NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
586516 2ms5 25106 cing 1-original 1 unknown distance NOE simple


!Apply Distance Constraint Distance:C1:H1'-C1:H6
NOE
ASSIGN SELE BYNUM 14 -
END -
SELE BYNUM 17 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.64 -
RMAX 3.14 -
FMAX 10 
END

!Apply Distance Constraint Distance:C1:H1'-C1:H6
NOE
ASSIGN SELE BYNUM 14 -
END -
SELE BYNUM 17 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.64 -
RMAX 3.14 -
FMAX 10 
END

!Apply Distance Constraint Distance:C1:H6-C1:H5
NOE
ASSIGN SELE BYNUM 17 -
END -
SELE BYNUM 26 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.03 -
RMAX 2.53 -
FMAX 10 
END

!Apply Distance Constraint Distance:C1:H6-C1:H5
NOE
ASSIGN SELE BYNUM 17 -
END -
SELE BYNUM 26 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.03 -
RMAX 2.53 -
FMAX 10 
END

!Apply Distance Constraint Distance:G3:H1'-G3:H8
NOE
ASSIGN SELE BYNUM 76 -
END -
SELE BYNUM 91 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.17 -
RMAX 2.67 -
FMAX 10 
END

!Apply Distance Constraint Distance:G3:H1'-G3:H8
NOE
ASSIGN SELE BYNUM 76 -
END -
SELE BYNUM 91 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.17 -
RMAX 2.67 -
FMAX 10 
END

!Apply Distance Constraint Distance:C2:H6-G3:H1
NOE
ASSIGN SELE BYNUM 343 -
END -
SELE BYNUM 380 -
END -
KMIN 5 -
KMAX 10 -
RMIN 3.76 -
RMAX 4.26 -
FMAX 10 
END

!Apply Distance Constraint Distance:C2:H6-G3:H1
NOE
ASSIGN SELE BYNUM 343 -
END -
SELE BYNUM 380 -
END -
KMIN 5 -
KMAX 10 -
RMIN 3.76 -
RMAX 4.26 -
FMAX 10 
END

!Apply Distance Constraint Distance:G3:H1-G3:H8
NOE
ASSIGN SELE BYNUM 380 -
END -
SELE BYNUM 386 -
END -
KMIN 5 -
KMAX 10 -
RMIN 4.24 -
RMAX 4.74 -
FMAX 10 
END

!Apply Distance Constraint Distance:G3:H1-G3:H8
NOE
ASSIGN SELE BYNUM 380 -
END -
SELE BYNUM 386 -
END -
KMIN 5 -
KMAX 10 -
RMIN 4.24 -
RMAX 4.74 -
FMAX 10 
END

!Apply Distance Constraint Distance:G3:H1-G3:Centroid1
NOE
ASSIGN SELE BYNUM 85 -
END -
SELE BYNUM 83 -
.OR. BYNUM 82 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.94 -
RMAX 3.44 -
FMAX 10 
END

!Apply Distance Constraint Distance:G3:H1-G3:Centroid2
NOE
ASSIGN SELE BYNUM 380 -
END -
SELE BYNUM 378 -
.OR. BYNUM 377 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.94 -
RMAX 3.44 -
FMAX 10 
END

!Apply Distance Constraint Distance:C4:H1'-A5:H8
NOE
ASSIGN SELE BYNUM 405 -
END -
SELE BYNUM 450 -
END -
KMIN 5 -
KMAX 10 -
RMIN 3 -
RMAX 3.5 -
FMAX 10 
END

!Apply Distance Constraint Distance:C4:H1'-A5:H8
NOE
ASSIGN SELE BYNUM 405 -
END -
SELE BYNUM 450 -
END -
KMIN 5 -
KMAX 10 -
RMIN 3 -
RMAX 3.5 -
FMAX 10 
END

!Apply Distance Constraint Distance:C4:H1'-C4:H6
NOE
ASSIGN SELE BYNUM 110 -
END -
SELE BYNUM 113 -
END -
KMIN 5 -
KMAX 10 -
RMIN 3.13 -
RMAX 3.63 -
FMAX 10 
END

!Apply Distance Constraint Distance:C4:H1'-C4:H6
NOE
ASSIGN SELE BYNUM 110 -
END -
SELE BYNUM 113 -
END -
KMIN 5 -
KMAX 10 -
RMIN 3.13 -
RMAX 3.63 -
FMAX 10 
END

