*HEADER   COMPLEX (TRANSCRIPTION REGULATION/DNA)  07-NOV-97   2GAT    
*TITLE    SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF CHICKEN      
*TITLE   2 GATA-1 BOUND TO DNA, NMR, REGULARIZED MEAN STRUCTURE       
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: GATA-1;                                          
*COMPND  3 CHAIN: A;                                                  
*COMPND  4 FRAGMENT: C-TERMINAL DOMAIN;                               
*COMPND  5 ENGINEERED: YES;                                           
*COMPND  6 MOL_ID: 2;                                                 
*COMPND  7 MOLECULE: DNA;                                             
*COMPND  8 CHAIN: B, C;                                               
*COMPND  9 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: GALLUS GALLUS;                        
*SOURCE  3 ORGANISM_COMMON: CHICKEN;                                  
*SOURCE  4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  5 MOL_ID: 2;                                                 
*SOURCE  6 SYNTHETIC: YES                                             
*KEYWDS   DNA BINDING PROTEIN, TRANSCRIPTION FACTOR, ZINC BINDING     
*KEYWDS  2 DOMAIN, COMPLEX (TRANSCRIPTION REGULATION/DNA)             
*EXPDTA   NMR, REGULARIZED MEAN STRUCTURE                             
*AUTHOR   G.M.CLORE,N.TJANDRA,M.STARICH,J.G.OMICHINSKI,A.M.GRONENBORN 
*REVDAT  1   28-JAN-98 2GAT    0                                      
 
EXPERIMENTAL RESTRAINTS FOR 2GAT and 3GAT
TITLE     SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF CHICKEN GATA-1
TITLE     BOUND TO DNA
HEADER    TRANSCRIPTION REGULATION                            
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: GATA-1 AND DNA;
COMPND   3 CHAIN: NULL                                                          
EXPDTA    NMR, REGULARIZED MEAN STRUCTURE                                                          
AUTHOR    G.M.CLORE,N. TJANDRA, M. STARICH, J.G.OMICHINSKI,             
AUTHOR    A.M.GRONENBORN                                                
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: CHICKEN
SOURCE   3 EXPRESSION_SYSTEM: ESCHERICHIA COLI 
SOURCE   4 MOL_ID: 2;
SOURCE   5 SYNTHETIC
KEYWDS      DNA BINDING PROTEIN,
KEYWDS   2  TRANSCRIPTION FACTOR, ZINC BINDING DOMAIN
JRNL        AUTH   N. TJANDRA, J.G. OMICHINSKI, A.M. GRONENBORN,
JRNL        AUTH 2 G.M. CLORE, A. BAX
JRNL        TITL   USE OF DIPOLAR 1H-15N and 1H-13C COUPLINGS IN THE
JRNL        TITL 2 STRUCTURE DETERMINATION OF MAGNETICALLY ORIENTED
JRNL        TITL 3 MACROMOLECULES IN SOLUTION.
JRNL        REF    NATURE STRUCTURAL BIOLOGY 4, 732-738 (1997)
REMARK 1     REFERENCE 1:  M.R. STARICH, M. WIKSTROM, S SHUNACHER, H.N. ARST, 
REMARK 1     G.M.CLORE, A.M.GRONENBORN (1997) SOLUTION STRUCTURE OF WILD TYPE
REMARK 1     AND MUTANT AREA PROTEIN-DNA COMPLEXES: DETERMINANTS OF AFFINITY AND
REMARK 1     SPECIFICITY IN GATA FACTORS. GENES & DEVELOPMENT IN PRESS
REMARK 1     REFERENCE 2: J.G. OMICHINSKI, G.M. CLORE, O. SCHAAD, G. FELSENFELD, C. TRAINOR,
REMARK 1     E. APPELLA, S.J. STAHL, A.M. GRONENBORN (1993) NMR STRUCTURE
REMARK 1     A SPECIFIC DNA COMPLEX OF ZN-CONTAINING DNA BINDING DOMAIN OF 
REMARK 1     GATA-1. SCIENCE 261, 438-446.
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : X-PLOR 3.1                                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS:                                           
REMARK   3  THE STRUCTURES WERE CALCULATED USING THE SIMULATED                  
REMARK   3  ANNEALING PROTOCOL OF NILGES ET AL.  (1988) FEBS LETT.              
REMARK   3  229, 129 - 136 AND PROTEIN ENGINEERING 2, 27 - 38 USING THE PROGRAM
REMARK   3  XPLOR MODIFIED TO INCORPORATE DIPOLAR COUPLING RESTRAINTS
REMARK   3  (TJANDRA ET AL. (1997) NATURE STRUCT BIOL 4, 732-738) AND A
REMARK   3  CONFORMATIONAL DATABASE POTENTIAL FOR PROTEINS AND NUCLEIC
REMARK   3  ACIDS (KUSZWESKI ET AL. (1996) PROTEIN SCI 5, 1067 - 1080
REMARK   3  AND (1997) J. MAGN. RESON. 125, 171-177). THE EXPERIMENTAL
REMARK   3  RESTRAINTS ARE GIVEN IN 2GATMR
REMARK   3                                                                      


A. NOE restraints


1. intermolecular noes

!#  THR 16


assign (resid 16 and name HA) (resid 124 and name H3') 4.0 2.2 2.0
assign (resid 16 and name HA) (resid 125 and name H5#) 4.0 2.2 2.5

assign (resid 16 and name HB) (resid 124 and name H8) 4.0 1.8 2.0
assign (resid 16 and name HB) (resid 124 and name H1') 4.0 2.2 2.0
!assign (resid 16 and name HB) (resid 124 and name H4') 4.0 2.2 2.0
assign (resid 16 and name HB) (resid 125 and name H6) 4.0 1.8 2.0
assign (resid 16 and name HB) (resid 125 and name H5#) 3.0 1.2 2.0


assign (resid 16 and name HG2#) (resid 124 and name H8) 3.0 1.2 2.0
assign (resid 16 and name HG2#) (resid 124 and name H1') 4.0 2.2 2.5
assign (resid 16 and name HG2#) (resid 124 and name H4') 4.0 2.2 2.5
assign (resid 16 and name HG2#) (resid 124 and (name h5' or name h5'')) 4.0 2.2 3.5
assign (resid 16 and name HG2#) (resid 124 and name H2'') 3.0 1.2 2.0
assign (resid 16 and name HG2#) (resid 124 and name H2') 3.0 1.2 2.0
assign (resid 16 and name hg2#) (resid 124 and name h3') 2.5 0.7 1.7
assign (resid 16 and name HG2#) (resid 125 and name H6) 3.0 1.2 2.0



!# LEU 17

assign (resid 17 and name HN) (resid 125 and name H5#) 3.0 1.2 2.0

assign (resid 17 and name HD1#) (resid 106 and name H8) 4.0 1.8 3.5
assign (resid 17 and name HG) (resid 106 and name H8) 4.0 1.8 3.5

assign (resid 17 and name HD2#) (resid 125 and name H5#) 3.0 1.2 3.3 
assign (resid 17 and name HB2) (resid 125 and name H5#) 4.0 2.2 2.5 
assign (resid 17 and name HB1) (resid 125 and name H5#) 4.0 2.2 2.25

assign (resid 17 and name hd1#) (resid 126 and name hn') 4.0 2.2 2.5
assign (resid 17 and name hd1#) (resid 126 and name hn'') 4.0 2.2 2.5

assign (resid 17 and name hd*) (resid 107 and name h8) 4.0 1.8 3.5
assign (resid 17 and name hb1) (resid 107 and name h8) 4.0 2.2 1.0
assign (resid 17 and name hb2) (resid 107 and name h8) 4.0 2.2 2.0


!# ALA 30

assign (resid 30 and name HA) (resid 123 and name H6) 4.0 2.2 1.0
assign (resid 30 and name HA) (resid 123 and name H2'') 4.0 2.2 1.0
assign (resid 30 and name HA) (resid 123 and name H2') 3.0 1.2 0.5
assign (resid 30 and name HA) (resid 123 and name H3') 3.0 1.2 0.5


assign (resid 30 and name HB#) (resid 123 and name H6) 3.0 1.2 2.0
assign (resid 30 and name HB#) (resid 123 and name H1') 4.0 2.2 2.5
assign (resid 30 and name HB#) (resid 123 and name H2'') 4.0 2.2 2.5
assign (resid 30 and name HB#) (resid 123 and name H2') 3.0 1.2 2.0
assign (resid 30 and name HB#) (resid 123 and name H3') 3.0 1.2 2.0
assign (resid 30 and name HB#) (resid 123 and name H4') 4.0 1.2 3.0



!# LEU 33

assign (resid 33 and name HD1#) (resid 123 and name H6) 3.0 1.2 1.8 !ha
assign (resid 33 and name HD1#) (resid 124 and name H8) 4.0 2.2 2.5 !ha
assign (resid 33 and name HD1#) (resid 123 and name H1') 4.0 2.2 2.5 !ha
assign (resid 33 and name HD1#) (resid 123 and name H2') 3.0 1.2 1.8 !ha
assign (resid 33 and name HD1#) (resid 123 and name H2'') 4.0 2.2 2.5 !ha
assign (resid 33 and name hd1#) (resid 123 and name h3') 4.0 1.2 3.5 !ha
assign (resid 33 and name HD1#) (resid 123 and name H5#) 3.0 1.2 1.8 !ha 
assign (resid 33 and name HD2#) (resid 123 and name H5#) 3.0 1.2 2.3 ! hb

assign (resid 33 and name hd1#) (resid 125 and name h5#) 4.0 2.2 3.5 !ha

assign (resid 33 and name hd2#) (resid 109 and name h5#) 4.0 2.2 3.5

!Lys 36
assign (resid 36 and name he#) (resid 123 and name h5#) 4.0 2.2 3.5
assign (resid 36 and name he#) (resid 109 and name h5#) 4.0 2.2 3.5


!Leu 37
assign (resid 37 and name hd1#) (resid 122 and name h5#) 3.0 1.2 3.5
assign (resid 37 and name hd2#) (resid 122 and name h5#) 3.0 1.2 3.5
assign (resid 37 and name hd1#) (resid 123 and name h5#) 3.0 1.2 3.5
assign (resid 37 and name hd2#) (resid 123 and name h5#) 3.0 1.2 3.5


!# MET 46


assign (resid 46 and name HE#) (resid 122 and name H1') 4.0 2.2 1.0
assign (resid 46 and name HE#) (resid 122 and name H3') 3.0 1.2 2.0
assign (resid 46 and name HE#) (resid 122 and name H2') 4.0 2.2 2.5
assign (resid 46 and name HE#) (resid 123 and name H5#) 4.0 2.2 4.0
assign (resid 46 and name he#) (resid 123 and name h5') 3.0 1.2 2.0 
assign (resid 46 and name he#) (resid 123 and name h5'') 3.0 1.2 2.0 

!# ILE 51

assign (resid 51 and name HG2#) (resid 124 and name H3') 3.0 1.2 2.0
assign (resid 51 and name HG2#) (resid 124 and name H4') 4.0 1.2 2.5
assign (resid 51 and name HG2#) (resid 124 and name H5') 4.0 1.2 2.5
assign (resid 51 and name HG2#) (resid 124 and name h5'') 4.0 1.2 2.5

assign (resid 51 and name hd#) (resid 124 and name H3') 4.0 1.2 2.5


!Gln 52
assign (resid 52 and name Hb1) (resid 124 and name H3') 4.0 1.2 2.0
assign (resid 52 and name Hb1) (resid 124 and name H4') 4.0 1.2 1.0
assign (resid 52 and name Hb1) (resid 124 and name H5') 4.0 1.2 1.0
assign (resid 52 and name Hb1) (resid 124 and name h5'') 4.0 1.2 1.0

assign (resid 52 and name Hb2) (resid 124 and name H3') 4.0 1.2 2.0
assign (resid 52 and name Hb2) (resid 124 and name H4') 4.0 1.2 1.0
assign (resid 52 and name Hb2) (resid 124 and name H5') 4.0 1.2 1.0
assign (resid 52 and name Hb2) (resid 124 and name h5'') 4.0 1.2 1.0

assign (resid 52 and name Hg#) (resid 124 and (name h5' or name h5'')) 4.0 1.2 3.0

assign (resid 52 and name he2#) (resid 123 and name h4') 3.0 1.2 1.5

!# Thr 53

assign (resid 53 and name hg2#) (resid 124 and name h3') 4.0 1.2 2.5
assign (resid 53 and name hg2#) (resid 124 and (name h5' or name h5'')) 4.0 1.2 4.0

assign (resid 53 and name ha) (resid 124 and name h3') 4.0 2.2 1.0
assign (resid 53 and name ha) (resid 124 and (name h5' or name h5'')) 4.0 2.2 2.0

assign (resid 53 and name hb) (resid 124 and (name h5' or name h5'')) 4.0 2.2 3.0

!#Asn 55


!#Arg 54
assign (resid 54 and name he) (resid 113 and (name h5' or name h5'')) 4.0 2.2 2.0
assign (resid 54 and name hg#) (resid 113 and (name h5' or name h5'')) 4.0 2.2 3.0

