NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
9751 1ont cing 1-original 1 MR format nomenclature mapping




!noe.tbl

!  NOE table  May '96
! 
!residue gly1

!residue Glu2
assign (resid  2  and name HA   ) (resid   2 and name HN   ) 0 0 3.5 !B9 M  
assign (resid  1  and name HA*  ) (resid   2 and name HN   ) 0 0 6.0 !B10 M 
assign (resid  2  and name HG*  ) (resid   2 and name HN   ) 0 0 4.5 !B12 M 
assign (resid  3  and name HB*  ) (resid   2 and name HN   ) 0 0 7.0 !B13 vW
assign (resid  2  and name HB*  ) (resid   2 and name HN   ) 0 0 4.5 !B14 M  
assign (resid  5  and name HB1  ) (resid   2 and name HA   ) 0 0 3.5 !C7 M   
assign (resid  5  and name HB2  ) (resid   2 and name HA   ) 0 0 3.5 !C8 M   

!residue Gla3
assign (resid   2 and name HN   ) (resid   3 and name HN   ) 0 0 3.5 ! A1 M 
assign (resid   2 and name HA   ) (resid   3 and name HN   ) 0 0 5.0 !B1 W     
assign (resid   3 and name HA   ) (resid   3 and name HN   ) 0 0 3.5 !B2 M  
assign (resid   1 and name HA*  ) (resid   3 and name HN   ) 0 0 6.0 !B3 W  
assign (resid   3 and name HG   ) (resid   3 and name HN   ) 0 0 3.5 !B4 M  
assign (resid   4 and name HB*  ) (resid   3 and name HN   ) 0 0 7.0 !B5 vW 
assign (resid   2 and name HG*  ) (resid   3 and name HN   ) 0 0 5.0 !B6 W  
assign (resid   3 and name HB*  ) (resid   3 and name HN   ) 0 0 3.7 !B7 S  
assign (resid   2 and name HB*  ) (resid   3 and name HN   ) 0 0 4.5 !B8 M  
assign (resid   6 and name HB*  ) (resid   3 and name HA   ) 0 0 4.5 !C16 M 

!residue Gla4
assign (resid   3 and name HN    ) (resid   4 and name HN   ) 0 0 2.7 !A2 S     
assign (resid   2 and name HN    ) (resid   4 and name HN   ) 0 0 5.0 !A3 W  
assign (resid   5 and name HA    ) (resid   4 and name HN   ) 0 0 6.0 !B46 vW  
assign (resid   2 and name HA    ) (resid   4 and name HN   ) 0 0 6.0 !B47 vW  
assign (resid   3 and name HA    ) (resid   4 and name HN   ) 0 0 5.0 !B48 W 
assign (resid   4 and name HA    ) (resid   4 and name HN   ) 0 0 3.5 !B49 M 
assign (resid   4 and name HG    ) (resid   4 and name HN   ) 0 0 3.5 !B50 M   
assign (resid   5 and name HB*   ) (resid   4 and name HN   ) 0 0 6.0 !B51 vW  
assign (resid   4 and name HB1   ) (resid   4 and name HN   ) 0 0 3.5 !B52 S   
assign (resid   4 and name HB2   ) (resid   4 and name HN   ) 0 0 3.5 !B54 M   
assign (resid   3 and name HB*   ) (resid   4 and name HN   ) 0 0 4.5 !B53 M   
assign (resid   7 and name HB*   ) (resid   4 and name HA   ) 0 0 6.0 !B53 w   
!assign (resid     and name       ) (resid   4 and name HN   ) 0 0     !B55 vW  

