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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7925 |
1lai   |
cing | 1-original | 2 | XPLOR/CNS | distance | NOE | ambi |
assign ( resid 1 and name H6 )( resid 1 and name H1' ) 3.76 1.07 1.07 ! ub+0.7
assign ( resid 1 and name H6 )( resid 1 and name H2' ) 2.56 0.33 0.33 ! nc
assign ( resid 1 and name H1' )( resid 1 and name H3' ) 2.96 0.92 0.92 ! ub+0.5
assign ( resid 1 and name H1' )( resid 2 and name H3' ) 4.85 1.15 1.15 ! ub=6
assign ( resid 1 and name H2' )( resid 1 and name H3' ) 2.58 0.33 0.33 ! nc
assign ( resid 1 and name H6 )( resid 1 and name H4' ) 3.85 0.99 1.00 ! ub+0.5
assign ( resid 1 and name H2' )( resid 1 and name H5 ) 3.57 1.36 1.36 ! ub+1.5
! assign ( resid 1 and name H3' )( resid 1 and name H5 ) 4.63 0.71 0.71 ! OFF
assign (( resid 1 and name H5' ) or ( resid 1 and name H5'' ))
( resid 1 and name H5 ) 4.76 1.66 1.67 ! ub+1.0
assign ( resid 1 and name H3' )( resid 1 and name H6 ) 3.21 1.04 1.04 ! ub+1.2
assign (( resid 1 and name H5' ) or ( resid 1 and name H5'' ))
( resid 1 and name H6 ) 3.75 1.27 1.26 ! ub+1.0
assign (( resid 1 and name H5' ) or ( resid 1 and name H5'' ))
( resid 1 and name H1' ) 3.83 1.21 1.21 ! ub+0.5
assign (( resid 1 and name H5' ) or ( resid 1 and name H5'' ))
( resid 1 and name H2' ) 3.07 0.86 0.86 ! ub+0.5
assign (( resid 1 and name H5' ) or ( resid 1 and name H5'' ))
( resid 1 and name H2'' ) 4.22 0.65 0.65 ! nc
assign (( resid 1 and name H5' ) or ( resid 1 and name H5'' ))
( resid 1 and name H3' ) 2.90 0.93 0.93 ! ub+1.0
assign ( resid 2 and name H8 )( resid 2 and name H1' ) 2.74 0.99 0.99 ! ub+0.7
assign ( resid 2 and name H8 )( resid 2 and name H3' ) 3.57 0.92 0.92 ! ub+1.0
assign ( resid 2 and name H1' )( resid 2 and name H3' ) 3.34 0.70 0.71 ! ub+0.5
assign ( resid 2 and name H8 )( resid 2 and name H4' ) 4.88 0.85 0.86 ! nc
assign ( resid 2 and name H8 )( resid 3 and name H5 ) 3.13 0.59 0.59 ! nc
assign ( resid 2 and name H8 )( resid 1 and name H6 ) 5.00 0.40 0.40 ! gen
! assign ( resid 2 and name H8 )( resid 1 and name Q5' ) 4.54 0.98 0.97 ! OFF
assign ( resid 3 and name H5 )( resid 2 and name H1' ) 2.85 0.85 0.85 ! nc
assign ( resid 3 and name H5 )( resid 2 and name H3' ) 4.34 1.07 1.07 ! nc
assign ( resid 3 and name H1' )( resid 3 and name H3' ) 3.34 0.72 0.72 ! ub+1.0
! assign ( resid 3 and name H6 )( resid 2 and name H4' ) 3.84 1.01 1.01 ! OFF
assign ( resid 3 and name H6 )( resid 2 and name H8 ) 5.00 0.40 0.40 ! gen
assign ( resid 4 and name H8 )( resid 3 and name H2' ) 3.79 0.40 0.40 ! ub+1.0
assign ( resid 4 and name H8 )( resid 3 and name H2'' ) 2.90 0.60 0.60 ! lb=2.5
assign ( resid 4 and name H8 )( resid 4 and name H3' ) 3.70 0.92 0.92 ! ub+1.0
assign ( resid 4 and name H8 )( resid 3 and name H3' ) 4.25 1.02 1.03 ! nc