!# ARG 56

assign (resid 56 and name HD#) (resid 125 and name H1') 4.0 2.2 2.0
assign (resid 56 and name hd#) (resid 125 and name h4') 4.0 2.2 2.0
assign (resid 56 and name hd#) (resid 125 and name h5') 4.0 2.2 3.0
assign (resid 56 and name hd#) (resid 125 and name h5'') 4.0 2.2 3.0

assign (resid 56 and name hd#) (resid 126 and name h4') 4.0 2.2 2.0
assign (resid 56 and name hd#) (resid 126 and name h5') 4.0 2.2 3.0
assign (resid 56 and name hd#) (resid 126 and name h5'') 4.0 2.2 3.0


assign (resid 56 and name he) (resid 125 and name h4') 4.0 2.2 1.0
assign (resid 56 and name he) (resid 126 and name h5') 4.0 2.2 2.0
assign (resid 56 and name he) (resid 126 and name h5'') 4.0 2.2 2.0


assign (resid 56 and name hb#) (resid 125 and name h4') 4.0 2.2 3.5 !ba
assign (resid 56 and name hb#) (resid 125 and name h5') 4.0 2.2 4.0 !ba
assign (resid 56 and name hb#) (resid 125 and name h5'') 4.0 2.2 4.0 !ba bb

assign (resid 56 and name hb#) (resid 126 and name h4') 4.0 2.2 3.5 !ba


assign (resid 56 and name hg#) (resid 125 and name h4') 4.0 2.2 3.5 !ba
assign (resid 56 and name hg#) (resid 125 and name h5') 4.0 2.2 4.0 !ba
assign (resid 56 and name hg#) (resid 125 and name h5'') 4.0 2.2 4.0 !ba bb

assign (resid 56 and name hg#) (resid 126 and name h4') 4.0 2.2 3.5 !ba



!Lys 57
assign (resid 57 and name he#) (resid 124 and name h2) 4.0 2.2 2.0

assign (resid 57 and name he#) (resid 108 and name h2) 4.0 2.2 2.0
assign (resid 57 and name he#) (resid 111 and (name h5' or name h5'')) 4.0 2.2 2.0
assign (resid 57 and name he#) (resid 111 and name h4') 4.0 2.2 2.0
assign (resid 57 and name he#) (resid 110 and name h1') 4.0 2.2 2.0
assign (resid 57 and name hd#) (resid 111 and (name h5' or name h5'')) 3.0 1.2 2.5
assign (resid 57 and name hd#) (resid 111 and name h4') 4.0 2.2 2.0
assign (resid 57 and name hd#) (resid 110 and name h1') 4.0 2.2 2.0
assign (resid 57 and name hb#) (resid 111 and (name h5' or name h5'')) 4.0 2.2 2.0
assign (resid 57 and name hb#) (resid 111 and name h4') 4.0 2.2 2.0
assign (resid 57 and name hb#) (resid 110 and name h1') 4.0 2.2 2.0
assign (resid 57 and name hg#) (resid 111 and (name h5' or name h5'')) 4.0 2.2 2.0
assign (resid 57 and name hg#) (resid 111 and name h4') 4.0 2.2 2.0
assign (resid 57 and name hg#) (resid 110 and name h1') 4.0 2.2 2.0

assign (resid 57 and name he#) (resid 125 and name h1') 4.0 1.2 2.0

assign (resid 57 and name he#) (resid 126 and name h1') 4.0 1.2 3.0
assign (resid 57 and name he#) (resid 109 and name h1') 4.0 1.2 3.0

!Ser 59
assign (resid 59 and name ha) (resid 126 and name h4') 4.0 2.2 1.0
assign (resid 59 and name hb#) (resid 126 and name h4') 4.0 2.2 2.0

2. DNA intramolecular

!intraresidue
assign (resid 101 and name h1') (resid 101 and name h2') 3.0 0.7 0.5
assign (resid 101 and name h1') (resid 101 and name h2'') 2.5 0.7 0.01 
assign (resid 101 and name h1') (resid 101 and name h8) 4.0 1.5 1.0
assign (resid 101 and name h2') (resid 101 and name h8) 3.0 0.7 0.5
assign (resid 101 and name h3') (resid 101 and name h8) 4.0 1.5 1.0

assign (resid 102 and name h1') (resid 102 and name h2') 3.0 0.7 0.5
assign (resid 102 and name h1') (resid 102 and name h2'') 2.5 0.7 0.01 
assign (resid 102 and name h1') (resid 102 and name h6) 3.0 0.7 0.5
assign (resid 102 and name h2') (resid 102 and name h6) 2.5 0.7 0.01
assign (resid 102 and name h3') (resid 102 and name h6) 3.0 0.7 0.5

assign (resid 103 and name h1') (resid 103 and name h2') 3.0 0.7 0.5
assign (resid 103 and name h1') (resid 103 and name h2'') 2.5 0.7 0.01 
assign (resid 103 and name h1') (resid 103 and name h6) 3.0 0.7 0.5
assign (resid 103 and name h2') (resid 103 and name h6) 2.5 0.7 0.01
assign (resid 103 and name h3') (resid 103 and name h6) 4.0 1.5 1.0

assign (resid 104 and name h1') (resid 104 and name h2') 3.0 0.7 0.5
assign (resid 104 and name h1') (resid 104 and name h2'') 2.5 0.7 0.01 
assign (resid 104 and name h1') (resid 104 and name h8) 4.0 1.5 1.0
assign (resid 104 and name h2') (resid 104 and name h8) 2.5 0.7 0.01
assign (resid 104 and name h3') (resid 104 and name h8) 4.0 1.5 1.0
assign (resid 104 and name h1') (resid 104 and name h4') 3.0 0.7 0.5

assign (resid 105 and name h1') (resid 105 and name h2') 3.0 0.7 0.5
assign (resid 105 and name h1') (resid 105 and name h2'') 2.5 0.7 0.01 
assign (resid 105 and name h1') (resid 105 and name h6) 3.0 0.7 0.5
assign (resid 105 and name h2') (resid 105 and name h6) 2.5 0.7 0.01
assign (resid 105 and name h3') (resid 105 and name h6) 4.0 1.5 1.0

assign (resid 106 and name h1') (resid 106 and name h2') 3.0 0.7 0.5
assign (resid 106 and name h1') (resid 106 and name h2'') 3.0 0.7 0.5
assign (resid 106 and name h1') (resid 106 and name h8) 3.0 0.7 0.5
assign (resid 106 and name h2') (resid 106 and name h8) 2.5 0.7 0.01
assign (resid 106 and name h1') (resid 106 and name h4') 3.0 0.7 0.5

assign (resid 107 and name h1') (resid 107 and name h2') 3.0 0.7 0.5
assign (resid 107 and name h1') (resid 107 and name h2'') 2.5 0.7 0.01 
assign (resid 107 and name h1') (resid 107 and name h8) 4.0 1.5 1.0
assign (resid 107 and name h2') (resid 107 and name h8) 2.5 0.7 0.01
assign (resid 107 and name h3') (resid 107 and name h8) 3.0 0.7 1.0

assign (resid 108 and name h1') (resid 108 and name h2') 3.0 0.7 0.5
assign (resid 108 and name h1') (resid 108 and name h2'') 2.5 0.7 0.01 
assign (resid 108 and name h1') (resid 108 and name h8) 4.0 1.5 1.0
assign (resid 108 and name h2') (resid 108 and name h8) 2.5 0.7 0.01
assign (resid 108 and name h3') (resid 108 and name h8) 4.0 1.5 1.0

assign (resid 109 and name h1') (resid 109 and name h2') 3.0 0.7 0.5
assign (resid 109 and name h1') (resid 109 and name h2'') 2.5 0.7 0.01 
assign (resid 109 and name h1') (resid 109 and name h6) 3.0 0.7 0.5
assign (resid 109 and name h2') (resid 109 and name h6) 2.5 0.7 0.01

assign (resid 110 and name h1') (resid 110 and name h2') 3.0 0.7 0.5
assign (resid 110 and name h1') (resid 110 and name h2'') 2.5 0.7 0.01 
assign (resid 110 and name h1') (resid 110 and name h8) 4.0 1.5 1.0
assign (resid 110 and name h2') (resid 110 and name h8) 2.5 0.7 0.01
assign (resid 110 and name h3') (resid 110 and name h8) 4.0 1.5 1.0

assign (resid 111 and name h1') (resid 111 and name h2') 3.0 0.7 0.5
assign (resid 111 and name h1') (resid 111 and name h2'') 2.5 0.7 0.01 
assign (resid 111 and name h1') (resid 111 and name h8) 4.0 1.5 1.0
assign (resid 111 and name h2') (resid 111 and name h8) 2.5 0.7 0.01

assign (resid 112 and name h1') (resid 112 and name h2') 3.0 0.7 0.5
assign (resid 112 and name h1') (resid 112 and name h2'') 2.5 0.7 0.01 
assign (resid 112 and name h1') (resid 112 and name h8) 4.0 1.5 1.0
assign (resid 112 and name h2') (resid 112 and name h8) 2.5 0.7 0.01
assign (resid 112 and name h3') (resid 112 and name h8) 4.0 1.5 1.0

assign (resid 113 and name h1') (resid 113 and name h2') 3.0 0.7 0.5
assign (resid 113 and name h1') (resid 113 and name h2'') 2.5 0.7 0.01 
assign (resid 113 and name h1') (resid 113 and name h6) 3.0 0.7 0.5
assign (resid 113 and name h2') (resid 113 and name h6) 2.5 0.7 0.01
assign (resid 113 and name h3') (resid 113 and name h6) 4.0 1.5 1.0

assign (resid 114 and name h1') (resid 114 and name h2') 3.0 0.7 0.5
assign (resid 114 and name h1') (resid 114 and name h2'') 2.5 0.7 0.01 
assign (resid 114 and name h1') (resid 114 and name h8) 3.0 0.7 0.5
assign (resid 114 and name h2') (resid 114 and name h8) 2.5 0.7 0.01

assign (resid 115 and name h1') (resid 115 and name h2') 3.0 0.7 0.5
assign (resid 115 and name h1') (resid 115 and name h2'') 2.5 0.7 0.01 
assign (resid 115 and name h1') (resid 115 and name h6) 3.0 0.7 0.5
assign (resid 115 and name h2') (resid 115 and name h6) 2.5 0.7 0.01

assign (resid 116 and name h1') (resid 116 and name h2') 3.0 0.7 0.5
assign (resid 116 and name h1') (resid 116 and name h2'') 2.5 0.7 0.01 
assign (resid 116 and name h1') (resid 116 and name h6) 3.0 0.7 0.5
assign (resid 116 and name h2') (resid 116 and name h6) 2.5 0.7 0.01
assign (resid 116 and name h3') (resid 116 and name h6) 3.0 0.7 0.5
assign (resid 116 and name h1') (resid 116 and name h4') 3.0 0.7 0.5

assign (resid 117 and name h1') (resid 117 and name h2') 3.0 0.7 0.5
assign (resid 117 and name h1') (resid 117 and name h2'') 2.5 0.7 0.01 
assign (resid 117 and name h1') (resid 117 and name h8) 3.0 0.7 0.5
assign (resid 117 and name h2') (resid 117 and name h8) 3.0 0.7 0.5
assign (resid 117 and name h3') (resid 117 and name h8) 4.0 1.5 1.0

assign (resid 118 and name h1') (resid 118 and name h2') 3.0 0.7 0.5
assign (resid 118 and name h1') (resid 118 and name h2'') 2.5 0.7 0.01 
assign (resid 118 and name h1') (resid 118 and name h8) 3.0 0.7 0.5
assign (resid 118 and name h2') (resid 118 and name h8) 2.5 0.7 0.01
assign (resid 118 and name h3') (resid 118 and name h8) 3.0 0.7 0.5

assign (resid 119 and name h1') (resid 119 and name h2') 3.0 0.7 0.5
assign (resid 119 and name h1') (resid 119 and name h2'') 2.5 0.7 0.01 
assign (resid 119 and name h1') (resid 119 and name h6) 3.0 0.7 0.5
assign (resid 119 and name h2') (resid 119 and name h6) 2.5 0.7 0.01
assign (resid 119 and name h3') (resid 119 and name h6) 4.0 1.5 1.0
assign (resid 119 and name h1') (resid 119 and name h4') 3.0 0.7 0.5

assign (resid 120 and name h1') (resid 120 and name h2') 3.0 0.7 0.5
assign (resid 120 and name h1') (resid 120 and name h2'') 2.5 0.7 0.01 
assign (resid 120 and name h1') (resid 120 and name h8) 4.0 1.5 1.0
assign (resid 120 and name h2') (resid 120 and name h8) 2.5 0.7 0.01
assign (resid 120 and name h3') (resid 120 and name h8) 4.0 1.5 1.0

assign (resid 121 and name h1') (resid 121 and name h2') 3.0 0.7 0.5
assign (resid 121 and name h1') (resid 121 and name h2'') 2.5 0.7 0.01 
assign (resid 121 and name h1') (resid 121 and name h6) 4.0 1.5 1.0
assign (resid 121 and name h2') (resid 121 and name h6) 4.0 2.2 1.0
assign (resid 121 and name h3') (resid 121 and name h6) 4.0 1.5 1.0

assign (resid 122 and name h1') (resid 122 and name h2') 3.0 0.7 0.5
assign (resid 122 and name h1') (resid 122 and name h2'') 2.5 0.7 0.01 
assign (resid 122 and name h1') (resid 122 and name h6) 4.0 1.5 1.0
assign (resid 122 and name h2') (resid 122 and name h6) 3.0 1.2 0.5
assign (resid 122 and name h3') (resid 122 and name h6) 4.0 1.5 1.0

assign (resid 123 and name h1') (resid 123 and name h2') 3.0 0.7 0.5
assign (resid 123 and name h1') (resid 123 and name h2'') 2.5 0.7 0.01 
assign (resid 123 and name h1') (resid 123 and name h6) 5.0 2.0 1.0
assign (resid 123 and name h2') (resid 123 and name h6) 4.0 2.2 1.0

assign (resid 124 and name h1') (resid 124 and name h2') 3.0 0.7 0.5
assign (resid 124 and name h1') (resid 124 and name h2'') 2.5 0.7 0.01 
assign (resid 124 and name h1') (resid 124 and name h8) 3.0 0.7 0.5
assign (resid 124 and name h2') (resid 124 and name h8) 2.5 0.7 0.01
assign (resid 124 and name h3') (resid 124 and name h8) 3.0 0.7 1.0

assign (resid 125 and name h1') (resid 125 and name h2') 3.0 0.7 0.5
assign (resid 125 and name h1') (resid 125 and name h2'') 2.5 0.7 0.01 
assign (resid 125 and name h1') (resid 125 and name h6) 3.0 0.7 0.5
assign (resid 125 and name h2') (resid 125 and name h6) 2.5 0.7 0.01
assign (resid 125 and name h3') (resid 125 and name h6) 3.0 0.7 1.0
assign (resid 125 and name h1') (resid 125 and name h4') 3.0 0.7 0.5