!residue Tyr5
assign (resid  5  and name HN   ) (resid   5 and name HD*  ) 0 0 5.5 ! A19 M  
assign (resid  6  and name HN   ) (resid   5 and name HD*  ) 0 0 5.5 ! A18 M  
assign (resid  7  and name HN   ) (resid   5 and name HD*  ) 0 0 7.0 ! A20 W
assign (resid  5  and name HA   ) (resid   5 and name HN   ) 0 0 3.5 ! B56 M 
assign (resid  2  and name HA   ) (resid   5 and name HN   ) 0 0 5.0 ! B57 W
assign (resid  3  and name HA   ) (resid   5 and name HN   ) 0 0 5.0 ! B58 W
assign (resid  4  and name HA   ) (resid   5 and name HN   ) 0 0 3.5 ! B59 M
assign (resid  4  and name HN   ) (resid   5 and name HN   ) 0 0 2.7 ! B59 M
assign (resid  6  and name HA   ) (resid   5 and name HN   ) 0 0 6.0 ! B60 vW
assign (resid  5  and name HB1  ) (resid   5 and name HN   ) 0 0 3.5 ! B61 S
assign (resid  5  and name HB2  ) (resid   5 and name HN   ) 0 0 3.5 ! B62 M
assign (resid  4  and name HB1  ) (resid   5 and name HN   ) 0 0 5.0 ! B63 M
assign (resid  4  and name HB2  ) (resid   5 and name HN   ) 0 0 5.0 ! B64 W
assign (resid  9  and name HD** ) (resid   5 and name HN   ) 0 0 9.0 ! B65 vW
assign (resid  5  and name HA   ) (resid   5 and name HD*  ) 0 0 4.7 ! B195 S
assign (resid  2  and name HA   ) (resid   5 and name HD*  ) 0 0 7.0 ! B196 W
assign (resid  6  and name HA   ) (resid   5 and name HD*  ) 0 0 7.0 ! B197 W
assign (resid  5  and name HB1  ) (resid   5 and name HD*  ) 0 0 5.5 ! B198
assign (resid  5  and name HB1  ) (resid   5 and name HE*  ) 0 0 7.0 ! B209 W
assign (resid  5  and name HB2  ) (resid   5 and name HD*  ) 0 0 5.5 ! B199 M
assign (resid  5  and name HB2  ) (resid   5 and name HE*  ) 0 0 7.0 ! B210 W
assign (resid  6  and name HG*  ) (resid   5 and name HD*  ) 0 0 8.0 ! B202 W
assign (resid  2  and name HG*  ) (resid   5 and name HD*  ) 0 0 9.0 ! B203 vW
assign (resid  6  and name HB*  ) (resid   5 and name HD*  ) 0 0 8.0 ! B204 W 
assign (resid  8  and name HE*  ) (resid   5 and name HD*  ) 0 0 7.0 ! B205 W 
assign (resid  8  and name HE*  ) (resid   5 and name HE*  ) 0 0 7.0 ! B211 M 
assign (resid  9  and name HB*  ) (resid   5 and name HD*  ) 0 0 8.0 ! B206 W
assign (resid  9  and name HB*  ) (resid   5 and name HE*  ) 0 0 8.0 ! B206 W
assign (resid  9  and name HD*  ) (resid   5 and name HD*  ) 0 0 8.5 ! B207 W 
assign (resid  9  and name HD*  ) (resid   5 and name HE*  ) 0 0 7.7 ! B213 S 
assign (resid  8  and name HB1  ) (resid   5 and name HA   ) 0 0 5.0 ! C3 W   
assign (resid  8  and name HB2  ) (resid   5 and name HA   ) 0 0 5.0 ! C4 M   
assign (resid  6  and name HB*  ) (resid   5 and name HA   ) 0 0 6.0 ! C5 W   
assign (resid  8  and name HE*  ) (resid   5 and name HA   ) 0 0 6.5 ! C6 W   

