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 |
|
|
4195 |
1exl   |
cing | 1-original | 1 | XPLOR/CNS | distance | NOE | simple |
!!!!!!!!!!!! H 1 ' , H 5 --- H 2 ' , 2 ' ' !!!!!!!!!!!!!
!$noe_dev_long= 0.8 Angstroms
!$noe_dev_short=0.6 Angstroms
!$noe_dev_xtra= 0.8 Angstroms
! cen_larg
assign ( resid 7 and name H1' and segid STR2 )
( resid 7 and name H2' and segid STR2 ) 3.610 $noe_dev_long $noe_dev_long
! cen_norm
assign ( resid 5 and name H1' and segid STR2 )
( resid 5 and name H2' and segid STR2 ) 3.135 $noe_dev_long $noe_dev_long
assign ( resid 4 and name H2'' and segid STR2 )
( resid 5 and name H5 and segid STR2 ) 3.505 $noe_dev_long $noe_dev_long
! cen_small
assign ( resid 5 and name H1' and segid STR2 )
( resid 5 and name H2'' and segid STR2 ) 2.315 $noe_dev_shrt $noe_dev_shrt
assign ( resid 7 and name H1' and segid STR2 )
( resid 7 and name H2'' and segid STR2 ) 2.375 $noe_dev_shrt $noe_dev_shrt
! next_small
assign ( resid 9 and name H1' and segid STR1 )
( resid 9 and name H2'' and segid STR1 ) 2.280 $noe_dev_shrt $noe_dev_shrt
assign ( resid 10 and name H1' and segid STR1 )
( resid 10 and name H2'' and segid STR1 ) 2.080 $noe_dev_shrt $noe_dev_shrt
assign ( resid 10 and name H1' and segid STR1 )
( resid 10 and name H2' and segid STR1 ) 2.725 $noe_dev_shrt $noe_dev_shrt
assign ( resid 1 and name H1' and segid STR2 )
( resid 1 and name H2'' and segid STR2 ) 2.165 $noe_dev_shrt $noe_dev_shrt
assign ( resid 2 and name H1' and segid STR2 )
( resid 2 and name H2'' and segid STR2 ) 2.045 $noe_dev_shrt $noe_dev_shrt
assign ( resid 9 and name H2' and segid STR1 )
( resid 9 and name H1' and segid STR1 ) 2.945 $noe_dev_shrt $noe_dev_shrt
assign ( resid 8 and name H2'' and segid STR1 )
( resid 9 and name H5 and segid STR1 ) 2.935 $noe_dev_shrt $noe_dev_shrt
! prev_norm
assign ( resid 4 and name H2' and segid STR1 )
( resid 4 and name H1' and segid STR1 ) 3.575 $noe_dev_long $noe_dev_long
! prev_small
assign ( resid 1 and name H1' and segid STR1 )
( resid 1 and name H2'' and segid STR1 ) 2.610 $noe_dev_shrt $noe_dev_shrt
assign ( resid 2 and name H1' and segid STR1 )
( resid 2 and name H2'' and segid STR1 ) 2.165 $noe_dev_shrt $noe_dev_shrt
assign ( resid 4 and name H1' and segid STR1 )
( resid 4 and name H2'' and segid STR1 ) 2.345 $noe_dev_shrt $noe_dev_shrt
assign ( resid 11 and name H1' and segid STR2 )
( resid 11 and name H2'' and segid STR2 ) 2.430 $noe_dev_shrt $noe_dev_shrt
!!!!!!!!!!!!!!!!!!!! H 1 ' --- H 3 ' !!!!!!!!!!!!!!!!!!!!!!
! next_norm
assign ( resid 9 and name H1' and segid STR1 )
( resid 9 and name H3' and segid STR1 ) 4.190 $noe_dev_long $noe_dev_long
assign ( resid 11 and name H1' and segid STR1 )
( resid 11 and name H3' and segid STR1 ) 4.005 $noe_dev_long $noe_dev_long
! next_small
assign ( resid 10 and name H1' and segid STR1 )
( resid 10 and name H3' and segid STR1 ) 4.135 $noe_dev_shrt $noe_dev_shrt
assign ( resid 2 and name H1' and segid STR2 )
( resid 2 and name H3' and segid STR2 ) 3.850 $noe_dev_shrt $noe_dev_shrt
! prev_small
assign ( resid 4 and name H1' and segid STR1 )
( resid 4 and name H3' and segid STR1 ) 4.135 $noe_dev_shrt $noe_dev_shrt
!!!!!!!!!!!!!!!!! B A S E --- H 1 ' , H 3 ' !!!!!!!!!!!!!!!!!!