assign (resid 126 and name h1') (resid 126 and name h2') 3.0 0.7 0.5
assign (resid 126 and name h1') (resid 126 and name h2'') 2.5 0.7 0.01 
assign (resid 126 and name h1') (resid 126 and name h6) 4.0 1.5 1.0
assign (resid 126 and name h2') (resid 126 and name h6) 2.5 0.7 0.01
assign (resid 126 and name h3') (resid 126 and name h6) 4.0 1.5 1.0

assign (resid 127 and name h1') (resid 127 and name h2') 3.0 0.7 0.5
assign (resid 127 and name h1') (resid 127 and name h2'') 2.5 0.7 0.01 
assign (resid 127 and name h1') (resid 127 and name h6) 4.0 1.5 1.0
assign (resid 127 and name h2') (resid 127 and name h6) 2.5 0.7 0.01
assign (resid 127 and name h3') (resid 127 and name h6) 4.0 1.5 1.0

assign (resid 128 and name h1') (resid 128 and name h2') 3.0 0.7 0.5
assign (resid 128 and name h1') (resid 128 and name h2'') 2.5 0.7 0.01 
assign (resid 128 and name h1') (resid 128 and name h8) 3.0 0.7 0.5
assign (resid 128 and name h2') (resid 128 and name h8) 2.5 0.7 0.01
assign (resid 128 and name h3') (resid 128 and name h8) 3.0 0.7 1.0

assign (resid 129 and name h1') (resid 129 and name h2') 3.0 0.7 0.5
assign (resid 129 and name h1') (resid 129 and name h2'') 2.5 0.7 0.01 
assign (resid 129 and name h1') (resid 129 and name h6) 4.0 1.5 1.0
assign (resid 129 and name h2') (resid 129 and name h6) 2.5 0.7 0.01

assign (resid 130 and name h1') (resid 130 and name h2') 3.0 0.7 0.5
assign (resid 130 and name h1') (resid 130 and name h2'') 2.5 0.7 0.01 
assign (resid 130 and name h1') (resid 130 and name h8) 3.0 0.7 0.5
assign (resid 130 and name h2') (resid 130 and name h8) 2.5 0.7 0.01

assign (resid 131 and name h1') (resid 131 and name h2') 3.0 0.7 0.5
assign (resid 131 and name h1') (resid 131 and name h2'') 2.5 0.7 0.01 
assign (resid 131 and name h1') (resid 131 and name h8) 3.0 0.7 0.5
assign (resid 131 and name h2') (resid 131 and name h8) 2.5 0.7 0.01
assign (resid 131 and name h3') (resid 131 and name h8) 3.0 0.7 0.5

assign (resid 132 and name h1') (resid 132 and name h2') 2.5 0.7 0.01
assign (resid 132 and name h1') (resid 132 and name h2'') 2.5 0.7 0.01 
assign (resid 132 and name h1') (resid 132 and name h6) 3.0 0.7 0.5
assign (resid 132 and name h2') (resid 132 and name h6) 2.5 0.7 0.01
assign (resid 132 and name h3') (resid 132 and name h6) 3.0 0.7 0.5


!noes involving h2 and or nh
assign (resid 124 and name h2) (resid 110 and name h2) 3.0 0.7 0.5
assign (resid 114 and name h2) (resid 120 and name h1') 4.0 1.5 1.0
assign (resid 108 and name h2) (resid 126 and name h1') 3.0 0.7 1.0
assign (resid 118 and name h2) (resid 116 and name h1') 4.0 1.5 1.0
assign (resid 114 and name h2) (resid 118 and name h2) 3.0 0.7 0.5
assign (resid 124 and name h2) (resid 108 and name h2) 4.0 1.5 1.0

assign (resid 102 and name h3) (resid 103 and name h3) 5.0 2.0 1.0
assign (resid 103 and name h3) (resid 104 and name h1) 5.0 2.0 1.0
assign (resid 104 and name h1) (resid 128 and name h1) 5.0 2.0 1.0
assign (resid 128 and name h1) (resid 127 and name h3) 4.0 1.5 1.0
assign (resid 107 and name h1) (resid 125 and name h3) 4.0 1.5 1.0
assign (resid 125 and name h3) (resid 109 and name h3) 4.0 1.5 1.0
assign (resid 109 and name h3) (resid 123 and name h3) 4.0 1.5 1.0
assign (resid 123 and name h3) (resid 122 and name h3) 4.0 1.5 1.0
assign (resid 122 and name h3) (resid 121 and name h3) 4.0 1.5 1.0
assign (resid 121 and name h3) (resid 120 and name h1) 4.0 1.5 1.0
assign (resid 120 and name h1) (resid 119 and name h3) 5.0 2.0 1.0

assign (resid 107 and name h1) (resid 126 and name hn'') 2.5 0.7 0.01
assign (resid 107 and name h1) (resid 126 and name hn') 4.0 1.5 1.0
assign (resid 128 and name h1) (resid 105 and name hn'') 2.5 0.7 0.01
assign (resid 128 and name h1) (resid 105 and name hn') 4.0 1.5 1.0
assign (resid 104 and name h1) (resid 129 and name hn'') 2.5 0.7 0.01
assign (resid 104 and name h1) (resid 129 and name hn') 4.0 1.5 1.0
assign (resid 120 and name h1) (resid 113 and name hn'') 2.5 0.7 0.01
assign (resid 120 and name h1) (resid 113 and name hn') 4.0 1.5 1.0
assign (resid 124 and name h2) (resid 123 and name h3) 4.0 1.5 1.0
assign (resid 123 and name h3) (resid 110 and name h2) 2.7 0.4 0.3
assign (resid 123 and name h3) (resid 111 and name h2) 4.0 1.5 1.0
assign (resid 110 and name h2) (resid 122 and name h3) 4.0 1.5 1.0
assign (resid 111 and name h2) (resid 122 and name h3) 2.7 0.4 0.3
assign (resid 122 and name h3) (resid 112 and name h2) 3.0 0.7 1.0
assign (resid 127 and name h3) (resid 106 and name h2) 2.7 0.4 0.3
assign (resid 121 and name h3) (resid 112 and name h2) 2.7 0.4 0.3
assign (resid 103 and name h3) (resid 130 and name h2) 2.7 0.4 0.3
assign (resid 102 and name h3) (resid 131 and name h2) 2.7 0.4 0.3
assign (resid 109 and name h3) (resid 124 and name h2) 2.7 0.4 0.3
assign (resid 119 and named h3) (resid 114 and name h2) 2.7 0.4 0.3
assign (resid 125 and name h3) (resid 108 and name h2) 2.7 0.4 0.3
assign (resid 109 and name h3) (resid 108 and name h2) 3.0 0.7 1.0
assign (resid 125 and name h3) (resid 124 and name h2) 3.0 0.7 1.0
assign (resid 109 and name h3) (resid 110 and name h2) 3.0 0.7 1.0
assign (resid 107 and name h1) (resid 106 and name h2) 3.0 0.7 1.0
assign (resid 107 and name h1) (resid 108 and name h2) 3.0 0.7 0.5
assign (resid 128 and name h1) (resid 106 and name h2) 3.0 0.7 1.0
assign (resid 104 and name h1) (resid 130 and name h2) 4.0 1.5 1.0
assign (resid 120 and name h1) (resid 112 and name h2) 3.0 0.7 1.0
assign (resid 120 and name h1) (resid 114 and name h2) 3.0 0.7 1.0


!interresidue-intrastrand

assign (resid 101 and name h1') (resid 102 and name h6) 3.0 0.7 0.5
assign (resid 101 and name h2') (resid 102 and name h6) 3.0 0.7 0.5
assign (resid 101 and name h2'') (resid 102 and name h6) 2.5 0.7 0.01
assign (resid 101 and name h1') (resid 102 and name h5#) 3.0 0.7 2.0
assign (resid 101 and name h2') (resid 102 and name h5#) 2.5 0.7 1.5
assign (resid 101 and name h2'') (resid 102 and name h5#) 2.5 0.7 1.5
assign (resid 101 and name h3') (resid 102 and name h5#) 3.0 0.7 2.5
assign (resid 101 and name h8) (resid 102 and name h5#) 3.0 0.7 1.5

assign (resid 102 and name h1') (resid 103 and name h6) 3.0 0.7 0.5
assign (resid 102 and name h3') (resid 103 and name h6) 4.0 1.5 1.0
assign (resid 102 and name h1') (resid 103 and name h5#) 3.0 0.7 2.0
assign (resid 102 and name h2') (resid 103 and name h5#) 3.0 0.7 2.0
assign (resid 102 and name h2'') (resid 103 and name h5#) 3.0 0.7 2.0
assign (resid 102 and name h6) (resid 103 and name h5#) 3.0 0.7 2.0
assign (resid 102 and name h5#) (resid 103 and name h5#) 3.0 0.7 2.0

assign (resid 103 and name h1') (resid 104 and name h8) 4.0 1.5 1.0
assign (resid 103 and name h2') (resid 104 and name h8) 4.0 1.5 1.0
assign (resid 103 and name h2'') (resid 104 and name h8) 2.5 0.7 0.01
assign (resid 103 and name h3') (resid 104 and name h8) 4.0 1.5 1.0
assign (resid 103 and name h6) (resid 104 and name h8) 4.0 1.5 1.0

assign (resid 104 and name h1') (resid 105 and name h6) 3.0 0.7 0.5
assign (resid 104 and name h2') (resid 105 and name h6) 4.0 1.5 1.0
assign (resid 104 and name h2'') (resid 105 and name h6) 4.0 2.2 1.0
assign (resid 104 and name h1') (resid 105 and name h5) 4.0 1.5 1.0
assign (resid 104 and name h8) (resid 105 and name h5) 3.0 0.7 0.5
assign (resid 104 and name h8) (resid 105 and name h6) 4.0 1.5 1.0

assign (resid 105 and name h1') (resid 106 and name h8) 3.0 0.7 0.5
assign (resid 105 and name h2') (resid 106 and name h8) 4.0 1.5 1.0
assign (resid 105 and name h2'') (resid 106 and name h8) 2.5 0.7 0.01

assign (resid 106 and name h1') (resid 107 and name h8) 3.0 0.7 0.5
assign (resid 106 and name h2') (resid 107 and name h8) 3.0 0.7 0.5
assign (resid 106 and name h2'') (resid 107 and name h8) 3.0 1.2 0.5
assign (resid 106 and name h3') (resid 107 and name h8) 4.0 2.2 1.0
assign (resid 106 and name h8) (resid 107 and name h8) 3.0 0.7 1.0

assign (resid 107 and name h1') (resid 108 and name h8) 3.0 0.7 0.5
assign (resid 107 and name h8) (resid 108 and name h8) 4.0 1.5 1.0

assign (resid 108 and name h1') (resid 109 and name h6) 3.0 0.7 0.5
assign (resid 108 and name h3') (resid 109 and name h6) 5.0 2.0 1.0
assign (resid 108 and name h1') (resid 109 and name h5#) 3.0 0.7 2.0
assign (resid 108 and name h2') (resid 109 and name h5#) 3.0 0.7 2.0
assign (resid 108 and name h2'') (resid 109 and name h5#) 3.0 0.7 2.0
assign (resid 108 and name h3') (resid 109 and name h5#) 4.0 1.5 3.5
assign (resid 108 and name h8) (resid 109 and name h5#) 2.5 0.7 1.5
assign (resid 108 and name h2) (resid 109 and name h1') 4.0 1.5 1.0

assign (resid 109 and name h1') (resid 110 and name h8) 4.0 1.5 1.0
assign (resid 109 and name h2') (resid 110 and name h8) 4.0 1.5 1.0
assign (resid 109 and name h2'') (resid 110 and name h8) 2.5 0.7 0.01
assign (resid 109 and name h6) (resid 110 and name h8) 4.0 1.5 1.0

assign (resid 110 and name h1') (resid 111 and name h8) 3.0 0.7 0.5
assign (resid 110 and name h2) (resid 111 and name h2) 3.0 0.7 0.5

assign (resid 111 and name h1') (resid 112 and name h8) 4.0 1.5 1.0
assign (resid 111 and name h2') (resid 112 and name h8) 3.0 0.7 0.5
assign (resid 111 and name h2'') (resid 112 and name h8) 3.0 0.7 0.5
assign (resid 111 and name h8) (resid 112 and name h8) 4.0 1.5 1.0
assign (resid 111 and name h2) (resid 112 and name h2) 3.0 0.7 0.5

assign (resid 112 and name h1') (resid 113 and name h6) 3.0 0.7 0.5
assign (resid 112 and name h3') (resid 113 and name h6) 4.0 1.5 1.0
assign (resid 112 and name h1') (resid 113 and name h5) 4.0 1.5 1.0
assign (resid 112 and name h2') (resid 113 and name h5) 3.0 0.7 0.5
assign (resid 112 and name h2'') (resid 113 and name h5) 2.5 0.7 0.01
assign (resid 112 and name h8) (resid 113 and name h5) 3.0 0.7 0.5

assign (resid 113 and name h1') (resid 114 and name h8) 3.0 0.7 0.5

assign (resid 114 and name h1') (resid 115 and name h6) 3.0 0.7 0.5
assign (resid 114 and name h1') (resid 115 and name h5#) 4.0 1.5 2.5
assign (resid 114 and name h2') (resid 115 and name h5#) 4.0 1.5 2.5
assign (resid 114 and name h2'') (resid 115 and name h5#) 3.0 0.7 2.0
assign (resid 114 and name h3') (resid 115 and name h5#) 3.0 0.7 2.0
assign (resid 114 and name h8) (resid 115 and name h5#) 2.5 0.7 1.5
assign (resid 114 and name h2) (resid 115 and name h1') 5.0 2.0 1.0
assign (resid 114 and name h8) (resid 115 and name h6) 4.0 1.5 1.0

assign (resid 115 and name h1') (resid 116 and name h6) 4.0 1.5 1.0
assign (resid 115 and name h3') (resid 116 and name h6) 4.0 1.5 1.0
assign (resid 115 and name h1') (resid 116 and name h5#) 4.0 1.5 2.5
assign (resid 115 and name h2') (resid 116 and name h5#) 4.0 1.5 2.5
assign (resid 115 and name h2'') (resid 116 and name h5#) 4.0 1.5 2.5
assign (resid 115 and name h3') (resid 116 and name h5#) 4.0 1.5 2.5
assign (resid 115 and name h6) (resid 116 and name h5#) 3.0 0.7 2.5
assign (resid 115 and name h6) (resid 116 and name h6) 4.0 1.5 1.0
assign (resid 115 and name h5#) (resid 116 and name h5#) 3.0 0.7 2.0

