' ) 3.2 1.2 0.8 ! 2.04E+04 3.44E+00 H2p 1:dA5 H1p 1:dA5
assi ( resid 6 and name H2' )( resid 6 and name H1' ) 3.2 1.2 0.8 ! 2.35E+04 3.36E+00 H2p 1:dT6 H1p 1:dT6
assi ( resid 7 and name H2' )( resid 7 and name H1' ) 3.2 1.2 0.8 ! 2.88E+04 3.25E+00 H2p 1:dC7 H1p 1:dC7
assi ( resid 8 and name H2' )( resid 8 and name H1' ) 2.5 0.7 0.7 ! 6.66E+04 2.83E+00 H2p 1:dC8 H1p 1:dC8
assi ( resid 9 and name H1' )( resid 9 and name H3' ) 4.0 2.2 1.0 ! 7.56E+03 4.06E+00 H1p 1:dC9 H3p 1:dC9
assi ( resid 10 and name H2' )( resid 10 and name H1' ) 2.5 0.7 0.7 ! 3.23E+04 3.19E+00 H2p 1:dC10 H1p 1:dC10
assi ( resid 11 and name H2' )( resid 11 and name H1' ) 2.5 0.7 0.7 ! 4.25E+04 3.05E+00 H2p 1:dC11 H1p 1:dC11
assi ( resid 12 and name H2' )( resid 12 and name H1' ) 2.5 0.7 0.7 ! 4.18E+04 3.06E+00 H2p 1:dC12 H1p 1:dC12
assi ( resid 13 and name H2' )( resid 13 and name H1' ) 3.2 1.2 0.8 ! 1.67E+04 3.56E+00 H2p 1:dG13 H1p 1:dG13
assi ( resid 14 and name H2' )( resid 14 and name H1' ) 3.2 1.2 0.8 ! 2.45E+04 3.34E+00 H2p 1:dG14 H1p 1:dG14
assi ( resid 15 and name H2' )( resid 15 and name H1' ) 3.2 1.2 0.8 ! 2.18E+04 3.41E+00 H2p 1:dA15 H1p 1:dA15
assi ( resid 16 and name H2' )( resid 16 and name H1' ) 3.2 1.2 0.8 ! 2.02E+04 3.45E+00 H2p 1:dT16 H1p 1:dT16
assi ( resid 17 and name H2' )( resid 17 and name H1' ) 3.2 1.2 0.8 ! 2.40E+04 3.35E+00 H2p 1:dT17 H1p 1:dT17
assi ( resid 18 and name H2' )( resid 18 and name H1' ) 2.5 0.7 0.7 ! 3.23E+04 3.19E+00 H2p 1:dG18 H1p 1:dG18
assi ( resid 19 and name H2' )( resid 19 and name H1' ) 2.5 0.7 0.7 ! 3.53E+04 3.14E+00 H2p 1:dC19 H1p 1:dC19
assi ( resid 20 and name H2' )( resid 20 and name H1' ) 2.5 0.7 0.7 ! 1.41E+05 2.49E+00 H2p 1:dT20 H1p 1:dT20
!intraresidue 1'-2'' -2.4
assi ( resid 1 and name H2'' )( resid 1 and name H1' ) 2.5 0.7 0.7 ! 4.38E+04 3.03E+00 H2pp 1:dA1 H1p 1:dA1
assi ( resid 2 and name H1' )( resid 2 and name H2'' ) 2.5 0.7 0.7 ! 4.82E+04 2.98E+00 H1p 1:dG2 H2pp 1:dG2
assi ( resid 3 and name H2'' )( resid 3 and name H1' ) 2.5 0.7 0.7 ! 4.84E+04 2.98E+00 H2pp 1:dC3 H1p 1:dC3
assi ( resid 4 and name H2'' )( resid 4 and name H1' ) 2.5 0.7 0.7 ! 3.96E+04 3.08E+00 H2pp 1:dA4 H1p 1:dA4
assi ( resid 5 and name H2'' )( resid 5 and name H1' ) 2.5 0.7 0.7 ! 3.67E+04 3.12E+00 H2pp 1:dA5 H1p 1:dA5
assi ( resid 6 and name H2'' )( resid 6 and name H1' ) 2.5 0.7 0.7 ! 5.49E+04 2.92E+00 H2pp 1:dT6 H1p 1:dT6
assi ( resid 7 and name H2'' )( resid 7 and name H1' ) 2.5 0.7 0.7 ! 6.04E+04 2.87E+00 H2pp 1:dC7 H1p 1:dC7
assi ( resid 8 and name H1' )( resid 8 and name H2'' ) 4.0 2.2 1.0 ! 4.79E+03 4.38E+00 H1p 1:dC8 H2pp 1:dC8
assi ( resid 9 and name H2'' )( resid 9 and name H1' ) 2.5 0.7 0.7 ! 3.64E+04 3.13E+00 H2pp 1:dC9 H1p 1:dC9
assi ( resid 10 and name H2'' )( resid 10 and name H1' ) 2.5 0.7 0.7 ! 7.94E+04 2.75E+00 H2pp 1:dC10 H1p 1:dC10
assi ( resid 11 and name H2'' )( resid 11 and name H1' ) 2.5 0.7 0.7 ! 3.44E+04 3.16E+00 H2pp 1:dC11 H1p 1:dC11
assi ( resid 12 and name H2'' )( resid 12 and name H1' ) 2.5 0.7 0.7 ! 7.35E+04 2.78E+00 H2pp 1:dC12 H1p 1:dC12
assi ( resid 13 and name H2'' )( resid 13 and name H1' ) 2.5 0.7 0.7 ! 3.21E+04 3.19E+00 H2pp 1:dG13 H1p 1:dG13
assi ( resid 14 and name H2'' )( resid 14 and name H1' ) 2.5 0.7 0.7 ! 3.87E+04 3.09E+00 H2pp 1:dG14 H1p 1:dG14
assi ( resid 15 and name H2'' )( resid 15 and name H1' ) 2.5 0.7 0.7 ! 3.68E+04 3.12E+00 H2pp 1:dA15 H1p 1:dA15
assi ( resid 17 and name H2'' )( resid 17 and name H1' ) 2.5 0.7 0.7 ! 6.38E+04 2.85E+00 H2pp 1:dT17 H1p 1:dT17
assi ( resid 18 and name H2'' )( resid 18 and name H1' ) 2.5 0.7 0.7 ! 4.08E+04 3.07E+00 H2pp 1:dG18 H1p 1:dG18
assi ( resid 19 and name H2'' )( resid 19 and name H1' ) 2.5 0.7 0.7 ! 8.00E+04 2.74E+00 H2pp 1:dC19 H1p 1:dC19
!intraresidue 1'-3' -3.9 (one side affected by watersuppr)
assi ( resid 1 and name H3' )( resid 1 and name H1' ) 3.2 1.2 0.8 ! 1.34E+04 3.69E+00 H3p 1:dA1 H1p 1:dA1
assi ( resid 2 and name H3' )( resid 2 and name H1' ) 3.2 1.2 0.8 ! 1.41E+04 3.66E+00 H3p 1:dG2 H1p 1:dG2
assi ( resid 3 and name H3' )( resid 3 and name H1' ) 3.2 1.2 0.8 ! 1.36E+04 3.68E+00 H3p 1:dC3 H1p 1:dC3
assi ( resid 4 and name H3' )( resid 4 and name H1' ) 3.2 1.2 0.8 ! 1.83E+04 3.51E+00 H3p 1:dA4 H1p 1:dA4
assi ( resid 5 and name H3' )( resid 5 and name H1' ) 3.2 1.2 0.8 ! 1.49E+04 3.63E+00 H3p 1:dA5 H1p 1:dA5
assi ( resid 6 and name H3' )( resid 6 and name H1' ) 3.2 1.2 0.8 ! 1.73E+04 3.54E+00 H3p 1:dT6 H1p 1:dT6