!residue Gln6
assign (resid  5  and name HN    ) (resid   6 and name HN   ) 0 0 2.7 !A10 M 
assign (resid  5  and name HA    ) (resid   6 and name HN   ) 0 0 5.0 !B35 W    
assign (resid  2  and name HA    ) (resid   6 and name HN   ) 0 0 6.0 !B36 vW
assign (resid  3  and name HA    ) (resid   6 and name HN   ) 0 0 5.0 !B37 W  
assign (resid  4  and name HA    ) (resid   6 and name HN   ) 0 0 5.0 !B38 W 
assign (resid  6  and name HA    ) (resid   6 and name HN   ) 0 0 3.5 !B39 M 
assign (resid  5  and name HB1   ) (resid   6 and name HN   ) 0 0 5.0 !B40 W 
assign (resid  5  and name HB2   ) (resid   6 and name HN   ) 0 0 5.0 !B41 W 
assign (resid  6  and name HG*   ) (resid   6 and name HN   ) 0 0 4.5 !B42 M 
assign (resid  6  and name HB*   ) (resid   6 and name HN   ) 0 0 4.5 !B43 M 
assign (resid  9  and name HB*   ) (resid   6 and name HN   ) 0 0 7.0 !B44 vW
assign (resid  9  and name HD**  ) (resid   6 and name HN   ) 0 0 9.0 !B45 vW
!assign (resid 10/14  and name HG    ) (resid   6 and name H1   ) 0 0 5.0 !B146 W
assign (resid  6  and name HG*   ) (resid   6 and name H1   ) 0 0 4.0 !B147 M
assign (resid  9  and name HD**  ) (resid   6 and name H1   ) 0 0 9.0 !B148 vW
assign (resid  6  and name HA    ) (resid   6 and name H2   ) 0 0 6.0 !B214 vW
assign (resid  9  and name HD**  ) (resid   6 and name H2   ) 0 0 8.0 !B215 W
assign (resid  9  and name HB1   ) (resid   6 and name HA   ) 0 0 3.5 !C25 M 
assign (resid  9  and name HB2   ) (resid   6 and name HA   ) 0 0 3.5 !C26 M 
assign (resid  9  and name HD**  ) (resid   6 and name HA   ) 0 0 8.0 !C27 W 

!residue Lys7
assign (resid   6 and name HN   ) (resid   7 and name HN   ) 0 0 2.7 !A11 S      
assign (resid   5 and name HN   ) (resid   7 and name HN   ) 0 0 5.0 !A12 W      
assign (resid   5 and name HA   ) (resid   7 and name HN   ) 0 0 6.0 !B142 vW
assign (resid   7 and name HA   ) (resid   7 and name HN   ) 0 0 3.5 !B143 M 
assign (resid   6 and name HA   ) (resid   7 and name HN   ) 0 0 5.0 !B144 W  
assign (resid   6 and name HB*  ) (resid   7 and name HN   ) 0 0 4.5 !B145 M  
assign (resid  10 and name HB*  ) (resid   7 and name HA   ) 0 0 4.5 !C19 M   

!residue Met8
assign (resid   5 and name HA   ) (resid   8 and name HN   ) 0 0 5.0 !B160 W  
assign (resid   8 and name HA   ) (resid   8 and name HN   ) 0 0 3.5 !B160 M  
assign (resid   7 and name HA   ) (resid   8 and name HN   ) 0 0 5.0 !B162 W  
assign (resid   6 and name HA   ) (resid   8 and name HN   ) 0 0 6.0 !B163 vW   
assign (resid   8 and name HG*  ) (resid   8 and name HN   ) 0 0 6.0 !B164 W   
assign (resid   8 and name HB1  ) (resid   8 and name HN   ) 0 0 5.0 !B165 W  
assign (resid   8 and name HB2  ) (resid   8 and name HN   ) 0 0 5.0 !B166 M  
assign (resid   7 and name HB*  ) (resid   8 and name HN   ) 0 0 4.5 !B167 M   
assign (resid   9 and name HD** ) (resid   8 and name HN   ) 0 0 9.0 !B168 vW  
assign (resid  11 and name HB1  ) (resid   8 and name HA   ) 0 0 3.5 !C9 M     
assign (resid  11 and name HB2  ) (resid   8 and name HA   ) 0 0 3.5 !C10 M    