assign (resid 117 and name h1') (resid 118 and name h8) 4.0 1.5 1.0
assign (resid 117 and name h2') (resid 118 and name h8) 3.0 0.7 0.5
assign (resid 117 and name h2'') (resid 118 and name h8) 2.5 0.7 0.01
assign (resid 117 and name h3') (resid 118 and name h8) 4.0 1.5 1.0
assign (resid 117 and name h2) (resid 118 and name h2) 4.0 1.5 1.0

assign (resid 118 and name h1') (resid 119 and name h6) 3.0 0.7 0.5
assign (resid 118 and name h2') (resid 119 and name h6) 4.0 1.5 1.0
assign (resid 118 and name h2'') (resid 119 and name h6) 2.5 0.7 0.01
assign (resid 118 and name h3') (resid 119 and name h6) 5.0 2.0 1.0
assign (resid 118 and name h1') (resid 119 and name h5#) 3.0 0.7 2.0
assign (resid 118 and name h2') (resid 119 and name h5#) 2.5 0.7 1.5
assign (resid 118 and name h2'') (resid 119 and name h5#) 3.0 0.7 2.0
assign (resid 118 and name h3') (resid 119 and name h5#) 4.0 1.5 2.5
assign (resid 118 and name h8) (resid 119 and name h5#) 2.5 0.7 1.5
assign (resid 118 and name h2) (resid 119 and name h1') 5.0 2.0 1.0
assign (resid 118 and name h8) (resid 119 and name h6) 4.0 1.5 1.0

assign (resid 119 and name h1') (resid 120 and name h8) 3.0 0.7 0.5
assign (resid 119 and name h2') (resid 120 and name h8) 4.0 1.5 1.0
assign (resid 119 and name h2'') (resid 120 and name h8) 3.0 0.7 0.5
assign (resid 119 and name h3') (resid 120 and name h8) 5.0 2.0 1.0
assign (resid 119 and name h6) (resid 120 and name h8) 4.0 1.5 1.0

assign (resid 120 and name h1') (resid 121 and name h6) 3.0 0.7 0.5
assign (resid 120 and name h2') (resid 121 and name h6) 4.0 1.5 1.0
assign (resid 120 and name h2'') (resid 121 and name h6) 3.0 0.7 0.5
assign (resid 120 and name h3') (resid 121 and name h6) 4.0 1.5 1.0
assign (resid 120 and name h1') (resid 121 and name h5#) 3.0 0.7 2.0
assign (resid 120 and name h2') (resid 121 and name h5#) 3.0 0.7 2.0
assign (resid 120 and name h2'') (resid 121 and name h5#) 2.5 0.7 1.5
assign (resid 120 and name h3') (resid 121 and name h5#) 4.0 1.5 2.5
assign (resid 120 and name h8) (resid 121 and name h5#) 2.5 0.7 1.5
assign (resid 120 and name h8) (resid 121 and name h6) 3.0 0.7 1.0

assign (resid 121 and name h1') (resid 122 and name h6) 4.0 1.5 1.0
assign (resid 121 and name h3') (resid 122 and name h6) 5.0 2.0 1.0
assign (resid 121 and name h1') (resid 122 and name h5#) 4.0 1.5 2.5
assign (resid 121 and name h2') (resid 122 and name h5#) 4.0 1.5 2.5
assign (resid 121 and name h2'') (resid 122 and name h5#) 4.0 1.5 2.5
assign (resid 121 and name h6) (resid 122 and name h5#) 3.0 0.7 2.0
assign (resid 121 and name h5#) (resid 122 and name h5#) 3.0 0.7 2.0

assign (resid 122 and name h1') (resid 123 and name h6) 5.0 2.0 1.0
assign (resid 122 and name h1') (resid 123 and name h5#) 5.0 2.2 2.5
assign (resid 122 and name h2') (resid 123 and name h5#) 5.0 2.2 2.5
assign (resid 122 and name h2'') (resid 123 and name h5#) 4.0 1.5 2.5
assign (resid 122 and name h3') (resid 123 and name h5#) 5.0 2.2 2.5
assign (resid 122 and name h6) (resid 123 and name h5#) 4.0 1.5 2.5

assign (resid 123 and name h1') (resid 124 and name h8) 3.0 0.7 0.5

assign (resid 124 and name h1') (resid 125 and name h6) 3.0 0.7 0.5
assign (resid 124 and name h2'') (resid 125 and name h6) 4.0 2.2 1.0
assign (resid 124 and name h3') (resid 125 and name h6) 4.0 1.2 1.0
assign (resid 124 and name h1') (resid 125 and name h5#) 4.0 1.2 2.5
assign (resid 124 and name h2') (resid 125 and name h5#) 4.0 1.2 2.5
assign (resid 124 and name h2'') (resid 125 and name h5#) 3.0 0.5 2.0
assign (resid 124 and name h3') (resid 125 and name h5#) 4.0 1.2 2.5
assign (resid 124 and name h8) (resid 125 and name h5#) 2.5 0.7 1.5
assign (resid 124 and name h8) (resid 125 and name h6) 4.0 1.5 1.0
assign (resid 124 and name h2) (resid 125 and name h1') 4.0 1.5 1.0

assign (resid 125 and name h1') (resid 126 and name h6) 3.0 0.7 0.5
assign (resid 125 and name h3') (resid 126 and name h6) 5.0 2.0 1.0
assign (resid 125 and name h6) (resid 126 and name h5) 3.0 0.7 1.0

assign (resid 126 and name h1') (resid 127 and name h6) 4.0 1.5 1.0
assign (resid 126 and name h2'') (resid 127 and name h6) 3.0 0.7 0.5
assign (resid 126 and name h3') (resid 127 and name h6) 3.0 0.7 1.0
assign (resid 126 and name h1') (resid 127 and name h5#) 4.0 1.5 2.5
assign (resid 126 and name h2') (resid 127 and name h5#) 4.0 1.5 2.5
assign (resid 126 and name h2'') (resid 127 and name h5#) 3.0 0.7 2.5
assign (resid 126 and name h3') (resid 127 and name h5#) 3.0 0.5 2.5
assign (resid 126 and name h6) (resid 127 and name h5#) 2.5 0.7 1.5
assign (resid 126 and name h5) (resid 127 and name h5#) 2.5 0.7 1.5

assign (resid 127 and name h1') (resid 128 and name h8) 4.0 1.5 1.0
assign (resid 127 and name h2') (resid 128 and name h8) 3.0 0.7 0.5
assign (resid 127 and name h2'') (resid 128 and name h8) 3.0 0.7 0.5

assign (resid 128 and name h1') (resid 129 and name h6) 4.0 1.5 1.0
assign (resid 128 and name h2') (resid 129 and name h6) 4.0 1.5 1.0
assign (resid 128 and name h2'') (resid 129 and name h6) 3.0 0.7 0.5
assign (resid 128 and name h3') (resid 129 and name h6) 3.0 0.7 1.0
assign (resid 128 and name h1') (resid 129 and name h5) 5.0 2.0 1.0
assign (resid 128 and name h8) (resid 129 and name h5) 3.0 0.7 1.0

assign (resid 129 and name h1') (resid 130 and name h8) 3.0 0.7 0.5

assign (resid 130 and name h1') (resid 131 and name h8) 3.0 0.7 0.5
assign (resid 130 and name h2') (resid 131 and name h8) 4.0 1.5 1.0
assign (resid 130 and name h2'') (resid 131 and name h8) 2.5 0.7 0.01
assign (resid 130 and name h3') (resid 131 and name h8) 4.0 1.5 1.0

assign (resid 131 and name h1') (resid 132 and name h6) 3.0 0.7 0.5
assign (resid 131 and name h2') (resid 132 and name h6) 4.0 1.5 1.0
assign (resid 131 and name h2'') (resid 132 and name h6) 3.0 0.7 0.5
assign (resid 131 and name h3') (resid 132 and name h6) 4.0 1.5 1.0
assign (resid 131 and name h1') (resid 132 and name h5) 4.0 1.5 1.0
assign (resid 131 and name h8) (resid 132 and name h5) 3.0 0.7 1.0
assign (resid 131 and name h8) (resid 132 and name h6) 4.0 1.5 1.0


3. DNA hbonds

!****GC base pairs
!BP 1
assign (resid 101 and name n1) (resid 132 and name n3) 2.95 .2 .2
assign (resid 101 and name o6) (resid 132 and name n4) 2.91 .2 .2
assign (resid 101 and name n2) (resid 132 and name o2) 2.86 .2 .2
!BP 4
assign (resid 104 and name n1) (resid 129 and name n3) 2.95 .2 .2
assign (resid 104 and name o6) (resid 129 and name n4) 2.91 .2 .2
assign (resid 104 and name n2) (resid 129 and name o2) 2.86 .2 .2
!BP 7
assign (resid 107 and name n1) (resid 126 and name n3) 2.95 .2 .2
assign (resid 107 and name o6) (resid 126 and name n4) 2.91 .2 .2
assign (resid 107 and name n2) (resid 126 and name o2) 2.86 .2 .2


!****CG base pairs
!BP 5
assign (resid 105 and name n3) (resid 128 and name n1) 2.95 .2 .2
assign (resid 105 and name n4) (resid 128 and name o6) 2.91 .2 .2
assign (resid 105 and name o2) (resid 128 and name n2) 2.86 .2 .2
!BP 13
assign (resid 113 and name n3) (resid 120 and name n1) 2.95 .2 .2
assign (resid 113 and name n4) (resid 120 and name o6) 2.91 .2 .2
assign (resid 113 and name o2) (resid 120 and name n2) 2.86 .2 .2



!***AT base pairs
!BP 6
assign (resid 106 and name n1) (resid 127 and name n3) 2.82 .2 .2
assign (resid 106 and name n6) (resid 127 and name o4) 2.95 .2 .2

!BP 8
assign (resid 108 and name n1) (resid 125 and name n3) 2.82 .2 .2
assign (resid 108 and name n6) (resid 125 and name o4) 2.95 .2 .2
 
!BP 10
assign (resid 110 and name n1) (resid 123 and name n3) 2.82 .2 .2
assign (resid 110 and name n6) (resid 123 and name o4) 2.95 .2 .2

!BP 11
assign (resid 111 and name n1) (resid 122 and name n3) 2.82 .2 .2
assign (resid 111 and name n6) (resid 122 and name o4) 2.95 .2 .2

!BP 12
assign (resid 112 and name n1) (resid 121 and name n3) 2.82 .2 .2
assign (resid 112 and name n6) (resid 121 and name o4) 2.95 .2 .2

!BP 14
assign (resid 114 and name n1) (resid 119 and name n3) 2.82 .2 .2
assign (resid 114 and name n6) (resid 119 and name o4) 2.95 .2 .2



!****TA base pairs
!BP 2
assign (resid 102 and name n3) (resid 131 and name n1) 2.82 .2 .2
assign (resid 102 and name o4) (resid 131 and name n6) 2.95 .2 .2

!BP 3
assign (resid 103 and name n3) (resid 130 and name n1) 2.82 .2 .2
assign (resid 103 and name o4) (resid 130 and name n6) 2.95 .2 .2

!BP 9
assign (resid 109 and name n3) (resid 124 and name n1) 2.82 .2 .2
assign (resid 109 and name o4) (resid 124 and name n6) 2.95 .2 .2

!BP 15
assign (resid 115 and name n3) (resid 118 and name n1) 2.82 .2 .2
assign (resid 115 and name o4) (resid 118 and name n6) 2.95 .2 .2

!BP 16
assign (resid 116 and name n3) (resid 117 and name n1) 2.82 .2 .2
assign (resid 116 and name o4) (resid 117 and name n6) 2.95 .2 .2