! cen_norm
assign ( resid 5 and name H5 and segid STR2 )
( resid 4 and name H8 and segid STR2 ) 3.730 $noe_dev_long $noe_dev_long
assign ( resid 7 and name H5 and segid STR2 )
( resid 6 and name H6 and segid STR2 ) 4.655 $noe_dev_long $noe_dev_long
assign ( resid 5 and name H6 and segid STR2 )
( resid 5 and name H1' and segid STR2 ) 3.625 $noe_dev_long $noe_dev_long
assign ( resid 6 and name H1' and segid STR1 )
( resid 6 and name H8 and segid STR1 ) 4.000 $noe_dev_long $noe_dev_long
!no way that h1'-h8 is 4.97 A long
!err ( resid 6 and name H8 and segid STR1 ) 4.970 $noe_dev_long $noe_dev_long
! cen_small
assign ( resid 6 and name H1' and segid STR2 )
( resid 6 and name H6 and segid STR2 ) 4.030 $noe_dev_shrt $noe_dev_shrt
assign ( resid 7 and name H8 and segid STR1 )
( resid 7 and name H1' and segid STR1 ) 4.240 $noe_dev_shrt $noe_dev_shrt
assign ( resid 6 and name H1' and segid STR1 )
( resid 6 and name H2 and segid STR1 ) 5.000 $noe_dev_long $noe_dev_long
!err ( resid 6 and name H2 and segid STR1 ) 5.475 $noe_dev_shrt $noe_dev_shrt
assign ( resid 7 and name H1' and segid STR1 )
( resid 6 and name H2 and segid STR1 ) 4.070 $noe_dev_shrt $noe_dev_shrt
! next_norm
assign ( resid 11 and name H6 and segid STR1 )
( resid 11 and name H1' and segid STR1 ) 4.045 $noe_dev_long $noe_dev_long
assign ( resid 11 and name H1' and segid STR1 )
( resid 10 and name H2 and segid STR1 ) 3.925 $noe_dev_long $noe_dev_long
! next_small
assign ( resid 11 and name H3' and segid STR1 )
( resid 11 and name H6 and segid STR1 ) 3.505 $noe_dev_shrt $noe_dev_shrt
assign ( resid 10 and name H8 and segid STR1 )
( resid 11 and name H5 and segid STR1 ) 3.860 $noe_dev_shrt $noe_dev_shrt
assign ( resid 8 and name H6 and segid STR1 )
( resid 8 and name H1' and segid STR1 ) 3.725 $noe_dev_shrt $noe_dev_shrt
assign ( resid 10 and name H1' and segid STR1 )
( resid 10 and name H2 and segid STR1 ) 4.850 $noe_dev_shrt $noe_dev_shrt
assign ( resid 4 and name H1' and segid STR2 )
( resid 4 and name H2 and segid STR2 ) 4.850 $noe_dev_shrt $noe_dev_shrt
! prev_norm
assign ( resid 2 and name H1' and segid STR1 )
( resid 2 and name H8 and segid STR1 ) 4.000 $noe_dev_long $noe_dev_long
!no way that h1'-h8 is 4.97 A long
!err ( resid 2 and name H8 and segid STR1 ) 5.080 $noe_dev_long $noe_dev_long
assign ( resid 3 and name H1' and segid STR1 )
( resid 3 and name H8 and segid STR1 ) 4.000 $noe_dev_long $noe_dev_long
!no way that h1'-h8 is 4.97 A long
!err ( resid 3 and name H8 and segid STR1 ) 4.970 $noe_dev_long $noe_dev_long
assign ( resid 11 and name H1' and segid STR2 )
( resid 11 and name H8 and segid STR2 ) 4.525 $noe_dev_long $noe_dev_long
assign ( resid 2 and name H1' and segid STR1 )
( resid 2 and name H2 and segid STR1 ) 5.000 $noe_dev_long $noe_dev_long
!err ( resid 2 and name H2 and segid STR1 ) 5.380 $noe_dev_long $noe_dev_long
! prev_small
assign ( resid 3 and name H3' and segid STR1 )
( resid 4 and name H6 and segid STR1 ) 5.000 $noe_dev_long $noe_dev_long
!err ( resid 4 and name H6 and segid STR1 ) 5.785 $noe_dev_shrt $noe_dev_shrt
assign ( resid 8 and name H8 and segid STR2 )
( resid 9 and name H5 and segid STR2 ) 3.555 $noe_dev_shrt $noe_dev_shrt
assign ( resid 1 and name H1' and segid STR1 )
( resid 1 and name H6 and segid STR1 ) 3.380 $noe_dev_shrt $noe_dev_shrt
assign ( resid 4 and name H1' and segid STR1 )
( resid 4 and name H6 and segid STR1 ) 3.510 $noe_dev_shrt $noe_dev_shrt
assign ( resid 3 and name H1' and segid STR1 )
( resid 2 and name H2 and segid STR1 ) 4.070 $noe_dev_shrt $noe_dev_shrt
assign ( resid 8 and name H2 and segid STR2 )
( resid 9 and name H1' and segid STR2 ) 4.240 $noe_dev_shrt $noe_dev_shrt
assign ( resid 8 and name H1' and segid STR2 )
( resid 8 and name H2 and segid STR2 ) 5.000 $noe_dev_long $noe_dev_long
!err ( resid 8 and name H2 and segid STR2 ) 5.300 $noe_dev_shrt $noe_dev_shrt
!!!!!!!!!!! B A S E --- H 2 ' , 2 ' ' , C H 3 ' !!!!!!!!!!!!!
! cen_small
assign ( resid 6 and name H5# and segid STR2 )
( resid 5 and name H6 and segid STR2 ) 3.420 $noe_dev_shrt $noe_dev_shrt
assign ( resid 7 and name H8 and segid STR1 )
( resid 8 and name H5# and segid STR1 ) 3.495 $noe_dev_shrt $noe_dev_shrt
assign ( resid 4 and name H2' and segid STR1 )
( resid 5 and name H8 and segid STR1 ) 3.645 $noe_dev_shrt $noe_dev_shrt
assign ( resid 7 and name H2'' and segid STR1 )
( resid 8 and name H6 and segid STR1 ) 2.345 $noe_dev_shrt $noe_dev_shrt
assign ( resid 4 and name H2'' and segid STR2 )
( resid 5 and name H6 and segid STR2 ) 2.135 $noe_dev_shrt $noe_dev_shrt
assign ( resid 5 and name H2' and segid STR2 )
( resid 5 and name H6 and segid STR2 ) 2.090 $noe_dev_shrt $noe_dev_shrt
assign ( resid 6 and name H2' and segid STR2 )
( resid 6 and name H6 and segid STR2 ) 1.670 $noe_dev_shrt $noe_dev_shrt
assign ( resid 6 and name H2'' and segid STR2 )
( resid 7 and name H6 and segid STR2 ) 2.200 $noe_dev_shrt $noe_dev_shrt
assign ( resid 7 and name H2' and segid STR2 )
( resid 7 and name H6 and segid STR2 ) 1.655 $noe_dev_shrt $noe_dev_shrt
assign ( resid 7 and name H2'' and segid STR2 )
( resid 7 and name H6 and segid STR2 ) 3.210 $noe_dev_shrt $noe_dev_shrt
! next_norm
assign ( resid 10 and name H2' and segid STR1 )
( resid 11 and name H6 and segid STR1 ) 3.290 $noe_dev_long $noe_dev_long
assign ( resid 3 and name H2'' and segid STR2 )
( resid 3 and name H8 and segid STR2 ) 4.210 $noe_dev_long $noe_dev_long
! next_small
assign ( resid 8 and name H2' and segid STR1 )
( resid 8 and name H6 and segid STR1 ) 1.680 $noe_dev_shrt $noe_dev_shrt
assign ( resid 8 and name H2'' and segid STR1 )
( resid 9 and name H6 and segid STR1 ) 2.300 $noe_dev_shrt $noe_dev_shrt
assign ( resid 10 and name H2'' and segid STR1 )
( resid 11 and name H6 and segid STR1 ) 2.345 $noe_dev_shrt $noe_dev_shrt
assign ( resid 3 and name H2' and segid STR2 )
( resid 3 and name H8 and segid STR2 ) 2.195 $noe_dev_shrt $noe_dev_shrt
assign ( resid 4 and name H2' and segid STR2 )
( resid 4 and name H8 and segid STR2 ) 1.855 $noe_dev_shrt $noe_dev_shrt
! prev_small
assign ( resid 4 and name H5# and segid STR1 )
( resid 3 and name H8 and segid STR1 ) 3.760 $noe_dev_shrt $noe_dev_shrt
assign ( resid 1 and name H2' and segid STR1 )
( resid 1 and name H6 and segid STR1 ) 2.090 $noe_dev_shrt $noe_dev_shrt
assign ( resid 2 and name H2'' and segid STR1 )
( resid 3 and name H8 and segid STR1 ) 2.620 $noe_dev_shrt $noe_dev_shrt
assign ( resid 3 and name H2' and segid STR1 )
( resid 3 and name H8 and segid STR1 ) 2.225 $noe_dev_shrt $noe_dev_shrt
assign ( resid 3 and name H2'' and segid STR1 )
( resid 4 and name H6 and segid STR1 ) 2.325 $noe_dev_shrt $noe_dev_shrt
assign ( resid 4 and name H2' and segid STR1 )
( resid 4 and name H6 and segid STR1 ) 1.795 $noe_dev_shrt $noe_dev_shrt
assign ( resid 2 and name H2' and segid STR1 )
( resid 3 and name H8 and segid STR1 ) 3.755 $noe_dev_shrt $noe_dev_shrt
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
! Here I'm adding 0.5 Angstrom to all dists.