assi ( resid 7 and name H3' )( resid 7 and name H1' ) 3.2 1.2 0.8 ! 1.30E+04 3.71E+00 H3p 1:dC7 H1p 1:dC7
assi ( resid 8 and name H3' )( resid 8 and name H1' ) 3.2 1.2 0.8 ! 1.25E+04 3.74E+00 H3p 1:dC8 H1p 1:dC8
assi ( resid 9 and name H3' )( resid 9 and name H1' ) 3.2 1.2 0.8 ! 2.21E+04 3.40E+00 H3p 1:dC9 H1p 1:dC9
assi ( resid 10 and name H3' )( resid 10 and name H1' ) 3.2 1.2 0.8 ! 1.90E+04 3.48E+00 H3p 1:dC10 H1p 1:dC10
assi ( resid 11 and name H3' )( resid 11 and name H1' ) 3.2 1.2 0.8 ! 1.84E+04 3.50E+00 H3p 1:dC11 H1p 1:dC11
assi ( resid 12 and name H3' )( resid 12 and name H1' ) 3.2 1.2 0.8 ! 1.89E+04 3.49E+00 H3p 1:dC12 H1p 1:dC12
assi ( resid 13 and name H3' )( resid 13 and name H1' ) 3.2 1.2 0.8 ! 1.16E+04 3.78E+00 H3p 1:dG13 H1p 1:dG13
assi ( resid 14 and name H3' )( resid 14 and name H1' ) 3.2 1.2 0.8 ! 2.09E+04 3.43E+00 H3p 1:dG14 H1p 1:dG14
assi ( resid 15 and name H3' )( resid 15 and name H1' ) 3.2 1.2 0.8 ! 1.42E+04 3.66E+00 H3p 1:dA15 H1p 1:dA15
assi ( resid 16 and name H1' )( resid 16 and name H3' ) 4.5 2.7 2.0 ! 2.27E+03 4.97E+00 H1p 1:dT16 H3p 1:dT16
assi ( resid 17 and name H3' )( resid 17 and name H1' ) 3.2 1.2 0.8 ! 1.54E+04 3.61E+00 H3p 1:dT17 H1p 1:dT17
assi ( resid 18 and name H3' )( resid 18 and name H1' ) 3.2 1.2 0.8 ! 1.84E+04 3.50E+00 H3p 1:dG18 H1p 1:dG18
assi ( resid 19 and name H3' )( resid 19 and name H1' ) 3.2 1.2 0.8 ! 1.53E+04 3.61E+00 H3p 1:dC19 H1p 1:dC19
assi ( resid 20 and name H1' )( resid 20 and name H3' ) 3.2 1.2 0.8 ! 1.05E+04 3.85E+00 H1p 1:dT20 H3p 1:dT20
!intraresidue 1'-4' -3.6
assi ( resid 2 and name H1' )( resid 2 and name H4' ) 3.2 1.2 0.8 ! 2.84E+04 3.26E+00 H1p 1:dG2 H4p 1:dG2
assi ( resid 3 and name H4' )( resid 3 and name H1' ) 3.2 1.2 0.8 ! 4.67E+04 3.00E+00 H4p 1:dC3 H1p 1:dC3 (overlap)
assi ( resid 4 and name H4' )( resid 4 and name H1' ) 3.2 1.2 0.8 ! 2.92E+04 3.24E+00 H4p 1:dA4 H1p 1:dA4
assi ( resid 5 and name H4' )( resid 5 and name H1' ) 2.5 0.7 0.7 ! 3.40E+04 3.16E+00 H4p 1:dA5 H1p 1:dA5
assi ( resid 6 and name H4' )( resid 6 and name H1' ) 2.5 0.7 0.7 ! 6.65E+04 2.83E+00 H4p 1:dT6 H1p 1:dT6
assi ( resid 7 and name H4' )( resid 7 and name H1' ) 3.2 1.2 0.8 ! 5.01E+04 2.96E+00 H4p 1:dC7 H1p 1:dC7 (overlap)
assi ( resid 8 and name H4' )( resid 8 and name H1' ) 2.5 0.7 0.7 ! 3.40E+04 3.16E+00 H4p 1:dC8 H1p 1:dC8
assi ( resid 11 and name H4' )( resid 11 and name H1' ) 3.2 1.2 0.8 ! 2.64E+04 3.30E+00 H4p 1:dC11 H1p 1:dC11
assi ( resid 12 and name H4' )( resid 12 and name H1' ) 3.2 1.2 0.8 ! 2.40E+04 3.35E+00 H4p 1:dC12 H1p 1:dC12
assi ( resid 13 and name H4' )( resid 13 and name H1' ) 3.2 1.2 0.8 ! 2.05E+04 3.44E+00 H4p 1:dG13 H1p 1:dG13
assi ( resid 14 and name H4' )( resid 14 and name H1' ) 3.2 1.2 0.8 ! 1.69E+04 3.55E+00 H4p 1:dG14 H1p 1:dG14
assi ( resid 15 and name H4' )( resid 15 and name H1' ) 3.2 1.2 0.8 ! 1.32E+04 3.70E+00 H4p 1:dA15 H1p 1:dA15
assi ( resid 16 and name H4' )( resid 16 and name H1' ) 3.2 1.2 0.8 ! 5.69E+04 2.90E+00 H4p 1:dT16 H1p 1:dT16(overlap)
assi ( resid 17 and name H4' )( resid 17 and name H1' ) 3.2 1.2 0.8 ! 5.58E+04 2.91E+00 H4p 1:dT17 H1p 1:dT17 (overlap)
assi ( resid 19 and name H4' )( resid 19 and name H1' ) 3.2 1.2 0.8 ! 5.63E+04 2.91E+00 H4p 1:dC19 H1p 1:dC19 (overlap)
assi ( resid 20 and name H1' )( resid 20 and name H4' ) 3.2 1.2 0.8 ! 3.55E+04 3.14E+00 H1p 1:dT20 H4p 1:dT20 (overlap)
!intraresidue 2'-8/6 (2.2/ 1.9)
assi ( resid 1 and name H8 )( resid 1 and name H2' ) 2.5 0.7 0.7 ! 7.23E+04 2.79E+00 H8 1:dA1 H2p 1:dA1
assi ( resid 2 and name H8 )( resid 2 and name H2' ) 2.5 0.7 0.7 ! 1.20E+05 2.56E+00 H8 1:dG2 H2p 1:dG2
assi ( resid 3 and name H6 )( resid 3 and name H2' ) 2.5 0.7 0.7 ! 7.69E+04 2.76E+00 H6 1:dC3 H2p 1:dC3
assi ( resid 4 and name H8 )( resid 4 and name H2' ) 2.5 0.7 0.7 ! 1.14E+05 2.58E+00 H8 1:dA4 H2p 1:dA4
assi ( resid 5 and name H8 )( resid 5 and name H2' ) 2.5 0.7 0.7 ! 7.04E+04 2.80E+00 H8 1:dA5 H2p 1:dA5
assi ( resid 6 and name H6 )( resid 6 and name H2' ) 2.5 0.7 0.7 ! 7.47E+04 2.77E+00 H6 1:dT6 H2p 1:dT6
assi ( resid 7 and name H6 )( resid 7 and name H2' ) 2.5 0.7 0.7 ! 7.42E+04 2.78E+00 H6 1:dC7 H2p 1:dC7
assi ( resid 8 and name H6 )( resid 8 and name H2' ) 2.5 0.7 0.7 ! 1.14E+05 2.58E+00 H6 1:dC8 H2p 1:dC8
assi ( resid 9 and name H6 )( resid 9 and name H2' ) 4.0 2.2 1.0 ! 6.98E+03 4.12E+00 H6 1:dC9 H2p 1:dC9