4.  NOEs within the protein
!K1
!R2
assign (resid 2 and name HN) (resid 2 and name HA) 4.0 2.2 1.0
assign (resid 2 and name HN) (resid 2 and name HB#) 3.0 1.8 1.1 !#
assign (resid 2 and name HN) (resid 2 and name HG#) 4.0 3.2 2.0 !#
assign (resid 2 and name HN) (resid 2 and name HD#) 4.0 2.8 3.0 !#
assign (resid 2 and name HA) (resid 2 and name HB#) 2.5 1.7 1.2 !#
assign (resid 2 and name HA) (resid 2 and name HG#) 2.5 1.3 0.8 !#
assign (resid 2 and name HA) (resid 2 and name HD#) 2.5 1.7 1.2 !#
assign (resid 2 and name HA) (resid 3 and name HN) 3.0 1.2 0.5
assign (resid 2 and name HB#) (resid 3 and name HN) 4.0 3.2 2.0 !
assign (resid 2 and name HB#) (resid 5 and name HG2#) 4.0 2.2 4.0
assign (resid 2 and name HB#) (resid 5 and name HB) 4.0 2.2 2.0
assign (resid 2 and name HG#) (resid 5 and name HB) 4.0 2.2 2.0
assign (resid 2 and name HB#) (resid 18 and name HD1) 4.0 2.2 1.0
assign (resid 2 and name HG#) (resid 18 and name HD1) 4.0 1.8 2.0
!A3
assign (resid 3 and name HN) (resid 3 and name HA) 4.0 2.2 1.0
assign (resid 3 and name HN) (resid 3 and name HB#) 2.5 1.8 1.5 !#
assign (resid 3 and name HA) (resid 3 and name HB#) 2.5 2.2 1.7 !#
assign (resid 3 and name HN) (resid 4 and name HN) 4.0 2.2 1.0
assign (resid 3 and name ha) (resid 4 and name hn) 3.0 1.2 0.5
assign (resid 3 and name HB#) (resid 4 and name HN) 4.0 3.7 2.5 !
assign (resid 3 and name HB#) (resid 4 and name HA#) 4.0 4.7 3.5 ! !#
assign (resid 3 and name HA) (resid 5 and name HN) 4.0 2.2 1.0
!G4
assign (resid 4 and name HN) (resid 4 and name HA#) 4.0 2.8 1.6 !#
assign (resid 4 and name HA#) (resid 5 and name HN) 4.0 3.2 2.0 !
assign (resid 4 and name HA#) (resid 5 and name HB) 4.0 3.2 2.0 !
assign (resid 4 and name HA#) (resid 5 and name HG2#) 4.0 4.7 3.5 ! !#
assign (resid 4 and name hn) (resid 6 and name hg*) 4.0 2.2 4.0
!T5
assign (resid 5 and name HN) (resid 5 and name HA) 2.5 0.7 0.4
assign (resid 5 and name HN) (resid 5 and name HB) 2.5 0.7 0.4
assign (resid 5 and name HN) (resid 5 and name HG2#) 3.0 2.7 2.0 !#
assign (resid 5 and name HA) (resid 5 and name HB) 2.5 0.7 0.2
assign (resid 5 and name HA) (resid 5 and name HG2#) 2.5 1.8 1.3 !#
assign (resid 5 and name HN) (resid 6 and name HN) 4.0 2.2 1.0
assign (resid 5 and name HN) (resid 6 and name hg*) 4.0 2.2 4.0
assign (resid 5 and name HA) (resid 6 and name HN) 2.5 0.7 0.4
assign (resid 5 and name HA) (resid 6 and name hg*) 3.0 1.2 3.3
assign (resid 5 and name HA) (resid 26 and name HB#) 3.0 2.2 1.3 !#
assign (resid 5 and name HA) (resid 26 and name HG#) 4.0 3.2 2.0 !#
assign (resid 5 and name HB) (resid 6 and name HN) 4.0 1.8 2.0
assign (resid 5 and name HB) (resid 6 and name hg*) 4.0 4.2 4.4 !#
assign (resid 5 and name HB) (resid 13 and name HA) 4.0 2.2 1.0
assign (resid 5 and name HB) (resid 18 and name HZ2) 4.0 2.2 1.0
assign (resid 5 and name HB) (resid 18 and name HH2) 4.0 2.2 1.0
assign (resid 5 and name HB) (resid 26 and name HB#) 4.0 2.8 3.0 !#
assign (resid 5 and name HG2#) (resid 6 and name HN) 2.5 2.2 1.9 !
assign (resid 5 and name HG2#) (resid 6 and name hg*) 2.5 4.6 4.1 ! !#
assign (resid 5 and name HG2#) (resid 7 and name HA) 4.0 1.8 4.5 
assign (resid 5 and name HG2#) (resid 7 and name HN) 4.0 3.3 3.5 !
assign (resid 5 and name HG2#) (resid 13 and name HA) 4.0 3.7 2.5 !
assign (resid 5 and name HG2#) (resid 15 and name HG2#) 4.0 2.2 4.0 ! !#
assign (resid 5 and name HG2#) (resid 18 and name HD1) 4.0 3.7 2.5 !
assign (resid 5 and name HG2#) (resid 18 and name HZ2) 3.0 2.7 1.8 !
assign (resid 5 and name HG2#) (resid 18 and name HH2) 3.0 2.7 1.8 !
assign (resid 5 and name HG2#) (resid 18 and name HZ3) 4.0 3.7 2.5 !
assign (resid 5 and name HG2#) (resid 18 and name HE1) 4.0 3.7 2.5 !
assign (resid 5 and name HG2#) (resid 26 and name HB#) 2.5 3.2 2.7 ! !#
assign (resid 5 and name HG2#) (resid 26 and name HD#) 4.0 4.3 4.5 ! !#
assign (resid 5 and name HG2#) (resid 26 and name HG#) 2.5 3.2 2.7 ! !#
assign (resid 5 and name HG2#) (resid 26 and name HA) 3.0 2.7 1.8 !
assign (resid 5 and name HG2#) (resid 27 and name HA) 4.0 3.7 2.5 !
!V6
assign (resid 6 and name HN) (resid 6 and name HA) 4.0 1.8 2.0
assign (resid 6 and name HN) (resid 6 and name HB) 4.0 2.2 1.0
assign (resid 6 and name HN) (resid 6 and name hg*) 2.5 2.4 2.1 !#
assign (resid 6 and name HA) (resid 6 and name HB) 3.0 1.2 0.3
assign (resid 6 and name HA) (resid 6 and name hg*) 2.5 1.3 0.8 !#

assign (resid 6 and name HN) (resid 7 and name HN) 4.0 1.8 2.0 
assign (resid 6 and name HA) (resid 7 and name HN) 4.0 1.8 2.0
assign (resid 6 and name HA) (resid 11 and name HA) 4.0 2.2 1.0
assign (resid 6 and name HA) (resid 13 and name HA) 3.0 1.2 0.3
assign (resid 6 and name HA) (resid 13 and name HB#) 3.0 2.2 1.3 !#
assign (resid 6 and name HA) (resid 18 and name HH2) 4.0 2.2 1.0
assign (resid 6 and name HA) (resid 18 and name HZ2) 4.0 2.2 1.0

assign (resid 6 and name HB) (resid 7 and name HN) 4.0 2.2 1.0
assign (resid 6 and name HB) (resid 11 and name HN) 4.0 2.2 2.0
assign (resid 6 and name HB) (resid 11 and name HA) 4.0 2.2 1.0
assign (resid 6 and name HB) (resid 11 and name HB#) 4.0 3.2 2.0 !#
assign (resid 6 and name HB) (resid 12 and name HN) 4.0 1.8 2.0
assign (resid 6 and name HB) (resid 13 and name HA) 4.0 2.2 1.0
assign (resid 6 and name HB) (resid 18 and name HH2) 4.0 1.8 2.0
assign (resid 6 and name hg*) (resid 7 and name HN) 3.0 3.6 2.9 !
assign (resid 6 and name hg*) (resid 11 and name HN) 4.0 4.6 3.4 !
assign (resid 6 and name hg*) (resid 11 and name HA) 4.0 4.6 3.4 !
assign (resid 6 and name hg*) (resid 11 and name HB#) 3.0 4.6 3.7 ! !#
assign (resid 6 and name hg*) (resid 11 and name HG#) 3.0 4.6 3.7 ! !#
assign (resid 6 and name hg*) (resid 12 and name HN) 4.0 4.2 4.4 !
assign (resid 6 and name hg*) (resid 12 and name HA) 4.0 4.6 3.4 !
assign (resid 6 and name hg*) (resid 13 and name HN) 4.0 4.2 4.4 !
assign (resid 6 and name hg*) (resid 13 and name HA) 3.0 3.6 2.7 !
assign (resid 6 and name hg*) (resid 13 and name HB#) 2.5 4.1 3.6 ! !#
assign (resid 6 and name hg*) (resid 18 and name HH2) 4.0 4.2 4.4 !
assign (resid 6 and name hg*) (resid 18 and name HZ2) 4.0 4.2 4.4 !

!C7
assign (resid 7 and name HN) (resid 7 and name HA) 4.0 2.2 1.0
assign (resid 7 and name HN) (resid 7 and name HB1) 3.0 1.2 1.5 !#
assign (resid 7 and name HN) (resid 7 and name HB2) 3.0 1.2 0.5 !#
assign (resid 7 and name HA) (resid 7 and name HB2) 2.5 0.7 1.2 !#
assign (resid 7 and name HA) (resid 7 and name HB1) 4.0 2.2 1.0 !#

assign (resid 7 and name HN) (resid 11 and name HN) 4.0 1.8 2.0
assign (resid 7 and name HN) (resid 12 and name HN) 4.0 1.8 2.0
assign (resid 7 and name HN) (resid 12 and name HG2#) 3.0 2.7 2.0 !#
assign (resid 7 and name HN) (resid 13 and name HA) 4.0 1.8 2.0
assign (resid 7 and name HN) (resid 18 and name HZ3) 4.0 1.8 2.0
assign (resid 7 and name HN) (resid 18 and name HH2) 4.0 2.2 1.0
assign (resid 7 and name HN) (resid 28 and name HN) 4.0 1.8 2.0
assign (resid 7 and name HA) (resid 8 and name HN) 3.0 1.2 0.5
assign (resid 7 and name HA) (resid 10 and name HN) 4.0 2.2 1.0
assign (resid 7 and name HA) (resid 18 and name HH2) 4.0 2.2 1.0
assign (resid 7 and name HA) (resid 18 and name HZ3) 3.0 1.2 0.3
assign (resid 7 and name HA) (resid 26 and name HG#) 4.0 1.8 3.0
assign (resid 7 and name HA) (resid 27 and name HN) 4.0 2.2 1.0
assign (resid 7 and name HA) (resid 27 and name HA) 3.0 1.2 0.3
assign (resid 7 and name HA) (resid 27 and name HG1#) 4.0 3.7 2.5 !#
assign (resid 7 and name HB1) (resid 8 and name HN) 4.0 2.2 1.0 !
assign (resid 7 and name HB2) (resid 8 and name HN) 4.0 2.2 1.0 !
assign (resid 7 and name HB1) (resid 11 and name HN) 4.0 2.2 2.0 !
assign (resid 7 and name HB2) (resid 11 and name HN) 4.0 2.2 2.0 !
assign (resid 7 and name HB1) (resid 12 and name HN) 4.0 2.2 1.0 !
assign (resid 7 and name HB2) (resid 12 and name HN) 4.0 2.2 1.0
assign (resid 7 and name HB1) (resid 12 and name HG2#) 4.0 2.2 2.5 ! !#
assign (resid 7 and name HB1) (resid 12 and name HG2#) 4.0 2.2 2.5 ! !#
assign (resid 7 and name HB1) (resid 18 and name HZ3) 4.0 3.2 1.0 !
assign (resid 7 and name HB2) (resid 18 and name HZ3) 4.0 3.2 1.0 !
assign (resid 7 and name HB1) (resid 18 and name HH2) 4.0 3.2 1.0 !
assign (resid 7 and name HB2) (resid 18 and name HH2) 4.0 3.2 1.0 !
assign (resid 7 and name HB1) (resid 27 and name HA) 4.0 3.2 1.0 !
assign (resid 7 and name HB2) (resid 27 and name HA) 4.0 3.2 1.0 !
assign (resid 7 and name HB1) (resid 28 and name HN) 4.0 2.2 1.0 ! !#
assign (resid 7 and name HB2) (resid 28 and name HN) 4.0 2.2 1.0 ! !#

!S8
assign (resid 8 and name HN) (resid 8 and name HA) 3.0 1.2 0.5
assign (resid 8 and name HN) (resid 8 and name HB2) 3.0 1.2 0.5
assign (resid 8 and name HN) (resid 8 and name HB1) 4.0 2.2 1.0
assign (resid 8 and name HA) (resid 8 and name HB1) 2.5 0.7 0.2
assign (resid 8 and name HA) (resid 8 and name HB2) 4.0 2.2 1.0
assign (resid 8 and name HN) (resid 18 and name HZ3) 4.0 2.2 1.0 
assign (resid 8 and name HN) (resid 26 and name hg#) 4.0 2.2 2.0
assign (resid 8 and name HN) (resid 26 and name hd#) 4.0 2.2 2.0
assign (resid 8 and name HN) (resid 27 and name HA) 4.0 2.2 1.0
assign (resid 8 and name HN) (resid 27 and name HB) 4.0 1.8 2.0
assign (resid 8 and name HN) (resid 27 and name HG1#) 3.0 2.7 2.0 !#
assign (resid 8 and name HA) (resid 9 and name HN) 4.0 2.2 1.0
assign (resid 8 and name HA) (resid 25 and name HB#) 4.0 2.2 2.0
assign (resid 8 and name HA) (resid 27 and name HG1#) 4.0 2.2 3.5

assign (resid 8 and name hn) (resid 26 and name hd#) 4.0 2.2 2.0
assign (resid 8 and name HB2) (resid 25 and name HA) 4.0 2.2 2.0
assign (resid 8 and name HB2) (resid 25 and name HB1) 3.0 1.2 0.3 
assign (resid 8 and name HB2) (resid 25 and name HB2) 4.0 2.2 1.0
assign (resid 8 and name HB1) (resid 25 and name HB1) 4.0 2.2 1.0 
assign (resid 8 and name HB1) (resid 25 and name HB2) 4.0 2.2 2.0
assign (resid 8 and name hb#) (resid 26 and name ha) 4.0 2.2 3.0
assign (resid 8 and name HB2) (resid 27 and name HA) 4.0 1.8 2.0

!N9
assign (resid 9 and name HN) (resid 9 and name HA) 3.0 1.2 0.5
assign (resid 9 and name HN) (resid 9 and name HB1) 4.0 2.2 1.0 !#
assign (resid 9 and name HN) (resid 9 and name HB2) 2.5 1.3 0.4 !#
assign (resid 9 and name HN) (resid 10 and name HN) 2.5 0.7 0.4
assign (resid 9 and name HN) (resid 11 and name HN) 4.0 2.2 1.0
assign (resid 9 and name HN) (resid 27 and name HA) 4.0 2.2 1.0
assign (resid 9 and name HN) (resid 27 and name HG1#) 3.0 2.7 2.0 !#

assign (resid 9 and name hn) (resid 25 and name hb#) 4.0 2.2 3.0
assign (resid 9 and name HA) (resid 10 and name HN) 4.0 1.8 2.0
assign (resid 9 and name HA) (resid 27 and name HG1#) 4.0 3.7 2.5 !#
assign (resid 9 and name HB1) (resid 10 and name HN) 4.0 2.2 1.0
assign (resid 9 and name HB2) (resid 10 and name HN) 4.0 2.2 1.0
assign (resid 9 and name hb1) (resid 27 and name hb) 4.0 2.2 2.0
assign (resid 9 and name hb2) (resid 27 and name hb) 4.0 2.2 1.0
assign (resid 9 and name HB2) (resid 27 and name HG1#) 3.0 1.2 1.8
assign (resid 9 and name HB1) (resid 27 and name HG1#) 4.0 2.2 2.5 ! !#
assign (resid 9 and name HB2) (resid 27 and name HG2#) 4.0 2.2 2.5 ! !#