!residue Leu9
assign (resid  8  and name HN    ) (resid   9 and name HN   ) 0 0 2.7 !A24 M  
assign (resid  5  and name HA    ) (resid   9 and name HN   ) 0 0 6.0 !B113 vW 
assign (resid  8  and name HA    ) (resid   9 and name HN   ) 0 0 3.5 !B114 M 
assign (resid  7  and name HA    ) (resid   9 and name HN   ) 0 0 5.0 !B115 W 
assign (resid  9  and name HA    ) (resid   9 and name HN   ) 0 0 3.5 !B116 M 
assign (resid  6  and name HA    ) (resid   9 and name HN   ) 0 0 3.5 !B117 M 
assign (resid  8  and name HG*   ) (resid   9 and name HN   ) 0 0 7.0 !B118 vW
assign (resid  8  and name HB1   ) (resid   9 and name HN   ) 0 0 6.0 !B119 vW
assign (resid  8  and name HB2   ) (resid   9 and name HN   ) 0 0 6.0 !B120 M 
!assign (resid  6/16  and name HB*   ) (resid   9 and name HN   ) 0 0 4.5 !B121 M 
assign (resid  9  and name HG    ) (resid   9 and name HN   ) 0 0 3.5 !B122 M 
assign (resid  9  and name HB*   ) (resid   9 and name HN   ) 0 0 4.5 !B123 M 
assign (resid  9  and name HD**  ) (resid   9 and name HN   ) 0 0 6.5 !B124 M 
assign (resid  8  and name HE*   ) (resid   9 and name HA   ) 0 0 6.5 !C20 W  
assign (resid 12  and name HB1   ) (resid   9 and name HA   ) 0 0 3.5 !C21 M  
assign (resid 12  and name HB2   ) (resid   9 and name HA   ) 0 0 3.5 !C22 M  
assign (resid 12  and name HD1*  ) (resid   9 and name HA   ) 0 0 7.5 !C23 M  
assign (resid 12  and name HD2*  ) (resid   9 and name HA   ) 0 0 7.5 !C24 vW 

!residue Gla10
assign (resid  9  and name HN     ) (resid   10 and name HN   ) 0 0 3.5 ! A13 M
assign (resid  10 and name HA     ) (resid   10 and name HN   ) 0 0 5.0 ! B66 W
assign (resid  7  and name HA     ) (resid   10 and name HN   ) 0 0 5.0 ! B67 W
assign (resid  9  and name HA     ) (resid   10 and name HN   ) 0 0 5.0 ! B68 W
assign (resid  6  and name HA     ) (resid   10 and name HN   ) 0 0 5.0 ! B69 W
assign (resid  10 and name HG     ) (resid   10 and name HN   ) 0 0 3.5 ! B70 M 
assign (resid  10 and name HB1    ) (resid   10 and name HN   ) 0 0 3.5 ! B71 M  
assign (resid  10 and name HB2    ) (resid   10 and name HN   ) 0 0 3.5 ! B72 M  
!assign (resid  9  and name HB1/HG    ) (resid   10 and name HN   ) 0 0 3.5 ! B73 M  
assign (resid   9 and name HB2    ) (resid   10 and name HN   ) 0 0 3.5 ! B74 M  
assign (resid   9 and name HD**   ) (resid   10 and name HN   ) 0 0 8.0 ! B75 W  
assign (resid  13 and name HB*    ) (resid   10 and name HA   ) 0 0 6.0 ! C17 OL 