assi ( resid 10 and name H6 )( resid 10 and name H2' ) 3.2 1.2 0.8 ! 2.52E+04 3.32E+00 H6 1:dC10 H2p 1:dC10
assi ( resid 11 and name H2' )( resid 11 and name H6 ) 4.0 2.2 1.0 ! 7.38E+03 4.08E+00 H2p 1:dC11 H6 1:dC11
assi ( resid 12 and name H2' )( resid 12 and name H6 ) 3.2 1.2 0.8 ! 2.43E+04 3.34E+00 H2p 1:dC12 H6 1:dC12
assi ( resid 13 and name H8 )( resid 13 and name H2' ) 2.5 0.7 0.7 ! 5.91E+04 2.88E+00 H8 1:dG13 H2p 1:dG13
assi ( resid 14 and name H8 )( resid 14 and name H2' ) 2.5 0.7 0.7 ! 1.05E+05 2.62E+00 H8 1:dG14 H2p 1:dG14
assi ( resid 15 and name H8 )( resid 15 and name H2' ) 2.5 0.7 0.7 ! 7.92E+04 2.75E+00 H8 1:dA15 H2p 1:dA15
assi ( resid 16 and name H6 )( resid 16 and name H2' ) 2.5 0.7 0.7 ! 6.02E+04 2.88E+00 H6 1:dT16 H2p 1:dT16
assi ( resid 17 and name H6 )( resid 17 and name H2' ) 2.5 0.7 0.7 ! 8.96E+04 2.69E+00 H6 1:dT17 H2p 1:dT17
assi ( resid 19 and name H2' )( resid 19 and name H6 ) 2.5 0.7 0.7 ! 6.11E+04 2.87E+00 H2p 1:dC19 H6 1:dC19
assi ( resid 20 and name H6 )( resid 20 and name H2' ) 2.5 0.7 0.7 ! 2.01E+05 2.35E+00 H6 1:dT20 H2p 1:dT20
!intraresidue 2'-5 (3.2)
assi ( resid 3 and name H5 )( resid 3 and name H2' ) 3.2 1.2 0.8 ! 1.32E+04 3.70E+00 H5 1:dC3 H2p 1:dC3
assi ( resid 7 and name H5 )( resid 7 and name H2' ) 3.2 1.2 0.8 ! 1.31E+04 3.71E+00 H5 1:dC7 H2p 1:dC7
assi ( resid 8 and name H2' )( resid 8 and name H5 ) 3.2 1.2 0.8 ! 3.00E+04 3.23E+00 H2p 1:dC8 H5 1:dC8
assi ( resid 9 and name H2' )( resid 9 and name H5 ) 4.0 2.2 1.0 ! 7.23E+03 4.09E+00 H2p 1:dC9 H5 1:dC9
assi ( resid 11 and name H5 )( resid 11 and name H2' ) 4.0 2.2 1.0 ! 7.56E+03 4.06E+00 H5 1:dC11 H2p 1:dC11
assi ( resid 12 and name H2' )( resid 12 and name H5 ) 4.0 2.2 1.0 ! 4.65E+03 4.41E+00 H2p 1:dC12 H5 1:dC12
assi ( resid 19 and name H2' )( resid 19 and name H5 ) 4.0 2.2 1.0 ! 7.57E+03 4.06E+00 H2p 1:dC19 H5 1:dC19
!intraresidue 2'-3' -2.4 (effect watersuppression, 3.1 xylo)
assi ( resid 1 and name H3' )( resid 1 and name H2' ) 2.5 0.7 0.7 ! 9.07E+04 2.69E+00 H3p 1:dA1 H2p 1:dA1
assi ( resid 2 and name H3' )( resid 2 and name H2' ) 2.5 0.7 0.7 ! 5.11E+04 2.95E+00 H3p 1:dG2 H2p 1:dG2
assi ( resid 3 and name H3' )( resid 3 and name H2' ) 2.5 0.7 0.7 ! 6.03E+04 2.87E+00 H3p 1:dC3 H2p 1:dC3
assi ( resid 4 and name H3' )( resid 4 and name H2' ) 2.5 0.7 0.7 ! 5.98E+04 2.88E+00 H3p 1:dA4 H2p 1:dA4
assi ( resid 5 and name H2' )( resid 5 and name H3' ) 3.2 1.2 0.8 ! 8.64E+03 3.97E+00 H2p 1:dA5 H3p 1:dA5
assi ( resid 6 and name H3' )( resid 6 and name H2' ) 2.5 0.7 0.7 ! 4.00E+04 3.08E+00 H3p 1:dT6 H2p 1:dT6
assi ( resid 7 and name H3' )( resid 7 and name H2' ) 2.5 0.7 0.7 ! 4.79E+04 2.99E+00 H3p 1:dC7 H2p 1:dC7
assi ( resid 8 and name H3' )( resid 8 and name H2' ) 2.5 0.7 0.7 ! 7.98E+04 2.74E+00 H3p 1:dC8 H2p 1:dC8
assi ( resid 9 and name H3' )( resid 9 and name H2' ) 2.5 0.7 0.7 ! 5.57E+04 2.91E+00 H3p 1:dC9 H2p 1:dC9
assi ( resid 10 and name H3' )( resid 10 and name H2' ) 2.5 0.7 0.7 ! 4.39E+04 3.03E+00 H3p 1:dC10 H2p 1:dC10
assi ( resid 11 and name H3' )( resid 11 and name H2' ) 2.5 0.7 0.7 ! 5.07E+04 2.96E+00 H3p 1:dC11 H2p 1:dC11
assi ( resid 12 and name H3' )( resid 12 and name H2' ) 2.5 0.7 0.7 ! 3.83E+04 3.10E+00 H3p 1:dC12 H2p 1:dC12
assi ( resid 13 and name H3' )( resid 13 and name H2' ) 2.5 0.7 0.7 ! 7.07E+04 2.80E+00 H3p 1:dG13 H2p 1:dG13
assi ( resid 14 and name H3' )( resid 14 and name H2' ) 2.5 0.7 0.7 ! 7.46E+04 2.77E+00 H3p 1:dG14 H2p 1:dG14
assi ( resid 15 and name H3' )( resid 15 and name H2' ) 2.5 0.7 0.7 ! 6.66E+04 2.83E+00 H3p 1:dA15 H2p 1:dA15
assi ( resid 16 and name H3' )( resid 16 and name H2' ) 2.5 0.7 0.7 ! 5.89E+04 2.89E+00 H3p 1:dT16 H2p 1:dT16
assi ( resid 17 and name H3' )( resid 17 and name H2' ) 2.5 0.7 0.7 ! 5.11E+04 2.95E+00 H3p 1:dT17 H2p 1:dT17
assi ( resid 18 and name H3' )( resid 18 and name H2' ) 2.5 0.7 0.7 ! 5.37E+04 2.93E+00 H3p 1:dG18 H2p 1:dG18
assi ( resid 19 and name H3' )( resid 19 and name H2' ) 2.5 0.7 0.7 ! 5.95E+04 2.88E+00 H3p 1:dC19 H2p 1:dC19
assi ( resid 20 and name H2' )( resid 20 and name H3' ) 2.5 0.7 0.7 ! 7.81E+04 2.75E+00 H2p 1:dT20 H3p 1:dT20
!intra H2' -> H4' -3.9
!intraresidue 2''-6/8 ( /3.7)
assi ( resid 1 and name H2'' )( resid 1 and name H8 ) 3.2 1.2 0.8 ! 3.06E+04 3.22E+00 H2pp 1:dA1 H8 1:dA1
assi ( resid 2 and name H8 )( resid 2 and name H2'' ) 3.2 1.2 0.8 ! 9.35E+04 2.67E+00 H8 1:dG2 H2pp 1:dG2 (overlap)