!C10
assign (resid 10 and name HN) (resid 10 and name HA) 4.0 2.2 1.0
assign (resid 10 and name HN) (resid 10 and name HB1) 3.0 1.2 0.5 !#
assign (resid 10 and name HN) (resid 10 and name HB2) 4.0 2.2 1.0 !#
assign (resid 10 and name HA) (resid 10 and name HB1) 2.5 0.7 0.2 !#
assign (resid 10 and name HA) (resid 10 and name HB2) 2.5 0.7 0.2 !#

assign (resid 10 and name hn) (resid 11 and name hn) 3.0 1.2 0.5
assign (resid 10 and name HA) (resid 27 and name HG1#) 4.0 2.2 3.5
assign (resid 10 and name HA) (resid 44 and name HA) 4.0 1.8 2.0
assign (resid 10 and name HA) (resid 44 and name hg) 4.0 2.2 1.0
assign (resid 10 and name HA) (resid 44 and name hd*) 3.0 3.6 2.7 !#
assign (resid 10 and name ha) (resid 47 and name hd#) 4.0 2.2 2.0


assign (resid 10 and name HB1) (resid 11 and name HN) 4.0 2.8 1.0 !
assign (resid 10 and name HB2) (resid 11 and name HN) 4.0 2.8 1.0 !
assign (resid 10 and name HB1) (resid 12 and name HN) 4.0 2.8 2.0 !
assign (resid 10 and name HB2) (resid 12 and name HN) 4.0 2.8 1.0 !
assign (resid 10 and name HB1) (resid 28 and name HN) 4.0 1.8 2.0

assign (resid 10 and name HB2) (resid 44 and name hd*) 4.0 2.2 3.5 ! !#
assign (resid 10 and name HB1) (resid 47 and name HD#) 4.0 4.2 2.0 ! !#
assign (resid 10 and name HB2) (resid 47 and name HD#) 4.0 4.2 2.0 ! !#

!Q11
assign (resid 11 and name HN) (resid 11 and name HA) 2.5 0.7 0.4
assign (resid 11 and name HN) (resid 11 and name HB#) 3.0 1.8 1.1 !#
assign (resid 11 and name HN) (resid 11 and name HG#) 4.0 3.2 2.0 !#
assign (resid 11 and name HA) (resid 11 and name HB#) 2.5 1.7 1.2 !#
assign (resid 11 and name HA) (resid 11 and name HG#) 3.0 1.8 0.9 !#

assign (resid 11 and name HN) (resid 12 and name HN) 4.0 2.2 1.0
assign (resid 11 and name hn) (resid 44 and name hd*) 4.0 2.2 3.5
assign (resid 11 and name HA) (resid 12 and name HN) 3.0 1.2 0.5
assign (resid 11 and name HB#) (resid 12 and name HN) 4.0 3.2 2.0 !
assign (resid 11 and name HG#) (resid 12 and name HN) 4.0 2.8 3.0 !
assign (resid 11 and name hg#) (resid 44 and name hd1#) 4.0 2.2 4.0
assign (resid 11 and name hg#) (resid 44 and name hd2#) 4.0 2.2 4.0

!T12
assign (resid 12 and name HN) (resid 12 and name HA) 2.5 0.7 0.4
assign (resid 12 and name HN) (resid 12 and name HB) 2.5 0.7 0.4
assign (resid 12 and name HN) (resid 12 and name HG2#) 2.5 2.2 1.9 !#
assign (resid 12 and name HA) (resid 12 and name HG2#) 4.0 2.2 2.5 !#

assign (resid 12 and name HA) (resid 13 and name HN) 3.0 1.2 0.5
assign (resid 12 and name Hb) (resid 14 and name HN) 4.0 2.2 1.0
assign (resid 12 and name HA) (resid 47 and name HG#) 4.0 2.8 3.0 !#
assign (resid 12 and name HA) (resid 47 and name HD#) 4.0 3.2 2.0 !#
assign (resid 12 and name HB) (resid 47 and name HB#) 3.0 2.2 1.3 !#
assign (resid 12 and name HB) (resid 47 and name HG#) 4.0 3.2 2.0 !#
assign (resid 12 and name HB) (resid 47 and name HD#) 3.0 2.2 1.3 !#
assign (resid 12 and name HG2#) (resid 13 and name HN) 4.0 3.7 2.5 !
assign (resid 12 and name HG2#) (resid 13 and name HA) 4.0 3.7 2.5 !
assign (resid 12 and name HG2#) (resid 14 and name HN) 4.0 3.7 2.5 !
assign (resid 12 and name HG2#) (resid 14 and name HA) 4.0 3.7 2.5 !
assign (resid 12 and name HG2#) (resid 15 and name HB) 4.0 2.2 2.5 !
assign (resid 12 and name HG2#) (resid 15 and name Hg2#) 3.0 1.2 3.5 !
assign (resid 12 and name HG2#) (resid 18 and name HH2) 3.0 2.7 1.8 !
assign (resid 12 and name HG2#) (resid 18 and name HZ2) 4.0 3.7 2.5 !
assign (resid 12 and name HG2#) (resid 18 and name HZ3) 3.0 2.7 1.8 !
assign (resid 12 and name HG2#) (resid 27 and name HA) 4.0 2.2 3.5
assign (resid 12 and name HG2#) (resid 28 and name HA) 4.0 3.7 2.5 !
assign (resid 12 and name HG2#) (resid 28 and name HB#) 3.0 3.7 2.8 ! !#
assign (resid 12 and name HG2#) (resid 47 and name HB#) 4.0 1.8 4.5
assign (resid 12 and name HG2#) (resid 47 and name HG#) 3.0 3.7 2.8 ! !#
assign (resid 12 and name HG2#) (resid 47 and name HD#) 4.0 4.3 4.5 ! !#
!S13
assign (resid 13 and name HN) (resid 13 and name HA) 4.0 2.2 1.0
assign (resid 13 and name HN) (resid 13 and name HB#) 3.0 1.8 1.1 !#
assign (resid 13 and name HA) (resid 13 and name HB#) 2.5 1.7 1.2 !#
assign (resid 13 and name HN) (resid 14 and name HN) 3.0 1.2 0.5
assign (resid 13 and name HA) (resid 14 and name HN) 4.0 2.2 1.0
assign (resid 13 and name HA) (resid 15 and name HG2#) 4.0 3.3 3.5 !#
assign (resid 13 and name HA) (resid 18 and name HZ2) 3.0 1.2 0.3
assign (resid 13 and name HA) (resid 18 and name HH2) 4.0 2.2 1.0
assign (resid 13 and name HB#) (resid 14 and name HN) 4.0 1.8 3.0
assign (resid 13 and name HB#) (resid 18 and name HZ2) 4.0 2.2 2.0 !
assign (resid 13 and name HB#) (resid 18 and name HH2) 4.0 3.2 2.0 !
!T14
assign (resid 14 and name HN) (resid 14 and name HA) 4.0 2.2 1.0
assign (resid 14 and name HN) (resid 14 and name HB) 4.0 2.2 1.0
assign (resid 14 and name HN) (resid 14 and name HG2#) 3.0 2.7 2.0 !#
assign (resid 14 and name HA) (resid 14 and name HB) 2.5 0.7 0.2
assign (resid 14 and name HA) (resid 14 and name HG2#) 2.5 1.8 1.3 !#
assign (resid 14 and name HN) (resid 15 and name HN) 4.0 1.8 2.0 
assign (resid 14 and name HA) (resid 15 and name HN) 2.5 0.7 0.4
assign (resid 14 and name HA) (resid 15 and name HG2#) 4.0 2.2 2.5
assign (resid 14 and name HB) (resid 15 and name HN) 4.0 2.2 1.0
assign (resid 14 and name HB) (resid 51 and name HD#) 3.0 1.2 1.8
assign (resid 14 and name HG2#) (resid 15 and name HA) 4.0 3.7 2.5 !
assign (resid 14 and name HG2#) (resid 15 and name HN) 3.0 2.7 2.0 !
assign (resid 14 and name HG2#) (resid 15 and name HG2#) 4.0 5.2 4.0 ! !#
assign (resid 14 and name HG2#) (resid 50 and name HA1) 4.0 2.2 2.5
assign (resid 14 and name HG2#) (resid 50 and name HA2) 3.0 1.2 1.8
assign (resid 14 and name HG2#) (resid 51 and name HA) 4.0 2.2 2.5
assign (resid 14 and name HG2#) (resid 51 and name HB) 4.0 1.8 3.5
assign (resid 14 and name HG2#) (resid 51 and name HG1#) 4.0 1.8 5.0
assign (resid 14 and name HG2#) (resid 51 and name HD#) 3.0 1.2 3.8
!T15
assign (resid 15 and name HN) (resid 15 and name HA) 4.0 2.2 1.0
assign (resid 15 and name HN) (resid 15 and name HB) 4.0 1.8 2.0
assign (resid 15 and name HN) (resid 15 and name HG2#) 3.0 2.7 2.0 !#
assign (resid 15 and name HA) (resid 15 and name HB) 2.5 0.7 0.2
assign (resid 15 and name HA) (resid 15 and name HG2#) 2.5 1.8 1.3 !#
assign (resid 15 and name HA) (resid 16 and name HN) 4.0 2.2 1.0
assign (resid 15 and name HA) (resid 16 and name HG2#) 4.0 3.3 3.5 !#
assign (resid 15 and name HA) (resid 17 and name HN) 4.0 1.8 2.0
assign (resid 15 and name HA) (resid 28 and name HB1) 4.0 2.2 1.0
assign (resid 15 and name HA) (resid 28 and name HB2) 3.0 1.2 0.3
assign (resid 15 and name HA) (resid 28 and name HA) 4.0 2.2 1.0
assign (resid 15 and name HA) (resid 51 and name HG1#) 4.0 3.2 2.0 !#
assign (resid 15 and name HA) (resid 51 and name HG2#) 4.0 3.3 3.5 !#
assign (resid 15 and name HA) (resid 51 and name HD#) 3.0 2.7 1.8 !#
assign (resid 15 and name HB) (resid 16 and name HN) 4.0 1.8 2.0
assign (resid 15 and name HB) (resid 18 and name HZ2) 4.0 2.2 2.0
assign (resid 15 and name HB) (resid 28 and name HA) 3.0 1.2 0.3
assign (resid 15 and name HB) (resid 28 and name HB1) 3.0 2.2 0.3 !#
assign (resid 15 and name HB) (resid 28 and name HB2) 3.0 2.2 0.3 !#
assign (resid 15 and name HB) (resid 51 and name HD#) 4.0 3.7 2.5 !#
assign (resid 15 and name HG2#) (resid 16 and name HN) 4.0 3.7 2.5 !
assign (resid 15 and name HG2#) (resid 17 and name HN) 4.0 2.2 2.5 !
assign (resid 15 and name hg2#) (resid 18 and name hb1) 4.0 2.2 3.5
assign (resid 15 and name hg2#) (resid 18 and name hb2) 4.0 2.2 3.5
assign (resid 15 and name HG2#) (resid 18 and name HN) 4.0 3.3 3.5 !
assign (resid 15 and name HG2#) (resid 18 and name HA) 3.0 2.7 1.8 !
assign (resid 15 and name HG2#) (resid 18 and name HZ2) 3.0 2.7 1.8 !
assign (resid 15 and name HG2#) (resid 18 and name HD1) 4.0 3.7 2.5 !
assign (resid 15 and name HG2#) (resid 18 and name HH2) 4.0 3.7 2.5 !
assign (resid 15 and name HG2#) (resid 18 and name HZ3) 4.0 3.3 3.5 !
assign (resid 15 and name HG2#) (resid 18 and name HE1) 3.0 2.7 1.8 !
assign (resid 15 and name HG2#) (resid 28 and name HA) 2.5 2.2 1.7 !
assign (resid 15 and name HG2#) (resid 28 and name HB1) 3.0 3.7 1.8 ! !#
assign (resid 15 and name HG2#) (resid 28 and name HB2) 3.0 3.7 1.8 ! !#
assign (resid 15 and name HG2#) (resid 29 and name HN) 4.0 2.2 2.5 !
assign (resid 15 and name HG2#) (resid 51 and name HD#) 3.0 4.2 3.3 ! !#
!T16
assign (resid 16 and name HN) (resid 16 and name HA) 4.0 2.2 1.0
assign (resid 16 and name HN) (resid 16 and name HB) 4.0 2.2 1.0
assign (resid 16 and name HN) (resid 16 and name HG2#) 4.0 3.7 2.5 !#
assign (resid 16 and name HA) (resid 16 and name HG2#) 2.5 1.8 1.3 !#
assign (resid 16 and name HN) (resid 17 and name HN) 3.0 1.2 0.5
assign (resid 16 and name HA) (resid 17 and name HN) 3.0 1.2 0.5
assign (resid 16 and name HA) (resid 51 and name HG2#) 3.0 2.7 1.8 !#
assign (resid 16 and name HA) (resid 51 and name HD#) 3.0 2.7 1.8 !#
!
assign (resid 16 and name HB) (resid 17 and name HN) 4.0 2.2 1.0
assign (resid 16 and name HB) (resid 51 and name HD#) 3.0 2.7 1.8 !#
assign (resid 16 and name HG2#) (resid 17 and name HN) 3.0 2.7 2.0 !
assign (resid 16 and name HG2#) (resid 30 and name HB#) 4.0 2.2 4.0
assign (resid 16 and name HG2#) (resid 51 and name HB) 4.0 2.2 2.5
assign (resid 16 and name HG2#) (resid 51 and name HG1#) 4.0 2.2 4.0
assign (resid 16 and name HG2#) (resid 51 and name HG2#) 2.5 3.7 3.2 ! !#
assign (resid 16 and name HG2#) (resid 51 and name HD#) 2.5 3.7 3.2 ! !#
!L17
assign (resid 17 and name HN) (resid 17 and name HA) 3.0 1.2 0.5
assign (resid 17 and name HN) (resid 17 and name HB1) 4.0 2.8 1.0 !#
assign (resid 17 and name HN) (resid 17 and name HB2) 4.0 2.8 1.0 !#
assign (resid 17 and name HN) (resid 17 and name HG) 4.0 2.2 1.0
assign (resid 17 and name HN) (resid 17 and name hd1#) 4.0 2.2 2.5 !#
assign (resid 17 and name HN) (resid 17 and name hd2#) 4.0 2.2 2.5 !#
assign (resid 17 and name HA) (resid 17 and name HB1) 2.5 1.7 0.2 !#
assign (resid 17 and name HA) (resid 17 and name HB2) 3.0 1.2 0.5 !#
assign (resid 17 and name HA) (resid 17 and name HG) 4.0 2.2 1.0
assign (resid 17 and name HA) (resid 17 and name hd*) 3.0 1.2 1.8 !# hda
assign (resid 17 and name HA) (resid 18 and name HN) 3.0 1.2 0.5
assign (resid 17 and name HB1) (resid 18 and name HN) 4.0 2.2 1.0!
assign (resid 17 and name HB1) (resid 18 and name HN) 4.0 2.2 1.0 !
assign (resid 17 and name HG) (resid 18 and name HN) 4.0 2.2 1.0
assign (resid 17 and name hd1#) (resid 18 and name hn) 4.0 2.2 2.5
assign (resid 17 and name hn) (resid 28 and name hb2) 4.0 2.2 1.0
assign (resid 17 and name hn) (resid 29 and name hb#) 4.0 2.2 3.0
assign (resid 17 and name hn) (resid 30 and name hb#) 4.0 2.2 3.5
assign (resid 17 and name hd*) (resid 29 and name hb#) 4.0 2.2 3.5  !db
!W18
assign (resid 18 and name HN) (resid 18 and name HA) 4.0 1.8 2.0
assign (resid 18 and name HN) (resid 18 and name HB1) 3.0 1.2 0.5 !#
assign (resid 18 and name HN) (resid 18 and name HB2) 2.5 1.3 0.4 !#
assign (resid 18 and name ha) (resid 18 and name hb1) 2.5 0.7 0.2
assign (resid 18 and name ha) (resid 18 and name hb2) 3.0 1.2 0.3
assign (resid 18 and name HN) (resid 18 and name HD1) 4.0 1.8 2.0
assign (resid 18 and name HB1) (resid 18 and name HD1) 4.0 2.2 1.0 !
assign (resid 18 and name HB2) (resid 18 and name HD1) 2.5 1.7 0.2 !
assign (resid 18 and name HA) (resid 19 and name HN) 3.0 1.2 0.5
assign (resid 18 and name HB1) (resid 19 and name HN) 4.0 3.2 1.0 !
assign (resid 18 and name HB2) (resid 19 and name HN) 4.0 3.2 1.0 !
assign (resid 18 and name HZ3) (resid 27 and name HA) 4.0 1.8 2.0
assign (resid 18 and name HZ3) (resid 27 and name HG1#) 4.0 3.7 3.5 !#
assign (resid 18 and name HZ3) (resid 28 and name HA) 4.0 2.2 1.0
assign (resid 18 and name HE3) (resid 19 and name HN) 4.0 2.2 1.0
assign (resid 18 and name HE3) (resid 27 and name HN) 4.0 1.8 2.0
assign (resid 18 and name HE3) (resid 28 and name HN) 4.0 1.8 2.0
assign (resid 18 and name HE3) (resid 28 and name HA) 3.0 1.2 0.3
assign (resid 18 and name HE3) (resid 28 and name HB1) 4.0 2.2 1.0
assign (resid 18 and name HE3) (resid 28 and name HB2) 4.0 2.2 2.0
assign (resid 18 and name hz3) (resid 28 and name hn) 4.0 2.2 1.0