assign ( resid 4 and name H1' )( resid 4 and name H3' ) 3.38 0.57 0.57 ! ub+0.5
assign ( resid 4 and name H8 )( resid 4 and name H4' ) 5.15 0.65 0.66 ! nc
! assign ( resid 4 and name H8 )( resid 3 and name H4' ) 4.57 0.42 0.42 ! OFF
assign ( resid 4 and name H1' )( resid 4 and name H4' ) 3.06 0.83 0.83 ! ub+1.0
assign ( resid 4 and name H1' )( resid 5 and name H4' ) 4.29 0.80 0.80 ! ub=5.1
assign ( resid 4 and name H8 )( resid 4 and name H5' ) 3.79 0.66 0.66 ! nc
assign ( resid 4 and name H8 )( resid 4 and name H5'' ) 4.62 0.74 0.73 ! nc
assign ( resid 4 and name H8 )( resid 3 and name H6 ) 5.00 0.40 0.40 ! gen
assign ( resid 5 and name H8 )( resid 4 and name H1' ) 2.96 0.95 0.94 ! ub+1.0
assign ( resid 5 and name H8 )( resid 5 and name H3' ) 3.62 1.29 1.29 ! ub+1.0
assign ( resid 5 and name H8 )( resid 4 and name H3' ) 5.19 0.60 0.59 ! nc
assign ( resid 5 and name H8 )( resid 5 and name H4' ) 4.38 0.61 0.62 ! nc
! assign ( resid 5 and name H8 )( resid 4 and name H4' ) 3.78 0.85 0.85 ! OFF
assign ( resid 5 and name H1' )( resid 6 and name H4' ) 4.60 0.60 0.60 ! gen
assign ( resid 5 and name H2' )( resid 5 and name H4' ) 3.27 1.23 1.23 ! ub+1.0
assign (( resid 5 and name H5' ) or ( resid 5 and name H5'' ))
( resid 5 and name H8 ) 4.03 0.84 0.83 ! nc
assign ( resid 6 and name H6 )( resid 6 and name H1' ) 3.04 0.93 0.93 ! ub+0.7
assign ( resid 6 and name H6 )( resid 5 and name H1' ) 2.91 0.73 0.73 ! ub+0.5
assign ( resid 6 and name H6 )( resid 6 and name H2' ) 2.42 0.23 0.23 ! nc
assign ( resid 6 and name H1' )( resid 6 and name H2' ) 3.16 0.71 0.71 ! nc
assign ( resid 6 and name H6 )( resid 5 and name H2'' ) 2.72 0.42 0.43 ! lb=2.5
! assign ( resid 6 and name H5# )( resid 6 and name H2'' ) 3.14 0.56 0.56 ! OFF
assign ( resid 6 and name H1' )( resid 6 and name H2'' ) 2.25 0.23 0.23 ! nc
assign ( resid 6 and name H1' )( resid 6 and name H3' ) 2.96 1.09 1.09 ! ub+0.5
! assign ( resid 6 and name H6 )( resid 5 and name H4' ) 3.87 1.27 1.27 ! OFF
assign ( resid 6 and name H1' )( resid 7 and name H4' ) 4.60 0.60 0.60 ! gen
assign ( resid 6 and name H5# )( resid 6 and name H6 ) 2.49 0.46 0.46 ! ub+0.3
assign ( resid 6 and name H6 )( resid 5 and name H8 ) 5.00 0.40 0.40 ! gen
assign ( resid 6 and name H5# )( resid 5 and name H8 ) 3.94 0.85 0.85 ! ub+0.5
assign ( resid 7 and name H8 )( resid 7 and name H1' ) 3.02 0.99 1.00 ! ub+0.7
assign ( resid 7 and name H8 )( resid 6 and name H1' ) 3.04 0.96 0.96 ! ub
assign ( resid 7 and name H8 )( resid 6 and name H2' ) 3.89 0.49 0.49 ! nc
assign ( resid 7 and name H8 )( resid 7 and name H4' ) 5.34 0.71 0.71 ! nc
assign ( resid 7 and name H8 )( resid 6 and name H6 ) 5.00 0.40 0.40 ! gen
assign ( resid 8 and name H6 )( resid 8 and name H1' ) 2.96 1.09 1.09 ! ub+0.7
assign ( resid 8 and name H6 )( resid 7 and name H1' ) 3.00 0.83 0.82 ! ub+0.5