!residue Asn11
assign (resid  10  and name HN    ) (resid   11 and name HN   ) 0 0 3.5 !A4 M  
assign (resid   9  and name HN    ) (resid   11 and name HN   ) 0 0 5.0 !A7 W  
assign (resid  11  and name H1    ) (resid   11 and name HN   ) 0 0 5.0 !A9 W  
assign (resid  11  and name HA    ) (resid   11 and name HN   ) 0 0 3.5 !B15 M 
assign (resid  10  and name HA    ) (resid   11 and name HN   ) 0 0 3.5 !B16 M 
assign (resid   7  and name HA    ) (resid   11 and name HN   ) 0 0 5.0 !B17 W 
assign (resid   9  and name HA    ) (resid   11 and name HN   ) 0 0 5.0 !B18 W  
!assign (resid  10/14  and name HG    ) (resid   11 and name HN   ) 0 0 3.5 !B19 M 
assign (resid  11  and name HB1   ) (resid   11 and name HN   ) 0 0 3.5 !B20 M
assign (resid  11  and name HB2   ) (resid   11 and name HN   ) 0 0 3.5 !B21 M
assign (resid  10  and name HB1   ) (resid   11 and name HN   ) 0 0 5.0 !B22 M
assign (resid  10  and name HB2   ) (resid   11 and name HN   ) 0 0 5.0 !B23 W
assign (resid  12  and name HG    ) (resid   11 and name HN   ) 0 0 6.0 !B24 vW
assign (resid  12  and name HB1   ) (resid   11 and name HN   ) 0 0 6.0 !B24 vW
assign (resid  12  and name HB2   ) (resid   11 and name HN   ) 0 0 6.0 !B25 vW
assign (resid  11  and name HA    ) (resid   11 and name H1   ) 0 0 6.0 !B185 W
assign (resid  11  and name HA    ) (resid   12 and name H1   ) 0 0 6.0 !B217 vW
!assign (resid  8/10  and name HA    ) (resid   11 and name H1   ) 0 0 6.0 !B186 W
!assign (resid  8/10  and name HA    ) (resid   11 and name H2   ) 0 0 6.0 !B218 W
assign (resid  11  and name HB*   ) (resid   11 and name H1   ) 0 0 5.0 !B188 W
assign (resid  11  and name HB1   ) (resid   11 and name H2   ) 0 0 5.0 !B219 W
assign (resid  11  and name HB2   ) (resid   11 and name H2   ) 0 0 5.0 !B220 W
assign (resid  12  and name HG    ) (resid   11 and name H1   ) 0 0 6.0 !B192 vW
assign (resid  14  and name HB2   ) (resid   11 and name HA   ) 0 0 3.5 !C1 M   
assign (resid  14  and name HB1   ) (resid   11 and name HA   ) 0 0 3.5 !C2 M   

!residue Leu12
assign (resid  11  and name HN   ) (resid   12 and name HN   ) 0 0 3.5 !A5 M   
assign (resid  11  and name HA   ) (resid   12 and name HN   ) 0 0 5.0 !B81 W  
assign (resid  12  and name HA   ) (resid   12 and name HN   ) 0 0 3.5 !B82 M  
assign (resid   9  and name HA   ) (resid   12 and name HN   ) 0 0 5.0 !B83 W 
assign (resid  11  and name HB1  ) (resid   12 and name HN   ) 0 0 5.0 !B84 M  
assign (resid  11  and name HB2  ) (resid   12 and name HN   ) 0 0 5.0 !B85 W 
assign (resid  14  and name HB1  ) (resid   12 and name HN   ) 0 0 6.0 !B86 vW
assign (resid  14  and name HB2  ) (resid   12 and name HN   ) 0 0 6.0 !B87 vW
assign (resid  12  and name HG   ) (resid   12 and name HN   ) 0 0 3.5 !B88 M 
assign (resid  12  and name HB1  ) (resid   12 and name HN   ) 0 0 3.5 !B89 M 
assign (resid  12  and name HB2  ) (resid   12 and name HN   ) 0 0 3.5 !B90 M 
assign (resid  12  and name HD** ) (resid   12 and name HN   ) 0 0 6.5 !B92 M 
assign (resid   9  and name HD** ) (resid   12 and name HN   ) 0 0 9.0 !B93 vW

