NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
145020 2kby cing 1-original 2 XPLOR/CNS distance hydrogen bond simple


!! H-BONDS; COPYRIGHT BY DANIEL COUTANDIN; ALL RIGHTS RESERVED

!! The following h-bonds could be detected long-range HNCO experimenta (DONE BY FRANK LOEHR)
!! 7 CO - 7  N
!! 5 CO - 9  N
!! 9 CO - 5  N
!! 3 CO - 11 N

!! 12 CO - 16 N
!! 15 CO - 19 N
!! 18 CO - 22 N
!! 19 CO - 23 N

!! 33 CO - 37 N
!! 38 CO - 42 N
!! 41 CO - 45 N


!! The following HN-Protons show low amount of exchange after 5 days
!! This indicates presence of h-bonds
!! 7,9
!! 15,18,19,20,21,22,23,24,25,25,27,28,30
!! 38

!! (3,10) helix in the end of 1st helix?? 



!! segid A: O-HN

!! betasheet
assign   
 ( segid "   A" and resid    7 and name   O )
 ( segid "   B" and resid    7 and name   HN )
    1.800   0.00    0.50
assign
 ( segid "   A" and resid    5 and name   O )
 ( segid "   B" and resid    9 and name   HN )
    1.800   0.00    0.50
assign 
 ( segid "   A" and resid    9 and name   O )
 ( segid "   B" and resid    5 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   A" and resid    3 and name   O )
 ( segid "   B" and resid   11 and name   HN )
    1.800   0.00    0.50


!! 1st alpha helix
assign  
 ( segid "   A" and resid    12 and name   O )
 ( segid "   A" and resid    16 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    13 and name   O )
 ( segid "   A" and resid    17 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    14 and name   O )
 ( segid "   A" and resid    18 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    15 and name   O )
 ( segid "   A" and resid    19 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    16 and name   O )
 ( segid "   A" and resid    20 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   A" and resid    17 and name   O )
 ( segid "   A" and resid    21 and name  HN )
    1.800   0.00    0.50
assign  
 ( segid "   A" and resid    18 and name   O )
 ( segid "   A" and resid    22 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   A" and resid    19 and name   O )
 ( segid "   A" and resid    23 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    20 and name   O )
 ( segid "   A" and resid    24 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    21 and name   O )
 ( segid "   A" and resid    25 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    22 and name   O )
 ( segid "   A" and resid    26 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    23 and name   O )
 ( segid "   A" and resid    27 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   A" and resid    24 and name   O )
 ( segid "   A" and resid    28 and name   HN )
    1.800   0.00    0.50


!! 2nd alpha helix
assign   
 ( segid "   A" and resid    33 and name   O )
 ( segid "   A" and resid    37 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    34 and name   O )
 ( segid "   A" and resid    38 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   A" and resid    35 and name   O )
 ( segid "   A" and resid    39 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    36 and name   O )
 ( segid "   A" and resid    40 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    37 and name   O )
 ( segid "   A" and resid    41 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   A" and resid    38 and name   O )
 ( segid "   A" and resid    42 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   A" and resid    39 and name   O )
 ( segid "   A" and resid    43 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   A" and resid    40 and name   O )
 ( segid "   A" and resid    44 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   A" and resid    41 and name   O )
 ( segid "   A" and resid    45 and name   HN )
    1.800   0.00    0.50


!! segid B: O-HN

!! betasheet
assign  
 ( segid "   B" and resid    7 and name   O )
 ( segid "   A" and resid    7 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    5 and name   O )
 ( segid "   A" and resid    9 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    9 and name   O )
 ( segid "   A" and resid    5 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    3 and name   O )
 ( segid "   A" and resid   11 and name   HN )
    1.800   0.00    0.50


!! 1st alpha helix
assign  
 ( segid "   B" and resid    12 and name   O )
 ( segid "   B" and resid    16 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    13 and name   O )
 ( segid "   B" and resid    17 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    14 and name   O )
 ( segid "   B" and resid    18 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    15 and name   O )
 ( segid "   B" and resid    19 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    16 and name   O )
 ( segid "   B" and resid    20 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    17 and name   O )
 ( segid "   B" and resid    21 and name  HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    18 and name   O )
 ( segid "   B" and resid    22 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    19 and name   O )
 ( segid "   B" and resid    23 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    20 and name   O )
 ( segid "   B" and resid    24 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    21 and name   O )
 ( segid "   B" and resid    25 and name   HN )
    1.800   0.00    0.50
assign 
 ( segid "   B" and resid    22 and name   O )
 ( segid "   B" and resid    26 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    23 and name   O )
 ( segid "   B" and resid    27 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    24 and name   O )
 ( segid "   B" and resid    28 and name   HN )
    1.800   0.00    0.50