!remarks FILE:: dar_300ms_cen_small
!remarks id=11 center=6 model=dar_300ms
!remarks: d
!remarks base --- 3' 5
assign ( resid 5 and name H6 and segid STR2 )
( resid 4 and name H3' and segid STR2 ) 4.385 $noe_dev_xtra $noe_dev_xtra
! ( resid 4 and name H3' and segid STR2 ) 3.885 $noe_dev_xtra $noe_dev_xtra
assign ( resid 5 and name H3' and segid STR2 )
( resid 6 and name H6 and segid STR2 ) 4.225 $noe_dev_xtra $noe_dev_xtra
! ( resid 6 and name H6 and segid STR2 ) 3.725 $noe_dev_xtra $noe_dev_xtra
!remarks: e
!remarks base --- 1'
!Taken off because the dist is in dar_Bform_violations.noe
!assign ( resid 4 and name H1' and segid STR2 )
! ( resid 5 and name H6 and segid STR2 ) 3.465 $noe_dev_xtra $noe_dev_xtra
! ( resid 5 and name H6 and segid STR2 ) 2.965 $noe_dev_xtra $noe_dev_xtra
!remarks: f
!remarks base --- base
assign ( resid 5 and name H8 and segid STR1 )
( resid 4 and name H6 and segid STR1 ) 5.145 $noe_dev_xtra $noe_dev_xtra
! ( resid 4 and name H6 and segid STR1 ) 4.645 $noe_dev_xtra $noe_dev_xtra
!remarks: j
!remarks 1' --- 3' 5
!remarks: k
!remarks 1' --- 1'
!remarks: l
!remarks 5 --- CH3
assign ( resid 6 and name H5# and segid STR2 )
( resid 5 and name H5 and segid STR2 ) 4.395 $noe_dev_xtra $noe_dev_xtra
! ( resid 5 and name H5 and segid STR2 ) 3.895 $noe_dev_xtra $noe_dev_xtra
assign ( resid 7 and name H5 and segid STR2 )
( resid 6 and name H5# and segid STR2 ) 4.520 $noe_dev_xtra $noe_dev_xtra
! ( resid 6 and name H5# and segid STR2 ) 4.020 $noe_dev_xtra $noe_dev_xtra
!remarks: m
!remarks 5 --- 2' 2''
!remarks: *
!remarks any --- other
assign ( resid 6 and name HX'' and segid STR1 )
( resid 6 and name H8 and segid STR1 ) 3.255 $noe_dev_xtra $noe_dev_xtra
! ( resid 6 and name H8 and segid STR1 ) 2.755 $noe_dev_xtra $noe_dev_xtra
!remarks FILE:: dar_300ms_next_small
!remarks id=11 center=6 model=dar_300ms
!remarks: d
!remarks base --- 3' 5
assign ( resid 11 and name H6 and segid STR1 )
( resid 11 and name H3' and segid STR1 ) 4.030 $noe_dev_xtra $noe_dev_xtra
! ( resid 11 and name H3' and segid STR1 ) 3.530 $noe_dev_xtra $noe_dev_xtra
assign ( resid 10 and name H3' and segid STR1 )
( resid 11 and name H6 and segid STR1 ) 4.515 $noe_dev_xtra $noe_dev_xtra
! ( resid 11 and name H6 and segid STR1 ) 4.015 $noe_dev_xtra $noe_dev_xtra
assign ( resid 3 and name H3' and segid STR2 )
( resid 3 and name H8 and segid STR2 ) 4.180 $noe_dev_xtra $noe_dev_xtra
! ( resid 3 and name H8 and segid STR2 ) 3.680 $noe_dev_xtra $noe_dev_xtra
!remarks: e
!remarks base --- 1'
!remarks: f
!remarks base --- base
assign ( resid 9 and name H6 and segid STR1 )
( resid 8 and name H6 and segid STR1 ) 5.160 $noe_dev_xtra $noe_dev_xtra
! ( resid 8 and name H6 and segid STR1 ) 4.660 $noe_dev_xtra $noe_dev_xtra
!remarks: h
!remarks 1' --- 2' 2''
assign ( resid 2 and name H2' and segid STR2 )
( resid 2 and name H1' and segid STR2 ) 2.800 $noe_dev_xtra $noe_dev_xtra
! ( resid 2 and name H1' and segid STR2 ) 2.300 $noe_dev_xtra $noe_dev_xtra
assign ( resid 1 and name H1' and segid STR2 )
( resid 1 and name H2'' and segid STR2 ) 2.510 $noe_dev_xtra $noe_dev_xtra
! ( resid 1 and name H2'' and segid STR2 ) 2.010 $noe_dev_xtra $noe_dev_xtra
!remarks: i
!remarks 1' --- 4' 5' 5''
assign ( resid 10 and name H1' and segid STR1 )
( resid 10 and name H4' and segid STR1 ) 3.390 $noe_dev_xtra $noe_dev_xtra
! ( resid 10 and name H4' and segid STR1 ) 2.890 $noe_dev_xtra $noe_dev_xtra