!Apply Distance Constraint Distance:C4:H6-C4:H5
NOE
ASSIGN SELE BYNUM 408 -
END -
SELE BYNUM 417 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.13 -
RMAX 2.63 -
FMAX 10 
END

!Apply Distance Constraint Distance:C4:H6-C4:H5
NOE
ASSIGN SELE BYNUM 408 -
END -
SELE BYNUM 417 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.13 -
RMAX 2.63 -
FMAX 10 
END

!Apply Distance Constraint Distance:A5:H1'-A5:H8
NOE
ASSIGN SELE BYNUM 141 -
END -
SELE BYNUM 155 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.7 -
RMAX 3.2 -
FMAX 10 
END

!Apply Distance Constraint Distance:A5:H1'-A5:H8
NOE
ASSIGN SELE BYNUM 141 -
END -
SELE BYNUM 155 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.7 -
RMAX 3.2 -
FMAX 10 
END

!Apply Distance Constraint Distance:A5:H1'-G6:H8
NOE
ASSIGN SELE BYNUM 436 -
END -
SELE BYNUM 484 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.89 -
RMAX 3.39 -
FMAX 10 
END

!Apply Distance Constraint Distance:A5:H1'-G6:H8
NOE
ASSIGN SELE BYNUM 436 -
END -
SELE BYNUM 484 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.89 -
RMAX 3.39 -
FMAX 10 
END

!Apply Distance Constraint Distance:A5:H2-G6:H1'
NOE
ASSIGN SELE BYNUM 146 -
END -
SELE BYNUM 174 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.3 -
RMAX 2.8 -
FMAX 10 
END

!Apply Distance Constraint Distance:A5:H2-G6:H1'
NOE
ASSIGN SELE BYNUM 146 -
END -
SELE BYNUM 174 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.3 -
RMAX 2.8 -
FMAX 10 
END

!Apply Distance Constraint Distance:G6:H1'-G6:H8
NOE
ASSIGN SELE BYNUM 174 -
END -
SELE BYNUM 189 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.99 -
RMAX 3.49 -
FMAX 10 
END

!Apply Distance Constraint Distance:G6:H1'-G6:H8
NOE
ASSIGN SELE BYNUM 174 -
END -
SELE BYNUM 189 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.99 -
RMAX 3.49 -
FMAX 10 
END

!Apply Distance Constraint Distance:G6:H1-G8:H1
NOE
ASSIGN SELE BYNUM 478 -
END -
SELE BYNUM 543 -
END -
KMIN 5 -
KMAX 10 -
RMIN 3.29 -
RMAX 3.79 -
FMAX 10 
END

!Apply Distance Constraint Distance:G6:H1-G8:H1
NOE
ASSIGN SELE BYNUM 478 -
END -
SELE BYNUM 543 -
END -
KMIN 5 -
KMAX 10 -
RMIN 3.29 -
RMAX 3.79 -
FMAX 10 
END

!Apply Distance Constraint Distance:C7:H1'-C7:H6
NOE
ASSIGN SELE BYNUM 208 -
END -
SELE BYNUM 211 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.56 -
RMAX 3.06 -
FMAX 10 
END

!Apply Distance Constraint Distance:C7:H1'-C7:H6
NOE
ASSIGN SELE BYNUM 208 -
END -
SELE BYNUM 211 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.56 -
RMAX 3.06 -
FMAX 10 
END

!Apply Distance Constraint Distance:C7:H1'-G8:H8
NOE
ASSIGN SELE BYNUM 503 -
END -
SELE BYNUM 549 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.99 -
RMAX 3.49 -
FMAX 10 
END

!Apply Distance Constraint Distance:C7:H1'-G8:H8
NOE
ASSIGN SELE BYNUM 503 -
END -
SELE BYNUM 549 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.99 -
RMAX 3.49 -
FMAX 10 
END

!Apply Distance Constraint Distance:C7:H6-C7:H5
NOE
ASSIGN SELE BYNUM 211 -
END -
SELE BYNUM 220 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.2 -
RMAX 2.7 -
FMAX 10 
END

!Apply Distance Constraint Distance:C7:H6-C7:H5
NOE
ASSIGN SELE BYNUM 211 -
END -
SELE BYNUM 220 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.2 -
RMAX 2.7 -
FMAX 10 
END