assi ( resid 3 and name H2'' )( resid 3 and name H6 ) 3.2 1.2 0.8 ! 2.87E+04 3.25E+00 H2pp 1:dC3 H6 1:dC3
assi ( resid 4 and name H2'' )( resid 4 and name H8 ) 3.2 1.2 0.8 ! 4.36E+04 3.03E+00 H2pp 1:dA4 H8 1:dA4
assi ( resid 5 and name H2'' )( resid 5 and name H8 ) 3.2 1.2 0.8 ! 4.48E+04 3.02E+00 H2pp 1:dA5 H8 1:dA5
assi ( resid 6 and name H2'' )( resid 6 and name H6 ) 3.2 1.2 0.8 ! 2.97E+04 3.23E+00 H2pp 1:dT6 H6 1:dT6
assi ( resid 7 and name H2'' )( resid 7 and name H6 ) 3.2 1.2 0.8 ! 2.55E+04 3.32E+00 H2pp 1:dC7 H6 1:dC7
assi ( resid 8 and name H2'' )( resid 8 and name H6 ) 3.2 1.2 0.8 ! 1.55E+04 3.60E+00 H2pp 1:dC8 H6 1:dC8
assi ( resid 9 and name H6 )( resid 9 and name H2'' ) 4.0 2.2 1.0 ! 7.42E+03 4.08E+00 H6 1:dC9 H2pp 1:dC9
assi ( resid 10 and name H2'' )( resid 10 and name H6 ) 4.0 2.2 1.0 ! 4.26E+03 4.47E+00 H2pp 1:dC10 H6 1:dC10
assi ( resid 12 and name H6 )( resid 12 and name H2'' ) 3.2 1.2 0.8 ! 1.71E+04 3.55E+00 H6 1:dC12 H2pp 1:dC12
assi ( resid 13 and name H8 )( resid 13 and name H2'' ) 3.2 1.2 0.8 ! 3.10E+04 3.21E+00 H8 1:dG13 H2pp 1:dG13
assi ( resid 14 and name H2'' )( resid 14 and name H8 ) 3.2 1.2 0.8 7 ! 4.95E+04 2.97E+00 H2pp 1:dG14 H8 1:dG14
assi ( resid 15 and name H2'' )( resid 15 and name H8 ) 3.2 1.2 0.8 ! 3.97E+04 3.08E+00 H2pp 1:dA15 H8 1:dA15
assi ( resid 16 and name H2'' )( resid 16 and name H6 ) 3.2 1.2 0.8 ! 2.73E+04 3.28E+00 H2pp 1:dT16 H6 1:dT16
assi ( resid 17 and name H2'' )( resid 17 and name H6 ) 3.2 1.2 0.8 ! 3.70E+04 3.12E+00 H2pp 1:dT17 H6 1:dT17
assi ( resid 19 and name H2'' )( resid 19 and name H6 ) 3.2 1.2 0.8 ! 2.78E+04 3.27E+00 H2pp 1:dC19 H6 1:dC19
assi ( resid 20 and name H2'' )( resid 20 and name H6 ) 3.2 1.2 0.8 ! 2.54E+04 3.32E+00 H2pp 1:dT20 H6 1:dT20
!intraresidue 2''-3' -2.7
assi ( resid 1 and name H3' )( resid 1 and name H2'' ) 2.5 0.7 0.7 ! 4.20E+04 3.05E+00 H3p 1:dA1 H2pp 1:dA1
assi ( resid 2 and name H3' )( resid 2 and name H2'' ) 2.5 0.7 0.7 ! 4.66E+04 3.00E+00 H3p 1:dG2 H2pp 1:dG2
assi ( resid 3 and name H3' )( resid 3 and name H2'' ) 2.5 0.7 0.7 ! 5.23E+04 2.94E+00 H3p 1:dC3 H2pp 1:dC3
assi ( resid 4 and name H3' )( resid 4 and name H2'' ) 2.5 0.7 0.7 ! 5.17E+04 2.95E+00 H3p 1:dA4 H2pp 1:dA4
assi ( resid 5 and name H3' )( resid 5 and name H2'' ) 2.5 0.7 0.7 ! 3.57E+04 3.14E+00 H3p 1:dA5 H2pp 1:dA5
assi ( resid 6 and name H3' )( resid 6 and name H2'' ) 2.5 0.7 0.7 ! 4.86E+04 2.98E+00 H3p 1:dT6 H2pp 1:dT6
assi ( resid 7 and name H3' )( resid 7 and name H2'' ) 2.5 0.7 0.7 ! 3.30E+04 3.18E+00 H3p 1:dC7 H2pp 1:dC7
assi ( resid 8 and name H3' )( resid 8 and name H2'' ) 4.0 2.2 1.0 ! 6.72E+03 4.14E+00 H3p 1:dC8 H2pp 1:dC8
assi ( resid 9 and name H2'' )( resid 9 and name H3' ) 3.2 1.2 0.8 ! 1.27E+04 3.73E+00 H2pp 1:dC9 H3p 1:dC9
assi ( resid 13 and name H3' )( resid 13 and name H2'' ) 2.5 0.7 0.7 ! 5.62E+04 2.91E+00 H3p 1:dG13 H2pp 1:dG13
assi ( resid 14 and name H3' )( resid 14 and name H2'' ) 2.5 0.7 0.7 ! 6.34E+04 2.85E+00 H3p 1:dG14 H2pp 1:dG14
assi ( resid 15 and name H3' )( resid 15 and name H2'' ) 2.5 0.7 0.7 ! 3.96E+04 3.08E+00 H3p 1:dA15 H2pp 1:dA15
assi ( resid 16 and name H3' )( resid 16 and name H2'' ) 2.5 0.7 0.7 ! 5.43E+04 2.93E+00 H3p 1:dT16 H2pp 1:dT16
assi ( resid 17 and name H3' )( resid 17 and name H2'' ) 2.5 0.7 0.7 ! 4.21E+04 3.05E+00 H3p 1:dT17 H2pp 1:dT17
assi ( resid 18 and name H3' )( resid 18 and name H2'' ) 2.5 0.7 0.7 ! 5.25E+04 2.94E+00 H3p 1:dG18 H2pp 1:dG18
assi ( resid 19 and name H3' )( resid 19 and name H2'' ) 2.5 0.7 0.7 ! 3.52E+04 3.14E+00 H3p 1:dC19 H2pp 1:dC19
!intra H2'' -> H4' -4.1
assi ( resid 1 and name H4' )( resid 1 and name H2'' ) 4.0 2.2 1.0 ! 1.50E+04 3.62E+00 H4p 1:dA1 H2pp 1:dA1
assi ( resid 3 and name H4' )( resid 3 and name H2'' ) 3.2 1.2 0.8 ! 2.22E+04 3.40E+00 H4p 1:dC3 H2pp 1:dC3
assi ( resid 4 and name H2'' )( resid 4 and name H4' ) 4.0 2.2 1.0 ! 6.41E+03 4.18E+00 H2pp 1:dA4 H4p 1:dA4
assi ( resid 5 and name H2'' )( resid 5 and name H4' ) 4.0 2.2 1.0 ! 7.25E+03 4.09E+00 H2pp 1:dA5 H4p 1:dA5
assi ( resid 6 and name H4' )( resid 6 and name H2'' ) 3.2 1.2 0.8 ! 2.26E+04 3.39E+00 H4p 1:dT6 H2pp 1:dT6
assi ( resid 8 and name H4' )( resid 8 and name H2'' ) 4.0 2.2 1.0 ! 5.80E+03 4.25E+00 H4p 1:dC8 H2pp 1:dC8
assi ( resid 9 and name H2'' )( resid 9 and name H4' ) 4.0 2.2 1.0 ! 8.72E+03 3.97E+00 H2pp 1:dC9 H4p 1:dC9
assi ( resid 10 and name H4' )( resid 10 and name H2'' ) 3.2 1.2 0.8 ! 2.13E+04 3.42E+00 H4p 1:dC10 H2pp 1:dC10
