*HEADER    DE NOVO PROTEIN                         18-SEP-14   2MUZ              
*TITLE     SSNMR STRUCTURE OF A DESIGNED ROCKER PROTEIN                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DESIGNED ROCKER PROTEIN;                                   
*COMPND   3 CHAIN: A, B, C, D;                                                   
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    SSNMR, ROCKER PROTEIN, DE NOVO DESGIN, DE NOVO PROTEIN                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    T.WANG, N.JOH, Y.WU, W.F.DEGRADO, M.HONG                              
*REVDAT   1   24-DEC-14 2MUZ    0                                                


#  Model-independent best-fit of the data using a rectangular structure gives a short distance of 8+-1 A and a long distance of 13 (+2 and -1) A.So, it is a combination of 7-9 A with 12-15A.

! a short distance of 8+-1 A
assign (segid  a  and resid   14 and name   F19) 
     ( (segid  b  and  resid  14  and name  F19)  or 
       (segid  c  and  resid  14  and name  F19)  or 
       (segid  d  and  resid  14  and name  F19)  )  8.00  1.00  1.00 

! a long distance of 13 (+2 and -1) A
assign (segid  a  and resid   14 and name   F19) 
     ( (segid  b  and  resid  14  and name  F19)  or 
       (segid  c  and  resid  14  and name  F19)  or 
       (segid  d  and  resid  14  and name  F19)  )  13.0  1.00  2.00 

  Entry H atom name         Submitted Coord H atom name