!residue Arg13
assign (resid  12  and name HN   ) (resid   13 and name HN   ) 0 0 3.5 !A14 M
assign (resid  11  and name HA   ) (resid   13 and name HN   ) 0 0 6.0 !B94 vW
assign (resid  12  and name HA   ) (resid   13 and name HN   ) 0 0 3.5 !B95 M
assign (resid  13  and name HA   ) (resid   13 and name HN   ) 0 0 3.5 !B96 M
assign (resid   9  and name HA   ) (resid   13 and name HN   ) 0 0 5.0 !B97 W
assign (resid  13  and name HD*  ) (resid   13 and name HN   ) 0 0 7.0 !B98 vW
assign (resid  13  and name HB1  ) (resid   13 and name HN   ) 0 0 5.0 !B99 M
assign (resid  13  and name HB2  ) (resid   13 and name HN   ) 0 0 5.0 !B102 W
assign (resid  12  and name HG   ) (resid   13 and name HN   ) 0 0 5.0 !B100 W
assign (resid  12  and name HB1  ) (resid   13 and name HN   ) 0 0 5.0 !B101 W
assign (resid  12  and name HB2  ) (resid   13 and name HN   ) 0 0 5.0 !B103 M
assign (resid  12  and name HD** ) (resid   13 and name HN   ) 0 0 8.0 !B105 W
assign (resid  12  and name HA   ) (resid   13 and name HH** ) 0 0 8.0 !B178 W
!assign (resid  10/14 and name HG   ) (resid   13 and name HH** ) 0 0 8.0 !B179 vW
assign (resid  13  and name HD1  ) (resid   13 and name HH** ) 0 0 5.5 !B180 M
assign (resid  13  and name HD2  ) (resid   13 and name HH** ) 0 0 5.5 !B181 M
assign (resid  13  and name HB1  ) (resid   13 and name HH** ) 0 0 7.0 !B182 W
assign (resid  13  and name HB2  ) (resid   13 and name HH** ) 0 0 7.0 !B183 W
assign (resid  13  and name HG*  ) (resid   13 and name HH** ) 0 0 7.0 !B184 W
assign (resid  16  and name HB*  ) (resid   13 and name HA   ) 0 0 4.5 !C18 M  
 
!residue Gla14
assign (resid  13  and name HN   ) (resid   14 and name HN   ) 0 0 3.5 !A8 M 
assign (resid  11  and name HA    ) (resid   14 and name HN   ) 0 0 3.5 !B26 M 
assign (resid  14  and name HA    ) (resid   14 and name HN   ) 0 0 3.5 !B27 M  
assign (resid  13  and name HA    ) (resid   14 and name HN   ) 0 0 5.0 !B28 W 
assign (resid  14  and name HG    ) (resid   14 and name HN   ) 0 0 3.5 !B29 M 
assign (resid  14  and name HB*   ) (resid   14 and name HN   ) 0 0 4.5 !B30 +B31 M
assign (resid  13  and name HB*   ) (resid   14 and name HN   ) 0 0 6.0 !B32(M)+B32(vW)
assign (resid  13  and name HG*   ) (resid   14 and name HN   ) 0 0 6.0 !B34 W 
assign (resid  17  and name HB    ) (resid   14 and name HA   ) 0 0 3.5 !C13 M 
assign (resid  17  and name HG1*  ) (resid   14 and name HA   ) 0 0 6.5 !C14 M 
assign (resid  17  and name HG2*  ) (resid   14 and name HA   ) 0 0 6.5 !C15 W 

!residue Ala15
assign (resid  14  and name HN   ) (resid   15 and name HN   ) 0 0 2.7 ! A6 M
!assign (resid  14/15 and name HA   ) (resid   15 and name HN   ) 0 0     ! B106 OL
assign (resid  11  and name HA   ) (resid   15 and name HN   ) 0 0 6.0 ! B107 vW
assign (resid  13  and name HA   ) (resid   15 and name HN   ) 0 0 6.0 ! B107 vW
!assign (resid 10/14 and name HG   ) (resid   15 and name HN   ) 0 0 5.0 !B108 W
assign (resid  14  and name HB1  ) (resid   15 and name HN   ) 0 0 5.0 !B109 W 
assign (resid  14  and name HB2  ) (resid   15 and name HN   ) 0 0 5.0 !B110 W
assign (resid  15  and name HB*  ) (resid   15 and name HN   ) 0 0 4.3 !B111 S
assign (resid   9  and name HD** ) (resid   15 and name HN   ) 0 0 9.0 !B112 vW

