*HEADER   LEUCINE ZIPPER                          15-APR-98   1A93    
*TITLE    NMR SOLUTION STRUCTURE OF THE C-MYC-MAX HETERODIMERIC       
*TITLE   2 LEUCINE ZIPPER, NMR, MINIMIZED AVERAGE STRUCTURE           
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: C-MYC-MAX;                                       
*COMPND  3 CHAIN: A, B;                                               
*COMPND  4 FRAGMENT: HETERODIMERIC LEUCINE ZIPPER;                    
*COMPND  5 SYNONYM: COILED COIL, LZ;                                  
*COMPND  6 ENGINEERED: YES;                                           
*COMPND  7 BIOLOGICAL_UNIT: HETERODIMER;                              
*COMPND  8 OTHER_DETAILS: BOTH C-MYC (CHAIN A) AND MAX (CHAIN B) HAVE 
*COMPND  9 A NON-BIOLOGICAL CGG LINKER AT THE N-TERMINUS OF THE       
*COMPND 10 PROTEIN                                                    
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 FRAGMENT: CHAIN A;                                         
*SOURCE  4 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE  5 ORGANISM_COMMON: HUMAN;                                    
*SOURCE  6 FRAGMENT: CHAIN B;                                         
*SOURCE  7 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                         
*SOURCE  8 ORGANISM_COMMON: MOUSE                                     
*KEYWDS   LEUCINE ZIPPER, 2D NMR, SOLUTION STRUCTURE, H-BONDS,        
*KEYWDS  2 BURIED SALT BRIDGE, PROTO-ONCOGENE, NUCLEAR PROTEIN        
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   P.LAVIGNE,M.P.CRUMP,S.M.GAGNE,R.S.HODGES,C.M.KAY,B.D.SYKES  
*REVDAT  2   18-NOV-98 1A93A   2       SOURCE COMPND REMARK TITLE     
*REVDAT  2 2                   2       DBREF  SEQADV JRNL   EXPDTA    
*REVDAT  2 3                   2       KEYWDS HEADER CONECT SLTBRG    
*REVDAT  1   21-OCT-98 1A93    0                                      
 

!a INTRaMONOMER NOES

clas sequential

!a.1.1 short range interresidue (|i - j| <= 5) NOEs: intramonomer a

!CaH(i)-NH(i+1) (includes Noes to CdH and CaH of Pro)

assign ( resid  6 and name HA and segid "a" )( resid  7 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 8 and name HA and segid "a" )( resid  9 and name HN and segid "a" ) 3.5 1.7 1.0
assign ( resid 14 and name HA and segid "a" )( resid 15 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 15 and name HA and segid "a" )( resid 16 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 17 and name HA and segid "a" )( resid 18 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 18 and name HA and segid "a" )( resid 19 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 19 and name HA and segid "a" )( resid 20 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 23 and name HA and segid "a" )( resid 24 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 26 and name HA and segid "a" )( resid 27 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 29 and name HA and segid "a" )( resid 30 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 33 and name HA and segid "a" )( resid 34 and name HN and segid "a" ) 3.5 1.7 0.5

!NH(i)-NH(i+1) NOEs (includes NOEs to Pro CdH)

assign ( resid  6 and name HN and segid "a" )( resid  7 and name HN and segid "a" ) 3.0 1.2 0.5
assign ( resid  9 and name HN and segid "a" )( resid 10 and name HN and segid "a" ) 2.5 0.7 0.5
assign ( resid 10 and name HN and segid "a" )( resid 11 and name HN and segid "a" ) 2.5 0.7 0.5
assign ( resid 14 and name HN and segid "a" )( resid 15 and name HN and segid "a" ) 3.0 1.2 0.5
assign ( resid 15 and name HN and segid "a" )( resid 16 and name HN and segid "a" ) 3.0 1.2 0.5
assign ( resid 16 and name HN and segid "a" )( resid 17 and name HN and segid "a" ) 3.0 1.2 0.5
assign ( resid 17 and name HN and segid "a" )( resid 18 and name HN and segid "a" ) 3.0 1.2 0.5
assign ( resid 18 and name HN and segid "a" )( resid 19 and name HN and segid "a" ) 2.5 0.7 0.5
assign ( resid 24 and name HN and segid "a" )( resid 25 and name HN and segid "a" ) 2.5 0.7 0.5
assign ( resid 25 and name HN and segid "a" )( resid 26 and name HN and segid "a" ) 2.5 0.7 0.5
assign ( resid 26 and name HN and segid "a" )( resid 27 and name HN and segid "a" ) 2.5 0.7 0.5
assign ( resid 28 and name HN and segid "a" )( resid 29 and name HN and segid "a" ) 2.5 0.7 0.5
assign ( resid 31 and name HN and segid "a" )( resid 32 and name HN and segid "a" ) 2.5 0.7 0.5
assign ( resid 32 and name HN and segid "a" )( resid 33 and name HN and segid "a" ) 2.5 0.7 0.5
assign ( resid 33 and name HN and segid "a" )( resid 34 and name HN and segid "a" ) 2.5 0.7 0.5

!CbH(i)-NH(i+1)

assign ( resid  6 and name HB  and segid "a" )( resid  7 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid  8 and name HB* and segid "a" )( resid  9 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 10 and name HB* and segid "a" )( resid 11 and name HN and segid "a" ) 3.5 1.2 1.0
assign ( resid 11 and name HB* and segid "a" )( resid 12 and name HN and segid "a" ) 3.5 1.2 1.0
assign ( resid 13 and name HB1 and segid "a" )( resid 14 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 13 and name HB2 and segid "a" )( resid 14 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 14 and name HB  and segid "a" )( resid 15 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 15 and name HB* and segid "a" )( resid 16 and name HN and segid "a" ) 3.5 1.7 1.0
assign ( resid 18 and name HB1 and segid "a" )( resid 19 and name HN and segid "a" ) 4.0 2.2 1.0
assign ( resid 18 and name HB2 and segid "a" )( resid 19 and name HN and segid "a" ) 4.0 2.2 1.0
assign ( resid 19 and name HB1 and segid "a" )( resid 20 and name HN and segid "a" ) 4.0 2.2 1.0
assign ( resid 19 and name HB2 and segid "a" )( resid 20 and name HN and segid "a" ) 4.0 2.2 1.0
assign ( resid 20 and name HB1 and segid "a" )( resid 21 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 20 and name HB2 and segid "a" )( resid 21 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 23 and name HB* and segid "a" )( resid 24 and name HN and segid "a" ) 3.5 1.7 1.0
assign ( resid 24 and name HB1 and segid "a" )( resid 25 and name HN and segid "a" ) 3.5 1.7 1.0
assign ( resid 24 and name HB2 and segid "a" )( resid 25 and name HN and segid "a" ) 3.5 1.7 1.0
assign ( resid 25 and name HB* and segid "a" )( resid 26 and name HN and segid "a" ) 3.5 1.7 1.0
assign ( resid 27 and name HB1 and segid "a" )( resid 28 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 27 and name HB2 and segid "a" )( resid 28 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 29 and name HB* and segid "a" )( resid 30 and name HN and segid "a" ) 2.8 1.0 1.0
assign ( resid 31 and name HB2 and segid "a" )( resid 32 and name HN and segid "a" ) 3.0 1.7 0.5
assign ( resid 33 and name HB* and segid "a" )( resid 34 and name HN and segid "a" ) 3.5 1.7 1.0

!a.1.2 short range interresidue (|i - j| <= 5) NOES: intramonomer  segid b

!CaH(i)-NH(i+1) (includes Noes to CdH and CaH of Pro)
assign ( resid 10 and name HA and segid "b" )( resid 11 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 11 and name HA and segid "b" )( resid 12 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 12 and name HA and segid "b" )( resid 13 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 13 and name HA and segid "b" )( resid 14 and name HN and segid "b" ) 3.5 1.7 0.0
assign ( resid 17 and name HA and segid "b" )( resid 18 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 18 and name HA and segid "b" )( resid 19 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 19 and name HA and segid "b" )( resid 20 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 21 and name HA and segid "b" )( resid 22 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 23 and name HA and segid "b" )( resid 24 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 24 and name HA and segid "b" )( resid 25 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 25 and name HA and segid "b" )( resid 26 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 27 and name HA and segid "b" )( resid 28 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 28 and name HA and segid "b" )( resid 29 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 29 and name HA and segid "b" )( resid 30 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 30 and name HA and segid "b" )( resid 31 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 31 and name HA and segid "b" )( resid 32 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 32 and name HA and segid "b" )( resid 33 and name HN and segid "b" ) 3.5 1.7 0.5

!NH(i)-NH(i+1) NOEs (includes NOEs to Pro CdH)

assign ( resid 11 and name HN and segid "b" )( resid 12 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 12 and name HN and segid "b" )( resid 13 and name HN and segid "b" ) 3.0 1.2 0.5
assign ( resid 13 and name HN and segid "b" )( resid 14 and name HN and segid "b" ) 3.0 1.2 0.5
assign ( resid 14 and name HN and segid "b" )( resid 15 and name HN and segid "b" ) 3.0 1.2 0.5
assign ( resid 16 and name HN and segid "b" )( resid 17 and name HN and segid "b" ) 3.0 1.2 0.5
assign ( resid 18 and name HN and segid "b" )( resid 19 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 19 and name HN and segid "b" )( resid 20 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 20 and name HN and segid "b" )( resid 21 and name HN and segid "b" ) 3.0 1.2 0.5
assign ( resid 21 and name HN and segid "b" )( resid 22 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 22 and name HN and segid "b" )( resid 23 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 23 and name HN and segid "b" )( resid 24 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 24 and name HN and segid "b" )( resid 25 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 25 and name HN and segid "b" )( resid 26 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 26 and name HN and segid "b" )( resid 27 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 27 and name HN and segid "b" )( resid 28 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 28 and name HN and segid "b" )( resid 29 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 29 and name HN and segid "b" )( resid 30 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 30 and name HN and segid "b" )( resid 31 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 31 and name HN and segid "b" )( resid 32 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 32 and name HN and segid "b" )( resid 33 and name HN and segid "b" ) 2.5 0.7 0.5
assign ( resid 33 and name HN and segid "b" )( resid 34 and name HN and segid "b" ) 2.5 0.7 0.5

!CbH(i)-NH(i+1)

assign ( resid 10 and name HB2 and segid "b" )( resid 11 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 11 and name HB1 and segid "b" )( resid 12 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 11 and name HB2 and segid "b" )( resid 12 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 12 and name HB  and segid "b" )( resid 13 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 13 and name HB1 and segid "b" )( resid 14 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 13 and name HB2 and segid "b" )( resid 14 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 14 and name HB* and segid "b" )( resid 15 and name HN and segid "b" ) 3.5 2.2 1.5
assign ( resid 16 and name HB1 and segid "b" )( resid 17 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 16 and name HB2 and segid "b" )( resid 17 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 17 and name HB  and segid "b" )( resid 18 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 18 and name HB* and segid "b" )( resid 19 and name HN and segid "b" ) 4.0 2.2 1.5
assign ( resid 19 and name HB1 and segid "b" )( resid 20 and name HN and segid "b" ) 3.0 1.2 0.5
assign ( resid 19 and name HB2 and segid "b" )( resid 20 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 20 and name HB1 and segid "b" )( resid 21 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 20 and name HB2 and segid "b" )( resid 21 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 21 and name HB* and segid "b" )( resid 22 and name HN and segid "b" ) 3.5 1.7 1.5
assign ( resid 22 and name HB* and segid "b" )( resid 23 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 23 and name HB* and segid "b" )( resid 24 and name HN and segid "b" ) 3.5 1.7 1.5
assign ( resid 24 and name HB1 and segid "b" )( resid 25 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 24 and name HB2 and segid "b" )( resid 25 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 25 and name HB* and segid "b" )( resid 26 and name HN and segid "b" ) 3.5 1.7 1.0
assign ( resid 26 and name HB* and segid "b" )( resid 27 and name HN and segid "b" ) 3.5 1.0 1.0
assign ( resid 27 and name HB1 and segid "b" )( resid 28 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 27 and name HB2 and segid "b" )( resid 28 and name HN and segid "b" ) 3.0 1.2 0.5
assign ( resid 28 and name HB1 and segid "b" )( resid 29 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 28 and name HB2 and segid "b" )( resid 29 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 30 and name HB* and segid "b" )( resid 31 and name HN and segid "b" ) 3.5 1.7 1.5
assign ( resid 31 and name HB  and segid "b" )( resid 32 and name HN and segid "b" ) 3.5 1.7 0.5
assign ( resid 33 and name HB* and segid "b" )( resid 34 and name HN and segid "b" ) 3.5 1.7 1.0


clas short

!CaH(i)-NH(i+3)

assign ( resid  7 and name HA and segid "a" )( resid 10 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid  8 and name HA and segid "a" )( resid 11 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 10 and name HA and segid "a" )( resid 13 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 12 and name HA and segid "a" )( resid 15 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 14 and name HA and segid "a" )( resid 17 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 15 and name HA and segid "a" )( resid 18 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 18 and name HA and segid "a" )( resid 21 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 20 and name HA and segid "a" )( resid 23 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 24 and name HA and segid "a" )( resid 27 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 25 and name HA and segid "a" )( resid 28 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 26 and name HA and segid "a" )( resid 29 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 29 and name HA and segid "a" )( resid 32 and name HN and segid "a" ) 4.0 2.2 0.5

!CaH(i)-NH(i+4)

assign ( resid  6 and name HA and segid "a" )( resid 10 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 10 and name HA and segid "a" )( resid 14 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 13 and name HA and segid "a" )( resid 17 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 14 and name HA and segid "a" )( resid 18 and name HN and segid "a" ) 4.0 2.2 0.5
assign ( resid 29 and name HA and segid "a" )( resid 33 and name HN and segid "a" ) 4.0 2.2 0.5