!R19
assign (resid 19 and name HN) (resid 19 and name HA) 4.0 1.8 2.0
assign (resid 19 and name HN) (resid 19 and name HB#) 3.0 1.8 1.1 !#
assign (resid 19 and name HN) (resid 19 and name HG#) 4.0 3.2 2.0 !#
assign (resid 19 and name HN) (resid 19 and name HD#) 4.0 2.8 3.0 !#
assign (resid 19 and name HA) (resid 19 and name HB#) 3.0 2.2 1.3 !#
assign (resid 19 and name HA) (resid 19 and name HG#) 4.0 2.8 1.6 !#
assign (resid 19 and name HA) (resid 19 and name HD#) 3.0 2.2 1.3 !#
assign (resid 19 and name HN) (resid 27 and name HG2#) 4.0 2.2 2.5
assign (resid 19 and name HA) (resid 20 and name HN) 3.0 1.2 0.5
assign (resid 19 and name HA) (resid 27 and name HG2#) 4.0 1.8 3.5
assign (resid 19 and name HB#) (resid 20 and name HN) 4.0 3.2 2.0 !
assign (resid 19 and name HB#) (resid 27 and name HG2#) 2.5 0.7 2.7
assign (resid 19 and name HB#) (resid 29 and name HA) 3.0 1.2 1.3
assign (resid 19 and name HG#) (resid 27 and name HG2#) 4.0 2.2 3.5
assign (resid 19 and name HG#) (resid 29 and name HA) 3.0 1.2 1.3
assign (resid 19 and name HD#) (resid 27 and name HG2#) 3.0 1.2 2.8
assign (resid 19 and name HD#) (resid 29 and name HA) 3.0 1.2 2.8
assign (resid 19 and name he) (resid 29 and name ha) 4.0 2.2 2.0
assign (resid 19 and name he) (resid 29 and name hb#) 4.0 2.2 3.0

!R20
assign (resid 20 and name HN) (resid 20 and name HA) 4.0 2.2 1.0
assign (resid 20 and name HN) (resid 20 and name HB#) 2.5 1.3 1.0 !#
assign (resid 20 and name HN) (resid 20 and name HG#) 3.0 2.2 1.5 !#
assign (resid 20 and name HN) (resid 20 and name HD#) 4.0 2.8 3.0 !#
assign (resid 20 and name HA) (resid 20 and name HB#) 3.0 2.2 1.3 !#
assign (resid 20 and name HA) (resid 20 and name HG#) 4.0 2.8 1.6 !#
assign (resid 20 and name HA) (resid 20 and name HD#) 3.0 2.2 1.3 !#

assign (resid 20 and name HN) (resid 27 and name HG2#) 4.0 3.7 3.5 !#
assign (resid 20 and name HA) (resid 21 and name HN) 2.5 0.7 0.4

assign (resid 20 and name HA) (resid 26 and name HA) 2.5 0.7 0.2
assign (resid 20 and name HA) (resid 27 and name HN) 3.0 1.2 0.5
assign (resid 20 and name HA) (resid 27 and name HG2#) 4.0 2.2 2.5 !#


assign (resid 20 and name HB#) (resid 21 and name HN) 4.0 2.2 1.0
assign (resid 20 and name HG#) (resid 21 and name HN) 4.0 3.2 2.0 !
assign (resid 20 and name HG#) (resid 26 and name HA) 4.0 2.2 2.0 !
assign (resid 20 and name HG#) (resid 26 and name HG#) 4.0 2.2 3.0
assign (resid 20 and name HD#) (resid 21 and name HN) 4.0 3.2 2.0 !
assign (resid 20 and name HD#) (resid 21 and name HA) 4.0 2.8 3.0 !
assign (resid 20 and name HD#) (resid 24 and name HN) 4.0 1.8 3.0
assign (resid 20 and name HD#) (resid 25 and name HN) 4.0 1.8 3.0
assign (resid 20 and name HD#) (resid 26 and name HA) 3.0 1.2 1.3
assign (resid 20 and name HD#) (resid 26 and name HB#) 4.0 2.2 3.0
assign (resid 20 and name HD#) (resid 27 and name HN) 4.0 2.2 2.0 !
assign (resid 20 and name hd#) (resid 24 and name ha#) 4.0 2.2 3.0
assign (resid 20 and name hd#) (resid 21 and name hb#) 4.0 2.2 3.0
!S21
assign (resid 21 and name HN) (resid 21 and name HA) 4.0 2.2 1.0
assign (resid 21 and name HN) (resid 21 and name HB#) 2.5 1.3 1.0 !#
assign (resid 21 and name HA) (resid 21 and name HB#) 2.5 1.7 1.2 !#
assign (resid 21 and name hn) (resid 22 and name hd#) 4.0 2.2 3.0
assign (resid 21 and name HN) (resid 24 and name HN) 4.0 1.8 2.0
assign (resid 21 and name HN) (resid 25 and name HN) 4.0 1.8 2.0
assign (resid 21 and name HN) (resid 26 and name HA) 4.0 2.2 1.0
assign (resid 21 and name HN) (resid 25 and name HB#) 4.0 2.8 3.0 !#
assign (resid 21 and name HN) (resid 27 and name HN) 4.0 2.2 1.0
assign (resid 21 and name HN) (resid 27 and name HG2#) 3.0 2.7 1.8 !#
assign (resid 21 and name HA) (resid 22 and name HD#) 3.0 2.2 1.3 !#
assign (resid 21 and name HA) (resid 22 and name HG#) 3.0 2.2 1.3 !#
assign (resid 21 and name HA) (resid 27 and name HG2#) 4.0 2.2 2.5
assign (resid 21 and name HB#) (resid 22 and name HD#) 3.0 3.2 2.3 ! !#
assign (resid 21 and name HB#) (resid 25 and name HN) 4.0 2.2 2.0
assign (resid 21 and name HB#) (resid 27 and name HG2#) 2.5 3.2 2.7 ! !#
assign (resid 21 and name HB#) (resid 27 and name HG1#) 4.0 4.7 3.5 ! !#
!P22
assign (resid 22 and name HA) (resid 22 and name HB#) 2.5 1.7 1.2 !#
assign (resid 22 and name HA) (resid 22 and name HD#) 4.0 3.2 2.0 !#
assign (resid 22 and name HA) (resid 23 and name HN) 4.0 2.2 1.0
!M23
assign (resid 23 and name HN) (resid 23 and name HA) 3.0 1.2 0.5
assign (resid 23 and name HN) (resid 23 and name HB#) 3.0 1.8 1.1 !#
assign (resid 23 and name HN) (resid 23 and name HG#) 3.0 2.2 1.5 !#
assign (resid 23 and name HA) (resid 23 and name HB#) 2.5 1.7 1.2 !#
assign (resid 23 and name HA) (resid 23 and name HG#) 3.0 1.8 0.9 !#
assign (resid 23 and name HE#) (resid 23 and name HA) 4.0 3.7 2.5 !
assign (resid 23 and name HN) (resid 24 and name HN) 3.0 1.2 0.5
assign (resid 23 and name HB#) (resid 24 and name HN) 4.0 3.2 2.0 !
assign (resid 23 and name HA) (resid 24 and name HN) 4.0 2.2 1.0
assign (resid 23 and name HG#) (resid 24 and name HN) 4.0 2.8 3.0 !
!G24
assign (resid 24 and name HN) (resid 24 and name HA#) 2.5 1.3 1.0 !#
assign (resid 24 and name HN) (resid 25 and name HN) 3.0 1.2 0.5
assign (resid 24 and name HA1) (resid 25 and name HN) 4.0 2.2 1.0 !
assign (resid 24 and name HA2) (resid 25 and name HN) 3.0 2.2 0.5 !
!D25
assign (resid 25 and name HN) (resid 25 and name HA) 4.0 2.2 1.0
assign (resid 25 and name HN) (resid 25 and name HB2) 2.5 1.3 0.2 !#
assign (resid 25 and name HN) (resid 25 and name HB1) 4.0 2.2 1.0 !#
assign (resid 25 and name HA) (resid 25 and name HB1) 2.5 1.7 0.2 !#
assign (resid 25 and name HA) (resid 25 and name HB2) 4.0 2.2 1.0 !#
assign (resid 25 and name HA) (resid 26 and name HB#) 4.0 3.2 2.0 !#
assign (resid 25 and name HA) (resid 26 and name HG#) 3.0 2.2 1.3 !#
assign (resid 25 and name HA) (resid 26 and name HD#) 2.5 1.7 1.2 !#
assign (resid 25 and name HB1) (resid 26 and name HD#) 3.0 3.2 1.3 ! !#
assign (resid 25 and name HB2) (resid 26 and name HD#) 4.0 2.2 2.0 ! !#
!P26
assign (resid 26 and name HA) (resid 26 and name HB1) 2.5 1.7 0.2 !#
assign (resid 26 and name HA) (resid 26 and name HB2) 3.0 1.2 0.3 !#
assign (resid 26 and name HA) (resid 26 and name HG#) 3.0 1.8 0.9 !#
assign (resid 26 and name HA) (resid 26 and name HD#) 4.0 3.2 2.0 !#
assign (resid 26 and name HA) (resid 27 and name HN) 2.5 0.7 0.4
assign (resid 26 and name HA) (resid 27 and name HG1#) 4.0 3.7 3.5 !#
assign (resid 26 and name HA) (resid 27 and name hg2#) 4.0 2.2 2.5
assign (resid 26 and name HB1) (resid 27 and name HN) 4.0 2.2 1.0
assign (resid 26 and name HB2) (resid 27 and name HN) 4.0 2.2 1.0 !
assign (resid 26 and name HB2) (resid 27 and name HG1#) 4.0 2.2 2.5 ! !#
!V27
assign (resid 27 and name HN) (resid 27 and name HA) 4.0 2.2 1.0
assign (resid 27 and name HN) (resid 27 and name HB) 4.0 2.2 1.0
assign (resid 27 and name HN) (resid 27 and name HG1#) 4.0 3.7 2.5 !#
assign (resid 27 and name HN) (resid 27 and name HG2#) 2.5 2.2 1.9 !#
assign (resid 27 and name HA) (resid 27 and name HB) 2.5 0.7 0.2
assign (resid 27 and name HA) (resid 27 and name HG1#) 2.5 1.8 1.3 !#
assign (resid 27 and name HA) (resid 27 and name HG2#) 4.0 3.3 2.1 !#
assign (resid 27 and name HA) (resid 28 and name HN) 3.0 1.2 0.5
assign (resid 27 and name HA) (resid 31 and name HB1) 4.0 2.8 1.0 !#
assign (resid 27 and name HA) (resid 31 and name HB2) 4.0 2.8 1.0 !#
assign (resid 27 and name HB) (resid 28 and name HN) 3.0 1.2 0.5
assign (resid 27 and name HB) (resid 31 and name HN) 4.0 1.8 2.0
assign (resid 27 and name HB) (resid 31 and name HB1) 4.0 2.2 1.0 !#
assign (resid 27 and name HB) (resid 31 and name HB2) 3.0 2.2 0.3 !#
assign (resid 27 and name HB) (resid 32 and name HN) 4.0 2.2 1.0
assign (resid 27 and name HG1#) (resid 28 and name HN) 3.0 2.7 2.0 !
assign (resid 27 and name HG1#) (resid 31 and name HN) 4.0 3.3 3.5 !
assign (resid 27 and name HG1#) (resid 31 and name HB1) 4.0 2.2 3.0! !#
assign (resid 27 and name HG1#) (resid 31 and name HB2) 4.0 2.2 3.0 ! !#
assign (resid 27 and name HG1#) (resid 32 and name HN) 4.0 3.3 3.5 !
assign (resid 27 and name HG1#) (resid 32 and name HA#) 4.0 4.7 3.5 ! !#
assign (resid 27 and name HG2#) (resid 28 and name HN) 4.0 3.7 2.5 !
assign (resid 27 and name HG2#) (resid 31 and name HN) 4.0 3.7 2.5 !
assign (resid 27 and name HG2#) (resid 31 and name HB2) 4.0 2.2 3.5 ! !#
assign (resid 27 and name HG2#) (resid 31 and name HB2) 4.0 2.2 3.5 ! !#
assign (resid 27 and name HG2#) (resid 32 and name HN) 3.0 2.7 2.0 !
assign (resid 27 and name HG2#) (resid 32 and name HA#) 2.5 3.2 2.7 ! !#
!C28
assign (resid 28 and name HN) (resid 28 and name HA) 4.0 2.2 1.0
assign (resid 28 and name HN) (resid 28 and name HB2) 4.0 2.2 1.0 !#
assign (resid 28 and name HN) (resid 28 and name HB1) 3.0 1.2 0.5 !#
assign (resid 28 and name HA) (resid 28 and name HB1) 2.5 1.7 0.2 !#
assign (resid 28 and name HA) (resid 28 and name HB2) 2.5 0.7 0.2 !#
assign (resid 28 and name hn) (resid 31 and name hb1) 4.0 2.2 2.0
assign (resid 28 and name hn) (resid 31 and name hb2) 4.0 2.2 1.0
assign (resid 28 and name HA) (resid 29 and name HN) 3.0 1.2 0.5
assign (resid 28 and name HA) (resid 30 and name HN) 4.0 2.2 1.0
assign (resid 28 and name HA) (resid 31 and name HN) 4.0 1.8 2.0
assign (resid 28 and name HB1) (resid 29 and name HN) 4.0 3.2 1.0 !
assign (resid 28 and name HB2) (resid 29 and name HN) 4.0 3.2 1.0 !
!N29
assign (resid 29 and name HN) (resid 29 and name HA) 4.0 1.8 1.0
assign (resid 29 and name HN) (resid 29 and name HB#) 3.0 1.8 1.1 !#
assign (resid 29 and name HA) (resid 29 and name HB#) 2.5 1.7 1.2 !#
assign (resid 29 and name HN) (resid 30 and name HN) 4.0 2.2 1.0
assign (resid 29 and name HA) (resid 30 and name HN) 4.0 2.2 1.0
assign (resid 29 and name HA) (resid 33 and name HG) 4.0 1.8 2.0
assign (resid 29 and name HA) (resid 33 and name hd1#) 4.0 2.2 2.5
assign (resid 29 and name HA) (resid 33 and name hd2#) 4.0 2.2 2.5
assign (resid 29 and name HB#) (resid 30 and name HN) 4.0 3.2 2.0 !
!A30
assign (resid 30 and name HN) (resid 30 and name HA) 4.0 2.2 1.0
assign (resid 30 and name HN) (resid 30 and name HB#) 2.5 1.8 1.5 !#
assign (resid 30 and name HN) (resid 31 and name HN) 3.0 1.2 0.5
assign (resid 30 and name HA) (resid 31 and name HN) 4.0 1.8 2.0
assign (resid 30 and name HA) (resid 33 and name hd1#) 3.0 3.6 1.8 !#