!! 2nd alpha helix
assign 
 ( segid "   B" and resid    33 and name   O )
 ( segid "   B" and resid    37 and name   HN )
    1.800   0.00    0.50
assign
 ( segid "   B" and resid    34 and name   O )
 ( segid "   B" and resid    38 and name   HN )
    1.800   0.00    0.50
assign 
 ( segid "   B" and resid    35 and name   O )
 ( segid "   B" and resid    39 and name   HN )
    1.800   0.00    0.50
assign 
 ( segid "   B" and resid    36 and name   O )
 ( segid "   B" and resid    40 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    37 and name   O )
 ( segid "   B" and resid    41 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    38 and name   O )
 ( segid "   B" and resid    42 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    39 and name   O )
 ( segid "   B" and resid    43 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    40 and name   O )
 ( segid "   B" and resid    44 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   B" and resid    41 and name   O )
 ( segid "   B" and resid    45 and name   HN )
    1.800   0.00    0.50



!! segid C: O-HN

!! betasheet
assign  
 ( segid "   C" and resid    7 and name   O )
 ( segid "   D" and resid    7 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   C" and resid    5 and name   O )
 ( segid "   D" and resid    9 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    9 and name   O )
 ( segid "   D" and resid    5 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    3 and name   O )
 ( segid "   D" and resid   11 and name   HN )
    1.800   0.00    0.50


!! 1st alpha helix
assign   
 ( segid "   C" and resid    12 and name   O )
 ( segid "   C" and resid    16 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    13 and name   O )
 ( segid "   C" and resid    17 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    14 and name   O )
 ( segid "   C" and resid    18 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    15 and name   O )
 ( segid "   C" and resid    19 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    16 and name   O )
 ( segid "   C" and resid    20 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   C" and resid    17 and name   O )
 ( segid "   C" and resid    21 and name  HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    18 and name   O )
 ( segid "   C" and resid    22 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   C" and resid    19 and name   O )
 ( segid "   C" and resid    23 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   C" and resid    20 and name   O )
 ( segid "   C" and resid    24 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    21 and name   O )
 ( segid "   C" and resid    25 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    22 and name   O )
 ( segid "   C" and resid    26 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   C" and resid    23 and name   O )
 ( segid "   C" and resid    27 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    24 and name   O )
 ( segid "   C" and resid    28 and name   HN )
    1.800   0.00    0.50


!! 2nd alpha helix
assign  
 ( segid "   C" and resid    33 and name   O )
 ( segid "   C" and resid    37 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   C" and resid    34 and name   O )
 ( segid "   C" and resid    38 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    35 and name   O )
 ( segid "   C" and resid    39 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    36 and name   O )
 ( segid "   C" and resid    40 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    37 and name   O )
 ( segid "   C" and resid    41 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    38 and name   O )
 ( segid "   C" and resid    42 and name   HN )
    1.800   0.00    0.50
assign   
 ( segid "   C" and resid    39 and name   O )
 ( segid "   C" and resid    43 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    40 and name   O )
 ( segid "   C" and resid    44 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   C" and resid    41 and name   O )
 ( segid "   C" and resid    45 and name   HN )
    1.800   0.00    0.50




!! segid D: O-HN

!! betasheet
assign  
 ( segid "   D" and resid    7 and name   O )
 ( segid "   C" and resid    7 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    5 and name   O )
 ( segid "   C" and resid    9 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    9 and name   O )
 ( segid "   C" and resid    5 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    3 and name   O )
 ( segid "   C" and resid   11 and name   HN )
    1.800   0.00    0.50


!! 1st alpha helix
assign  
 ( segid "   D" and resid    12 and name   O )
 ( segid "   D" and resid    16 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    13 and name   O )
 ( segid "   D" and resid    17 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    14 and name   O )
 ( segid "   D" and resid    18 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    15 and name   O )
 ( segid "   D" and resid    19 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    16 and name   O )
 ( segid "   D" and resid    20 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    17 and name   O )
 ( segid "   D" and resid    21 and name  HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    18 and name   O )
 ( segid "   D" and resid    22 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    19 and name   O )
 ( segid "   D" and resid    23 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    20 and name   O )
 ( segid "   D" and resid    24 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    21 and name   O )
 ( segid "   D" and resid    25 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    22 and name   O )
 ( segid "   D" and resid    26 and name   HN )
    1.800   0.00    0.50
assign 
 ( segid "   D" and resid    23 and name   O )
 ( segid "   D" and resid    27 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    24 and name   O )
 ( segid "   D" and resid    28 and name   HN )
    1.800   0.00    0.50