! residue Glu16
assign (resid  15  and name HN   ) (resid   16 and name HN   ) 0 0 2.7 !A23 S 
assign (resid  15  and name HA   ) (resid   16 and name HN   ) 0 0 3.5 !B170 M
assign (resid  16  and name HA   ) (resid   16 and name HN   ) 0 0 3.5 !B171 M
assign (resid  17  and name HA   ) (resid   16 and name HN   ) 0 0 6.0 !B172 vW
assign (resid  16  and name HG*  ) (resid   16 and name HN   ) 0 0 4.5 !B173 M
assign (resid  16  and name HB*  ) (resid   16 and name HN   ) 0 0 3.7 !B174 S
!assign (resid  17/18/19  and name      ) (resid   16 and name HN   ) 0 0     !B175 vW
assign (resid  15  and name HB*  ) (resid   16 and name HN   ) 0 0 5.0 !B176 M
assign (resid  13  and name HA   ) (resid   16 and name HB*  ) 0 0 4.5 !B176 m
assign (resid  17  and name HG** ) (resid   16 and name HN   ) 0 0 9.0 !B177 vW

!residue Val17
assign (resid  16  and name HN   ) (resid   17 and name HN   ) 0 0 3.5 !A27 M 
assign (resid  16  and name HA   ) (resid   17 and name HN   ) 0 0 3.5 !A161 M
assign (resid  14  and name HA   ) (resid   17 and name HN   ) 0 0 5.0 !A161 w
assign (resid  13  and name HA   ) (resid   17 and name HN   ) 0 0 6.0 !A161 vw
assign (resid  17  and name HA   ) (resid   17 and name HN   ) 0 0 2.7 !B149 S
assign (resid  17  and name HB   ) (resid   17 and name HN   ) 0 0 2.7 !B150 S
assign (resid  16  and name HB*  ) (resid   17 and name HN   ) 0 0 6.0 !B151 W
assign (resid  17  and name HG1* ) (resid   17 and name HN   ) 0 0 6.5 !B152 S
assign (resid  17  and name HG2* ) (resid   17 and name HN   ) 0 0 6.5 !B153 S
assign (resid  20  and name HB1  ) (resid   17 and name HA   ) 0 0 5.0 !C11 W 
assign (resid  20  and name HB2  ) (resid   17 and name HA   ) 0 0 5.0 !C12 W 

!residue Lys18
assign (resid  16  and name HN    ) (resid   18 and name HN   ) 0 0 5.0 !A26 W 
assign (resid  18  and name HA    ) (resid   18 and name HN   ) 0 0 3.5 !B125 M
assign (resid  16  and name HA    ) (resid   18 and name HN   ) 0 0 5.0 !B126 W
assign (resid  15  and name HA    ) (resid   18 and name HN   ) 0 0 5.0 !B126 W
assign (resid  17  and name HA    ) (resid   18 and name HN   ) 0 0 5.0 !B127 M  
assign (resid  17  and name HN    ) (resid   18 and name HN   ) 0 0 2.7 !B127 M  
assign (resid  17  and name HB    ) (resid   18 and name HN   ) 0 0 3.5 !B128 M  
assign (resid  18  and name HB*   ) (resid   18 and name HN   ) 0 0 4.5 !B129 M  
assign (resid  18  and name HD*   ) (resid   18 and name HN   ) 0 0 6.0 !B130 W  
assign (resid  18  and name HG*   ) (resid   18 and name HN   ) 0 0 4.5 !B131 M  
assign (resid  17  and name HG1*  ) (resid   18 and name HN   ) 0 0 8.0 !B132 W  
assign (resid  17  and name HG2*  ) (resid   18 and name HN   ) 0 0 8.0 !B133 W  