assign ( resid 4 and name H1' and segid STR2 )
( resid 4 and name H4' and segid STR2 ) 3.375 $noe_dev_xtra $noe_dev_xtra
! ( resid 4 and name H4' and segid STR2 ) 2.875 $noe_dev_xtra $noe_dev_xtra
!remarks: j
!remarks 1' --- 3' 5
assign ( resid 11 and name H3' and segid STR1 )
( resid 11 and name H1' and segid STR1 ) 4.040 $noe_dev_xtra $noe_dev_xtra
! ( resid 11 and name H1' and segid STR1 ) 3.540 $noe_dev_xtra $noe_dev_xtra
assign ( resid 2 and name H3' and segid STR2 )
( resid 2 and name H1' and segid STR2 ) 4.245 $noe_dev_xtra $noe_dev_xtra
! ( resid 2 and name H1' and segid STR2 ) 3.745 $noe_dev_xtra $noe_dev_xtra
!remarks: k
!remarks 1' --- 1'
!remarks: l
!remarks 5 --- CH3
assign ( resid 8 and name H5# and segid STR1 )
( resid 9 and name H5 and segid STR1 ) 4.605 $noe_dev_xtra $noe_dev_xtra
! ( resid 9 and name H5 and segid STR1 ) 4.105 $noe_dev_xtra $noe_dev_xtra
!remarks: p
!remarks 3' --- 4' 5' 5''
!remarks: *
!remarks any --- other
assign ( resid 11 and name H1' and segid STR1 )
( resid 10 and name H2 and segid STR1 ) 4.450 $noe_dev_xtra $noe_dev_xtra
! ( resid 10 and name H2 and segid STR1 ) 3.950 $noe_dev_xtra $noe_dev_xtra
assign ( resid 10 and name H1' and segid STR1 )
( resid 10 and name H2 and segid STR1 ) 4.565 $noe_dev_xtra $noe_dev_xtra
! ( resid 10 and name H2 and segid STR1 ) 4.065 $noe_dev_xtra $noe_dev_xtra
!Taken off. It's present in dar_d2o.noe
!assign ( resid 4 and name H1' and segid STR2 )
! ( resid 4 and name H2 and segid STR2 ) 4.590 $noe_dev_xtra $noe_dev_xtra
! ( resid 4 and name H2 and segid STR2 ) 4.090 $noe_dev_xtra $noe_dev_xtra
assign ( resid 8 and name H1' and segid STR1 )
( resid 4 and name H2 and segid STR2 ) 5.545 $noe_dev_xtra $noe_dev_xtra
! ( resid 4 and name H2 and segid STR2 ) 5.045 $noe_dev_xtra $noe_dev_xtra
!remarks FILE:: dar_300ms_prev_small
!remarks id=11 center=6 model=dar_300ms
!remarks: b
!remarks base --- 2' 2''
assign ( resid 3 and name H2' and segid STR1 )
( resid 4 and name H6 and segid STR1 ) 4.140 $noe_dev_xtra $noe_dev_xtra
! ( resid 4 and name H6 and segid STR1 ) 3.640 $noe_dev_xtra $noe_dev_xtra
assign ( resid 4 and name H2'' and segid STR1 )
( resid 4 and name H6 and segid STR1 ) 3.560 $noe_dev_xtra $noe_dev_xtra
! ( resid 4 and name H6 and segid STR1 ) 3.060 $noe_dev_xtra $noe_dev_xtra
!remarks: d
!remarks base --- 3' 5
!ss B4.22. The original value was better.
!assign ( resid 3 and name H8 and segid STR1 )
! ( resid 3 and name H3' and segid STR1 ) 4.955 $noe_dev_xtra $noe_dev_xtra
! ( resid 3 and name H3' and segid STR1 ) 4.455 $noe_dev_xtra $noe_dev_xtra
assign ( resid 8 and name H3' and segid STR2 )
( resid 9 and name H6 and segid STR2 ) 4.455 $noe_dev_xtra $noe_dev_xtra
! ( resid 9 and name H6 and segid STR2 ) 3.955 $noe_dev_xtra $noe_dev_xtra
!remarks: e
!remarks base --- 1'
assign ( resid 4 and name H1' and segid STR1 )
( resid 4 and name H6 and segid STR1 ) 3.745 $noe_dev_xtra $noe_dev_xtra
! ( resid 4 and name H6 and segid STR1 ) 3.245 $noe_dev_xtra $noe_dev_xtra
!remarks: f
!remarks base --- base
assign ( resid 4 and name H6 and segid STR1 )
( resid 3 and name H8 and segid STR1 ) 4.760 $noe_dev_xtra $noe_dev_xtra
! ( resid 3 and name H8 and segid STR1 ) 4.260 $noe_dev_xtra $noe_dev_xtra
assign ( resid 2 and name H8 and segid STR1 )
( resid 3 and name H8 and segid STR1 ) 5.015 $noe_dev_xtra $noe_dev_xtra
! ( resid 3 and name H8 and segid STR1 ) 4.515 $noe_dev_xtra $noe_dev_xtra
! Alarm!!! Zero-distance!!!