!CaH(i)-CbH(i+3)

assign ( resid  6 and name HA and segid "a" )( resid  9 and name HB* and segid "a" ) 4.0 2.2 1.5
assign ( resid  7 and name HA and segid "a" )( resid 10 and name HB1 and segid "a" ) 4.0 2.2 0.5
assign ( resid  7 and name HA and segid "a" )( resid 10 and name HB2 and segid "a" ) 4.0 2.2 0.5
assign ( resid 11 and name HA and segid "a" )( resid 14 and name HB  and segid "a" ) 4.0 1.0 0.5
assign ( resid 12 and name HA and segid "a" )( resid 15 and name HB  and segid "a" ) 2.8 1.0 0.5
assign ( resid 14 and name HA and segid "a" )( resid 17 and name HB* and segid "a" ) 4.0 2.2 1.0
assign ( resid 15 and name HA and segid "a" )( resid 18 and name HB1 and segid "a" ) 2.8 1.0 0.5
assign ( resid 15 and name HA and segid "a" )( resid 18 and name HB2 and segid "a" ) 2.8 1.0 0.5
assign ( resid 18 and name HA and segid "a" )( resid 21 and name HB1 and segid "a" ) 4.0 2.2 0.5
assign ( resid 18 and name HA and segid "a" )( resid 21 and name HB2 and segid "a" ) 4.0 2.2 0.5
assign ( resid 23 and name HA and segid "a" )( resid 26 and name HB* and segid "a" ) 4.0 2.2 1.0
assign ( resid 26 and name HA and segid "a" )( resid 29 and name HB* and segid "a" ) 2.8 1.0 1.0
assign ( resid 29 and name HA and segid "a" )( resid 32 and name HB* and segid "a" ) 4.0 2.2 1.0


!asp-18

assign ( resid 18 and name HA and segid "a" )( resid 21 and name HD* and segid "a" ) 2.8 1.0 1.5
assign ( resid 18 and name HA and segid "a" )( resid 21 and name HG1 and segid "a" ) 4.0 2.2 0.5
assign ( resid 18 and name HA and segid "a" )( resid 21 and name HG2 and segid "a" ) 4.0 2.2 0.5
assign ( resid 18 and name HA and segid "a" )( resid 21 and name HE and segid "a" ) 4.0 2.2 0.5

!Ile-14

assign ( resid 14 and name HD1* and segid "a" )( resid 11 and name HA  and segid "a" ) 3.5 1.7 1.0
assign ( resid 14 and name HG2* and segid "a" )( resid 15 and name HA  and segid "a" ) 3.5 1.7 1.0
assign ( resid 14 and name HG2* and segid "a" )( resid 15 and name HN  and segid "a" ) 3.5 1.7 1.0
assign ( resid 14 and name HG1* and segid "a" )( resid 15 and name HN  and segid "a" ) 3.5 1.7 1.0
assign ( resid 14 and name HD1* and segid "a" )( resid 15 and name HN  and segid "a" ) 4.5 2.7 1.0
assign ( resid 14 and name HD1* and segid "a" )( resid 10 and name HG* and segid "a" ) 3.5 1.7 1.5
assign ( resid 14 and name HD1* and segid "a" )( resid 10 and name HB* and segid "a" ) 4.5 2.7 1.5

!Arg-23

assign ( resid 23 and name HE   and segid "a" )( resid 27 and name HD1* and segid "a" ) 4.0 2.2 1.0
assign ( resid 23 and name HE   and segid "a" )( resid 27 and name HD2* and segid "a" ) 4.0 2.2 1.0
assign ( resid 23 and name HD*  and segid "a" )( resid 27 and name HD1* and segid "a" ) 4.0 2.2 1.5



!His-29

assign ( resid 29 and name HD2  and segid "a" )( resid 26 and name HA  and segid "a" ) 3.5 1.7 0.5
assign ( resid 29 and name HD2  and segid "a" )( resid 26 and name HG* and segid "a" ) 4.5 2.7 0.5
assign ( resid 29 and name HD2  and segid "a" )( resid 26 and name HB* and segid "a" ) 4.5 2.7 0.5



!CaH(i)-NH(i+3)
assign ( resid  7 and name HA and segid "b" )( resid 10 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid  8 and name HA and segid "b" )( resid 11 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 10 and name HA and segid "b" )( resid 13 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 11 and name HA and segid "b" )( resid 14 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 13 and name HA and segid "b" )( resid 16 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 14 and name HA and segid "b" )( resid 17 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 15 and name HA and segid "b" )( resid 18 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 16 and name HA and segid "b" )( resid 19 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 17 and name HA and segid "b" )( resid 20 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 18 and name HA and segid "b" )( resid 21 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 19 and name HA and segid "b" )( resid 22 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 20 and name HA and segid "b" )( resid 23 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 21 and name HA and segid "b" )( resid 24 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 22 and name HA and segid "b" )( resid 25 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 23 and name HA and segid "b" )( resid 26 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 24 and name HA and segid "b" )( resid 27 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 25 and name HA and segid "b" )( resid 28 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 26 and name HA and segid "b" )( resid 29 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 27 and name HA and segid "b" )( resid 30 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 28 and name HA and segid "b" )( resid 31 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 30 and name HA and segid "b" )( resid 33 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 31 and name HA and segid "b" )( resid 34 and name HN and segid "b" ) 4.0 2.2 0.5

!CaH(i)-NH(i+4)

assign ( resid 10 and name HA and segid "b" )( resid 14 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 13 and name HA and segid "b" )( resid 17 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 14 and name HA and segid "b" )( resid 18 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 17 and name HA and segid "b" )( resid 21 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 18 and name HA and segid "b" )( resid 22 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 19 and name HA and segid "b" )( resid 23 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 20 and name HA and segid "b" )( resid 24 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 21 and name HA and segid "b" )( resid 25 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 24 and name HA and segid "b" )( resid 28 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 26 and name HA and segid "b" )( resid 30 and name HN and segid "b" ) 4.0 2.2 0.5
assign ( resid 28 and name HA and segid "b" )( resid 32 and name HN and segid "b" ) 4.0 2.2 0.5

!CaH(i)-CbH(i+3)

assign ( resid  7 and name HA and segid "b" )( resid 10 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid  7 and name HA and segid "b" )( resid 10 and name HB2 and segid "b" ) 4.0 2.2 0.5
assign ( resid  8 and name HA and segid "b" )( resid 11 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid  8 and name HA and segid "b" )( resid 11 and name HB2 and segid "b" ) 4.0 2.2 0.5
assign ( resid 10 and name HA and segid "b" )( resid 13 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 10 and name HA and segid "b" )( resid 13 and name HB2 and segid "b" ) 4.0 2.2 0.5
assign ( resid 11 and name HA and segid "b" )( resid 14 and name HB* and segid "b" ) 4.0 2.2 1.5
assign ( resid 13 and name HA and segid "b" )( resid 16 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 13 and name HA and segid "b" )( resid 16 and name HB2 and segid "b" ) 4.0 2.2 0.5
assign ( resid 15 and name HA and segid "b" )( resid 18 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 15 and name HA and segid "b" )( resid 18 and name HB2 and segid "b" ) 4.0 2.2 0.5
assign ( resid 16 and name HA and segid "b" )( resid 19 and name HB* and segid "b" ) 4.0 2.2 1.0
assign ( resid 17 and name HA and segid "b" )( resid 20 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 17 and name HA and segid "b" )( resid 20 and name HB2 and segid "b" ) 2.8 1.0 0.5
assign ( resid 18 and name HA and segid "b" )( resid 21 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 18 and name HA and segid "b" )( resid 21 and name HB2 and segid "b" ) 4.0 2.2 0.5
assign ( resid 19 and name HA and segid "b" )( resid 22 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 19 and name HA and segid "b" )( resid 22 and name HB2 and segid "b" ) 4.0 2.2 0.5
assign ( resid 21 and name HA and segid "b" )( resid 24 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 21 and name HA and segid "b" )( resid 24 and name HB2 and segid "b" ) 2.8 1.0 0.5
assign ( resid 24 and name HA and segid "b" )( resid 27 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 24 and name HA and segid "b" )( resid 27 and name HB2 and segid "b" ) 2.8 1.0 0.5
assign ( resid 28 and name HA and segid "b" )( resid 31 and name HB  and segid "b" ) 2.8 1.0 0.5
assign ( resid 31 and name HA and segid "b" )( resid 34 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 31 and name HA and segid "b" )( resid 34 and name HB2 and segid "b" ) 4.0 2.2 0.5

!asn-10
assign ( resid 10 and name HA and segid "b" )( resid 13 and name HD2 and segid "b" ) 2.5 0.7 0.5

!Thr-12 HG*
!assign ( resid 12 and name HG* and segid "b" )( resid 13 and name HB* and segid "b" ) 4.0 1.2 1.5
assign ( resid 12 and name HG* and segid "b" )( resid  9 and name HA and segid "b" ) 4.0 2.2 1.0

!His-13 HD2
assign ( resid 13 and name HD2 and segid "b" )( resid 10 and name HA  and segid "b" ) 2.5 0.7 0.5
assign ( resid 13 and name HD2 and segid "b" )( resid 10 and name HB* and segid "b" ) 4.0 2.2 1.0

!Ile-17
assign ( resid 17 and name HA   and segid "b" )( resid 20 and name HD1* and segid "b" ) 3.0 1.2 0.5
assign ( resid 17 and name HA   and segid "b" )( resid 20 and name HG   and segid "b" ) 3.5 1.7 0.5
assign ( resid 17 and name HG2* and segid "b" )( resid 18 and name HA   and segid "b" ) 3.0 1.2 0.5

!Asp-18
assign ( resid 18 and name HA and segid "b" )( resid 21 and name HG* and segid "b" ) 4.0 2.2 1.0

!Gln-23
assign ( resid 23 and name HE22 and segid "b" )( resid 27 and name HD2* and segid "b" ) 4.0 2.2 1.0

!Asn-24
assign ( resid 24 and name HA and segid "b" )( resid 27 and name HD1* and segid "b" ) 3.5 1.7 1.0
!assign ( resid 24 and name HD21 and segid "b" )( resid 21 and name HA and segid "b" ) 4.5 2.7 0.5

!Glu-28
assign ( resid 28 and name HG* and segid "b" )( resid 29 and name HN   and segid "b" ) 3.5 1.7 0.5
assign ( resid 28 and name HA  and segid "b" )( resid 31 and name HG1* and segid "b" ) 3.5 1.7 1.0

!Val-31

assign ( resid 31 and name HG1* and segid "b" )( resid 32 and name HN and segid "b" ) 3.5 1.7 1.0
assign ( resid 31 and name HG2* and segid "b" )( resid 32 and name HN and segid "b" ) 4.5 2.7 1.0
assign ( resid 31 and name HA   and segid "b" )( resid 34 and name HD* and segid "b" ) 4.0 2.2 2.0


class intra

!a.3.1 Intraresidue: intramonomer a

! Val-6
assign ( resid 6 and name HN and segid "a" )( resid 6 and name HB   and segid "a" ) 2.5 0.7 0.5
assign ( resid 6 and name HN and segid "a" )( resid 6 and name HA   and segid "a" ) 3.0 1.2 0.5
assign ( resid 6 and name HA and segid "a" )( resid 6 and name HG1* and segid "a" ) 3.5 1.7 1.0
assign ( resid 6 and name HA and segid "a" )( resid 6 and name HG2* and segid "a" ) 3.5 1.7 1.0
assign ( resid 6 and name HA and segid "a" )( resid 6 and name HB   and segid "a" ) 3.0 1.2 0.5

! Gln-7 No Chi-1 set for this residue. I cannot see this on exp9, h2o NOESY.
assign ( resid 7 and name HN and segid "a" )( resid 7 and name HA  and segid "a" ) 3.0 1.2 0.5

! Ala-8 Chi-1 N/A
assign ( resid 8 and name HN and segid "a" )( resid 8 and name HA  and segid "a" ) 3.0 1.2 0.5

! Glu-9 No Chi-1 set for this residue.

! Glu-10 No Chi-1 set for this residue.
! Can see potential HN/HA, but no HN/HB signals
assign ( resid 10 and name HN and segid "a" )( resid 10 and name HA  and segid "a" ) 3.0 1.2 0.5

! Gln-11 No Chi-1 set for this residue. HA shift may be wrong.

! Lys-12 No Chi-1 set for this residue. Bad region. Hard to assign anything here with any certainty.

!Leu-13 Chi-1 set to -60
assign ( resid 13 and name HN and segid "a" )( resid 13 and name HB1 and segid "a" ) 3.5 0.5 0.5
assign ( resid 13 and name HN and segid "a" )( resid 13 and name HB2 and segid "a" ) 2.5 0.7 0.5
assign ( resid 13 and name HA and segid "a" )( resid 13 and name HD2* and segid "a" ) 2.5 0.7 1.0
assign ( resid 13 and name HA and segid "a" )( resid 13 and name HD1* and segid "a" ) 4.0 2.2 1.0

!Ile-14 Chi-1 set to -60
assign ( resid 14 and name HN and segid "a" )( resid 14 and name HA   and segid "a" ) 3.5 1.7 0.5
assign ( resid 14 and name HN and segid "a" )( resid 14 and name HB   and segid "a" ) 2.5 0.7 0.5
assign ( resid 14 and name HA and segid "a" )( resid 14 and name HB   and segid "a" ) 3.5 1.7 0.5
assign ( resid 14 and name HA and segid "a" )( resid 14 and name HD1* and segid "a" ) 4.5 2.7 1.0
assign ( resid 14 and name HA and segid "a" )( resid 14 and name HG2* and segid "a" ) 3.0 1.2 1.0

!Ser-15
assign ( resid 15 and name HA and segid "a" )( resid 15 and name HN   and segid "a" ) 3.5 1.7 0.5

!Glu-16
!Glu-17
!Asp-18 No Chi-1 set for this residue. HN/HB NOES and HA/HB NOES both strong. Good sign of disordered.
assign ( resid 16 and name HA and segid "a" )( resid 16 and name HN   and segid "a" ) 3.0 1.2 0.5
 
!Leu-19 No Chi-1 set for this residue. Cannot see HN-HB NOES at 150ms. Ovlp.
assign ( resid 19 and name HA and segid "a" )( resid 19 and name HN   and segid "a" ) 2.5 0.7 0.5

!Leu-20 Chi-1 set to -60
assign ( resid 20 and name HN and segid "a" )( resid 20 and name HA  and segid "a" ) 3.0 1.2 0.5
assign ( resid 20 and name HN and segid "a" )( resid 20 and name HB1 and segid "a" ) 3.5 1.7 0.5
assign ( resid 20 and name HN and segid "a" )( resid 20 and name HB2 and segid "a" ) 2.5 0.7 0.5
assign ( resid 20 and name HN and segid "a" )( resid 20 and name Hb1 and segid "a" ) 3.0 1.2 0.5

!Arg-21 No Chi-1 set for this resdiue.
assign ( resid 21 and name HA and segid "a" )( resid 21 and name HN   and segid "a" ) 2.5 0.7 0.5
assign ( resid 21 and name HN and segid "a" )( resid 21 and name HB*  and segid "a" ) 3.0 1.2 1.5

!Lys-22
!Arg-23
assign ( resid 23 and name HN and segid "a" )( resid 23 and name HA   and segid "a" ) 2.5 0.7 0.5
assign ( resid 23 and name HN and segid "a" )( resid 23 and name HB*  and segid "a" ) 3.0 1.2 1.5

!Arg-24 No Chi-1 set.
assign ( resid 24 and name HN and segid "a" )( resid 24 and name HA    and segid "a" ) 2.5 0.7 0.5
assign ( resid 24 and name HN and segid "a" )( resid 24 and name HB*   and segid "a" ) 3.0 1.2 1.5

!Glu-25 No Chi-1 set.
assign ( resid 25 and name HN and segid "a" )( resid 25 and name HA    and segid "a" ) 3.0 1.2 0.5
assign ( resid 25 and name HN and segid "a" )( resid 25 and name HB*   and segid "a" ) 3.0 1.2 1.5
assign ( resid 25 and name HN and segid "a" )( resid 25 and name HG*   and segid "a" ) 3.5 1.7 1.5

!Gln-26 No Chi-1 set.
assign ( resid 26 and name HN and segid "a" )( resid 26 and name HA    and segid "a" ) 2.5 0.7 0.5
assign ( resid 26 and name HN and segid "a" )( resid 26 and name HB*   and segid "a" ) 3.0 1.2 1.5
assign ( resid 26 and name HN and segid "a" )( resid 26 and name HG*   and segid "a" ) 4.0 2.2 1.5


!Leu-27 Chi-1 set to -60.
assign ( resid 27 and name HN and segid "a" )( resid 27 and name HB1 and segid "a" ) 3.5 1.7 0.5
assign ( resid 27 and name HN and segid "a" )( resid 27 and name HB2 and segid "a" ) 2.5 0.7 0.5
assign ( resid 27 and name HN and segid "a" )( resid 27 and name HA  and segid "a" ) 3.5 1.7 0.5
assign ( resid 27 and name HN and segid "a" )( resid 27 and name HG2* and segid "a" ) 3.0 0.7 1.5

!Lys-28 Not assigned.