!residue Lys19
assign (resid  18  and name HN    ) (resid   19 and name HN   ) 0 0 3.5 !A26 M  
assign (resid  20  and name HA    ) (resid   19 and name HN   ) 0 0 6.0 !B134 vW
!assign (resid  18  and name HA    ) (resid   19 and name HN   ) 0 0     !B135 OL
assign (resid  19  and name HA    ) (resid   19 and name HN   ) 0 0 3.5 !B136 M
assign (resid  17  and name HA    ) (resid   19 and name HN   ) 0 0 5.0 !B137 W  
assign (resid  16  and name HA    ) (resid   19 and name HN   ) 0 0 5.0 !B137 W  
assign (resid  19  and name HB1   ) (resid   19 and name HN   ) 0 0 5.0 !B138 S  
assign (resid  19  and name HB2   ) (resid   19 and name HN   ) 0 0 5.0 !B139 W  
assign (resid  19  and name HD*   ) (resid   19 and name HN   ) 0 0 6.0 !B140 W
assign (resid  19  and name HG*   ) (resid   19 and name HD*  ) 0 0 6.0 !B141 W 

!residue Asn20
assign (resid  19  and name HN   ) (resid   20 and name HN   ) 0 0 3.5 ! A15 M
assign (resid  20  and name H1   ) (resid   20 and name HN   ) 0 0 5.0 ! A17 W
assign (resid  20  and name HA   ) (resid   20 and name HN   ) 0 0 3.5 ! B76 M
assign (resid  19  and name HA   ) (resid   20 and name HN   ) 0 0 5.0 ! B77 M
assign (resid  17  and name HA   ) (resid   20 and name HN   ) 0 0 3.5 ! B78 M 
assign (resid  20  and name HB1  ) (resid   20 and name HN   ) 0 0 3.5 ! B79 M 
assign (resid  20  and name HB2  ) (resid   20 and name HN   ) 0 0 3.5 ! B80 M 
assign (resid  17  and name HA   ) (resid   20 and name H1   ) 0 0 6.0 ! B187 vW
assign (resid  20  and name HB*  ) (resid   20 and name H1   ) 0 0 5.0 ! B190 M 
!assign (resid  14/16  and name HB*/HG*  ) (resid   20 and name H1   ) 0 0     ! B191 W 

!residue Ala21
assign (resid  20  and name HN   ) (resid   21 and name HN   ) 0 0 3.5 !A16 M  
assign (resid  21  and name H1   ) (resid   21 and name HN   ) 0 0 3.5 !A22 M  
assign (resid  21  and name H2   ) (resid   21 and name HN   ) 0 0 5.0 !A21 W  
assign (resid  20  and name HA   ) (resid   21 and name HN   ) 0 0 3.5 !B154 W 
assign (resid  21  and name HA   ) (resid   21 and name HN   ) 0 0 3.5 !B155 M 
assign (resid  19  and name HA   ) (resid   21 and name HN   ) 0 0 5.0 !B156 W  
assign (resid  17  and name HA   ) (resid   21 and name HN   ) 0 0 6.0 !B156 vw 
assign (resid  20  and name HB1  ) (resid   21 and name HN   ) 0 0 5.0 !B157 W  
assign (resid  20  and name HB2  ) (resid   21 and name HN   ) 0 0 5.0 !B158 W  
assign (resid  21  and name HB*  ) (resid   21 and name HN   ) 0 0 4.2 !B159 S  
assign (resid  18  and name HA   ) (resid   21 and name HB*  ) 0 0 5.0 !B159 m  

! Terminal NH2
assign (resid  21  and name HA  ) (resid   21 and name H1    ) 0 0 6.0 !B193 vW
assign (resid  19  and name HA  ) (resid   21 and name H1    ) 0 0 6.0 !B194 vW
assign (resid  21  and name HB* ) (resid   21 and name H1    ) 0 0 6.5 !B195 W
assign (resid  21  and name HB* ) (resid   21 and name H2    ) 0 0 7.5 !B201 vW


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