assi ( resid 13 and name H4' )( resid 13 and name H2'' ) 4.0 2.2 1.0 ! 1.48E+04 3.63E+00 H4p 1:dG13 H2pp 1:dG13
assi ( resid 14 and name H4' )( resid 14 and name H2'' ) 4.0 2.2 1.0 ! 6.19E+03 4.20E+00 H4p 1:dG14 H2pp 1:dG14
assi ( resid 15 and name H4' )( resid 15 and name H2'' ) 4.0 2.2 1.0 ! 5.34E+03 4.31E+00 H4p 1:dA15 H2pp 1:dA15
assi ( resid 16 and name H2'' )( resid 16 and name H4' ) 4.0 2.2 1.0 ! 1.10E+04 3.82E+00 H2pp 1:dT16 H4p 1:dT16
assi ( resid 18 and name H2'' )( resid 18 and name H4' ) 4.0 2.2 1.0 ! 8.24E+03 4.01E+00 H2pp 1:dG18 H4p 1:dG18
!intra 5'-6/8 6: 3.3 8:3.5
assi ( resid 1 and name H5' )( resid 1 and name H8 ) 4.0 2.2 1.0 ! 7.20E+03 4.10E+00 H5p 1:dA1 H8 1:dA1
assi ( resid 2 and name H5' )( resid 2 and name H8 ) 3.2 1.2 0.8 ! 8.78E+03 3.96E+00 H5p 1:dG2 H8 1:dG2
assi ( resid 4 and name H5' )( resid 4 and name H8 ) 4.0 2.2 1.0 ! 5.55E+03 4.28E+00 H5p 1:dA4 H8 1:dA4
assi ( resid 8 and name H6 )( resid 8 and name H5' ) 4.5 2.7 2.0 ! 3.44E+03 4.63E+00 H6 1:dC8 H5p 1:dC8
assi ( resid 11 and name H5' )( resid 11 and name H6 ) 4.0 2.2 1.0 ! 5.10E+03 4.34E+00 H5p 1:dC11 H6 1:dC11
assi ( resid 12 and name H5' )( resid 12 and name H6 ) 3.2 1.2 0.8 ! 1.44E+04 3.65E+00 H5p 1:dC12 H6 1:dC12
assi ( resid 13 and name H8 )( resid 13 and name H5' ) 4.0 2.2 1.0 ! 8.33E+03 4.00E+00 H8 1:dG13 H5p 1:dG13
assi ( resid 14 and name H5' )( resid 14 and name H8 ) 4.0 2.2 1.0 ! 4.95E+03 4.36E+00 H5p 1:dG14 H8 1:dG14
assi ( resid 15 and name H5' )( resid 15 and name H8 ) 4.0 2.2 1.0 ! 9.08E+03 3.94E+00 H5p 1:dA15 H8 1:dA15
assi ( resid 16 and name H5' )( resid 16 and name H6 ) 4.0 2.2 1.0 ! 6.46E+03 4.17E+00 H5p 1:dT16 H6 1:dT16
!intra 5''-6/8 6: 4.1 8:4.3
assi ( resid 1 and name H5'' )( resid 1 and name H8 ) 4.0 2.2 1.0 ! 5.70E+03 4.26E+00 H5pp 1:dA1 H8 1:dA1
assi ( resid 2 and name H5'' )( resid 2 and name H8 ) 4.0 2.2 1.0 ! 7.20E+03 4.10E+00 H5pp 1:dG2 H8 1:dG2
assi ( resid 4 and name H5'' )( resid 4 and name H8 ) 4.0 2.2 1.0 ! 4.79E+03 4.38E+00 H5pp 1:dA4 H8 1:dA4
assi ( resid 5 and name H5'' )( resid 5 and name H8 ) 4.0 2.2 1.0 ! 8.10E+03 4.02E+00 H5pp 1:dA5 H8 1:dA5
assi ( resid 7 and name H6 )( resid 7 and name H5'' ) 4.0 2.2 1.0 ! 6.69E+03 4.15E+00 H6 1:dC7 H5pp 1:dC7
assi ( resid 14 and name H5'' )( resid 14 and name H8 ) 4.0 2.2 1.0 ! 9.53E+03 3.91E+00 H5pp 1:dG14 H8 1:dG14
assi ( resid 15 and name H8 )( resid 15 and name H5'' ) 4.0 2.2 1.0 ! 1.11E+04 3.81E+00 H8 1:dA15 H5pp 1:dA15
assi ( resid 16 and name H6 )( resid 16 and name H5'' ) 4.5 2.7 2.0 ! 3.22E+03 4.68E+00 H6 1:dT16 H5pp 1:dT16
!intraresidue H3'-H6/8 (DNA: 3.9/4.2, xylo?)
assi ( resid 5 and name H8 )( resid 5 and name H3' ) 4.0 2.2 1.0 ! 4.27E+03 4.47E+00 H8 1:dA5 H3p 1:dA5
assi ( resid 6 and name H3' )( resid 6 and name H6 ) 3.2 1.2 0.8 ! 2.89E+04 3.25E+00 H3p 1:dT6 H6 1:dT6
assi ( resid 7 and name H3' )( resid 7 and name H6 ) 3.2 1.2 0.8 ! 3.06E+04 3.22E+00 H3p 1:dC7 H6 1:dC7
assi ( resid 8 and name H3' )( resid 8 and name H6 ) 3.2 1.2 0.8 ! 3.01E+04 3.23E+00 H3p 1:dC8 H6 1:dC8
assi ( resid 9 and name H3' )( resid 9 and name H6 ) 4.0 2.2 1.0 ! 6.69E+03 4.15E+00 H3p 1:dC9 H6 1:dC9
assi ( resid 10 and name H3' )( resid 10 and name H6 ) 4.0 2.2 1.0 ! 7.38E+03 4.08E+00 H3p 1:dC10 H6 1:dC10
assi ( resid 11 and name H3' )( resid 11 and name H6 ) 4.0 2.2 1.0 ! 1.16E+04 3.78E+00 H3p 1:dC11 H6 1:dC11
!INTERRESIDUE
!1'(n)-6/8(n+1) (2.8)
assi ( resid 1 and name H1' )( resid 2 and name H8 ) 3.2 1.2 0.8 ! 1.33E+04 3.70E+00 H1p 1:dA1 H8 1:dG2
assi ( resid 2 and name H1' )( resid 3 and name H6 ) 3.2 1.2 0.8 ! 2.06E+04 3.44E+00 H1p 1:dG2 H6 1:dC3
assi ( resid 3 and name H1' )( resid 4 and name H8 ) 3.2 1.2 0.8 ! 1.43E+04 3.65E+00 H1p 1:dC3 H8 1:dA4
assi ( resid 4 and name H1' )( resid 5 and name H8 ) 3.2 1.2 0.8 ! 2.61E+04 3.30E+00 H1p 1:dA4 H8 1:dA5
assi ( resid 5 and name H1' )( resid 6 and name H6 ) 3.2 1.2 0.8 ! 1.71E+04 3.55E+00 H1p 1:dA5 H6 1:dT6
assi ( resid 6 and name H1' )( resid 7 and name H6 ) 3.2 1.2 0.8 ! 1.73E+04 3.54E+00 H1p 1:dT6 H6 1:dC7
assi ( resid 7 and name H1' )( resid 8 and name H6 ) 4.0 2.2 1.0 ! 7.51E+03 4.07E+00 H1p 1:dC7 H6 1:dC8
assi ( resid 8 and name H1' )( resid 9 and name H6 ) 3.2 1.2 0.8 ! 1.14E+04 3.79E+00 H1p 1:dC8 H6 1:dC9
assi ( resid 9 and name H1' )( resid 10 and name H6 ) 4.5 2.7 2.0 ! 2.86E+03 4.78E+00 H1p 1:dC9 H6 1:dC10