!His-29 Strong HN-HB* and HA-HB*. May be disordered. Bh's degenerate, adds to problem!!
assign ( resid 29 and name HA   and segid "a" )( resid 29 and name HN  and segid "a" ) 3.5 1.7 0.5
assign ( resid 29 and name HN   and segid "a" )( resid 29 and name HB* and segid "a" ) 2.5 0.7 1.5
assign ( resid 29 and name HD2  and segid "a" )( resid 29 and name HB1 and segid "a" ) 3.5 1.7 0.5
assign ( resid 29 and name HD2  and segid "a" )( resid 29 and name HB2 and segid "a" ) 2.5 0.7 0.5

!Lys-30
 
!Leu-31 Looks fixed. May be -60. Setting as if -60.
assign ( resid 31 and name HN   and segid "a" )( resid 31 and name HA  and segid "a" ) 2.5 0.7 0.5  
assign ( resid 31 and name HN   and segid "a" )( resid 31 and name HB2 and segid "a" ) 2.5 0.7 0.5  
assign ( resid 31 and name HN   and segid "a" )( resid 31 and name HB1 and segid "a" ) 3.5 1.7 0.5  

!Glu-32
assign ( resid 32 and name HN   and segid "a" )( resid 32 and name HA  and segid "a" ) 3.0 1.2 0.5

!Gln-33
assign ( resid 33 and name HN   and segid "a" )( resid 33 and name HA  and segid "a" ) 3.0 1.2 0.5
assign ( resid 33 and name HN   and segid "a" )( resid 33 and name HB* and segid "a" ) 3.0 1.2 1.5

!Leu-34
!assign ( resid 34 and name HN and segid "a" )( resid 34 and name HB1 and segid "a" ) 3.5 1.7 1.0
!assign ( resid 34 and name HN and segid "a" )( resid 34 and name HB2 and segid "a" ) 3.5 1.7 1.0
assign ( resid 34 and name HN and segid "a" )( resid 34 and name HA and segid "a" ) 3.0 1.2 0.5



!a.3.2. Intraresidue: intramonomer b

!Asn-10 Chi-1 set to -60 for this residue

assign ( resid 10 and name HN   and segid "b" )( resid 10 and name HA  and segid "b" ) 3.5 1.7 0.5
assign ( resid 10 and name HN   and segid "b" )( resid 10 and name HB1 and segid "b" ) 3.5 0.5 0.5
assign ( resid 10 and name HN   and segid "b" )( resid 10 and name HB2 and segid "b" ) 2.5 0.7 0.5
assign ( resid 10 and name HA   and segid "b" )( resid 10 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 10 and name HA   and segid "b" )( resid 10 and name HB2 and segid "b" ) 2.8 1.0 0.5
assign ( resid 10 and name HD21 and segid "b" )( resid 10 and name HB1 and segid "b" ) 3.0 1.2 0.5
assign ( resid 10 and name HD21 and segid "b" )( resid 10 and name HB2 and segid "b" ) 4.0 2.2 0.5
assign ( resid 10 and name HD22 and segid "b" )( resid 10 and name HB1 and segid "b" ) 5.5 3.7 0.5
assign ( resid 10 and name HD22 and segid "b" )( resid 10 and name HB2 and segid "b" ) 5.5 3.7 0.5

!Asp-11 No Chi-1 set for this residue.
!HN,HA to HB NOEs look of similar intensity, cannot pin a conformation.
assign ( resid 11 and name HN and segid "b" )( resid 11 and name HA and segid "b" ) 3.0 1.2 0.5

!Thr-12 No Chi-1 set for this residue.

assign ( resid 12 and name HN and segid "b" )( resid 12 and name HB  and segid "b" ) 3.5 1.7 0.5
assign ( resid 12 and name HN and segid "b" )( resid 12 and name HG* and segid "b" ) 3.5 1.2 1.0
assign ( resid 12 and name HA and segid "b" )( resid 12 and name HG* and segid "b" ) 3.5 1.2 1.0
!assign ( resid 12 and name HA and segid "b" )( resid 12 and name HB and segid "b" ) 3.0 1.2 0.5

!His-13 Chi-1 set to -60 for this residue.

assign ( resid 13 and name HN  and segid "b" )( resid 13 and name HA and segid "b"  ) 3.5 1.7 0.5
assign ( resid 13 and name HN  and segid "b" )( resid 13 and name HB1 and segid "b" ) 3.5 0.5 0.5
assign ( resid 13 and name HN  and segid "b" )( resid 13 and name HB2 and segid "b" ) 2.5 0.7 0.5
assign ( resid 13 and name HA  and segid "b" )( resid 13 and name HB1 and segid "b" ) 3.0 1.2 0.5
assign ( resid 13 and name HA  and segid "b" )( resid 13 and name HB2 and segid "b" ) 4.0 2.2 0.5
assign ( resid 13 and name HD2 and segid "b" )( resid 13 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 13 and name HD2 and segid "b" )( resid 13 and name HB2 and segid "b" ) 2.5 0.7 0.5
assign ( resid 13 and name HD2 and segid "b" )( resid 13 and name HB* and segid "b" ) 3.0 1.2 1.0

! Gln-14 No Chi-1 set for this residue.
assign ( resid 14 and name HN  and segid "b" )( resid 14 and name HA and segid "b" ) 3.0 1.2 0.5

! Gln-15 No Chi-1 set for this residue. Missing bH assignments
assign ( resid 15 and name HN  and segid "b" )( resid 15 and name HA and segid "b" ) 3.0 1.2 0.5

! Asp-16 Chi-1 set to 180 for this residue. HA-HB NOES poorly resolved? 
assign ( resid 16 and name HN  and segid "b" )( resid 16 and name HA  and segid "b" ) 3.0 1.2 0.5
assign ( resid 16 and name HN  and segid "b" )( resid 16 and name HB1 and segid "b" ) 3.0 1.2 0.5
assign ( resid 16 and name HN  and segid "b" )( resid 16 and name HB2 and segid "b" ) 3.0 1.2 0.5

! Ile-17 Chi-1 set to -60 for this residue. I cannot see an NOE pattern to confirm this.
assign ( resid 17 and name HN  and segid "b" )( resid 17 and name HA and segid "b" ) 3.5 1.7 0.5

! Asp-18 No Chi-1 set for this residue. I am setting to -60
assign ( resid 18 and name HN  and segid "b" )( resid 18 and name HA  and segid "b" ) 3.5 1.7 0.5
assign ( resid 18 and name HN  and segid "b" )( resid 18 and name HB1 and segid "b" ) 3.0 1.2 0.5
assign ( resid 18 and name HN  and segid "b" )( resid 18 and name HB2 and segid "b" ) 4.0 2.2 0.5
assign ( resid 18 and name HA  and segid "b" )( resid 18 and name HB1 and segid "b" ) 3.0 1.2 0.5
assign ( resid 18 and name HA  and segid "b" )( resid 18 and name HB2 and segid "b" ) 3.0 1.2 0.5

! Asp-19 Chi-1 set to 180 for this residue.
assign ( resid 19 and name HN   and segid "b" )( resid 19 and name HA  and segid "b" ) 3.0 1.2 0.5
assign ( resid 19 and name HB2  and segid "b" )( resid 19 and name HN  and segid "b" ) 3.0 1.2 0.5

! Leu-20 Chi-1 set to -60 for this residue.
assign ( resid 20 and name HN and segid "b" )( resid 20 and name HA   and segid "b" ) 3.5 1.7 1.0
assign ( resid 20 and name HN and segid "b" )( resid 20 and name HB1  and segid "b" ) 3.5 1.7 0.5
assign ( resid 20 and name HN and segid "b" )( resid 20 and name HB2  and segid "b" ) 2.5 0.7 0.5
assign ( resid 20 and name HA and segid "b" )( resid 20 and name HB1  and segid "b" ) 3.0 1.2 0.5
assign ( resid 20 and name HN and segid "b" )( resid 20 and name HG   and segid "b" ) 3.0 1.2 0.5
assign ( resid 20 and name HA and segid "b" )( resid 20 and name HD2* and segid "b" ) 3.0 1.2 1.0

! Lys-21 No Chi-1 set for this residue.
assign ( resid 21 and name HN  and segid "b" )( resid 21 and name HA  and segid "b" ) 3.0 1.2 0.5
assign ( resid 21 and name HB* and segid "b" )( resid 21 and name HN  and segid "b" ) 3.0 1.2 1.5
assign ( resid 21 and name HE* and segid "b" )( resid 21 and name HB* and segid "b" ) 3.5 1.7 1.5
assign ( resid 21 and name HE* and segid "b" )( resid 21 and name HD* and segid "b" ) 3.5 1.7 1.5

! Arg-22 No Chi-1 set for this residue. Maybe Chi-1 -60?
assign ( resid 22 and name HN and segid "b" )( resid 22 and name HA  and segid "b" ) 3.0 1.2 0.5
assign ( resid 22 and name HN and segid "b" )( resid 22 and name HB1 and segid "b" ) 3.0 1.2 0.5
assign ( resid 22 and name HN and segid "b" )( resid 22 and name HB2 and segid "b" ) 3.5 1.2 0.5
assign ( resid 22 and name HA and segid "b" )( resid 22 and name HB2 and segid "b" ) 3.0 1.2 0.5

! Gln-23 No Chi-1 set for this residue.
assign ( resid 23 and name HN and segid "b" )( resid 23 and name HA  and segid "b" ) 3.0 1.2 0.5
assign ( resid 23 and name HN and segid "b" )( resid 23 and name HB* and segid "b" ) 3.0 1.2 1.0
assign ( resid 23 and name HN and segid "b" )( resid 23 and name HG* and segid "b" ) 3.5 1.2 1.0

! Asn-24 Chi-1 set to -60 for this residue
assign ( resid 24 and name HN and segid "b" )( resid 24 and name HA  and segid "b" ) 3.0 1.2 0.5
assign ( resid 24 and name HN and segid "b" )( resid 24 and name HB1 and segid "b" ) 3.5 1.7 0.5
assign ( resid 24 and name HN and segid "b" )( resid 24 and name HB2 and segid "b" ) 2.5 0.7 0.5
assign ( resid 24 and name HA and segid "b" )( resid 24 and name HB1 and segid "b" ) 3.0 1.2 0.5 
assign ( resid 24 and name HD22 and segid "b" )( resid 24 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 24 and name HD22 and segid "b" )( resid 24 and name HB1 and segid "b" ) 4.0 2.2 0.5
assign ( resid 24 and name HD21 and segid "b" )( resid 24 and name HB1 and segid "b" ) 3.0 1.2 0.5
assign ( resid 24 and name HD21 and segid "b" )( resid 24 and name HB2 and segid "b" ) 3.0 1.2 0.5
assign ( resid 24 and name HD22 and segid "b" )( resid 24 and name HA  and segid "b" ) 4.0 2.2 0.5
assign ( resid 24 and name HD21 and segid "b" )( resid 24 and name HN  and segid "b" ) 4.0 2.2 0.5

! Ala-25 Chi-1 N/A
assign ( resid 25 and name HN and segid "b" )( resid 25 and name HA  and segid "b" ) 3.0 1.2 0.5
assign ( resid 25 and name HN and segid "b" )( resid 25 and name HB* and segid "b" ) 3.0 0.7 1.0

! Leu-26 No Chi-1 set for this residue. HBs same as xLeu29. Is this correct??
assign ( resid 26 and name HN and segid "b" )( resid 26 and name HA  and segid "b" ) 3.0 1.2 0.5 

! Leu-27
assign ( resid 27 and name HN and segid "b" )( resid 27 and name HB1 and segid "b" ) 3.5 0.5 0.5
assign ( resid 27 and name HN and segid "b" )( resid 27 and name HB2 and segid "b" ) 2.5 0.7 0.5
assign ( resid 27 and name HA and segid "b" )( resid 27 and name HB1 and segid "b" ) 3.0 1.2 0.5
assign ( resid 27 and name HN and segid "b" )( resid 27 and name HG  and segid "b" ) 3.0 1.2 0.5
assign ( resid 27 and name HN and segid "b" )( resid 27 and name HA  and segid "b" ) 3.0 1.2 0.5

! Glu-28 No Chi-1 set for this residue. However it appears fixed. 180 in model. 
assign ( resid 28 and name HN and segid "b" )( resid 28 and name HA  and segid "b" ) 3.0 1.2 0.5
assign ( resid 28 and name HN and segid "b" )( resid 28 and name HB1 and segid "b" ) 3.0 1.2 0.5
assign ( resid 28 and name HN and segid "b" )( resid 28 and name HB2 and segid "b" ) 3.0 1.2 0.5
assign ( resid 28 and name HN and segid "b" )( resid 28 and name HB1 and segid "b" ) 3.5 1.7 0.5
assign ( resid 28 and name HN and segid "b" )( resid 28 and name HB2 and segid "b" ) 3.0 1.2 0.5