!! 2nd alpha helix
assign  
 ( segid "   D" and resid    33 and name   O )
 ( segid "   D" and resid    37 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    34 and name   O )
 ( segid "   D" and resid    38 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    35 and name   O )
 ( segid "   D" and resid    39 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    36 and name   O )
 ( segid "   D" and resid    40 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    37 and name   O )
 ( segid "   D" and resid    41 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    38 and name   O )
 ( segid "   D" and resid    42 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    39 and name   O )
 ( segid "   D" and resid    43 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    40 and name   O )
 ( segid "   D" and resid    44 and name   HN )
    1.800   0.00    0.50
assign  
 ( segid "   D" and resid    41 and name   O )
 ( segid "   D" and resid    45 and name   HN )
    1.800   0.00    0.50








!! segid A: O-N

!! betasheet
assign 
 ( segid "   A" and resid    7 and name   O )
 ( segid "   B" and resid    7 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    5 and name   O )
 ( segid "   B" and resid    9 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    9 and name   O )
 ( segid "   B" and resid    5 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    3 and name   O )
 ( segid "   B" and resid   11 and name   N )
    2.800   0.10    0.50


!! 1st alpha helix
assign  
 ( segid "   A" and resid    12 and name   O )
 ( segid "   A" and resid    16 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    13 and name   O )
 ( segid "   A" and resid    17 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    14 and name   O )
 ( segid "   A" and resid    18 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    15 and name   O )
 ( segid "   A" and resid    19 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    16 and name   O )
 ( segid "   A" and resid    20 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    17 and name   O )
 ( segid "   A" and resid    21 and name  N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    18 and name   O )
 ( segid "   A" and resid    22 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    19 and name   O )
 ( segid "   A" and resid    23 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    20 and name   O )
 ( segid "   A" and resid    24 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    21 and name   O )
 ( segid "   A" and resid    25 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    22 and name   O )
 ( segid "   A" and resid    26 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    23 and name   O )
 ( segid "   A" and resid    27 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    24 and name   O )
 ( segid "   A" and resid    28 and name   N )
    2.800   0.10    0.50


!! 2nd alpha helix
assign  
 ( segid "   A" and resid    33 and name   O )
 ( segid "   A" and resid    37 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    34 and name   O )
 ( segid "   A" and resid    38 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    35 and name   O )
 ( segid "   A" and resid    39 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    36 and name   O )
 ( segid "   A" and resid    40 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    37 and name   O )
 ( segid "   A" and resid    41 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    38 and name   O )
 ( segid "   A" and resid    42 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    39 and name   O )
 ( segid "   A" and resid    43 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    40 and name   O )
 ( segid "   A" and resid    44 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   A" and resid    41 and name   O )
 ( segid "   A" and resid    45 and name   N )
    2.800   0.10    0.50


!! segid B: O-N

!! betasheet
assign 
 ( segid "   B" and resid    7 and name   O )
 ( segid "   A" and resid    7 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    5 and name   O )
 ( segid "   A" and resid    9 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    9 and name   O )
 ( segid "   A" and resid    5 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    3 and name   O )
 ( segid "   A" and resid   11 and name   N )
    2.800   0.10    0.50


!! 1st alpha helix
assign 
 ( segid "   B" and resid    12 and name   O )
 ( segid "   B" and resid    16 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    13 and name   O )
 ( segid "   B" and resid    17 and name   N )
    2.800   0.10    0.50
assign 
 ( segid "   B" and resid    14 and name   O )
 ( segid "   B" and resid    18 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    15 and name   O )
 ( segid "   B" and resid    19 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    16 and name   O )
 ( segid "   B" and resid    20 and name   N )
    2.800   0.10    0.50
assign 
 ( segid "   B" and resid    17 and name   O )
 ( segid "   B" and resid    21 and name  N )
    2.800   0.10    0.50
assign 
 ( segid "   B" and resid    18 and name   O )
 ( segid "   B" and resid    22 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    19 and name   O )
 ( segid "   B" and resid    23 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    20 and name   O )
 ( segid "   B" and resid    24 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    21 and name   O )
 ( segid "   B" and resid    25 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    22 and name   O )
 ( segid "   B" and resid    26 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    23 and name   O )
 ( segid "   B" and resid    27 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    24 and name   O )
 ( segid "   B" and resid    28 and name   N )
    2.800   0.10    0.50