assi ( resid 11 and name H1' )( resid 12 and name H6 ) 4.0 2.2 1.0 ! 6.39E+03 4.18E+00 H1p 1:dC11 H6 1:dC12
assi ( resid 12 and name H6 )( resid 11 and name H1' ) 4.0 2.2 1.0 ! 5.81E+03 4.25E+00 H6 1:dC12 H1p 1:dC11
assi ( resid 12 and name H1' )( resid 13 and name H8 ) 4.5 2.7 2.0 ! 2.20E+03 4.99E+00 H1p 1:dC12 H8 1:dG13
assi ( resid 13 and name H1' )( resid 14 and name H8 ) 3.2 1.2 0.8 ! 1.01E+04 3.87E+00 H1p 1:dG13 H8 1:dG14
assi ( resid 14 and name H1' )( resid 15 and name H8 ) 3.2 1.2 0.8 ! 3.12E+04 3.21E+00 H1p 1:dG14 H8 1:dA15
assi ( resid 15 and name H1' )( resid 16 and name H6 ) 3.2 1.2 0.8 ! 2.17E+04 3.41E+00 H1p 1:dA15 H6 1:dT16
assi ( resid 16 and name H1' )( resid 17 and name H6 ) 3.2 1.2 0.8 ! 1.48E+04 3.63E+00 H1p 1:dT16 H6 1:dT17
assi ( resid 17 and name H1' )( resid 18 and name H8 ) 3.2 1.2 0.8 ! 1.75E+04 3.53E+00 H1p 1:dT17 H8 1:dG18
assi ( resid 18 and name H1' )( resid 19 and name H6 ) 3.2 1.2 0.8 ! 2.76E+04 3.27E+00 H1p 1:dG18 H6 1:dC19
assi ( resid 19 and name H1' )( resid 20 and name H6 ) 3.2 1.2 0.8 ! 1.17E+04 3.78E+00 H1p 1:dC19 H6 1:dT20
!1'(n)-1'(n+1) -4.9
assi ( resid 2 and name H1' )( resid 3 and name H1' ) 4.0 2.2 1.0 ! 6.20E+03 4.20E+00 H1p 1:dG2 H1p 1:dC3
assi ( resid 3 and name H1' )( resid 4 and name H1' ) 4.5 2.7 2.0 ! 1.61E+03 5.26E+00 H1p 1:dC3 H1p 1:dA4
assi ( resid 4 and name H1' )( resid 5 and name H1' ) 4.5 2.7 2.0 ! 3.91E+03 4.53E+00 H1p 1:dA4 H1p 1:dA5
assi ( resid 6 and name H1' )( resid 5 and name H1' ) 4.5 2.7 2.0 ! 3.35E+03 4.65E+00 H1p 1:dT6 H1p 1:dA5
assi ( resid 6 and name H1' )( resid 7 and name H1' ) 4.0 2.2 1.0 ! 8.04E+03 4.02E+00 H1p 1:dT6 H1p 1:dC7
assi ( resid 7 and name H1' )( resid 8 and name H1' ) 4.0 2.2 1.0 ! 8.19E+03 4.01E+00 H1p 1:dC7 H1p 1:dC8
assi ( resid 8 and name H1' )( resid 9 and name H1' ) 4.0 2.2 1.0 ! 7.55E+03 4.06E+00 H1p 1:dC8 H1p 1:dC9
assi ( resid 13 and name H1' )( resid 14 and name H1' ) 4.5 2.7 2.0 ! 2.03E+03 5.06E+00 H1p 1:dG13 H1p 1:dG14
assi ( resid 14 and name H1' )( resid 15 and name H1' ) 4.5 2.7 2.0 ! 1.95E+03 5.09E+00 H1p 1:dG14 H1p 1:dA15
assi ( resid 15 and name H1' )( resid 16 and name H1' ) 4.5 2.7 2.0 ! 4.09E+03 4.50E+00 H1p 1:dA15 H1p 1:dT16
assi ( resid 18 and name H1' )( resid 19 and name H1' ) 4.0 2.2 1.0 ! 8.05E+03 4.02E+00 H1p 1:dG18 H1p 1:dC19
assi ( resid 19 and name H1' )( resid 20 and name H1' ) 4.5 2.7 2.0 ! 3.12E+03 4.71E+00 H1p 1:dC19 H1p 1:dT20
!1'(n)-3'(n+1)
assi ( resid 2 and name H1' )( resid 3 and name H3' ) 4.5 2.7 2.0
assi ( resid 2 and name H3' )( resid 1 and name H1' ) 4.5 2.7 2.0 ! 3.69E+03 4.58E+00 H3p 1:dG2 H1p 1:dA1
assi ( resid 3 and name H1' )( resid 4 and name H3' ) 4.5 2.7 2.0 ! 9.20E+02 5.77E+00 H1p 1:dC3 H3p 1:dA4
assi ( resid 4 and name H1' )( resid 5 and name H3' ) 4.5 2.7 2.0 ! 6.09E+01 9.07E+00 H1p 1:dA4 H3p 1:dA5
assi ( resid 5 and name H1' )( resid 6 and name H3' ) 4.5 2.7 2.0 ! 4.27E+02 6.56E+00 H1p 1:dA5 H3p 1:dT6
assi ( resid 7 and name H1' )( resid 8 and name H3' ) 4.5 2.7 2.0 ! 2.56E+02 7.14E+00 H1p 1:dC7 H3p 1:dC8
assi ( resid 13 and name H1' )( resid 14 and name H3' ) 4.5 2.7 2.0 ! 1.10E+03 5.60E+00 H1p 1:dG13 H3p 1:dG14
assi ( resid 15 and name H1' )( resid 16 and name H3' ) 4.5 2.7 2.0 ! 3.78E+02 6.69E+00 H1p 1:dA15 H3p 1:dT16
assi ( resid 17 and name H3' )( resid 16 and name H1' ) 4.5 2.7 2.0 ! 2.11E+03 5.03E+00 H3p 1:dT17 H1p 1:dT16
assi ( resid 17 and name H1' )( resid 18 and name H3' ) 4.5 2.7 2.0 ! 1.29E+02 8.01E+00 H1p 1:dT17 H3p 1:dG18
assi ( resid 18 and name H1' )( resid 19 and name H3' ) 4.5 2.7 2.0 ! 1.34E+03 5.42E+00 H1p 1:dG18 H3p 1:dC19
assi ( resid 19 and name H1' )( resid 20 and name H3' ) 4.5 2.7 2.0 ! 1.31E+03 5.44E+00 H1p 1:dC19 H3p 1:dT20
!2(n)-1'(n+1)
assi ( resid 5 and name H1' )( resid 4 and name H2 ) 4.5 2.7 2.0 ! 3.39E+03 4.64E+00 H1p 1:dA5 H2 1:dA4
!6/8-6/8(5 or 5.2 or 4.8 or 5) (* overlap with diagonal => incrased 1 category)
assi ( resid 1 and name H8 )( resid 2 and name H8 ) 4.0 2.2 1.0 ! 1.35E+04 3.69E+00 H8 1:dA1 H8 1:dG2
assi ( resid 2 and name H8 )( resid 3 and name H6 ) 4.0 2.2 1.0 ! 1.15E+04 3.79E+00 H8 1:dG2 H6 1:dC3
assi ( resid 3 and name H6 )( resid 4 and name H8 ) 4.0 2.2 1.0 ! 5.85E+03 4.24E+00 H6 1:dC3 H8 1:dA4
assi ( resid 4 and name H8 )( resid 5 and name H8 ) 4.0 2.2 1.0 ! 3.56E+04 3.14E+00 H8 1:dA4 H8 1:dA5
assi ( resid 5 and name H8 )( resid 6 and name H6 ) 4.0 2.2 1.0 ! 1.21E+04 3.76E+00 H8 1:dA5 H6 1:dT6