! Gln-29 No Chi-1 set for this residue.
assign ( resid 29 and name HN and segid "b" )( resid 29 and name HA   and segid "b" ) 3.0 1.2 0.5
assign ( resid 29 and name HN and segid "b" )( resid 29 and name HB*  and segid "b" ) 3.0 1.2 1.0

! Gln-30 No Chi-1 set for this residue.
assign ( resid 30 and name HN and segid "b" )( resid 30 and name HA  and segid "b" ) 3.0 1.2 0.5

! Val-31 No Chi-1 set for this residue. Maybe fixed to -60. -60 in model.
assign ( resid 31 and name HN and segid "b" )( resid 31 and name HA   and segid "b" ) 3.0 1.2 0.5
assign ( resid 31 and name HN and segid "b" )( resid 31 and name HB   and segid "b" ) 2.5 0.7 0.5
assign ( resid 31 and name HN and segid "b" )( resid 31 and name HG2* and segid "b" ) 3.0 1.2 1.0
assign ( resid 31 and name HN and segid "b" )( resid 31 and name HG1* and segid "b" ) 4.5 1.7 1.0
assign ( resid 31 and name HA and segid "b" )( resid 31 and name HG2* and segid "b" ) 2.8 1.0 1.0
assign ( resid 31 and name HA and segid "b" )( resid 31 and name HG1* and segid "b" ) 2.8 1.0 1.0

! Arg-32 No Chi-1 set for this residue.
assign ( resid 32 and name HN and segid "b" )( resid 32 and name HA   and segid "b" ) 3.0 1.2 0.5

! Ala-33
assign ( resid 33 and name HN and segid "b" )( resid 33 and name HA   and segid "b" ) 2.8 1.0 0.5
assign ( resid 33 and name HN and segid "b" )( resid 33 and name HB*  and segid "b" ) 3.0 1.2 1.0

! Leu-34
!assign ( resid 34 and name HN and segid "b" )( resid 34 and name HB1 and segid "b" ) 3.5 1.7 1.0
!assign ( resid 34 and name HN and segid "b" )( resid 34 and name HB2 and segid "b" ) 3.5 1.7 1.0
assign ( resid 34 and name HN and segid "b" )( resid 34 and name HA and segid "b" ) 3.0 1.2 1.0

clas long

! b. INTERMONOMER NOEs (Dimer contacts)


!asn-10
assign ( resid 10 and name HA and segid "b" )( resid 13 and name HB* and segid "a" ) 4.5 2.7 0.5
assign ( resid 10 and name HA and segid "b" )( resid 13 and name HD1* and segid "a" ) 3.5 1.7 1.5
assign ( resid 10 and name HB1 and segid "b" )( resid 13 and name HD1* and segid "a" ) 3.5 1.7 0.5
assign ( resid 10 and name HB1 and segid "b" )( resid 13 and name HD1* and segid "a" ) 4.5 2.7 0.5
assign ( resid 10 and name HD22 and segid "b" )( resid 10  and name HA  and segid "a" ) 3.5 1.7 1.5
assign ( resid 10 and name HD21 and segid "b" )( resid 6 and name HG* and segid "a" ) 2.8 1.0 2.4
assign ( resid 10 and name HD21 and segid "b" )( resid 13 and name HD1* and segid "a" ) 4.5 2.7 1.0
assign ( resid 10 and name HD22 and segid "b" )( resid 6 and name HG* and segid "a" ) 2.8 1.0 2.4
assign ( resid 10 and name HD21 and segid "b" )( resid 9 and name HB* and segid "a" ) 4.5 2.7 1.0
assign ( resid 10 and name HD22 and segid "b" )( resid 9 and name HG* and segid "a" ) 4.5 2.7 1.0
assign ( resid 10 and name HD21 and segid "b" )( resid 10 and name HD1* and segid "a" ) 4.5 2.7 1.0
assign ( resid 10 and name HD22 and segid "b" )( resid 10 and name HG* and segid "a" ) 4.5 2.7 1.0

!cLeu-13

assign ( resid 13 and name HD2* and segid "a" )( resid 14 and name HN and segid "b" ) 3.5 1.7 1.0

!His-13

assign ( resid 13 and name HE1 and segid "b" )( resid 14 and name HG2* and segid "a" ) 3.5 1.7 1.0
assign ( resid 13 and name HE1 and segid "b" )( resid 14 and name HD1* and segid "a" ) 3.5 1.7 1.0
assign ( resid 13 and name HE1 and segid "b" )( resid 14 and name HA and segid "a" ) 4.0 2.2 0.5
assign ( resid 13 and name HE1 and segid "b" )( resid 14 and name HG1* and segid "a" ) 3.5 1.7 0.5
assign ( resid 13 and name HB1 and segid "b" )( resid 13 and name HB1 and segid "a" ) 4.0 2.2 0.5
assign ( resid 13 and name HB1 and segid "b" )( resid 13 and name HB2 and segid "a" ) 4.0 2.2 0.5
assign ( resid 13 and name HB2 and segid "b" )( resid 13 and name HB1 and segid "a" ) 4.0 2.2 0.5
assign ( resid 13 and name HB2 and segid "b" )( resid 13 and name HB2 and segid "a" ) 4.0 2.2 0.5
assign ( resid 13 and name HB1 and segid "b" )( resid 13 and name HD1* and segid "a" ) 3.5 1.7 1.0
assign ( resid 13 and name HB1 and segid "b" )( resid 13 and name HD2* and segid "a" ) 4.5 2.7 1.0
assign ( resid 13 and name HB2 and segid "b" )( resid 13 and name HD1* and segid "a" ) 3.5 1.7 1.0
assign ( resid 13 and name HD2 and segid "b" )( resid 13 and name HD1* and segid "a" ) 3.5 1.7 1.0
assign ( resid 13 and name HD2 and segid "b" )( resid 13 and name HB1 and segid "a" ) 4.0 2.2 0.5
assign ( resid 13 and name HD2 and segid "b" )( resid 13 and name HB2 and segid "a" ) 3.5 1.7 0.5
assign ( resid 13 and name HD2 and segid "b" )( resid 10 and name HG1 and segid "a" ) 3.5 1.7 1.0
assign ( resid 13 and name HD2 and segid "b" )( resid 10 and name HG2 and segid "a" ) 3.5 1.7 1.0
assign ( resid 13 and name HD2 and segid "b" )( resid 10 and name HB* and segid "a" ) 4.3 1.2 0.5
assign ( resid 13 and name HD2 and segid "b" )( resid 10 and name HA and segid "a" ) 4.0 2.2 0.5


!xGln-14

assign ( resid 14 and name HN and segid "b" )( resid 13 and name HD2* and segid "a" ) 3.5 1.2 0.8
assign ( resid 14 and name HN and segid "b" )( resid 13 and name HD1* and segid "a" ) 3.5 1.2 0.8


!xIle-17
assign ( resid 17 and name HA and segid "b" )( resid 20 and name HD1* and segid "a" ) 3.5 1.7 1.0
assign ( resid 17 and name HA and segid "b" )( resid 17 and name HA   and segid "a" ) 4.5 2.7 0.5

!cArg-21

assign ( resid 21 and name HD* and segid "a" )( resid 20 and name HD1*  and segid "b" ) 4.5 2.7 1.0
assign ( resid 21 and name HN and segid "a" )( resid 20 and name HD2*  and segid "b" ) 4.5 2.7 1.0

!xLys-21

assign ( resid 21 and name HN and segid "b" )( resid 20 and name HD2* and segid "a" ) 4.0 2.2 1.0
assign ( resid 21 and name HN and segid "b" )( resid 20 and name HD1* and segid "a" ) 4.0 2.2 1.0
assign ( resid 21 and name HA and segid "b" )( resid 20 and name HD2* and segid "a" ) 4.0 2.2 1.0
assign ( resid 21 and name HE* and segid "b" )( resid 20 and name HD2* and segid "a" ) 4.5 2.7 1.0
assign ( resid 21 and name HE* and segid "b" )( resid 20 and name HD1* and segid "a" ) 4.5 2.7 1.0

!xasn-24

assign ( resid 24 and name HA   and segid "b" )( resid 27 and name HD1* and segid "a" ) 3.5 1.7 1.0
assign ( resid 24 and name HB1  and segid "b" )( resid 27 and name HD1* and segid "a" ) 3.5 1.7 1.0
assign ( resid 24 and name HD22 and segid "b" )( resid 24 and name HA and segid "a" ) 4.0 2.2 0.5
assign ( resid 24 and name HD22 and segid "b" )( resid 20 and name HA and segid "a" ) 4.0 2.2 0.5
assign ( resid 24 and name HD22 and segid "b" )( resid 24 and name HB1 and segid "a" ) 4.0 2.2 0.5
assign ( resid 24 and name HD22 and segid "b" )( resid 24 and name HB2 and segid "a" ) 4.0 2.2 0.5
assign ( resid 24 and name HD22 and segid "b" )( resid 23 and name HB* and segid "a" ) 3.5 1.7 0.5
assign ( resid 24 and name HD21 and segid "b" )( resid 23 and name HB* and segid "a" ) 3.5 1.7 0.5
assign ( resid 24 and name HD21 and segid "b" )( resid 24 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 24 and name HD22 and segid "b" )( resid 24 and name HN and segid "a" ) 3.5 1.7 0.5
assign ( resid 24 and name HD22 and segid "b" )( resid 20 and name HD2* and segid "a" ) 3.5 1.7 1.0
assign ( resid 24 and name HD21 and segid "b" )( resid 20 and name HD2* and segid "a" ) 2.8 1.0 1.0
assign ( resid 24 and name HD21 and segid "b" )( resid 24 and name HA and segid "a" ) 4.0 2.2 0.5
assign ( resid 24 and name HD21 and segid "b" )( resid 20 and name HA and segid "a" ) 4.0 2.2 0.5
assign ( resid 24 and name HD22 and segid "b" )( resid 20 and name HB1 and segid "a" ) 3.5 1.7 0.5
assign ( resid 24 and name HD21 and segid "b" )( resid 20 and name HB1 and segid "a" ) 3.5 1.7 0.5
assign ( resid 24 and name HA   and segid "b" )( resid 24 and name HA   and segid "a" ) 4.5 2.7 0.5
assign ( resid 24 and name HB2  and segid "b" )( resid 27 and name HD1* and segid "a" ) 3.5 1.7 1.0
assign ( resid 24 and name HD21 and segid "b" )( resid 23 and name HG* and segid "a" ) 4.0 2.2 1.0


!cArg-23



!cArg-24

assign ( resid 24 and name HD* and segid "a" )( resid 20 and name HD2*   and segid "b" ) 4.0 1.2 0.5
assign ( resid 24 and name HD* and segid "a" )( resid 20 and name HA   and segid "b" ) 4.2 1.2 0.5
assign ( resid 24 and name HE and segid "a" )( resid 20 and name HA   and segid "b" ) 4.5 1.2 0.5

!xLeu-27

!assign ( resid 27 and name HD1* and segid "b" )( resid 28 and name HN and segid "a" ) 3.5 1.2 0.5

!xGlu-28

assign ( resid 28 and name HN and segid "b" )( resid 27 and name HD2* and segid "a" ) 4.5 1.2 0.8
assign ( resid 28 and name HN and segid "b" )( resid 27 and name HD1* and segid "a" ) 4.5 1.2 0.8
assign ( resid 28 and name HA and segid "b" )( resid 27 and name HD2* and segid "a" ) 3.5 1.2 0.8
assign ( resid 28 and name HA and segid "b" )( resid 27 and name HD1* and segid "a" ) 4.5 1.2 0.8

!xVal-31

assign ( resid 31 and name HG2* and segid "b" )( resid 31 and name HN and segid "a" ) 4.5 2.2 0.8

clas hbonds

! Hbonds: intramonomer A


assign ( resid  5 and name O and segid "a" )( resid  9 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid  6 and name O and segid "a" )( resid 10 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid  7 and name O and segid "a" )( resid 11 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid  8 and name O and segid "a" )( resid 12 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid  9 and name O and segid "a" )( resid 13 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 10 and name O and segid "a" )( resid 14 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 11 and name O and segid "a" )( resid 15 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 12 and name O and segid "a" )( resid 16 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 13 and name O and segid "a" )( resid 17 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 14 and name O and segid "a" )( resid 18 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 15 and name O and segid "a" )( resid 19 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 16 and name O and segid "a" )( resid 20 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 17 and name O and segid "a" )( resid 21 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 18 and name O and segid "a" )( resid 22 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 19 and name O and segid "a" )( resid 23 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 20 and name O and segid "a" )( resid 24 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 21 and name O and segid "a" )( resid 25 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 22 and name O and segid "a" )( resid 26 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 23 and name O and segid "a" )( resid 27 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 24 and name O and segid "a" )( resid 28 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 25 and name O and segid "a" )( resid 29 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 26 and name O and segid "a" )( resid 30 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 27 and name O and segid "a" )( resid 31 and name N and segid "a" ) 2.8 0.4 0.5
assign ( resid 28 and name O and segid "a" )( resid 32 and name N and segid "a" ) 2.8 0.4 0.5