!! 2nd alpha helix
assign  
 ( segid "   B" and resid    33 and name   O )
 ( segid "   B" and resid    37 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    34 and name   O )
 ( segid "   B" and resid    38 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    35 and name   O )
 ( segid "   B" and resid    39 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    36 and name   O )
 ( segid "   B" and resid    40 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    37 and name   O )
 ( segid "   B" and resid    41 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    38 and name   O )
 ( segid "   B" and resid    42 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    39 and name   O )
 ( segid "   B" and resid    43 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    40 and name   O )
 ( segid "   B" and resid    44 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   B" and resid    41 and name   O )
 ( segid "   B" and resid    45 and name   N )
    2.800   0.10    0.50



!! segid C: O-N

!! betasheet
assign  
 ( segid "   C" and resid    7 and name   O )
 ( segid "   D" and resid    7 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    5 and name   O )
 ( segid "   D" and resid    9 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    9 and name   O )
 ( segid "   D" and resid    5 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    3 and name   O )
 ( segid "   D" and resid   11 and name   N )
    2.800   0.10    0.50


!! 1st alpha helix
assign  
 ( segid "   C" and resid    12 and name   O )
 ( segid "   C" and resid    16 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    13 and name   O )
 ( segid "   C" and resid    17 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    14 and name   O )
 ( segid "   C" and resid    18 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    15 and name   O )
 ( segid "   C" and resid    19 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    16 and name   O )
 ( segid "   C" and resid    20 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    17 and name   O )
 ( segid "   C" and resid    21 and name  N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    18 and name   O )
 ( segid "   C" and resid    22 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    19 and name   O )
 ( segid "   C" and resid    23 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    20 and name   O )
 ( segid "   C" and resid    24 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    21 and name   O )
 ( segid "   C" and resid    25 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    22 and name   O )
 ( segid "   C" and resid    26 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    23 and name   O )
 ( segid "   C" and resid    27 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    24 and name   O )
 ( segid "   C" and resid    28 and name   N )
    2.800   0.10    0.50


!! 2nd alpha helix
assign  
 ( segid "   C" and resid    33 and name   O )
 ( segid "   C" and resid    37 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    34 and name   O )
 ( segid "   C" and resid    38 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    35 and name   O )
 ( segid "   C" and resid    39 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    36 and name   O )
 ( segid "   C" and resid    40 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    37 and name   O )
 ( segid "   C" and resid    41 and name   N )
    2.800   0.10    0.50
assign 
 ( segid "   C" and resid    38 and name   O )
 ( segid "   C" and resid    42 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    39 and name   O )
 ( segid "   C" and resid    43 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    40 and name   O )
 ( segid "   C" and resid    44 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   C" and resid    41 and name   O )
 ( segid "   C" and resid    45 and name   N )
    2.800   0.10    0.50




!! segid D: O-N

!! betasheet
assign  
 ( segid "   D" and resid    7 and name   O )
 ( segid "   C" and resid    7 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    5 and name   O )
 ( segid "   C" and resid    9 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    9 and name   O )
 ( segid "   C" and resid    5 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    3 and name   O )
 ( segid "   C" and resid   11 and name   N )
    2.800   0.10    0.50


!! 1st alpha helix
assign  
 ( segid "   D" and resid    12 and name   O )
 ( segid "   D" and resid    16 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    13 and name   O )
 ( segid "   D" and resid    17 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    14 and name   O )
 ( segid "   D" and resid    18 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    15 and name   O )
 ( segid "   D" and resid    19 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    16 and name   O )
 ( segid "   D" and resid    20 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    17 and name   O )
 ( segid "   D" and resid    21 and name  N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    18 and name   O )
 ( segid "   D" and resid    22 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    19 and name   O )
 ( segid "   D" and resid    23 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    20 and name   O )
 ( segid "   D" and resid    24 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    21 and name   O )
 ( segid "   D" and resid    25 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    22 and name   O )
 ( segid "   D" and resid    26 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    23 and name   O )
 ( segid "   D" and resid    27 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    24 and name   O )
 ( segid "   D" and resid    28 and name   N )
    2.800   0.10    0.50


!! 2nd alpha helix
assign  
 ( segid "   D" and resid    33 and name   O )
 ( segid "   D" and resid    37 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    34 and name   O )
 ( segid "   D" and resid    38 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    35 and name   O )
 ( segid "   D" and resid    39 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    36 and name   O )
 ( segid "   D" and resid    40 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    37 and name   O )
 ( segid "   D" and resid    41 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    38 and name   O )
 ( segid "   D" and resid    42 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    39 and name   O )
 ( segid "   D" and resid    43 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    40 and name   O )
 ( segid "   D" and resid    44 and name   N )
    2.800   0.10    0.50
assign  
 ( segid "   D" and resid    41 and name   O )
 ( segid "   D" and resid    45 and name   N )
    2.800   0.10    0.50


















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