!assign ( resid 10 and name H6 and segid STR2 )
! ( resid 11 and name H8 and segid STR2 ) 0.000 $noe_dev_xtra $noe_dev_xtra
! ( resid 11 and name H8 and segid STR2 ) 0.000 $noe_dev_xtra $noe_dev_xtra
!remarks: g
!remarks 1' --- CH3
!remarks: h
!remarks 1' --- 2' 2''
assign ( resid 10 and name H2' and segid STR2 )
( resid 10 and name H1' and segid STR2 ) 2.230 $noe_dev_xtra $noe_dev_xtra
! ( resid 10 and name H1' and segid STR2 ) 1.730 $noe_dev_xtra $noe_dev_xtra
assign ( resid 2 and name H1' and segid STR1 )
( resid 2 and name H2'' and segid STR1 ) 2.120 $noe_dev_xtra $noe_dev_xtra
! ( resid 2 and name H2'' and segid STR1 ) 1.620 $noe_dev_xtra $noe_dev_xtra
!remarks: i
!remarks 1' --- 4' 5' 5''
assign ( resid 3 and name H4' and segid STR1 )
( resid 3 and name H1' and segid STR1 ) 3.245 $noe_dev_xtra $noe_dev_xtra
! ( resid 3 and name H1' and segid STR1 ) 2.745 $noe_dev_xtra $noe_dev_xtra
assign ( resid 11 and name H4' and segid STR2 )
( resid 11 and name H1' and segid STR2 ) 3.485 $noe_dev_xtra $noe_dev_xtra
! ( resid 11 and name H1' and segid STR2 ) 2.985 $noe_dev_xtra $noe_dev_xtra
!remarks: j
!remarks 1' --- 3' 5
assign ( resid 3 and name H3' and segid STR1 )
( resid 3 and name H1' and segid STR1 ) 3.865 $noe_dev_xtra $noe_dev_xtra
! ( resid 3 and name H1' and segid STR1 ) 3.365 $noe_dev_xtra $noe_dev_xtra
!remarks: k
!remarks 1' --- 1'
assign ( resid 8 and name H1' and segid STR2 )
( resid 9 and name H1' and segid STR2 ) 4.250 $noe_dev_xtra $noe_dev_xtra
! ( resid 9 and name H1' and segid STR2 ) 3.750 $noe_dev_xtra $noe_dev_xtra
!remarks: l
!remarks 5 --- CH3
assign ( resid 10 and name H5# and segid STR2 )
( resid 9 and name H5 and segid STR2 ) 4.470 $noe_dev_xtra $noe_dev_xtra
! ( resid 9 and name H5 and segid STR2 ) 3.970 $noe_dev_xtra $noe_dev_xtra
!remarks: m
!remarks 5 --- 2' 2''
assign ( resid 1 and name H5 and segid STR1 )
( resid 1 and name H2' and segid STR1 ) 4.915 $noe_dev_xtra $noe_dev_xtra
! ( resid 1 and name H2' and segid STR1 ) 3.515 $noe_dev_xtra $noe_dev_xtra
!remarks: p
!remarks 3' --- 4' 5' 5''
!remarks: *
!remarks any --- other
assign ( resid 3 and name H1' and segid STR1 )
( resid 2 and name H2 and segid STR1 ) 4.405 $noe_dev_xtra $noe_dev_xtra
! ( resid 2 and name H2 and segid STR1 ) 3.905 $noe_dev_xtra $noe_dev_xtra
assign ( resid 2 and name H1' and segid STR1 )
( resid 2 and name H2 and segid STR1 ) 4.510 $noe_dev_xtra $noe_dev_xtra
! ( resid 2 and name H2 and segid STR1 ) 4.010 $noe_dev_xtra $noe_dev_xtra
!!!!!!!!!!!!!!!!!!
! B -- F O R M V I O L A T I O N S from the BUILD-UP data
!!!!!!!!!!!!!!!!!!
!ss B3.24
!ss A3.02
assign ( resid 6 and name H2' and segid STR2 )
( resid 7 and name H5 and segid STR2 ) 3.945 $noe_dev_shrt $noe_dev_shrt
!ss B3.82. Deviations too small.
!ss A3.88. Deviations too small.
assign ( resid 9 and name H5 and segid STR1 )
( resid 8 and name H6 and segid STR1 ) 4.700 $noe_dev_long $noe_dev_long
!by analogy with C18_H5-T17_H6. the volumes are roughly equal at 250ms noesy.
!err ( resid 8 and name H6 and segid STR1 ) 5.000 $noe_dev_shrt $noe_dev_shrt
!ss B3.91. Deviations too small.
!ss A3.81. Deviations too small.
assign ( resid 3 and name H1' and segid STR2 )
( resid 3 and name H8 and segid STR2 ) 4.540 $noe_dev_shrt $noe_dev_shrt
!ss B3.88. Deviations too small.
!ss A3.78. Deviations too small.
assign ( resid 4 and name H1' and segid STR2 )
( resid 4 and name H8 and segid STR2 ) 4.615 $noe_dev_shrt $noe_dev_shrt
!ss B3.42. Deviations too small.
!ss A4.45. Deviations too small.
assign ( resid 8 and name H2'' and segid STR1 )
( resid 8 and name H6 and segid STR1 ) 2.525 $noe_dev_shrt $noe_dev_shrt
!ss B2.28. Deviations too small.
!ss A1.65. Deviations too small.
assign ( resid 2 and name H2'' and segid STR2 )
( resid 3 and name H8 and segid STR2 ) 3.205 $noe_dev_shrt $noe_dev_shrt
!ss B3.68. Deviations too small.
!ss A3.29. Deviations too small.
assign ( resid 2 and name H2' and segid STR2 )
( resid 3 and name H8 and segid STR2 ) 4.410 $noe_dev_shrt $noe_dev_shrt
!!!!!!!!!!!!!!!!!!
! B -- F O R M V I O L A T I O N S from the 300ms data
!!!!!!!!!!!!!!!!!!
!ss B4.92. Deviations too small.
!ss A5.75. Deviations too small.
assign ( resid 4 and name H1' and segid STR2 )
( resid 5 and name H1' and segid STR2 ) 3.890 $noe_dev_xtra $noe_dev_xtra
! ( resid 5 and name H1' and segid STR2 ) 3.390 $noe_dev_xtra $noe_dev_xtra
!ss B3.24. Deviations too small. The original value was better.
!ss A3.02. Deviations too small. The original value was better.
assign ( resid 4 and name H2' and segid STR2 )
( resid 5 and name H5 and segid STR2 ) 4.155 $noe_dev_xtra $noe_dev_xtra
! ( resid 5 and name H5 and segid STR2 ) 3.655 $noe_dev_xtra $noe_dev_xtra
!ss B3.91. The original value was better.
!ss A3.81. Deviations too small. The original value was better.
assign ( resid 1 and name H1' and segid STR2 )
( resid 1 and name H8 and segid STR2 ) 4.575 $noe_dev_xtra $noe_dev_xtra
! ( resid 1 and name H8 and segid STR2 ) 4.075 $noe_dev_xtra $noe_dev_xtra
!!!!!!!!!!!!!!!!!!
! B -- F O R M V I O L A T I O N S from the BUILD-UP data
!!!!!!!!!!!!!!!!!!
!ss B2.83: in B-form this dist is 2.83 A as Insight tells. Deviations too small.