! Hbonds intramonomers B

assign ( resid  5 and name O and segid "b" )( resid  9 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid  6 and name O and segid "b" )( resid 10 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid  7 and name O and segid "b" )( resid 11 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid  8 and name O and segid "b" )( resid 12 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid  9 and name O and segid "b" )( resid 13 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 10 and name O and segid "b" )( resid 14 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 11 and name O and segid "b" )( resid 15 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 12 and name O and segid "b" )( resid 16 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 13 and name O and segid "b" )( resid 17 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 14 and name O and segid "b" )( resid 18 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 15 and name O and segid "b" )( resid 19 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 16 and name O and segid "b" )( resid 20 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 17 and name O and segid "b" )( resid 21 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 18 and name O and segid "b" )( resid 22 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 19 and name O and segid "b" )( resid 23 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 20 and name O and segid "b" )( resid 24 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 21 and name O and segid "b" )( resid 25 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 22 and name O and segid "b" )( resid 26 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 23 and name O and segid "b" )( resid 27 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 24 and name O and segid "b" )( resid 28 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 25 and name O and segid "b" )( resid 29 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 26 and name O and segid "b" )( resid 30 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 27 and name O and segid "b" )( resid 31 and name N and segid "b" ) 2.8 0.4 0.5
assign ( resid 28 and name O and segid "b" )( resid 32 and name N and segid "b" ) 2.8 0.4 0.5


set message=on echo=on end 



set message=on echo=off end 
restraints dihedral reset



! phi restraints c-Myc   


assign ( resid 6 and name c  and segid "a" )( resid 7 and name n  and segid "a" ) 
       ( resid 7 and name ca and segid "a" )( resid 7 and name c  and segid "a" ) 1.0 -60 40 2

assign ( resid 7 and name C  and segid "a" )( resid 8 and name N  and segid "a" ) 
           ( resid 8 and name CA and segid "a" )( resid 8 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 8 and name C  and segid "a" )( resid 9 and name N  and segid "a" ) 
           ( resid 9 and name CA and segid "a" )( resid 9 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 9 and name C  and segid "a" )( resid 10 and name N  and segid "a" ) 
           ( resid 10 and name CA and segid "a" )( resid 10 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 10 and name C  and segid "a" )( resid 11 and name N  and segid "a" ) 
           ( resid 11 and name CA and segid "a" )( resid 11 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 11 and name C  and segid "a" )( resid 12 and name N  and segid "a" )
           ( resid 12 and name CA and segid "a" )( resid 12 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 12 and name C  and segid "a" )( resid 13 and name N  and segid "a" )
           ( resid 13 and name CA and segid "a" )( resid 13 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 13 and name C  and segid "a" )( resid 14 and name N  and segid "a" )
           ( resid 14 and name CA and segid "a" )( resid 14 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 14 and name C  and segid "a" )( resid 15 and name N  and segid "a" )
           ( resid 15 and name CA and segid "a" )( resid 15 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 15 and name C  and segid "a" )( resid 16 and name N  and segid "a" )
           ( resid 16 and name CA and segid "a" )( resid 16 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 16 and name C  and segid "a" )( resid 17 and name N  and segid "a" )
           ( resid 17 and name CA and segid "a" )( resid 17 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 17 and name C  and segid "a" )( resid 18 and name N  and segid "a" )
           ( resid 18 and name CA and segid "a" )( resid 18 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 18 and name C  and segid "a" )( resid 19 and name N  and segid "a" )
           ( resid 19 and name CA and segid "a" )( resid 19 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 19 and name C  and segid "a" )( resid 20 and name N  and segid "a" )
           ( resid 20 and name CA and segid "a" )( resid 20 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 20 and name C  and segid "a" )( resid 21 and name N  and segid "a" )
           ( resid 21 and name CA and segid "a" )( resid 21 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 21 and name C  and segid "a" )( resid 22 and name N  and segid "a" )
           ( resid 22 and name CA and segid "a" )( resid 22 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 22 and name C  and segid "a" )( resid 23 and name N  and segid "a" )
           ( resid 23 and name CA and segid "a" )( resid 23 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 23 and name C  and segid "a" )( resid 24 and name N  and segid "a" )
           ( resid 24 and name CA and segid "a" )( resid 24 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 24 and name C  and segid "a" )( resid 25 and name N  and segid "a" )
           ( resid 25 and name CA and segid "a" )( resid 25 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 25 and name C  and segid "a" )( resid 26 and name N  and segid "a" )
           ( resid 26 and name CA and segid "a" )( resid 26 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 26 and name C  and segid "a" )( resid 27 and name N  and segid "a" )
           ( resid 27 and name CA and segid "a" )( resid 27 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 27 and name C  and segid "a" )( resid 28 and name N  and segid "a" )
           ( resid 28 and name CA and segid "a" )( resid 28 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 28 and name C  and segid "a" )( resid 29 and name N  and segid "a" )
           ( resid 29 and name CA and segid "a" )( resid 29 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 29 and name C  and segid "a" )( resid 30 and name N  and segid "a" )
           ( resid 30 and name CA and segid "a" )( resid 30 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 30 and name C  and segid "a" )( resid 31 and name N  and segid "a" )
           ( resid 31 and name CA and segid "a" )( resid 31 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 31 and name C  and segid "a" )( resid 32 and name N  and segid "a" )
           ( resid 32 and name CA and segid "a" )( resid 32 and name C  and segid "a" ) 1.0 -60 40 2

assign ( resid 32 and name C  and segid "a" )( resid 33 and name N  and segid "a" )
           ( resid 33 and name CA and segid "a" )( resid 33 and name C  and segid "a" ) 1.0 -60 40 2


! phi restraints Max


assign ( resid 6 and name C  and segid "b" )( resid 7 and name N  and segid "b" )
           ( resid 7 and name CA and segid "b" )( resid 7 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 7 and name C  and segid "b" )( resid 8 and name N  and segid "b" )
           ( resid 8 and name CA and segid "b" )( resid 8 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 8 and name C  and segid "b" )( resid 9 and name N  and segid "b" )
       ( resid 9 and name CA and segid "b" )( resid 9 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 9 and name C  and segid "b" )( resid 10 and name N  and segid "b" )
       ( resid 10 and name CA and segid "b" )( resid 10 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 10 and name C  and segid "b" )( resid 11 and name N  and segid "b" )
           ( resid 11 and name CA and segid "b" )( resid 11 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 11 and name C  and segid "b" )( resid 12 and name N  and segid "b" )
       ( resid 12 and name CA and segid "b" )( resid 12 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 12 and name C  and segid "b" )( resid 13 and name N  and segid "b" )
       ( resid 13 and name CA and segid "b" )( resid 13 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 13 and name C  and segid "b" )( resid 14 and name N  and segid "b" )
       ( resid 14 and name CA and segid "b" )( resid 14 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 14 and name C  and segid "b" )( resid 15 and name N  and segid "b" )
       ( resid 15 and name CA and segid "b" )( resid 15 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 15 and name C  and segid "b" )( resid 16 and name N  and segid "b" )
           ( resid 16 and name CA and segid "b" )( resid 16 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 16 and name C  and segid "b" )( resid 17 and name N  and segid "b" )
           ( resid 17 and name CA and segid "b" )( resid 17 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 17 and name C  and segid "b" )( resid 18 and name N  and segid "b" )
       ( resid 18 and name CA and segid "b" )( resid 18 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 18 and name C  and segid "b" )( resid 19 and name N  and segid "b" )
       ( resid 19 and name CA and segid "b" )( resid 19 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 19 and name C  and segid "b" )( resid 20 and name N  and segid "b" )
       ( resid 20 and name CA and segid "b" )( resid 20 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 20 and name C  and segid "b" )( resid 21 and name N  and segid "b" )
           ( resid 21 and name CA and segid "b" )( resid 21 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 22 and name C  and segid "b" )( resid 23 and name N  and segid "b" )
           ( resid 23 and name CA and segid "b" )( resid 23 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 23 and name C  and segid "b" )( resid 24 and name N  and segid "b" )
           ( resid 24 and name CA and segid "b" )( resid 24 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 24 and name C  and segid "b" )( resid 25 and name N  and segid "b" )
           ( resid 25 and name CA and segid "b" )( resid 25 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 25 and name C  and segid "b" )( resid 26 and name N  and segid "b" )
           ( resid 26 and name CA and segid "b" )( resid 26 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 26 and name C  and segid "b" )( resid 27 and name N  and segid "b" )
           ( resid 27 and name CA and segid "b" )( resid 27 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 27 and name C  and segid "b" )( resid 28 and name N  and segid "b" )
           ( resid 28 and name CA and segid "b" )( resid 28 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 28 and name C  and segid "b" )( resid 29 and name N  and segid "b" )
           ( resid 29 and name CA and segid "b" )( resid 29 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 29 and name C  and segid "b" )( resid 30 and name N  and segid "b" )
       ( resid 30 and name CA and segid "b" )( resid 30 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 30 and name C  and segid "b" )( resid 31 and name N  and segid "b" )
           ( resid 31 and name CA and segid "b" )( resid 31 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 31 and name C  and segid "b" )( resid 32 and name N  and segid "b" )
           ( resid 32 and name CA and segid "b" )( resid 32 and name C  and segid "b" ) 1.0 -60 40 2

assign ( resid 32 and name C  and segid "b" )( resid 33 and name N  and segid "b" )
       ( resid 33 and name CA and segid "b" )( resid 33 and name C  and segid "b" ) 1.0 -60 40 2

!chi 1 c-Myc

assign ( resid 13 and name N  and segid "a" )( resid 13 and name CA and segid "a" )
           ( resid 13 and name CB and segid "a" )( resid 13 and name CG and segid "a" ) 1.0 -60 40 2 
           
assign ( resid 14 and name N  and segid "a" )( resid 14 and name CA and segid "a" )
           ( resid 14 and name CB and segid "a" )( resid 14 and name CG1 and segid "a" ) 1.0 -60 40 2

assign ( resid 20 and name N  and segid "a" )( resid 20 and name CA and segid "a" )
           ( resid 20 and name CB and segid "a" )( resid 20 and name CG and segid "a" ) 1.0 -60 40 2

assign ( resid 27 and name N  and segid "a" )( resid 27 and name CA and segid "a" )
           ( resid 27 and name CB and segid "a" )( resid 27 and name CG and segid "a" ) 1.0 -60 40 2

assign ( resid 34 and name N  and segid "a" )( resid 34 and name CA and segid "a" )
           ( resid 34 and name CB and segid "a" )( resid 34 and name CG and segid "a" ) 1.0 -60 40 2

!chi 1 Max

assign ( resid 10 and name N  and segid "b" )( resid 10 and name CA and segid "b" )
           ( resid 10 and name CB and segid "b" )( resid 10 and name CG and segid "b" ) 1.0 -60 40 2

assign ( resid 13 and name N  and segid "b" )( resid 13 and name CA and segid "b" )
           ( resid 13 and name CB and segid "b" )( resid 13 and name CG and segid "b" ) 1.0 -60 40 2

assign ( resid 16 and name N  and segid "b" )( resid 16 and name CA and segid "b" )
           ( resid 16 and name CB and segid "b" )( resid 16 and name CG and segid "b" ) 1.0 180 40 2

assign ( resid 17 and name N  and segid "b" )( resid 17 and name CA and segid "b" )
           ( resid 17 and name CB and segid "b" )( resid 17 and name CG1 and segid "b" ) 1.0 -60 40 2

assign ( resid 18 and name N  and segid "b" )( resid 18 and name CA and segid "b" )
           ( resid 18 and name CB and segid "b" )( resid 18 and name CG and segid "b" ) 1.0 -60 40 2

assign ( resid 19 and name N  and segid "b" )( resid 19 and name CA and segid "b" )
           ( resid 19 and name CB and segid "b" )( resid 19 and name CG and segid "b" ) 1.0 180 40 2

assign ( resid 20 and name N  and segid "b" )( resid 20 and name CA and segid "b" )
           ( resid 20 and name CB and segid "b" )( resid 20 and name CG and segid "b" ) 1.0 -60 40 2
                          
assign ( resid 24 and name N  and segid "b" )( resid 24 and name CA and segid "b" )
           ( resid 24 and name CB and segid "b" )( resid 24 and name CG and segid "b" ) 1.0 -60 40 2

assign ( resid 27 and name N  and segid "b" )( resid 27 and name CA and segid "b" )
           ( resid 27 and name CB and segid "b" )( resid 27 and name CG and segid "b" ) 1.0 -60 40 2
                                           
assign ( resid 34 and name N  and segid "b" )( resid 34 and name CA and segid "b" )
       ( resid 34 and name CB and segid "b" )( resid 34 and name CG and segid "b" ) 1.0 -60 40 2
end
set message=on echo=on end