assign ( resid 8 and name H6 )( resid 8 and name H2' ) 2.33 0.21 0.21 ! nc
assign ( resid 8 and name H1' )( resid 8 and name H2' ) 3.05 0.54 0.55 ! nc
! assign ( resid 8 and name H5# )( resid 8 and name H2'' ) 3.72 0.56 0.56 ! OFF
assign ( resid 8 and name H1' )( resid 8 and name H2'' ) 2.24 0.18 0.18 ! nc
assign ( resid 8 and name H1' )( resid 8 and name H3' ) 3.04 1.07 1.08 ! ub+0.5
assign ( resid 8 and name H6 )( resid 8 and name H4' ) 3.82 0.89 0.88 ! ub+1.0
! assign ( resid 8 and name H6 )( resid 7 and name H4' ) 4.03 0.99 0.99 ! OFF
assign ( resid 8 and name H1' )( resid 8 and name H4' ) 3.44 1.02 1.02 ! ub+1.0
assign ( resid 8 and name H1' )( resid 9 and name H4' ) 4.60 0.60 0.60 ! gen
assign ( resid 8 and name H6 )( resid 9 and name H5 ) 3.99 0.75 0.75 ! nc
assign ( resid 8 and name H5# )( resid 8 and name H6 ) 2.50 0.29 0.29 ! nc
assign ( resid 8 and name H5# )( resid 7 and name H8 ) 3.73 0.79 0.79 ! ub+1.0
assign ( resid 9 and name H6 )( resid 9 and name H1' ) 3.17 1.00 1.00 ! ub+0.7
assign ( resid 9 and name H6 )( resid 8 and name H1' ) 3.43 0.67 0.67 ! nc
assign ( resid 9 and name H5 )( resid 8 and name H1' ) 3.05 0.85 0.85 ! nc
assign ( resid 9 and name H1' )( resid 9 and name H2' ) 3.04 0.61 0.61 ! nc
assign ( resid 9 and name H1' )( resid 10 and name H4' ) 4.60 0.60 0.60 ! gen
assign ( resid 9 and name H6 )( resid 8 and name H6 ) 5.00 0.40 0.40 ! gen
! assign ( resid 9 and name H5 )( resid 8 and name H5# ) 4.12 0.86 0.86 ! OFF
assign ( resid 10 and name H6 )( resid 10 and name H1' ) 2.90 0.97 0.98 ! ub+0.7
assign ( resid 10 and name H6 )( resid 9 and name H1' ) 3.64 0.63 0.63 ! nc
assign ( resid 10 and name H5 )( resid 9 and name H1' ) 3.43 0.81 0.81 ! nc
assign ( resid 11 and name H1' )( resid 11 and name H3' ) 3.31 0.73 0.73 ! ub+0.5
assign ( resid 11 and name H8 )( resid 10 and name H6 ) 5.00 0.40 0.40 ! gen
assign ( resid 12 and name H5 )( resid 11 and name H1' ) 3.19 0.90 0.90 ! nc
assign ( resid 12 and name H5 )( resid 11 and name H3' ) 5.02 0.56 0.56 ! nc
! assign ( resid 12 and name H6 )( resid 11 and name H4' ) 4.04 0.94 0.94 ! OFF
assign ( resid 13 and name H8 )( resid 13 and name H1' ) 3.73 1.29 1.29 ! ub+0.7
assign ( resid 13 and name H1' )( resid 13 and name H2'' ) 2.27 0.25 0.25 ! nc
assign ( resid 13 and name H1' )( resid 13 and name H3' ) 3.80 1.04 1.04 ! ub+0.5
assign ( resid 13 and name H2' )( resid 13 and name H3' ) 2.41 0.17 0.16 ! nc
assign ( resid 13 and name H8 )( resid 12 and name H6 ) 5.00 0.40 0.40 ! gen
assign ( resid 14 and name H6 )( resid 14 and name H1' ) 3.64 0.99 0.99 ! ub+0.7
assign ( resid 14 and name H6 )( resid 14 and name H2' ) 2.65 0.40 0.40 ! nc
assign ( resid 14 and name H6 )( resid 14 and name H3' ) 3.21 1.12 1.12 ! ub+1.2
assign ( resid 14 and name H1' )( resid 14 and name H3' ) 3.09 1.04 1.04 ! ub+0.5
assign ( resid 14 and name H1' )( resid 15 and name H3' ) 4.89 1.11 1.11 ! ub=6