!ss A4.76: in A-form this dist is 2.83 A as Insight tells. Deviations too small.
assign ( resid 6 and name H2'' and segid STR2 )
( resid 7 and name H5 and segid STR2 ) 3.950 $noe_dev_long $noe_dev_long
!ss B2.80. Deviations too small.
!ss A4.07. Deviations too small.
assign ( resid 4 and name H1' and segid STR2 )
( resid 5 and name H6 and segid STR2 ) 3.530 $noe_dev_shrt $noe_dev_shrt
!ss B2.80. Deviations too small.
assign ( resid 10 and name H1' and segid STR1 )
( resid 11 and name H6 and segid STR1 ) 3.910 $noe_dev_long $noe_dev_long
!ss B2.83. Deviations too small.
!ss A4.12. Deviations too small.
assign ( resid 3 and name H1' and segid STR2 )
( resid 4 and name H8 and segid STR2 ) 3.550 $noe_dev_shrt $noe_dev_shrt
!ss B2.80. Deviations too small.
!ss A4.07. Deviations too small.
assign ( resid 8 and name H1' and segid STR2 )
( resid 9 and name H6 and segid STR2 ) 3.540 $noe_dev_shrt $noe_dev_shrt
!ss B3.42. Deviations too small.
assign ( resid 1 and name H2'' and segid STR1 )
( resid 1 and name H6 and segid STR1 ) 3.955 $noe_dev_shrt $noe_dev_shrt
!ss B3.70. Deviations too small.
assign ( resid 3 and name H2'' and segid STR1 )
( resid 3 and name H8 and segid STR1 ) 4.320 $noe_dev_shrt $noe_dev_shrt
!!!!!!!!!!!!!!!!!!
! B -- F O R M V I O L A T I O N S from the 300ms data
!!!!!!!!!!!!!!!!!!
!ss B5.19. Deviations too small.
assign ( resid 4 and name H8 and segid STR2 )
( resid 5 and name H6 and segid STR2 ) 4.195 $noe_dev_xtra $noe_dev_xtra
! ( resid 5 and name H6 and segid STR2 ) 3.695 $noe_dev_xtra $noe_dev_xtra
!ss B3.69. Deviations too small. The original value was better.
assign ( resid 4 and name H1' and segid STR2 )
( resid 5 and name H5 and segid STR2 ) 4.655 $noe_dev_xtra $noe_dev_xtra
! ( resid 5 and name H5 and segid STR2 ) 4.155 $noe_dev_xtra $noe_dev_xtra
!ss The original value was better.
!ss A2.63. Deviations too small. The original value was better.
assign ( resid 8 and name H3' and segid STR1 )
( resid 8 and name H6 and segid STR1 ) 4.355 $noe_dev_xtra $noe_dev_xtra
! ( resid 8 and name H6 and segid STR1 ) 3.855 $noe_dev_xtra $noe_dev_xtra
!Taken off because the dist is in the Build-Up part of the file
!ss B2.80. The original value was better.
!assign ( resid 10 and name H1' and segid STR1 )
! ( resid 11 and name H6 and segid STR1 ) 3.570 $noe_dev_xtra $noe_dev_xtra
! ( resid 11 and name H6 and segid STR1 ) 3.070 $noe_dev_xtra $noe_dev_xtra
!ss B5.19. Deviations too small.
assign ( resid 10 and name H8 and segid STR1 )
( resid 11 and name H6 and segid STR1 ) 4.285 $noe_dev_xtra $noe_dev_xtra
! ( resid 11 and name H6 and segid STR1 ) 3.785 $noe_dev_xtra $noe_dev_xtra
!ss B3.93. Deviations too small.
assign ( resid 4 and name H1' and segid STR2 )
( resid 4 and name H3' and segid STR2 ) 3.115 $noe_dev_xtra $noe_dev_xtra
! ( resid 4 and name H3' and segid STR2 ) 2.615 $noe_dev_xtra $noe_dev_xtra
!ss B2.65. The original value was better.
assign ( resid 4 and name H4' and segid STR2 )
( resid 4 and name H3' and segid STR2 ) 3.170 $noe_dev_xtra $noe_dev_xtra
! ( resid 4 and name H3' and segid STR2 ) 2.670 $noe_dev_xtra $noe_dev_xtra
!ss The build-up based calculation gives 4.250 A.
assign ( resid 2 and name H1' and segid STR2 )
( resid 10 and name H2 and segid STR1 ) 4.725 $noe_dev_xtra $noe_dev_xtra
! ( resid 10 and name H2 and segid STR1 ) 4.225 $noe_dev_xtra $noe_dev_xtra
!ss B1.88. Deviations too small. The original value was better.
!ss A3.78. Deviations too small.
assign ( resid 1 and name H6 and segid STR1 )
( resid 1 and name H2' and segid STR1 ) 2.885 $noe_dev_xtra $noe_dev_xtra
! ( resid 1 and name H2' and segid STR1 ) 2.385 $noe_dev_xtra $noe_dev_xtra
!ss B3.42. Deviations too small. The original value was better.
assign ( resid 1 and name H2'' and segid STR1 )
( resid 1 and name H6 and segid STR1 ) 4.400 $noe_dev_xtra $noe_dev_xtra
! ( resid 1 and name H6 and segid STR1 ) 3.900 $noe_dev_xtra $noe_dev_xtra
!ss B1.87. Deviations too small. The original value was better.
!ss A3.77. Deviations too small.
assign ( resid 4 and name H2' and segid STR1 )
( resid 4 and name H6 and segid STR1 ) 2.855 $noe_dev_xtra $noe_dev_xtra
! ( resid 4 and name H6 and segid STR1 ) 2.355 $noe_dev_xtra $noe_dev_xtra
!ss B2.36. The original value was better.
assign ( resid 8 and name H2'' and segid STR2 )
( resid 9 and name H6 and segid STR2 ) 2.965 $noe_dev_xtra $noe_dev_xtra
! ( resid 9 and name H6 and segid STR2 ) 2.465 $noe_dev_xtra $noe_dev_xtra
!ss B2.83. The original value was better.
assign ( resid 11 and name H8 and segid STR2 )
( resid 10 and name H1' and segid STR2 ) 3.695 $noe_dev_xtra $noe_dev_xtra
! ( resid 10 and name H1' and segid STR2 ) 3.195 $noe_dev_xtra $noe_dev_xtra
!Taken off because the dist is in the Build-Up part of the file
!ss B2.83. The original value was better.