  Entry H atom name         Submitted Coord H atom name
    1   1H    ACE   2           HA1      ACE   2  37.585  -0.264  -4.817
    2   2H    ACE   2           HA2      ACE   2  36.379  -0.275  -6.104
    3   3H    ACE   2           HA3      ACE   2  35.918   0.192  -4.466
    1    H    CYS   3           HN       CYS   3  38.846   1.478  -4.695
    2    HA   CYS   3           HA       CYS   3  37.863   4.144  -5.165
    3   1HB   CYS   3           HB2      CYS   3  40.707   3.175  -4.784
    4   2HB   CYS   3           HB1      CYS   3  40.160   4.850  -4.700
    5    H    GLY   4           HN       GLY   4  37.712   5.124  -7.060
    6   1HA   GLY   4           HA2      GLY   4  39.226   4.036  -9.352
    7   2HA   GLY   4           HA1      GLY   4  37.731   4.960  -9.469
    8    H    GLY   5           HN       GLY   5  38.212   7.111  -7.872
    9   1HA   GLY   5           HA2      GLY   5  40.700   8.340  -8.877
   10   2HA   GLY   5           HA1      GLY   5  39.158   9.141  -9.168
   11    H    VAL   6           HN       VAL   6  39.946   7.341  -6.257
   12    HA   VAL   6           HA       VAL   6  39.196   9.529  -4.567
   13    HB   VAL   6           HB       VAL   6  40.674   7.009  -3.774
   14   1HG1  VAL   6          HG12      VAL   6  39.046   9.094  -2.316
   15   2HG1  VAL   6          HG11      VAL   6  39.298   7.483  -1.644
   16   3HG1  VAL   6          HG13      VAL   6  40.679   8.535  -1.958
   17   1HG2  VAL   6          HG21      VAL   6  37.699   7.544  -4.063
   18   2HG2  VAL   6          HG23      VAL   6  38.654   6.411  -5.021
   19   3HG2  VAL   6          HG22      VAL   6  38.392   6.111  -3.302
   20    H    GLN   7           HN       GLN   7  42.275   7.993  -5.431
   21    HA   GLN   7           HA       GLN   7  43.926   9.553  -3.747
   22   1HB   GLN   7           HB2      GLN   7  44.451   8.032  -6.297
   23   2HB   GLN   7           HB1      GLN   7  45.723   8.936  -5.475
   24   1HG   GLN   7           HG2      GLN   7  44.984   7.651  -3.350
   25   2HG   GLN   7           HG1      GLN   7  44.158   6.564  -4.466
   26   1HE2  GLN   7          HE22      GLN   7  47.234   4.809  -4.616
   27   2HE2  GLN   7          HE21      GLN   7  45.622   4.775  -4.085
   28    H    ALA   8           HN       ALA   8  42.910   9.962  -7.122
   29    HA   ALA   8           HA       ALA   8  44.432  12.273  -7.679
   30   1HB   ALA   8           HB1      ALA   8  41.933  11.090  -8.851
   31   2HB   ALA   8           HB3      ALA   8  42.489  12.680  -9.374
   32   3HB   ALA   8           HB2      ALA   8  43.528  11.270  -9.583
   33    H    GLU   9           HN       GLU   9  41.098  11.878  -6.512
   34    HA   GLU   9           HA       GLU   9  40.520  14.659  -6.355
   35   1HB   GLU   9           HB2      GLU   9  39.270  12.159  -5.313
   36   2HB   GLU   9           HB1      GLU   9  38.800  13.689  -4.571
   37   1HG   GLU   9           HG2      GLU   9  38.379  14.577  -6.907
   38   2HG   GLU   9           HG1      GLU   9  38.602  12.929  -7.495
   39    H    GLU  10           HN       GLU  10  41.776  12.293  -4.050
   40    HA   GLU  10           HA       GLU  10  41.758  14.029  -1.788
   41   1HB   GLU  10           HB2      GLU  10  41.994  11.442  -1.867
   42   2HB   GLU  10           HB1      GLU  10  43.710  11.766  -2.116
   43   1HG   GLU  10           HG2      GLU  10  43.582  13.280  -0.063
   44   2HG   GLU  10           HG1      GLU  10  41.995  12.574   0.240
   45    H    GLN  11           HN       GLN  11  44.202  13.172  -4.203
   46    HA   GLN  11           HA       GLN  11  46.367  14.578  -3.061
   47   1HB   GLN  11           HB2      GLN  11  46.315  12.897  -5.061
   48   2HB   GLN  11           HB1      GLN  11  46.028  14.340  -6.035
   49   1HG   GLN  11           HG2      GLN  11  48.090  15.314  -5.410
   50   2HG   GLN  11           HG1      GLN  11  48.283  14.229  -4.033
   51   1HE2  GLN  11          HE22      GLN  11  49.995  13.174  -7.436
   52   2HE2  GLN  11          HE21      GLN  11  49.572  14.760  -7.005
   53    H    LYS  12           HN       LYS  12  43.709  15.580  -5.122
   54    HA   LYS  12           HA       LYS  12  44.792  18.193  -5.677
   55   1HB   LYS  12           HB2      LYS  12  43.079  16.921  -7.098
   56   2HB   LYS  12           HB1      LYS  12  41.887  17.408  -5.891
   57   1HG   LYS  12           HG2      LYS  12  42.473  19.774  -6.256
   58   2HG   LYS  12           HG1      LYS  12  43.673  19.295  -7.457
   59   1HD   LYS  12           HD2      LYS  12  40.734  18.593  -7.667
   60   2HD   LYS  12           HD1      LYS  12  41.451  20.014  -8.428
   61   1HE   LYS  12           HE2      LYS  12  43.180  18.224  -9.355
   62   2HE   LYS  12           HE1      LYS  12  41.835  17.117  -9.078
   63   1HZ   LYS  12           HZ3      LYS  12  40.464  18.857 -10.319
   64   2HZ   LYS  12           HZ2      LYS  12  41.954  19.469 -10.858
   65   3HZ   LYS  12           HZ1      LYS  12  41.503  17.874 -11.230
   66    H    LEU  13           HN       LEU  13  42.471  16.815  -3.400
   67    HA   LEU  13           HA       LEU  13  41.508  19.229  -2.302
   68   1HB   LEU  13           HB2      LEU  13  41.669  16.399  -1.319
   69   2HB   LEU  13           HB1      LEU  13  41.182  17.682  -0.210
   70    HG   LEU  13           HG       LEU  13  39.900  17.370  -2.926
   71   1HD1  LEU  13          HD13      LEU  13  39.696  15.251  -1.565
   72   2HD1  LEU  13          HD12      LEU  13  38.882  16.201  -0.321
   73   3HD1  LEU  13          HD11      LEU  13  38.156  16.034  -1.920
   74   1HD2  LEU  13          HD21      LEU  13  39.467  18.958  -0.443
   75   2HD2  LEU  13          HD23      LEU  13  39.182  19.403  -2.125
   76   3HD2  LEU  13          HD22      LEU  13  38.023  18.382  -1.274
   77    H    ILE  14           HN       ILE  14  44.283  17.195  -1.481
   78    HA   ILE  14           HA       ILE  14  45.068  18.618   0.848
   79    HB   ILE  14           HB       ILE  14  46.817  17.027  -1.048
   80   1HG1  ILE  14          HG12      ILE  14  45.745  15.903   1.500
   81   2HG1  ILE  14          HG11      ILE  14  44.628  16.024   0.141
   82   1HG2  ILE  14          HG22      ILE  14  47.621  18.620   1.018
   83   2HG2  ILE  14          HG21      ILE  14  47.342  17.101   1.868
   84   3HG2  ILE  14          HG23      ILE  14  48.474  17.161   0.517
   85   1HD1  ILE  14          HD12      ILE  14  46.761  14.987  -1.143
   86   2HD1  ILE  14          HD11      ILE  14  47.039  14.314   0.463
   87   3HD1  ILE  14          HD13      ILE  14  45.528  13.981  -0.383
   88    H    SER  15           HN       SER  15  46.350  18.698  -2.481
   89    HA   SER  15           HA       SER  15  48.164  20.801  -2.097
   90   1HB   SER  15           HB2      SER  15  46.709  20.428  -4.699
   91   2HB   SER  15           HB1      SER  15  48.390  20.877  -4.425
   92    HG   SER  15           HG       SER  15  47.475  18.494  -4.895
   93    H    GLU  16           HN       GLU  16  44.735  20.819  -2.930
   94    HA   GLU  16           HA       GLU  16  44.567  23.619  -3.468
   95   1HB   GLU  16           HB2      GLU  16  42.890  21.727  -4.083
   96   2HB   GLU  16           HB1      GLU  16  42.250  21.991  -2.461
   97   1HG   GLU  16           HG2      GLU  16  41.749  24.287  -2.936
   98   2HG   GLU  16           HG1      GLU  16  42.657  24.237  -4.448
   99    H    GLU  17           HN       GLU  17  44.039  21.613  -0.605
  100    HA   GLU  17           HA       GLU  17  43.079  23.707   1.070
  101   1HB   GLU  17           HB2      GLU  17  42.799  21.246   1.522
  102   2HB   GLU  17           HB1      GLU  17  44.511  21.191   1.947
  103   1HG   GLU  17           HG2      GLU  17  43.821  23.251   3.492
  104   2HG   GLU  17           HG1      GLU  17  42.238  22.480   3.398
  105    H    ASP  18           HN       ASP  18  46.277  22.270   0.541
  106    HA   ASP  18           HA       ASP  18  47.675  23.762   2.490
  107   1HB   ASP  18           HB2      ASP  18  48.445  21.722   1.038
  108   2HB   ASP  18           HB1      ASP  18  48.964  22.964  -0.101
  109    H    LEU  19           HN       LEU  19  46.709  24.471  -0.807
  110    HA   LEU  19           HA       LEU  19  48.332  26.740  -1.250
  111   1HB   LEU  19           HB2      LEU  19  46.651  25.375  -2.826
  112   2HB   LEU  19           HB1      LEU  19  45.580  26.706  -2.384
  113    HG   LEU  19           HG       LEU  19  48.399  27.203  -3.342
  114   1HD1  LEU  19          HD11      LEU  19  47.192  25.879  -5.062
  115   2HD1  LEU  19          HD13      LEU  19  45.884  27.062  -5.032
  116   3HD1  LEU  19          HD12      LEU  19  47.487  27.534  -5.595
  117   1HD2  LEU  19          HD22      LEU  19  45.858  28.816  -3.059
  118   2HD2  LEU  19          HD21      LEU  19  47.432  29.126  -2.327
  119   3HD2  LEU  19          HD23      LEU  19  47.201  29.368  -4.059
  120    H    LEU  20           HN       LEU  20  45.065  26.387   0.090
  121    HA   LEU  20           HA       LEU  20  44.611  29.167   0.493
  122   1HB   LEU  20           HB2      LEU  20  43.333  26.637   1.424
  123   2HB   LEU  20           HB1      LEU  20  42.980  28.116   2.319
  124    HG   LEU  20           HG       LEU  20  42.841  28.169  -0.676
  125   1HD1  LEU  20          HD13      LEU  20  41.555  26.149   0.167
  126   2HD1  LEU  20          HD12      LEU  20  40.546  27.268   1.084
  127   3HD1  LEU  20          HD11      LEU  20  40.578  27.351  -0.677
  128   1HD2  LEU  20          HD22      LEU  20  42.551  30.118   1.103
  129   2HD2  LEU  20          HD21      LEU  20  41.510  30.043  -0.318
  130   3HD2  LEU  20          HD23      LEU  20  40.922  29.455   1.237
  131    H    ARG  21           HN       ARG  21  46.124  26.635   2.388
  132    HA   ARG  21           HA       ARG  21  46.218  27.978   4.877
  133   1HB   ARG  21           HB2      ARG  21  47.807  25.750   3.639
  134   2HB   ARG  21           HB1      ARG  21  48.315  26.451   5.176
  135   1HG   ARG  21           HG2      ARG  21  46.296  25.838   6.253
  136   2HG   ARG  21           HG1      ARG  21  45.473  25.541   4.722
  137   1HD   ARG  21           HD2      ARG  21  46.147  23.439   5.904
  138   2HD   ARG  21           HD1      ARG  21  46.844  23.591   4.296
  139    HE   ARG  21           HE       ARG  21  48.735  24.675   5.977
  140   1HH1  ARG  21          HH11      ARG  21  47.070  21.604   5.759
  141   2HH1  ARG  21          HH12      ARG  21  48.388  20.713   6.439
  142   1HH2  ARG  21          HH21      ARG  21  50.429  23.476   6.859
  143   2HH2  ARG  21          HH22      ARG  21  50.275  21.762   7.057
  144    H    LYS  22           HN       LYS  22  48.386  27.936   2.087
  145    HA   LYS  22           HA       LYS  22  50.500  29.422   3.251
  146   1HB   LYS  22           HB2      LYS  22  50.283  28.110   0.933
  147   2HB   LYS  22           HB1      LYS  22  49.925  29.734   0.344
  148   1HG   LYS  22           HG2      LYS  22  52.017  30.577   1.036
  149   2HG   LYS  22           HG1      LYS  22  52.302  29.221   2.128
  150   1HD   LYS  22           HD2      LYS  22  52.088  27.857  -0.180
  151   2HD   LYS  22           HD1      LYS  22  52.677  29.391  -0.822
  152   1HE   LYS  22           HE2      LYS  22  54.027  28.172   1.569
  153   2HE   LYS  22           HE1      LYS  22  54.405  27.571  -0.045
  154   1HZ   LYS  22           HZ3      LYS  22  54.904  29.862  -0.709
  155   2HZ   LYS  22           HZ2      LYS  22  54.622  30.383   0.883
  156   3HZ   LYS  22           HZ1      LYS  22  55.912  29.331   0.547
  157    H    ARG  23           HN       ARG  23  47.535  30.340   1.592
  158    HA   ARG  23           HA       ARG  23  48.170  33.132   1.411
  159   1HB   ARG  23           HB2      ARG  23  46.417  31.765   0.055
  160   2HB   ARG  23           HB1      ARG  23  45.362  32.063   1.436
  161   1HG   ARG  23           HG2      ARG  23  46.015  34.537   1.193
  162   2HG   ARG  23           HG1      ARG  23  46.664  34.090  -0.385
  163   1HD   ARG  23           HD2      ARG  23  44.452  33.156  -1.008
  164   2HD   ARG  23           HD1      ARG  23  43.812  33.670   0.549
  165    HE   ARG  23           HE       ARG  23  43.641  35.812  -0.307
  166   1HH1  ARG  23          HH11      ARG  23  45.906  33.980  -2.248
  167   2HH1  ARG  23          HH12      ARG  23  46.091  35.237  -3.421
  168   1HH2  ARG  23          HH21      ARG  23  43.913  37.425  -1.860
  169   2HH2  ARG  23          HH22      ARG  23  44.973  37.171  -3.205
  170    H    ARG  24           HN       ARG  24  46.522  31.068   3.728
  171    HA   ARG  24           HA       ARG  24  45.322  33.076   5.308
  172   1HB   ARG  24           HB2      ARG  24  44.986  30.518   5.410
  173   2HB   ARG  24           HB1      ARG  24  46.413  30.510   6.448
  174   1HG   ARG  24           HG2      ARG  24  45.335  31.572   8.175
  175   2HG   ARG  24           HG1      ARG  24  44.303  32.509   7.093
  176   1HD   ARG  24           HD2      ARG  24  42.727  30.842   6.925
  177   2HD   ARG  24           HD1      ARG  24  43.911  29.556   7.131
  178    HE   ARG  24           HE       ARG  24  42.382  30.808   9.206