assi ( resid 6 and name H6 )( resid 7 and name H6 ) 4.0 2.2 1.0 ! 1.10E+04 3.82E+00 H6 1:dT6 H6 1:dC7
assi ( resid 7 and name H6 )( resid 6 and name H7 ) 4.5 2.7 2.0 ! 2.86E+03 4.78E+00 H6 1:dC7 H7 1:dT6
assi ( resid 7 and name H6 )( resid 8 and name H6 ) 4.0 2.2 1.0 ! 6.78E+03 4.14E+00 H6 1:dC7 H6 1:dC8
assi ( resid 9 and name H6 )( resid 8 and name H6 ) 4.0 2.2 1.0 ! 2.70E+04 3.29E+00 H6 1:dC9 H6 1:dC8
assi ( resid 13 and name H8 )( resid 12 and name H6 ) 4.5 2.7 2.0 ! 4.02E+03 4.51E+00 H8 1:dG13 H6 1:dC12
assi ( resid 14 and name H8 )( resid 15 and name H8 ) 4.0 2.2 1.0 ! 9.77E+03 3.89E+00 H8 1:dG14 H8 1:dA15
assi ( resid 15 and name H8 )( resid 16 and name H6 ) 4.0 2.2 1.0 ! 1.29E+04 3.72E+00 H8 1:dA15 H6 1:dT16
assi ( resid 16 and name H6 )( resid 17 and name H6 ) 4.0 2.2 1.0 ! 1.59E+04 3.59E+00 H6 1:dT16 H6 1:dT17
assi ( resid 18 and name H8 )( resid 17 and name H6 ) 4.0 2.2 1.0 ! 1.33E+04 3.70E+00 H8 1:dG18 H6 1:dT17
assi ( resid 19 and name H6 )( resid 18 and name H8 ) 4.0 2.2 1.0 ! 1.14E+04 3.79E+00 H6 1:dC19 H8 1:dG18
assi ( resid 19 and name H6 )( resid 20 and name H6 ) 4.0 2.2 1.0 ! 1.56E+04 3.60E+00 H6 1:dC19 H6 1:dT20
assi ( resid 19 and name H5 )( resid 18 and name H8 ) 4.0 2.2 1.0
assi ( resid 3 and name H5 )( resid 2 and name H8 ) 4.0 2.2 1.0 ! 1.97E+04 3.46E+00 H5 1:dC3 H8 1:dG2
assi ( resid 7 and name H5 )( resid 6 and name H6 ) 4.0 2.2 1.0 ! 1.45E+04 3.65E+00 H5 1:dC7 H6 1:dT6
assi ( resid 6 and name C5A )( resid 7 and name H5 ) 4.0 2.2 1.0 ! 1.51E+04 3.62E+00 H7 1:dT6 H5 1:dC7
assi ( resid 7 and name H5 )( resid 6 and name C5A ) 4.0 2.2 1.0 ! 1.56E+04 3.60E+00 H5 1:dC7 H7 1:dT6
assi ( resid 7 and name H5 )( resid 8 and name H5 ) 4.0 2.2 1.0 ! 8.66E+03 3.97E+00 H5 1:dC7 H5 1:dC8
assi ( resid 19 and name H6 )( resid 20 and name C5A ) 4.0 2.2 1.0 ! 3.58E+04 3.14E+00 H6 1:dC19 H7 1:dT20
!other base(n)-base(n+1)
assi ( resid 6 and name C5A )( resid 5 and name H8 ) 4.0 2.2 1.0 ! 7.05E+04 2.80E+00 H7 1:dT6 H8 1:dA5
assi ( resid 16 and name C5A )( resid 15 and name H8 ) 4.0 2.2 1.0 ! 8.02E+04 2.74E+00 H7 1:dT16 H8 1:dA15
assi ( resid 16 and name H6 )( resid 17 and name C5A ) 4.0 2.2 1.0 ! 7.34E+04 2.78E+00 H6 1:dT16 H7 1:dT17
!2'(n)-6/8(n+1) (3.9 or 3.7)
assi ( resid 2 and name H8 )( resid 1 and name H2' ) 3.2 1.2 0.8 ! 2.87E+04 3.25E+00 H8 1:dG2 H2p 1:dA1
assi ( resid 3 and name H6 )( resid 2 and name H2' ) 3.2 1.2 0.8 ! 1.31E+04 3.71E+00 H6 1:dC3 H2p 1:dG2
assi ( resid 4 and name H8 )( resid 3 and name H2' ) 3.2 1.2 0.8 ! 1.55E+04 3.60E+00 H8 1:dA4 H2p 1:dC3
assi ( resid 4 and name H2' )( resid 5 and name H8 ) 3.2 1.2 0.8 ! 2.16E+04 3.41E+00 H2p 1:dA4 H8 1:dA5
assi ( resid 6 and name H6 )( resid 5 and name H2' ) 3.2 1.2 0.8 ! 2.58E+04 3.31E+00 H6 1:dT6 H2p 1:dA5
assi ( resid 7 and name H6 )( resid 6 and name H2' ) 3.2 1.2 0.8 ! 2.04E+04 3.44E+00 H6 1:dC7 H2p 1:dT6
assi ( resid 8 and name H6 )( resid 7 and name H2' ) 3.2 1.2 0.8 ! 1.82E+04 3.51E+00 H6 1:dC8 H2p 1:dC7
assi ( resid 9 and name H6 )( resid 8 and name H2' ) 3.2 1.2 0.8 ! 2.38E+04 3.36E+00 H6 1:dC9 H2p 1:dC8
assi ( resid 10 and name H6 )( resid 11 and name H2' ) 4.0 2.2 1.0 ! 4.44E+03 4.44E+00 H6 1:dC10 H2p 1:dC11
assi ( resid 15 and name H2' )( resid 16 and name H6 ) 3.2 1.2 0.8 ! 2.08E+04 3.43E+00 H2p 1:dA15 H6 1:dT16
assi ( resid 16 and name H2' )( resid 17 and name H6 ) 3.2 1.2 0.8 ! 2.43E+04 3.34E+00 H2p 1:dT16 H6 1:dT17
assi ( resid 17 and name H2' )( resid 18 and name H8 ) 3.2 1.2 0.8 ! 1.88E+04 3.49E+00 H2p 1:dT17 H8 1:dG18
assi ( resid 18 and name H2' )( resid 19 and name H6 ) 3.2 1.2 0.8 ! 2.13E+04 3.42E+00 H2p 1:dG18 H6 1:dC19
!2(n)-6/8(n+1)(2.4/2.3)
assi ( resid 1 and name H2'' )( resid 2 and name H8 ) 2.5 0.7 0.7 ! 5.38E+04 2.93E+00 H2pp 1:dA1 H8 1:dG2
assi ( resid 2 and name H2'' )( resid 3 and name H6 ) 3.2 1.2 0.8 ! 1.90E+04 3.48E+00 H2pp 1:dG2 H6 1:dC3
assi ( resid 4 and name H8 )( resid 3 and name H2'' ) 2.5 0.7 0.7 ! 3.47E+04 3.15E+00 H8 1:dA4 H2pp 1:dC3
assi ( resid 5 and name H2'' )( resid 6 and name H6 ) 2.5 0.7 0.7 ! 3.80E+04 3.10E+00 H2pp 1:dA5 H6 1:dT6
assi ( resid 10 and name H2'' )( resid 11 and name H6 ) 3.2 1.2 0.8 ! 1.08E+04 3.83E+00 H2pp 1:dC10 H6 1:dC11
assi ( resid 15 and name H2'' )( resid 16 and name H6 ) 2.5 0.7 0.7 ! 3.47E+04 3.15E+00 H2pp 1:dA15 H6 1:dT16
assi ( resid 16 and name H2'' )( resid 17 and name H6 ) 2.5 0.7 0.7 ! 3.98E+04 3.08E+00 H2pp 1:dT16 H6 1:dT17