assign ( resid 14 and name H2' )( resid 14 and name H3' ) 2.53 0.23 0.23 ! nc
assign ( resid 14 and name H6 )( resid 14 and name H4' ) 3.96 1.02 1.01 ! ub+0.5
assign ( resid 14 and name H2' )( resid 14 and name H5 ) 3.60 1.40 1.40 ! ub+1.5
assign (( resid 14 and name H5' ) or ( resid 14 and name H5'' ))
( resid 14 and name H5 ) 5.03 1.54 1.53 ! ub+1.0
! assign ( resid 14 and name H1' )( resid 15 and name H5'' ) 3.79 1.39 1.38 ! OFF
assign (( resid 14 and name H5' ) or ( resid 14 and name H5'' ))
( resid 14 and name H6 ) 3.41 0.98 0.98 ! nc
assign (( resid 14 and name H5' ) or ( resid 14 and name H5'' ))
( resid 14 and name H1' ) 3.85 1.02 1.02 ! nc
assign (( resid 14 and name H5' ) or ( resid 14 and name H5'' ))
( resid 14 and name H2' ) 3.54 0.87 0.87 ! ub+0.5
assign (( resid 14 and name H5' ) or ( resid 14 and name H5'' ))
( resid 14 and name H2'' ) 4.11 0.60 0.59 ! nc
assign (( resid 14 and name H5' ) or ( resid 14 and name H5'' ))
( resid 14 and name H3' ) 2.96 0.94 0.94 ! ub+1.0
assign ( resid 15 and name H8 )( resid 15 and name H1' ) 2.91 1.11 1.11 ! ub+0.7
assign ( resid 15 and name H8 )( resid 15 and name H3' ) 3.47 1.01 1.01 ! ub+1.0
assign ( resid 15 and name H1' )( resid 15 and name H3' ) 3.41 0.72 0.72 ! ub+0.5
assign ( resid 15 and name H8 )( resid 15 and name H4' ) 4.71 0.80 0.80 ! nc
assign ( resid 15 and name H8 )( resid 16 and name H5 ) 3.25 0.57 0.57 ! nc
assign ( resid 15 and name H8 )( resid 15 and name H5'' ) 3.63 1.01 1.01 ! nc
assign ( resid 15 and name H8 )( resid 14 and name H6 ) 5.00 0.40 0.40 ! gen
! assign ( resid 15 and name H8 )( resid 14 and name Q5' ) 4.83 1.00 1.00 ! OFF
assign ( resid 16 and name H5 )( resid 15 and name H1' ) 3.06 0.85 0.85 ! nc
assign ( resid 16 and name H5 )( resid 15 and name H3' ) 4.33 1.19 1.18 ! nc
! assign ( resid 16 and name H6 )( resid 15 and name H4' ) 3.91 0.84 0.84 ! OFF
assign ( resid 16 and name H1' )( resid 17 and name H4' ) 4.60 0.60 0.60 ! gen
assign ( resid 16 and name H6 )( resid 15 and name H8 ) 5.00 0.40 0.40 ! gen
assign ( resid 17 and name H8 )( resid 17 and name H1' ) 2.96 1.13 1.13 ! ub+0.7
assign ( resid 17 and name H8 )( resid 16 and name H1' ) 3.38 0.75 0.75 ! nc
assign ( resid 17 and name H8 )( resid 16 and name H2' ) 3.92 0.52 0.53 ! nc
assign ( resid 17 and name H8 )( resid 16 and name H2'' ) 3.19 0.90 0.90 ! lb=2.5
assign ( resid 17 and name H8 )( resid 17 and name H4' ) 4.08 1.00 1.00 ! nc
assign ( resid 17 and name H1' )( resid 17 and name H4' ) 3.39 0.77 0.77 ! ub+1.0
assign ( resid 17 and name H1' )( resid 18 and name H4' ) 4.60 0.60 0.60 ! gen
assign ( resid 17 and name H8 )( resid 17 and name H5'' ) 4.44 1.34 1.34 ! nc
assign ( resid 18 and name H8 )( resid 17 and name H2' ) 3.95 0.55 0.55 ! gen
assign ( resid 18 and name H8 )( resid 17 and name H2'' ) 3.15 0.85 0.85 ! gen