  179   1HH1  ARG  24          HH11      ARG  24  45.483  29.346   8.496
  180   2HH1  ARG  24          HH12      ARG  24  45.760  28.869  10.136
  181   1HH2  ARG  24          HH21      ARG  24  42.784  30.168  11.331
  182   2HH2  ARG  24          HH22      ARG  24  44.247  29.329  11.728
  183    H    GLU  25           HN       GLU  25  48.564  31.728   5.242
  184    HA   GLU  25           HA       GLU  25  49.446  32.939   7.684
  185   1HB   GLU  25           HB2      GLU  25  50.778  31.571   5.381
  186   2HB   GLU  25           HB1      GLU  25  51.763  32.532   6.484
  187   1HG   GLU  25           HG2      GLU  25  50.640  31.243   8.386
  188   2HG   GLU  25           HG1      GLU  25  50.027  30.147   7.147
  189    H    GLN  26           HN       GLN  26  49.715  33.784   4.248
  190    HA   GLN  26           HA       GLN  26  51.290  36.112   4.602
  191   1HB   GLN  26           HB2      GLN  26  49.502  35.100   2.415
  192   2HB   GLN  26           HB1      GLN  26  50.132  36.746   2.341
  193   1HG   GLN  26           HG2      GLN  26  52.440  35.704   2.787
  194   2HG   GLN  26           HG1      GLN  26  51.685  34.156   2.407
  195   1HE2  GLN  26          HE22      GLN  26  52.930  36.364  -0.625
  196   2HE2  GLN  26          HE21      GLN  26  53.511  36.472   0.967
  197    H    LEU  27           HN       LEU  27  47.786  35.598   4.409
  198    HA   LEU  27           HA       LEU  27  47.039  38.327   4.547
  199   1HB   LEU  27           HB2      LEU  27  45.566  35.800   5.313
  200   2HB   LEU  27           HB1      LEU  27  44.829  37.402   5.355
  201    HG   LEU  27           HG       LEU  27  46.206  36.367   2.877
  202   1HD1  LEU  27          HD12      LEU  27  44.350  34.815   3.676
  203   2HD1  LEU  27          HD11      LEU  27  43.240  36.167   3.449
  204   3HD1  LEU  27          HD13      LEU  27  44.119  35.507   2.070
  205   1HD2  LEU  27          HD23      LEU  27  44.211  38.545   3.532
  206   2HD2  LEU  27          HD22      LEU  27  45.807  38.717   2.802
  207   3HD2  LEU  27          HD21      LEU  27  44.488  37.997   1.878
  208    H    LYS  28           HN       LYS  28  47.565  35.852   7.019
  209    HA   LYS  28           HA       LYS  28  46.766  37.517   9.214
  210   1HB   LYS  28           HB2      LYS  28  46.884  34.937   9.137
  211   2HB   LYS  28           HB1      LYS  28  48.607  35.146   9.451
  212   1HG   LYS  28           HG2      LYS  28  48.030  36.525  11.455
  213   2HG   LYS  28           HG1      LYS  28  46.327  36.164  11.170
  214   1HD   LYS  28           HD2      LYS  28  47.266  33.658  11.123
  215   2HD   LYS  28           HD1      LYS  28  48.505  34.377  12.152
  216   1HE   LYS  28           HE2      LYS  28  46.546  35.393  13.489
  217   2HE   LYS  28           HE1      LYS  28  45.528  34.237  12.630
  218   1HZ   LYS  28           HZ3      LYS  28  46.988  32.457  13.427
  219   2HZ   LYS  28           HZ2      LYS  28  47.887  33.593  14.315
  220   3HZ   LYS  28           HZ1      LYS  28  46.260  33.301  14.706
  221    H    HIS  29           HN       HIS  29  49.773  36.831   7.548
  222    HA   HIS  29           HA       HIS  29  51.576  37.885   9.446
  223   1HB   HIS  29           HB2      HIS  29  51.671  37.433   6.485
  224   2HB   HIS  29           HB1      HIS  29  52.950  38.369   7.259
  225    HD1  HIS  29           HD1      HIS  29  53.279  36.880   9.895
  226    HD2  HIS  29           HD2      HIS  29  52.833  34.925   6.241
  227    HE1  HIS  29           HE1      HIS  29  54.260  34.565  10.197
  228    H    LYS  30           HN       LYS  30  50.052  39.402   6.604
  229    HA   LYS  30           HA       LYS  30  51.148  41.974   6.981
  230   1HB   LYS  30           HB2      LYS  30  48.744  40.922   5.524
  231   2HB   LYS  30           HB1      LYS  30  48.979  42.662   5.689
  232   1HG   LYS  30           HG2      LYS  30  51.100  42.573   4.577
  233   2HG   LYS  30           HG1      LYS  30  51.134  40.811   4.649
  234   1HD   LYS  30           HD2      LYS  30  49.680  40.572   2.891
  235   2HD   LYS  30           HD1      LYS  30  48.786  42.037   3.296
  236   1HE   LYS  30           HE2      LYS  30  50.890  43.322   2.562
  237   2HE   LYS  30           HE1      LYS  30  51.423  41.803   1.841
  238   1HZ   LYS  30           HZ1      LYS  30  48.784  43.027   1.274
  239   2HZ   LYS  30           HZ3      LYS  30  50.162  43.324   0.331
  240   3HZ   LYS  30           HZ2      LYS  30  49.537  41.748   0.446
  241    H    LEU  31           HN       LEU  31  48.304  40.393   8.306
  242    HA   LEU  31           HA       LEU  31  47.203  42.767   9.494
  243   1HB   LEU  31           HB2      LEU  31  46.160  40.330   8.956
  244   2HB   LEU  31           HB1      LEU  31  46.538  40.123  10.666
  245    HG   LEU  31           HG       LEU  31  44.989  42.481   9.558
  246   1HD1  LEU  31          HD13      LEU  31  44.025  39.970   9.524
  247   2HD1  LEU  31          HD12      LEU  31  43.684  40.370  11.207
  248   3HD1  LEU  31          HD11      LEU  31  43.012  41.361   9.912
  249   1HD2  LEU  31          HD21      LEU  31  45.701  41.477  12.317
  250   2HD2  LEU  31          HD23      LEU  31  45.947  43.087  11.640
  251   3HD2  LEU  31          HD22      LEU  31  44.322  42.546  12.059
  252    H    GLU  32           HN       GLU  32  49.257  40.108  10.577
  253    HA   GLU  32           HA       GLU  32  49.327  40.932  13.324
  254   1HB   GLU  32           HB2      GLU  32  49.891  38.603  12.263
  255   2HB   GLU  32           HB1      GLU  32  51.500  39.296  12.059
  256   1HG   GLU  32           HG2      GLU  32  51.161  40.009  14.587
  257   2HG   GLU  32           HG1      GLU  32  50.013  38.669  14.583
  258    H    GLN  33           HN       GLN  33  51.577  41.225  10.584
  259    HA   GLN  33           HA       GLN  33  53.611  42.618  11.955
  260   1HB   GLN  33           HB2      GLN  33  53.804  41.559   9.667
  261   2HB   GLN  33           HB1      GLN  33  52.920  42.946   9.030
  262   1HG   GLN  33           HG2      GLN  33  54.637  44.459   9.609
  263   2HG   GLN  33           HG1      GLN  33  55.380  43.322  10.734
  264   1HE2  GLN  33          HE21      GLN  33  57.323  42.597   9.875
  265   2HE2  GLN  33          HE22      GLN  33  57.582  42.203   8.245
  266    H    LEU  34           HN       LEU  34  50.674  43.695  10.342
  267    HA   LEU  34           HA       LEU  34  51.105  46.380  11.493
  268   1HB   LEU  34           HB2      LEU  34  50.408  45.675   8.655
  269   2HB   LEU  34           HB1      LEU  34  49.869  47.202   9.356
  270    HG   LEU  34           HG       LEU  34  52.728  46.463   9.756
  271   1HD1  LEU  34          HD13      LEU  34  52.145  45.942   7.332
  272   2HD1  LEU  34          HD12      LEU  34  51.758  47.653   7.147
  273   3HD1  LEU  34          HD11      LEU  34  53.399  47.160   7.563
  274   1HD2  LEU  34          HD21      LEU  34  51.175  49.000   9.166
  275   2HD2  LEU  34          HD23      LEU  34  51.902  48.531  10.703
  276   3HD2  LEU  34          HD22      LEU  34  52.930  48.946   9.332
  277   1HN   NH2  35           H1       LEU  34  49.366  46.893  12.792
  278   2HN   NH2  35           H2       LEU  34  47.790  46.292  12.601
  279   1H    ACE   2           HA1      ACE   2  39.264  -1.109   0.919
  280   2H    ACE   2           HA2      ACE   2  40.546  -2.090   0.210
  281   3H    ACE   2           HA3      ACE   2  39.584  -1.023  -0.813
  282    H    CYS   3           HN       CYS   3  39.561   1.343   0.273
  283    HA   CYS   3           HA       CYS   3  42.361   2.174   0.245
  284   1HB   CYS   3           HB2      CYS   3  39.734   3.622   0.025
  285   2HB   CYS   3           HB1      CYS   3  41.227   4.503   0.347
  286    H    GLY   4           HN       GLY   4  39.490   2.658   2.301
  287   1HA   GLY   4           HA2      GLY   4  39.961   2.199   4.746
  288   2HA   GLY   4           HA1      GLY   4  41.306   3.318   4.545
  289    H    GLY   5           HN       GLY   5  40.917   5.525   4.367
  290   1HA   GLY   5           HA2      GLY   5  38.200   6.361   5.186
  291   2HA   GLY   5           HA1      GLY   5  39.680   7.238   5.563
  292    H    MET   6           HN       MET   6  37.625   6.206   2.862
  293    HA   MET   6           HA       MET   6  38.805   8.061   1.000
  294   1HB   MET   6           HB2      MET   6  36.180   6.564   0.806
  295   2HB   MET   6           HB1      MET   6  37.035   7.354  -0.520
  296   1HG   MET   6           HG2      MET   6  38.672   5.729  -0.619
  297   2HG   MET   6           HG1      MET   6  38.541   5.344   1.096
  298   1HE   MET   6           HE3      MET   6  36.837   5.386  -2.270
  299   2HE   MET   6           HE2      MET   6  35.565   4.169  -2.194
  300   3HE   MET   6           HE1      MET   6  35.382   5.680  -1.307
  301    H    ARG   7           HN       ARG   7  35.474   7.811   2.257
  302    HA   ARG   7           HA       ARG   7  34.833  10.506   1.551
  303   1HB   ARG   7           HB2      ARG   7  33.470   8.344   3.118
  304   2HB   ARG   7           HB1      ARG   7  32.852   9.995   3.191
  305   1HG   ARG   7           HG2      ARG   7  32.886   9.988   0.643
  306   2HG   ARG   7           HG1      ARG   7  33.178   8.251   0.741
  307   1HD   ARG   7           HD2      ARG   7  30.835   8.407   0.560
  308   2HD   ARG   7           HD1      ARG   7  31.108   8.187   2.285
  309    HE   ARG   7           HE       ARG   7  31.040  10.962   1.613
  310   1HH1  ARG   7          HH11      ARG   7  28.989   8.164   2.082
  311   2HH1  ARG   7          HH12      ARG   7  27.612   9.108   2.536
  312   1HH2  ARG   7          HH21      ARG   7  29.221  12.154   2.209
  313   2HH2  ARG   7          HH22      ARG   7  27.741  11.348   2.608
  314    H    ARG   8           HN       ARG   8  36.039   8.926   4.435
  315    HA   ARG   8           HA       ARG   8  35.501  10.946   6.324
  316   1HB   ARG   8           HB2      ARG   8  37.466   8.703   6.136
  317   2HB   ARG   8           HB1      ARG   8  37.725   9.944   7.364
  318   1HG   ARG   8           HG2      ARG   8  35.322   9.600   8.082
  319   2HG   ARG   8           HG1      ARG   8  35.272   8.204   7.004
  320   1HD   ARG   8           HD2      ARG   8  36.794   6.991   8.284
  321   2HD   ARG   8           HD1      ARG   8  37.499   8.436   9.000
  322    HE   ARG   8           HE       ARG   8  34.744   8.041   9.757
  323   1HH1  ARG   8          HH11      ARG   8  38.056   7.153  10.459
  324   2HH1  ARG   8          HH12      ARG   8  37.718   6.748  12.106
  325   1HH2  ARG   8          HH21      ARG   8  34.347   7.502  11.911
  326   2HH2  ARG   8          HH22      ARG   8  35.636   6.943  12.923
  327    H    LYS   9           HN       LYS   9  38.522  10.288   4.539
  328    HA   LYS   9           HA       LYS   9  39.879  12.613   5.384
  329   1HB   LYS   9           HB2      LYS   9  40.220  10.681   3.123
  330   2HB   LYS   9           HB1      LYS   9  41.136  12.188   3.102
  331   1HG   LYS   9           HG2      LYS   9  42.096  11.697   5.281
  332   2HG   LYS   9           HG1      LYS   9  41.087  10.259   5.440
  333   1HD   LYS   9           HD2      LYS   9  42.182   9.376   3.334
  334   2HD   LYS   9           HD1      LYS   9  43.314  10.726   3.442
  335   1HE   LYS   9           HE2      LYS   9  42.887   8.994   5.853
  336   2HE   LYS   9           HE1      LYS   9  43.917   8.405   4.548
  337   1HZ   LYS   9           HZ3      LYS   9  44.285  11.125   5.616
  338   2HZ   LYS   9           HZ2      LYS   9  44.953   9.794   6.433
  339   3HZ   LYS   9           HZ1      LYS   9  45.406  10.124   4.829
  340    H    ASN  10           HN       ASN  10  37.867  11.951   2.545
  341    HA   ASN  10           HA       ASN  10  38.268  14.407   1.216
  342   1HB   ASN  10           HB2      ASN  10  36.135  12.306   1.148
  343   2HB   ASN  10           HB1      ASN  10  35.853  13.845   0.332
  344   1HD2  ASN  10          HD22      ASN  10  37.669  11.355  -1.917
  345   2HD2  ASN  10          HD21      ASN  10  36.300  11.171  -0.930
  346    H    ASP  11           HN       ASP  11  35.920  13.399   3.665
  347    HA   ASP  11           HA       ASP  11  34.339  15.740   3.648
  348   1HB   ASP  11           HB2      ASP  11  33.952  13.437   4.836
  349   2HB   ASP  11           HB1      ASP  11  34.822  14.192   6.172
  350    H    THR  12           HN       THR  12  37.123  14.795   5.649
  351    HA   THR  12           HA       THR  12  37.218  17.150   7.211
  352    HB   THR  12           HB       THR  12  39.780  16.417   7.279
  353    HG1  THR  12           HG1      THR  12  39.913  14.197   6.829
  354   1HG2  THR  12          HG22      THR  12  37.677  16.116   8.918
  355   2HG2  THR  12          HG21      THR  12  37.932  14.423   8.495
  356   3HG2  THR  12          HG23      THR  12  39.234  15.352   9.240
  357    H    HIS  13           HN       HIS  13  38.595  16.295   4.087
  358    HA   HIS  13           HA       HIS  13  40.333  18.503   3.797
  359   1HB   HIS  13           HB2      HIS  13  38.978  16.654   1.855
  360   2HB   HIS  13           HB1      HIS  13  39.897  18.043   1.275