assi ( resid 17 and name H6 )( resid 16 and name H2'' ) 2.5 0.7 0.7 ! 4.64E+04 3.00E+00 H6 1:dT17 H2pp 1:dT16
assi ( resid 18 and name H2'' )( resid 19 and name H6 ) 3.2 1.2 0.8 ! 2.86E+04 3.25E+00 H2pp 1:dG18 H6 1:dC19
!2'(n)-5(n+1)(3.2)
assi ( resid 2 and name H2' )( resid 3 and name H5 ) 3.2 1.2 0.8 ! 9.42E+03 3.92E+00 H2p 1:dG2 H5 1:dC3
assi ( resid 3 and name H5 )( resid 2 and name H2' ) 3.2 1.2 0.8 ! 1.16E+04 3.78E+00 H5 1:dC3 H2p 1:dG2
assi ( resid 6 and name H2' )( resid 7 and name H5 ) 3.2 1.2 0.8 ! 1.36E+04 3.68E+00 H2p 1:dT6 H5 1:dC7
assi ( resid 7 and name H5 )( resid 6 and name H2' ) 3.2 1.2 0.8 ! 1.61E+04 3.58E+00 H5 1:dC7 H2p 1:dT6
!2''(n)-5(n+1)(2.8)
assi ( resid 3 and name H5 )( resid 2 and name H2'' ) 3.2 1.2 0.8 ! 1.80E+04 3.52E+00 H5 1:dC3 H2pp 1:dG2
assi ( resid 7 and name H5 )( resid 6 and name H2'' ) 3.2 1.2 0.8 ! 1.82E+04 3.51E+00 H5 1:dC7 H2pp 1:dT6
assi ( resid 7 and name H2'' )( resid 8 and name H5 ) 4.0 2.2 1.0 ! 4.42E+03 4.44E+00 H2pp 1:dC7 H5 1:dC8
!3'(n)-6/8(n+1)(5.0 or 4.9)
assi ( resid 2 and name H3' )( resid 3 and name H6 ) 4.0 2.2 1.0 ! 7.36E+03 4.08E+00 H3p 1:dG2 H6 1:dC3
assi ( resid 4 and name H8 )( resid 3 and name H3' ) 4.0 2.2 1.0 ! 4.14E+03 4.49E+00 H8 1:dA4 H3p 1:dC3
assi ( resid 5 and name H8 )( resid 4 and name H3' ) 4.0 2.2 1.0 ! 5.74E+03 4.25E+00 H8 1:dA5 H3p 1:dA4
assi ( resid 5 and name H3' )( resid 6 and name H6 ) 4.0 2.2 1.0 ! 1.33E+04 3.70E+00 H3p 1:dA5 H6 1:dT6
assi ( resid 8 and name H3' )( resid 9 and name H6 ) 4.0 2.2 1.0 ! 5.98E+03 4.22E+00 H3p 1:dC8 H6 1:dC9
assi ( resid 16 and name H3' )( resid 17 and name H6 ) 4.0 2.2 1.0 ! 1.08E+04 3.83E+00 H3p 1:dT16 H6 1:dT17
assi ( resid 17 and name H3' )( resid 18 and name H8 ) 4.0 2.2 1.0 ! 1.14E+04 3.79E+00 H3p 1:dT17 H8 1:dG18
assi ( resid 18 and name H3' )( resid 19 and name H6 ) 4.0 2.2 1.0 ! 7.93E+03 4.03E+00 H3p 1:dG18 H6 1:dC19
!n1' -> n+1:5'/5" (1.8/3.4)
assi ( resid 3 and name H1' )( resid 4 and name H5'' ) 4.0 2.2 1.0 ! 6.62E+03 4.15E+00 H1p 1:dC3 H5pp 1:dA4
assi ( resid 13 and name H1' )( resid 14 and name H5' ) 4.5 2.7 2.0 ! 1.65E+03 5.24E+00 H1p 1:dG13 H5p 1:dG14
assi ( resid 15 and name H1' )( resid 16 and name H5' ) 4.0 2.2 1.0 ! 7.04E+03 4.11E+00 H1p 1:dA15 H5p 1:dT16
assi ( resid 16 and name H5' )( resid 15 and name H1' ) 3.2 1.2 0.8 ! 1.02E+04 3.87E+00 H5p 1:dT16 H1p 1:dA15
assi ( resid 18 and name H5' )( resid 17 and name H1' ) 3.2 1.2 0.8 ! 1.02E+04 3.87E+00 H5p 1:dT16 H1p 1:dA15
assi ( resid 19 and name H1' )( resid 20 and name H5' ) 3.2 1.2 0.8 ! 1.49E+04 3.63E+00 H1p 1:dC19 H5p 1:dT20
!n1' -> n+1:4' -4.2
assi ( resid 3 and name H4' )( resid 2 and name H1' ) 4.0 2.2 1.0
assi ( resid 17 and name H4' )( resid 16 and name H1' ) 4.0 2.2 1.0
assi ( resid 18 and name H4' )( resid 17 and name H1' ) 4.0 2.2 1.0
assi ( resid 19 and name H4' )( resid 18 and name H1' ) 4.0 2.2 1.0
assi ( resid 3 and name H1' )( resid 4 and name H4' ) 4.5 2.7 2.0 ! 2.44E+03 4.91E+00 H1p 1:dC3 H4p 1:dA4
assi ( resid 4 and name H1' )( resid 5 and name H4' ) 4.0 2.2 1.0 ! 4.26E+03 4.47E+00 H1p 1:dA4 H4p 1:dA5
assi ( resid 5 and name H1' )( resid 6 and name H4' ) 4.0 2.2 1.0 ! 6.12E+03 4.21E+00 H1p 1:dA5 H4p 1:dT6
assi ( resid 7 and name H1' )( resid 8 and name H4' ) 4.5 2.7 2.0 ! 3.06E+03 4.72E+00 H1p 1:dC7 H4p 1:dC8
assi ( resid 8 and name H1' )( resid 9 and name H4' ) 4.5 2.7 2.0 ! 1.91E+03 5.11E+00 H1p 1:dC8 H4p 1:dC9
assi ( resid 14 and name H1' )( resid 15 and name H4' ) 4.5 2.7 2.0 ! 3.74E+03 4.57E+00 H1p 1:dG14 H4p 1:dA15
assi ( resid 15 and name H1' )( resid 16 and name H4' ) 4.0 2.2 1.0 ! 7.71E+03 4.05E+00 H1p 1:dA15 H4p 1:dT16
assi ( resid 19 and name H1' )( resid 20 and name H4' ) 4.0 2.2 1.0 ! 7.10E+03 4.11E+00 H1p 1:dC19 H4p 1:dT20
!CROSSTRAND
assi ( resid 20 and name H1' )( resid 1 and name H2 ) 4.5 2.7 2.0 ! 1.20E+03 5.52E+00 H1p 1:dT20 H2 1:dA1
assi ( resid 1 and name H2 )( resid 19 and name H1' ) 4.5 2.7 2.0 ! 2.20E+03 4.99E+00 H2 1:dA1 H1p 1:dC19
assi ( resid 18 and name H1' )( resid 4 and name H2 ) 4.5 2.7 2.0 ! 1.46E+03 5.34E+00 H1p 1:dG18 H2 1:dA4
assi ( resid 15 and name H2 )( resid 5 and name H2 ) 3.2 1.2 0.8 ! 1.12E+04 3.81E+00 H2 1:dA15 H2 1:dA5
assi ( resid 17 and name H1' )( resid 5 and name H2 ) 4.5 2.7 2.0 ! 6.61E+03 4.16E+00 H1p 1:dC7 H2 1:dA15
assi ( resid 7 and name H1' )( resid 15 and name H2 ) 4.5 2.7 2.0 ! 6.61E+03 4.16E+00 H1p 1:dC7 H2 1:dA15
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