assign ( resid 18 and name H8 )( resid 17 and name H3' ) 4.75 0.65 0.65 ! gen
assign ( resid 18 and name H8 )( resid 18 and name H4' ) 4.68 0.74 0.74 ! nc
assign ( resid 18 and name H1' )( resid 19 and name H4' ) 4.18 0.92 0.92 ! ub=5.1
assign ( resid 19 and name H8 )( resid 19 and name H1' ) 3.55 0.99 1.00 ! ub+0.7
assign ( resid 19 and name H8 )( resid 18 and name H1' ) 3.22 0.87 0.87 ! ub+1.0
assign ( resid 19 and name H2 )( resid 9 and name H1' ) 4.63 0.92 0.92 ! ub+1.5
assign ( resid 19 and name H2 )( resid 19 and name H1' ) 5.19 0.56 0.56 ! nc
assign ( resid 19 and name H2 )( resid 20 and name H1' ) 4.21 0.62 0.62 ! ub+1.0
assign ( resid 19 and name H8 )( resid 19 and name H2'' ) 2.96 0.61 0.62 ! ub+0.5
assign ( resid 19 and name H1' )( resid 19 and name H2'' ) 2.26 0.17 0.18 ! nc
assign ( resid 19 and name H8 )( resid 19 and name H3' ) 3.44 1.00 1.00 ! ub+1.2
assign ( resid 19 and name H1' )( resid 19 and name H3' ) 3.06 1.06 1.06 ! ub+0.5
assign ( resid 19 and name H8 )( resid 19 and name H4' ) 4.20 0.71 0.71 ! nc
assign ( resid 19 and name H1' )( resid 20 and name H4' ) 4.60 0.60 0.60 ! gen
assign ( resid 19 and name H2' )( resid 19 and name H4' ) 4.30 1.03 1.03 ! ub+1.0
assign ( resid 19 and name H2'' )( resid 19 and name H4' ) 3.18 1.12 1.12 ! ub+1.0
assign ( resid 19 and name H8 )( resid 20 and name H5 ) 3.61 0.40 0.40 ! nc
assign ( resid 19 and name H8 )( resid 18 and name H8 ) 5.00 0.40 0.40 ! gen
assign ( resid 20 and name H6 )( resid 20 and name H1' ) 3.13 0.98 0.99 ! ub+0.7
assign ( resid 20 and name H6 )( resid 19 and name H1' ) 3.33 0.73 0.72 ! ub
assign ( resid 20 and name H1' )( resid 19 and name H1' ) 5.08 0.57 0.57 ! nc
assign ( resid 20 and name H6 )( resid 20 and name H2' ) 2.35 0.23 0.23 ! nc
assign ( resid 20 and name H6 )( resid 19 and name H2' ) 3.67 0.27 0.27 ! ub+0.5
assign ( resid 20 and name H6 )( resid 20 and name H2'' ) 3.41 0.76 0.75 ! ub+0.5
assign ( resid 20 and name H6 )( resid 19 and name H2'' ) 2.57 0.27 0.27 ! lb=2.5
assign ( resid 20 and name H1' )( resid 20 and name H4' ) 2.84 0.65 0.66 ! ub+1.0
assign ( resid 20 and name H1' )( resid 21 and name H4' ) 4.60 0.60 0.60 ! gen
assign ( resid 20 and name H2' )( resid 20 and name H5 ) 3.29 1.30 1.29 ! ub+1.5
assign ( resid 20 and name H2'' )( resid 20 and name H5 ) 4.33 1.38 1.38 ! ub=5.7
assign ( resid 20 and name H6 )( resid 19 and name H8 ) 5.00 0.40 0.40 ! gen
assign ( resid 21 and name H8 )( resid 21 and name H1' ) 3.50 0.96 0.96 ! ub+0.7
assign ( resid 21 and name H8 )( resid 20 and name H1' ) 3.06 0.60 0.60 ! nc
assign ( resid 21 and name H2 )( resid 21 and name H1' ) 5.15 0.61 0.62 ! nc
assign ( resid 21 and name H2 )( resid 22 and name H1' ) 4.08 0.67 0.67 ! ub+1.0
assign ( resid 21 and name H1' )( resid 20 and name H1' ) 4.84 0.67 0.67 ! nc