  361    HD1  HIS  13           HD1      HIS  13  42.369  18.171   2.785
  362    HD2  HIS  13           HD2      HIS  13  40.647  14.469   1.940
  363    HE1  HIS  13           HE1      HIS  13  44.220  16.455   2.996
  364    H    GLN  14           HN       GLN  14  36.999  17.987   2.700
  365    HA   GLN  14           HA       GLN  14  36.638  20.512   1.495
  366   1HB   GLN  14           HB2      GLN  14  34.824  18.367   2.499
  367   2HB   GLN  14           HB1      GLN  14  34.128  19.957   2.183
  368   1HG   GLN  14           HG2      GLN  14  35.225  19.883  -0.095
  369   2HG   GLN  14           HG1      GLN  14  35.642  18.201   0.235
  370   1HE2  GLN  14          HE22      GLN  14  32.020  18.968  -1.189
  371   2HE2  GLN  14          HE21      GLN  14  33.346  20.019  -1.315
  372    H    GLN  15           HN       GLN  15  36.033  19.355   4.788
  373    HA   GLN  15           HA       GLN  15  34.800  21.693   5.781
  374   1HB   GLN  15           HB2      GLN  15  35.196  19.270   6.839
  375   2HB   GLN  15           HB1      GLN  15  36.553  20.107   7.594
  376   1HG   GLN  15           HG2      GLN  15  35.194  21.488   8.834
  377   2HG   GLN  15           HG1      GLN  15  33.920  21.504   7.614
  378   1HE2  GLN  15          HE22      GLN  15  34.006  18.474  10.381
  379   2HE2  GLN  15          HE21      GLN  15  35.401  19.405  10.120
  380    H    ASP  16           HN       ASP  16  38.193  20.607   5.982
  381    HA   ASP  16           HA       ASP  16  39.197  22.914   7.256
  382   1HB   ASP  16           HB2      ASP  16  40.300  20.552   6.666
  383   2HB   ASP  16           HB1      ASP  16  40.933  21.480   5.306
  384    H    ILE  17           HN       ILE  17  38.797  22.076   3.849
  385    HA   ILE  17           HA       ILE  17  40.117  24.314   2.740
  386    HB   ILE  17           HB       ILE  17  38.028  22.387   1.740
  387   1HG1  ILE  17          HG12      ILE  17  40.785  23.099   0.710
  388   2HG1  ILE  17          HG11      ILE  17  40.477  21.821   1.887
  389   1HG2  ILE  17          HG21      ILE  17  38.869  24.972   0.433
  390   2HG2  ILE  17          HG23      ILE  17  38.469  23.568  -0.559
  391   3HG2  ILE  17          HG22      ILE  17  37.262  24.252   0.530
  392   1HD1  ILE  17          HD11      ILE  17  38.769  20.923   0.156
  393   2HD1  ILE  17          HD13      ILE  17  39.603  21.968  -0.994
  394   3HD1  ILE  17          HD12      ILE  17  40.484  20.678  -0.176
  395    H    ASP  18           HN       ASP  18  36.618  23.785   2.613
  396    HA   ASP  18           HA       ASP  18  35.803  26.315   2.044
  397   1HB   ASP  18           HB2      ASP  18  34.548  23.994   3.381
  398   2HB   ASP  18           HB1      ASP  18  33.756  25.542   3.665
  399    H    ASP  19           HN       ASP  19  36.862  25.115   5.152
  400    HA   ASP  19           HA       ASP  19  35.864  27.324   6.697
  401   1HB   ASP  19           HB2      ASP  19  36.422  25.064   7.652
  402   2HB   ASP  19           HB1      ASP  19  38.127  25.447   7.411
  403    H    LEU  20           HN       LEU  20  38.901  26.512   5.104
  404    HA   LEU  20           HA       LEU  20  40.442  28.654   6.157
  405   1HB   LEU  20           HB2      LEU  20  40.712  26.981   3.657
  406   2HB   LEU  20           HB1      LEU  20  41.870  28.239   4.088
  407    HG   LEU  20           HG       LEU  20  41.125  26.188   6.144
  408   1HD1  LEU  20          HD12      LEU  20  41.737  25.075   3.898
  409   2HD1  LEU  20          HD11      LEU  20  43.352  25.735   4.156
  410   3HD1  LEU  20          HD13      LEU  20  42.671  24.593   5.314
  411   1HD2  LEU  20          HD22      LEU  20  43.559  27.862   5.474
  412   2HD2  LEU  20          HD21      LEU  20  42.522  27.990   6.895
  413   3HD2  LEU  20          HD23      LEU  20  43.579  26.592   6.699
  414    H    LYS  21           HN       LYS  21  38.579  28.268   3.159
  415    HA   LYS  21           HA       LYS  21  39.188  30.782   2.033
  416   1HB   LYS  21           HB2      LYS  21  37.034  28.753   1.640
  417   2HB   LYS  21           HB1      LYS  21  36.790  30.365   0.967
  418   1HG   LYS  21           HG2      LYS  21  39.181  30.104   0.005
  419   2HG   LYS  21           HG1      LYS  21  38.978  28.385   0.346
  420   1HD   LYS  21           HD2      LYS  21  37.032  28.259  -1.075
  421   2HD   LYS  21           HD1      LYS  21  37.005  30.011  -1.278
  422   1HE   LYS  21           HE2      LYS  21  39.366  29.768  -2.265
  423   2HE   LYS  21           HE1      LYS  21  39.023  28.041  -2.360
  424   1HZ   LYS  21           HZ3      LYS  21  37.186  30.065  -3.487
  425   2HZ   LYS  21           HZ2      LYS  21  38.481  29.432  -4.385
  426   3HZ   LYS  21           HZ1      LYS  21  37.252  28.404  -3.820
  427    H    ARG  22           HN       ARG  22  36.760  29.752   4.359
  428    HA   ARG  22           HA       ARG  22  35.226  32.155   4.328
  429   1HB   ARG  22           HB2      ARG  22  34.705  29.773   5.363
  430   2HB   ARG  22           HB1      ARG  22  35.423  30.494   6.805
  431   1HG   ARG  22           HG2      ARG  22  33.709  31.993   7.077
  432   2HG   ARG  22           HG1      ARG  22  33.441  32.161   5.343
  433   1HD   ARG  22           HD2      ARG  22  31.627  30.851   5.648
  434   2HD   ARG  22           HD1      ARG  22  32.761  29.516   5.818
  435    HE   ARG  22           HE       ARG  22  32.306  29.484   8.097
  436   1HH1  ARG  22          HH11      ARG  22  31.133  32.474   6.702
  437   2HH1  ARG  22          HH12      ARG  22  30.307  32.954   8.144
  438   1HH2  ARG  22          HH21      ARG  22  31.216  30.150   9.956
  439   2HH2  ARG  22          HH22      ARG  22  30.353  31.652   9.971
  440    H    GLN  23           HN       GLN  23  37.968  31.014   6.244
  441    HA   GLN  23           HA       GLN  23  38.009  33.263   8.018
  442   1HB   GLN  23           HB2      GLN  23  39.836  30.978   7.417
  443   2HB   GLN  23           HB1      GLN  23  40.505  32.382   8.250
  444   1HG   GLN  23           HG2      GLN  23  37.952  31.050   9.165
  445   2HG   GLN  23           HG1      GLN  23  39.536  30.525   9.736
  446   1HE2  GLN  23          HE22      GLN  23  40.128  33.843  11.269
  447   2HE2  GLN  23          HE21      GLN  23  40.933  32.836  10.165
  448    H    ASN  24           HN       ASN  24  39.819  32.363   5.099
  449    HA   ASN  24           HA       ASN  24  41.505  34.640   5.047
  450   1HB   ASN  24           HB2      ASN  24  40.545  32.937   2.733
  451   2HB   ASN  24           HB1      ASN  24  41.918  34.044   2.702
  452   1HD2  ASN  24          HD22      ASN  24  43.743  31.066   3.477
  453   2HD2  ASN  24          HD21      ASN  24  43.271  32.087   2.206
  454    H    ALA  25           HN       ALA  25  38.258  34.021   3.875
  455    HA   ALA  25           HA       ALA  25  37.971  36.248   2.168
  456   1HB   ALA  25           HB2      ALA  25  36.009  34.595   3.745
  457   2HB   ALA  25           HB1      ALA  25  35.480  35.989   2.802
  458   3HB   ALA  25           HB3      ALA  25  36.270  34.630   2.001
  459    H    LEU  26           HN       LEU  26  36.879  35.845   5.543
  460    HA   LEU  26           HA       LEU  26  36.116  38.537   5.922
  461   1HB   LEU  26           HB2      LEU  26  36.777  36.267   7.766
  462   2HB   LEU  26           HB1      LEU  26  36.569  37.890   8.424
  463    HG   LEU  26           HG       LEU  26  34.398  37.802   6.839
  464   1HD1  LEU  26          HD11      LEU  26  34.990  35.469   6.111
  465   2HD1  LEU  26          HD13      LEU  26  34.754  34.941   7.777
  466   3HD1  LEU  26          HD12      LEU  26  33.397  35.593   6.858
  467   1HD2  LEU  26          HD22      LEU  26  34.773  36.739   9.647
  468   2HD2  LEU  26          HD21      LEU  26  34.209  38.337   9.157
  469   3HD2  LEU  26          HD23      LEU  26  33.176  36.926   8.922
  470    H    LEU  27           HN       LEU  27  39.183  36.872   6.241
  471    HA   LEU  27           HA       LEU  27  40.566  38.907   7.667
  472   1HB   LEU  27           HB2      LEU  27  41.441  36.592   5.956
  473   2HB   LEU  27           HB1      LEU  27  42.615  37.758   6.568
  474    HG   LEU  27           HG       LEU  27  40.612  36.464   8.413
  475   1HD1  LEU  27          HD12      LEU  27  43.092  35.311   7.209
  476   2HD1  LEU  27          HD11      LEU  27  42.801  35.015   8.923
  477   3HD1  LEU  27          HD13      LEU  27  41.613  34.500   7.725
  478   1HD2  LEU  27          HD22      LEU  27  42.143  38.523   8.936
  479   2HD2  LEU  27          HD21      LEU  27  42.046  37.215  10.114
  480   3HD2  LEU  27          HD23      LEU  27  43.432  37.323   9.029
  481    H    GLU  28           HN       GLU  28  40.722  37.998   4.218
  482    HA   GLU  28           HA       GLU  28  42.247  40.184   3.348
  483   1HB   GLU  28           HB2      GLU  28  41.770  38.144   1.992
  484   2HB   GLU  28           HB1      GLU  28  40.118  38.719   1.767
  485   1HG   GLU  28           HG2      GLU  28  40.741  40.352   0.293
  486   2HG   GLU  28           HG1      GLU  28  42.262  40.669   1.128
  487    H    GLN  29           HN       GLN  29  38.729  39.779   3.557
  488    HA   GLN  29           HA       GLN  29  37.927  42.179   2.369
  489   1HB   GLN  29           HB2      GLN  29  36.540  40.145   3.325
  490   2HB   GLN  29           HB1      GLN  29  36.450  41.163   4.763
  491   1HG   GLN  29           HG2      GLN  29  35.385  42.930   3.572
  492   2HG   GLN  29           HG1      GLN  29  35.774  42.210   2.009
  493   1HE2  GLN  29          HE22      GLN  29  32.502  40.867   2.064
  494   2HE2  GLN  29          HE21      GLN  29  33.575  41.940   1.303
  495    H    GLN  30           HN       GLN  30  39.188  41.533   5.570
  496    HA   GLN  30           HA       GLN  30  38.586  44.241   6.498
  497   1HB   GLN  30           HB2      GLN  30  38.497  42.087   7.943
  498   2HB   GLN  30           HB1      GLN  30  40.254  42.234   7.993
  499   1HG   GLN  30           HG2      GLN  30  40.196  44.204   9.211
  500   2HG   GLN  30           HG1      GLN  30  38.609  44.662   8.592
  501   1HE2  GLN  30          HE22      GLN  30  37.044  43.413  11.471
  502   2HE2  GLN  30          HE21      GLN  30  37.096  44.588  10.247
  503    H    VAL  31           HN       VAL  31  41.285  42.276   5.426
  504    HA   VAL  31           HA       VAL  31  43.340  44.131   6.157
  505    HB   VAL  31           HB       VAL  31  43.399  41.941   4.063
  506   1HG1  VAL  31          HG12      VAL  31  45.477  43.681   5.359
  507   2HG1  VAL  31          HG11      VAL  31  45.902  42.040   4.871
  508   3HG1  VAL  31          HG13      VAL  31  45.326  43.196   3.670
  509   1HG2  VAL  31          HG23      VAL  31  42.931  41.634   6.766
  510   2HG2  VAL  31          HG22      VAL  31  43.669  40.415   5.728
  511   3HG2  VAL  31          HG21      VAL  31  44.686  41.495   6.679
  512    H    ARG  32           HN       ARG  32  41.309  43.643   3.339
  513    HA   ARG  32           HA       ARG  32  42.758  45.278   1.527
  514   1HB   ARG  32           HB2      ARG  32  40.689  43.624   1.191
  515   2HB   ARG  32           HB1      ARG  32  39.790  45.136   1.325
  516   1HG   ARG  32           HG2      ARG  32  41.589  46.028  -0.373
  517   2HG   ARG  32           HG1      ARG  32  41.814  44.317  -0.737
  518   1HD   ARG  32           HD2      ARG  32  39.416  44.088  -1.215
  519   2HD   ARG  32           HD1      ARG  32  39.163  45.784  -0.814
  520    HE   ARG  32           HE       ARG  32  41.099  45.753  -2.804
  521   1HH1  ARG  32          HH11      ARG  32  37.783  44.688  -2.448
  522   2HH1  ARG  32          HH12      ARG  32  37.413  44.910  -4.123
  523   1HH2  ARG  32          HH21      ARG  32  40.574  46.027  -4.980
  524   2HH2  ARG  32          HH22      ARG  32  38.978  45.661  -5.546
  525    H    ALA  33           HN       ALA  33  40.228  45.935   3.892
  526    HA   ALA  33           HA       ALA  33  39.830  48.666   3.120
  527   1HB   ALA  33           HB3      ALA  33  39.160  47.200   5.682
  528   2HB   ALA  33           HB2      ALA  33  38.654  48.849   5.314
  529   3HB   ALA  33           HB1      ALA  33  38.074  47.508   4.326
  530    H    LEU  34           HN       LEU  34  41.939  46.982   5.356
  531    HA   LEU  34           HA       LEU  34  43.018  49.552   6.318
  532   1HB   LEU  34           HB2      LEU  34  43.034  46.756   7.392
  533   2HB   LEU  34           HB1      LEU  34  44.328  47.862   7.855
  534    HG   LEU  34           HG       LEU  34  42.311  49.523   8.291
  535   1HD1  LEU  34          HD11      LEU  34  41.080  46.797   8.151
  536   2HD1  LEU  34          HD13      LEU  34  40.495  47.918   9.380
  537   3HD1  LEU  34          HD12      LEU  34  40.406  48.356   7.674
  538   1HD2  LEU  34          HD22      LEU  34  44.013  48.345   9.900
  539   2HD2  LEU  34          HD21      LEU  34  42.539  49.039  10.575
  540   3HD2  LEU  34          HD23      LEU  34  42.647  47.301  10.294
  541   1HN   NH2  35           H1       LEU  34  44.262  49.996   4.332
  542   2HN   NH2  35           H2       LEU  34  45.680  49.124   4.000
   
  No H/Q in entry =         542