!assign ( resid 8 and name H1' and segid STR2 )
! ( resid 9 and name H6 and segid STR2 ) 3.570 $noe_dev_xtra $noe_dev_xtra
! ( resid 9 and name H6 and segid STR2 ) 3.070 $noe_dev_xtra $noe_dev_xtra
!ss B5.19. Deviations too small.
assign ( resid 8 and name H8 and segid STR2 )
( resid 9 and name H6 and segid STR2 ) 4.145 $noe_dev_xtra $noe_dev_xtra
! ( resid 9 and name H6 and segid STR2 ) 3.645 $noe_dev_xtra $noe_dev_xtra
!ss B3.93. Deviations too small. The original value was better.
assign ( resid 8 and name H1' and segid STR2 )
( resid 9 and name H5 and segid STR2 ) 4.715 $noe_dev_xtra $noe_dev_xtra
! ( resid 9 and name H5 and segid STR2 ) 4.215 $noe_dev_xtra $noe_dev_xtra
!ss B3.24. The original value was better.
assign ( resid 3 and name H4' and segid STR1 )
( resid 3 and name H3' and segid STR1 ) 3.160 $noe_dev_xtra $noe_dev_xtra
! ( resid 3 and name H3' and segid STR1 ) 2.660 $noe_dev_xtra $noe_dev_xtra
!ss B3.24. Deviations too small.
!ss A5.40. Deviations too small.
assign ( resid 10 and name H1' and segid STR2 )
( resid 2 and name H2 and segid STR1 ) 4.245 $noe_dev_xtra $noe_dev_xtra
! ( resid 2 and name H2 and segid STR1 ) 3.745 $noe_dev_xtra $noe_dev_xtra
!!!!!!!!!!!!!!!!!!
! G O O D A B -- F O R M V I O L A T I O N S
!!!!!!!!!!!!!!!!!!
!ss B3.93. Deviations too small.
!ss A3.85. Deviations too small.
assign ( resid 3 and name H1' and segid STR1 )
( resid 3 and name H3' and segid STR1 ) 3.295 $noe_dev_shrt $noe_dev_shrt
!ss B4.22. Deviations too small.
!ss A2.87. Deviations too small.
assign ( resid 3 and name H3' and segid STR1 )
( resid 3 and name H8 and segid STR1 ) 4.795 $noe_dev_shrt $noe_dev_shrt
!ss B3.03. The original value was better.
!ss A2.79. Deviations too small. The original value was better.
assign ( resid 1 and name H1' and segid STR1 )
( resid 1 and name H2' and segid STR1 ) 3.785 $noe_dev_xtra $noe_dev_xtra
! ( resid 1 and name H2' and segid STR1 ) 3.285 $noe_dev_xtra $noe_dev_xtra
!ss B5.01. The original value was better.
!ss A4.67. Deviations too small. The original value was better.
assign ( resid 11 and name H1' and segid STR2 )
( resid 2 and name H2 and segid STR1 ) 5.745 $noe_dev_xtra $noe_dev_xtra
! ( resid 2 and name H2 and segid STR1 ) 5.245 $noe_dev_xtra $noe_dev_xtra
!1st Strand
assign ( resid 1 and name H1' and segid STR1 )
( resid 2 and name H8 and segid STR1 ) 3.500 $noe_dev_xtra $noe_dev_xtra
assign ( resid 4 and name H1' and segid STR1 )
( resid 5 and name H8 and segid STR1 ) 3.500 $noe_dev_xtra $noe_dev_xtra
assign ( resid 7 and name H1' and segid STR1 )
( resid 8 and name H6 and segid STR1 ) 3.500 $noe_dev_xtra $noe_dev_xtra
assign ( resid 9 and name H1' and segid STR1 )
( resid 10 and name H8 and segid STR1 ) 3.500 $noe_dev_xtra $noe_dev_xtra
!2nd Strand
assign ( resid 2 and name H1' and segid STR2 )
( resid 3 and name H8 and segid STR2 ) 3.500 $noe_dev_xtra $noe_dev_xtra
assign ( resid 5 and name H1' and segid STR2 )
( resid 6 and name H6 and segid STR2 ) 3.500 $noe_dev_xtra $noe_dev_xtra
assign ( resid 6 and name H1' and segid STR2 )
( resid 7 and name H6 and segid STR2 ) 3.500 $noe_dev_xtra $noe_dev_xtra
assign ( resid 7 and name H1' and segid STR2 )
( resid 8 and name H8 and segid STR2 ) 3.500 $noe_dev_xtra $noe_dev_xtra
assign ( resid 9 and name H1' and segid STR2 )
( resid 10 and name H6 and segid STR2 ) 3.500 $noe_dev_xtra $noe_dev_xtra
!! Swaped
!ss B3.70. Deviations too small.
!ss A4.71. Deviations too small.
!limits extended
!taken off
assign ( resid 11 and name H2' and segid STR2 )
( resid 11 and name H8 and segid STR2 ) 2.325 $noe_dev_long $noe_dev_long
! ( resid 11 and name H8 and segid STR2 ) 2.325 $noe_dev_shrt $noe_dev_shrt
!ss B2.20. Deviations too small.
!ss A3.93. Deviations too small.
assign ( resid 11 and name H2'' and segid STR2 )
( resid 11 and name H8 and segid STR2 ) 3.245 $noe_dev_long $noe_dev_long
! ( resid 11 and name H8 and segid STR2 ) 3.245 $noe_dev_shrt $noe_dev_shrt
!! Swaped
!taken off
!distance and +/- correction based on dynamics violation and sugar 3D structure
assign ( resid 5 and name H1' and segid STR1 )
( resid 5 and name H8 and segid STR1 ) 4.500 1.5 1.5
! ( resid 5 and name H8 and segid STR1 ) 5.00 $noe_dev_long $noe_dev_long
!err ( resid 5 and name H8 and segid STR1 ) 5.700 $noe_dev_shrt $noe_dev_shrt
!ss B2.83. Deviations too small.
!taken off
assign ( resid 8 and name H2'' and segid STR2 )
( resid 9 and name H5 and segid STR2 ) 4.460 $noe_dev_shrt $noe_dev_shrt
!ss B2.80. Deviations too small.
!ss A4.06. Deviations too small.
!taken off
assign ( resid 8 and name H1' and segid STR1 )
( resid 9 and name H6 and segid STR1 ) 4.890 $noe_dev_shrt $noe_dev_shrt
!ss B2.81. Deviations too small.