assign ( resid 21 and name H8 )( resid 21 and name H2' ) 2.16 0.18 0.17 ! nc
assign ( resid 21 and name H8 )( resid 20 and name H2' ) 3.85 0.45 0.45 ! nc
assign ( resid 21 and name H8 )( resid 21 and name H2'' ) 2.99 0.67 0.67 ! ub+0.7
assign ( resid 21 and name H8 )( resid 20 and name H2'' ) 2.84 0.54 0.54 ! lb=2.5
assign ( resid 21 and name H1' )( resid 21 and name H2'' ) 2.17 0.18 0.18 ! nc
assign ( resid 21 and name H8 )( resid 21 and name H3' ) 3.50 1.08 1.08 ! ub+1.0
assign ( resid 21 and name H8 )( resid 20 and name H3' ) 4.09 0.95 0.96 ! ub+0.4
assign ( resid 21 and name H1' )( resid 21 and name H3' ) 3.18 0.86 0.87 ! ub+0.5
assign ( resid 21 and name H1' )( resid 22 and name H3' ) 5.10 0.90 0.90 ! ub=6
assign ( resid 21 and name H8 )( resid 21 and name H4' ) 4.11 0.88 0.88 ! ub+0.3
assign ( resid 21 and name H1' )( resid 22 and name H4' ) 4.60 0.60 0.60 ! gen
assign ( resid 21 and name H2'' )( resid 21 and name H4' ) 3.89 1.10 1.10 ! ub+1.0
assign ( resid 21 and name H8 )( resid 22 and name H5 ) 3.53 0.48 0.48 ! nc
assign ( resid 21 and name H8 )( resid 20 and name H6 ) 5.00 0.40 0.40 ! gen
assign ( resid 22 and name H6 )( resid 22 and name H1' ) 3.12 0.93 0.92 ! ub+0.7
assign ( resid 22 and name H6 )( resid 21 and name H1' ) 3.32 0.64 0.63 ! ub+0.5
assign ( resid 22 and name H1' )( resid 22 and name H3' ) 3.17 1.15 1.14 ! ub+0.5
assign ( resid 22 and name H1' )( resid 23 and name H4' ) 4.60 0.60 0.60 ! gen
assign ( resid 22 and name H6 )( resid 23 and name H5 ) 3.24 0.66 0.65 ! nc
assign ( resid 22 and name H2' )( resid 22 and name H5 ) 3.35 1.34 1.34 ! ub+1.5
assign ( resid 22 and name H2'' )( resid 22 and name H5 ) 4.24 1.47 1.46 ! ub=5.7
assign ( resid 22 and name H6 )( resid 21 and name H8 ) 5.00 0.40 0.40 ! gen
assign ( resid 23 and name H6 )( resid 22 and name H1' ) 3.01 0.63 0.63 ! nc
assign ( resid 23 and name H5 )( resid 22 and name H1' ) 3.59 0.95 0.95 ! nc
! assign ( resid 23 and name H5 )( resid 22 and name H5 ) 4.32 0.62 0.62 ! OFF
assign ( resid 24 and name H1' )( resid 24 and name H3' ) 3.27 0.77 0.77 ! ub+0.5
assign ( resid 24 and name H8 )( resid 23 and name H6 ) 5.00 0.40 0.40 ! gen
assign ( resid 25 and name H5 )( resid 24 and name H1' ) 3.29 0.88 0.88 ! nc
assign ( resid 25 and name H5 )( resid 24 and name H3' ) 5.01 0.64 0.64 ! nc
! assign ( resid 25 and name H6 )( resid 24 and name H4' ) 3.92 0.96 0.96 ! OFF
assign ( resid 26 and name H8 )( resid 26 and name H1' ) 3.90 1.29 1.29 ! ub+0.7
assign ( resid 26 and name H1' )( resid 26 and name H2'' ) 2.21 0.23 0.23 ! nc
assign ( resid 26 and name H1' )( resid 26 and name H3' ) 3.90 1.06 1.06 ! ub+0.5
assign ( resid 26 and name H2' )( resid 26 and name H3' ) 2.39 0.16 0.16 ! nc
assign ( resid 26 and name H8 )( resid 25 and name H6 ) 5.00 0.40 0.40 ! gen
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