!Apply Distance Constraint Distance:G8:H1'-G8:H8
NOE
ASSIGN SELE BYNUM 534 -
END -
SELE BYNUM 549 -
END -
KMIN 5 -
KMAX 10 -
RMIN 3.05 -
RMAX 3.55 -
FMAX 10 
END

!Apply Distance Constraint Distance:G8:H1'-G8:H8
NOE
ASSIGN SELE BYNUM 534 -
END -
SELE BYNUM 549 -
END -
KMIN 5 -
KMAX 10 -
RMIN 3.05 -
RMAX 3.55 -
FMAX 10 
END

!Apply Distance Constraint Distance:C7:H6-G8:H1
NOE
ASSIGN SELE BYNUM 211 -
END -
SELE BYNUM 248 -
END -
KMIN 5 -
KMAX 10 -
RMIN 3.94 -
RMAX 4.44 -
FMAX 10 
END

!Apply Distance Constraint Distance:C7:H6-G8:H1
NOE
ASSIGN SELE BYNUM 211 -
END -
SELE BYNUM 248 -
END -
KMIN 5 -
KMAX 10 -
RMIN 3.94 -
RMAX 4.44 -
FMAX 10 
END

!Apply Distance Constraint Distance:G8:H1-G8:Centroid3
NOE
ASSIGN SELE BYNUM 248 -
END -
SELE BYNUM 245 -
.OR. BYNUM 246 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.46 -
RMAX 2.96 -
FMAX 10 
END

!Apply Distance Constraint Distance:G8:H1-G8:Centroid4
NOE
ASSIGN SELE BYNUM 543 -
END -
SELE BYNUM 541 -
.OR. BYNUM 540 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.46 -
RMAX 2.96 -
FMAX 10 
END

!Apply Distance Constraint Distance:G8:H1-G8:H8
NOE
ASSIGN SELE BYNUM 248 -
END -
SELE BYNUM 254 -
END -
KMIN 5 -
KMAX 10 -
RMIN 3.9 -
RMAX 4.4 -
FMAX 10 
END

!Apply Distance Constraint Distance:G8:H1-G8:H8
NOE
ASSIGN SELE BYNUM 248 -
END -
SELE BYNUM 254 -
END -
KMIN 5 -
KMAX 10 -
RMIN 3.9 -
RMAX 4.4 -
FMAX 10 
END

!Apply Distance Constraint Distance:G9:H1'-G9:H8
NOE
ASSIGN SELE BYNUM 568 -
END -
SELE BYNUM 583 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.53 -
RMAX 3.03 -
FMAX 10 
END

!Apply Distance Constraint Distance:G9:H1'-G9:H8
NOE
ASSIGN SELE BYNUM 568 -
END -
SELE BYNUM 583 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.53 -
RMAX 3.03 -
FMAX 10 
END

!Apply Distance Constraint Distance:G8:H1-G9:H1
NOE
ASSIGN SELE BYNUM 543 -
END -
SELE BYNUM 577 -
END -
KMIN 5 -
KMAX 10 -
RMIN 4.01 -
RMAX 4.51 -
FMAX 10 
END

!Apply Distance Constraint Distance:G8:H1-G9:H1
NOE
ASSIGN SELE BYNUM 543 -
END -
SELE BYNUM 577 -
END -
KMIN 5 -
KMAX 10 -
RMIN 4.01 -
RMAX 4.51 -
FMAX 10 
END

!Apply Distance Constraint Distance:G9:H1-G9:Centroid5
NOE
ASSIGN SELE BYNUM 282 -
END -
SELE BYNUM 279 -
.OR. BYNUM 280 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.51 -
RMAX 3.01 -
FMAX 10 
END

!Apply Distance Constraint Distance:G9:H1-G9:Centroid6
NOE
ASSIGN SELE BYNUM 577 -
END -
SELE BYNUM 574 -
.OR. BYNUM 575 -
END -
KMIN 5 -
KMAX 10 -
RMIN 2.51 -
RMAX 3.01 -
FMAX 10 
END

!Apply Harmonic Constraint Harmonic:harmonic_1 
CONS HARM MASS FORCE 10 SELE bynum 1:129 -
.or. bynum 163:424 -
.or. bynum 458:590 -
end



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