!limits extended
!taken off
assign ( resid 3 and name H1' and segid STR1 )
( resid 4 and name H6 and segid STR1 ) 4.125 $noe_dev_long $noe_dev_long
! ( resid 4 and name H6 and segid STR1 ) 4.125 $noe_dev_shrt $noe_dev_shrt
!ss B2.81. Deviations too small. The original value was better.
!taken off
!assign ( resid 4 and name H6 and segid STR1 )
! ( resid 3 and name H1' and segid STR1 ) 4.055 $noe_dev_xtra $noe_dev_xtra
! ( resid 3 and name H1' and segid STR1 ) 3.555 $noe_dev_xtra $noe_dev_xtra
!ss B3.86. Deviations too small.
!ss A1.57. Deviations too small.
!taken off
assign ( resid 5 and name H2' and segid STR2 )
( resid 6 and name H6 and segid STR2 ) 2.275 $noe_dev_shrt $noe_dev_shrt
!ss B2.20. Deviations too small.
assign ( resid 1 and name H2' and segid STR2 )
( resid 1 and name H8 and segid STR2 ) 3.430 $noe_dev_shrt $noe_dev_shrt
!ss B3.84. Deviations too small. The original value was better.
!ss A4.88. Deviations too small. The original value was better.
!taken off
assign ( resid 4 and name H5# and segid STR1 )
( resid 3 and name H1' and segid STR1 ) 5.870 $noe_dev_xtra $noe_dev_xtra
! ( resid 3 and name H1' and segid STR1 ) 5.370 $noe_dev_xtra $noe_dev_xtra
!ss B5.43. Deviations too small.
!ss A5.36. Deviations too small.
!taken off
!distance correction based on dynamics violation and base-sugar 3D structure
assign ( resid 1 and name H1' and segid STR1 )
( resid 1 and name H5 and segid STR1 ) 5.000 $noe_dev_xtra $noe_dev_xtra
! ( resid 1 and name H5 and segid STR1 ) 3.830 $noe_dev_xtra $noe_dev_xtra
! ( resid 1 and name H5 and segid STR1 ) 3.330 $noe_dev_xtra $noe_dev_xtra
!ss B3.93. Deviations too small. The original value was better.
!ss A3.85. Deviations too small. The original value was better.
!taken off
!distance correction based on dynamics violation and sugar 3D structure
assign ( resid 2 and name H1' and segid STR1 )
( resid 2 and name H3' and segid STR1 ) 3.800 $noe_dev_xtra $noe_dev_xtra
! ( resid 2 and name H3' and segid STR1 ) 5.400 $noe_dev_xtra $noe_dev_xtra
! ( resid 2 and name H3' and segid STR1 ) 4.900 $noe_dev_xtra $noe_dev_xtra
!ss B4.56. Deviations too small.
!ss A3.96. Deviations too small.
assign ( resid 5 and name H1' and segid STR2 )
( resid 4 and name H2 and segid STR2 ) 3.420 $noe_dev_shrt $noe_dev_shrt
!ss B5.30. Deviations too small.
!ss A5.40. Deviations too small.
assign ( resid 2 and name H1' and segid STR2 )
( resid 10 and name H2 and segid STR1 ) 4.250 $noe_dev_shrt $noe_dev_shrt
!ss B2.83. Deviations too small.
!ss A4.76. Deviations too small.
assign ( resid 11 and name H5 and segid STR1 )
( resid 10 and name H2'' and segid STR1 ) 3.970 $noe_dev_shrt $noe_dev_shrt
!ss B2.81: in B-form this dist is 2.83 A as Insight tells. Deviations too small.
assign ( resid 1 and name H1' and segid STR2 )
( resid 2 and name H6 and segid STR2 ) 4.135 $noe_dev_shrt $noe_dev_shrt
!ss B2.83. Deviations too small.
assign ( resid 2 and name H1' and segid STR1 )
( resid 3 and name H8 and segid STR1 ) 4.085 $noe_dev_shrt $noe_dev_shrt
!ss B2.28. Deviations too small.
assign ( resid 4 and name H2'' and segid STR1 )
( resid 5 and name H8 and segid STR1 ) 3.455 $noe_dev_shrt $noe_dev_shrt
!ss B3.86. Deviations too small.
!ss A1.57. Deviations too small.
assign ( resid 6 and name H2' and segid STR2 )
( resid 7 and name H6 and segid STR2 ) 2.810 $noe_dev_shrt $noe_dev_shrt
!ss B3.24. Deviations too small. The original value was better.
!ss A3.03. Deviations too small. The original value was better.
assign ( resid 8 and name H2' and segid STR2 )
( resid 9 and name H5 and segid STR2 ) 4.635 $noe_dev_xtra $noe_dev_xtra
! ( resid 9 and name H5 and segid STR2 ) 4.135 $noe_dev_xtra $noe_dev_xtra
!ss B3.84. Deviations too small.
!ss A2.63. Deviations too small.
assign ( resid 2 and name H3' and segid STR2 )
( resid 2 and name H6 and segid STR2 ) 4.790 $noe_dev_shrt $noe_dev_shrt
!ss B5.05. Deviations too small.
!ss A4.80. Deviations too small.
assign ( resid 7 and name H6 and segid STR2 )
( resid 6 and name H6 and segid STR2 ) 3.750 $noe_dev_xtra $noe_dev_xtra
! ( resid 6 and name H6 and segid STR2 ) 3.250 $noe_dev_xtra $noe_dev_xtra
!ss B5.22. Deviations too small.
!ss A4.87. Deviations too small.
assign ( resid 7 and name H8 and segid STR1 )
( resid 8 and name H6 and segid STR1 ) 3.860 $noe_dev_xtra $noe_dev_xtra
! ( resid 8 and name H6 and segid STR1 ) 3.360 $noe_dev_xtra $noe_dev_xtra
!ss B4.92. Deviations too small.
!ss A5.75. Deviations too small.
assign ( resid 10 and name H1' and segid STR1 )
( resid 11 and name H1' and segid STR1 ) 3.630 $noe_dev_xtra $noe_dev_xtra
! ( resid 11 and name H1' and segid STR1 ) 3.130 $noe_dev_xtra $noe_dev_xtra
Contact the webmaster for help, if required. Thursday, May 16, 2024 11:17:28 AM GMT (wattos1)