assign (resid 30 and name ha) (resid 33 and name hn) 4.0 2.2 1.0
assign (resid 30 and name HB#) (resid 31 and name HN) 2.5 2.2 1.9 !
assign (resid 30 and name HB#) (resid 32 and name HN) 4.0 2.2 2.0
assign (resid 30 and name HB#) (resid 32 and name HA#) 4.0 4.7 3.5 ! !#
assign (resid 30 and name HB#) (resid 33 and name hd1#) 3.0 5.1 3.3 ! !#
!C31
assign (resid 31 and name HN) (resid 31 and name HA) 4.0 2.2 1.0
assign (resid 31 and name HN) (resid 31 and name HB1) 4.0 2.2 1.0 !#
assign (resid 31 and name HN) (resid 31 and name HB2) 2.5 1.3 0.4 !#

assign (resid 31 and name Ha) (resid 31 and name HB1) 3.0 1.2 0.3 !#
assign (resid 31 and name Ha) (resid 31 and name HB2) 3.0 1.2 0.3 !#
assign (resid 31 and name HN) (resid 32 and name HN) 3.0 1.2 0.5
assign (resid 31 and name HA) (resid 34 and name HB1) 4.0 2.2 1.0
assign (resid 31 and name HA) (resid 34 and name HB2) 4.0 2.2 1.0
assign (resid 31 and name HB1) (resid 32 and name HN) 4.0 3.2 1.0 !
assign (resid 31 and name HB2) (resid 32 and name HN) 4.0 3.2 1.0 !
!G32
assign (resid 32 and name HN) (resid 32 and name HA1) 3.0 1.8 0.5 !#
assign (resid 32 and name HN) (resid 32 and name HA2) 3.0 1.8 0.5 !#
assign (resid 32 and name HN) (resid 33 and name HN) 3.0 1.2 0.5
assign (resid 32 and name hn) (resid 34 and name hn) 4.0 2.2 1.0
assign (resid 32 and name HA1) (resid 33 and name HN) 4.0 2.8 1.0 !
assign (resid 32 and name HA2) (resid 33 and name HN) 4.0 2.8 1.0 !
assign (resid 32 and name HA1) (resid 35 and name HN) 4.0 1.8 1.0
assign (resid 32 and name HA2) (resid 35 and name HN) 4.0 1.8 1.0
assign (resid 32 and name HA1) (resid 35 and name HB1) 4.0 1.8 1.0
assign (resid 32 and name HA2) (resid 35 and name HB1) 4.0 1.8 1.0
assign (resid 32 and name HA1) (resid 35 and name HB2) 4.0 1.8 1.0
assign (resid 32 and name HA2) (resid 35 and name HB2) 4.0 1.8 1.0
!L33
assign (resid 33 and name HN) (resid 33 and name HA) 3.0 1.2 0.5
assign (resid 33 and name HN) (resid 33 and name HB1) 4.0 2.2 1.0 !#
assign (resid 33 and name HN) (resid 33 and name HB2) 3.0 1.8 0.5 !#
assign (resid 33 and name HN) (resid 33 and name hd2#) 3.0 1.2 1.8 !#
assign (resid 33 and name HN) (resid 33 and name hd1#) 4.0 2.2 2.5 !#
assign (resid 33 and name HA) (resid 33 and name HB1) 2.5 1.7 0.2 !#
assign (resid 33 and name HA) (resid 33 and name HB2) 3.0 1.2 0.3 !#
assign (resid 33 and name HA) (resid 33 and name HG) 4.0 2.2 1.0
assign (resid 33 and name HA) (resid 33 and name HD1#) 4.0 2.2 2.5
assign (resid 33 and name HA) (resid 33 and name hd2#) 2.5 1.2 2.2 !#
assign (resid 33 and name HN) (resid 34 and name HN) 3.0 1.2 0.5
assign (resid 33 and name HA) (resid 34 and name HN) 4.0 2.2 1.0
assign (resid 33 and name HA) (resid 36 and name HN) 3.0 1.2 0.5
assign (resid 33 and name HA) (resid 36 and name HB#) 3.0 2.2 1.3 !#
assign (resid 33 and name HA) (resid 36 and name HE#) 4.0 3.2 2.0 !#
assign (resid 33 and name HB1) (resid 34 and name HN) 4.0 3.2 1.0 !
assign (resid 33 and name HB2) (resid 34 and name HN) 4.0 3.2 1.0 !
assign (resid 33 and name HB1) (resid 35 and name HN) 4.0 3.2 2.0 !
assign (resid 33 and name HB2) (resid 35 and name HN) 4.0 3.2 2.0 !
assign (resid 33 and name HB1) (resid 36 and name HN) 4.0 3.2 2.0 !
assign (resid 33 and name HB2) (resid 36 and name HN) 4.0 3.2 2.0 !
assign (resid 33 and name HG) (resid 34 and name HN) 4.0 1.8 2.0
assign (resid 33 and name hd1#) (resid 34 and name HN) 4.0 4.6 3.5 !
assign (resid 33 and name hd2#) (resid 34 and name HN) 4.0 4.6 3.5 !
assign (resid 33 and name hd2#) (resid 36 and name HN) 4.0 4.6 3.4 !
assign (resid 33 and name hd2#) (resid 36 and name HB#) 3.0 4.6 2.8 ! !#
assign (resid 33 and name hd2#) (resid 36 and name HG#) 4.0 5.6 3.5 ! !#
assign (resid 33 and name hd2#) (resid 36 and name HD#) 3.0 4.6 2.8 ! !#
assign (resid 33 and name hd2#) (resid 36 and name HE#) 2.5 4.1 2.7 ! !#
!Y34
assign (resid 34 and name HN) (resid 34 and name HA) 4.0 1.8 2.0
assign (resid 34 and name HN) (resid 34 and name HB1) 3.0 1.8 0.5 !#
assign (resid 34 and name HN) (resid 34 and name HB2) 3.0 1.8 0.5 !#
assign (resid 34 and name HN) (resid 34 and name HD1) 4.0 4.2 1.0 !#
assign (resid 34 and name HN) (resid 34 and name HD2) 4.0 4.2 1.0 !#
assign (resid 34 and name HA) (resid 34 and name HB1) 3.0 2.2 0.3 !#
assign (resid 34 and name HA) (resid 34 and name HB2) 3.0 2.2 0.3 !#
assign (resid 34 and name HA) (resid 34 and name HD1) 4.0 4.2 1.0 !#
assign (resid 34 and name HA) (resid 34 and name HD2) 4.0 4.2 1.0 !#
assign (resid 34 and name HN) (resid 35 and name HN) 4.0 2.2 1.0
assign (resid 34 and name HA) (resid 35 and name HN) 4.0 2.2 1.0
assign (resid 34 and name HA) (resid 37 and name HB#) 4.0 2.2 2.0
assign (resid 34 and name HA) (resid 37 and name hd2#) 3.0 1.2 1.8 !#
assign (resid 34 and name HA) (resid 37 and name hd1#) 4.0 2.2 2.5 !#
assign (resid 34 and name HA) (resid 38 and name HD2) 4.0 2.2 1.0
assign (resid 34 and name HB1) (resid 35 and name HN) 4.0 3.2 1.0 !
assign (resid 34 and name HB2) (resid 35 and name HN) 4.0 3.2 1.0 !
assign (resid 34 and name HD1) (resid 35 and name HA) 4.0 4.2 1.0 !
assign (resid 34 and name HD#) (resid 35 and name HN) 4.0 3.8 4.0 !
assign (resid 34 and name HD1) (resid 40 and name HG2#) 4.0 5.7 2.5 ! !#
assign (resid 34 and name HD1) (resid 41 and name HA) 4.0 4.2 2.0 !
assign (resid 34 and name HD1) (resid 42 and name HN) 4.0 3.8 1.0 !
assign (resid 34 and name hd1) (resid 38 and name hd2) 4.0 2.2 1.0
assign (resid 34 and name he1) (resid 42 and name hn) 4.0 2.2 1.0

!Y35
assign (resid 35 and name HN) (resid 35 and name HA) 4.0 1.8 2.0
assign (resid 35 and name HN) (resid 35 and name HB1) 3.0 1.8 0.5 !#
assign (resid 35 and name HN) (resid 35 and name HB2) 3.0 1.8 0.5 !#
assign (resid 35 and name HN) (resid 35 and name HD1) 4.0 4.2 1.0 !#
assign (resid 35 and name HN) (resid 35 and name HD2) 4.0 4.2 1.0 !#
assign (resid 35 and name HA) (resid 35 and name HB1) 3.0 1.2 0.3 !#
assign (resid 35 and name HA) (resid 35 and name HB2) 2.5 1.7 0.2 !#
assign (resid 35 and name HA) (resid 35 and name HD2) 3.0 3.2 0.3 !#
assign (resid 35 and name HN) (resid 36 and name HN) 3.0 1.2 0.5
assign (resid 35 and name HA) (resid 36 and name HN) 4.0 2.2 1.0
assign (resid 35 and name HA) (resid 39 and name HN) 4.0 2.2 1.0
assign (resid 35 and name HA) (resid 40 and name HN) 3.0 1.2 0.5

assign (resid 35 and name HB1) (resid 36 and name HN) 3.0 2.2 0.5 !
assign (resid 35 and name HB2) (resid 36 and name HN) 4.0 2.2 1.0 !

assign (resid 35 and name HD1) (resid 36 and name HN) 3.0 3.2 0.5 !
assign (resid 35 and name HD1) (resid 36 and name HA) 4.0 4.2 1.0 !

assign (resid 35 and name HD1) (resid 36 and name HB#) 4.0 2.2 2.0
assign (resid 35 and name HD1) (resid 39 and name HA) 3.0 1.2 0.3 !

assign (resid 35 and name HD1) (resid 40 and name HN) 4.0 3.8 1.0 !
assign (resid 35 and name HD2) (resid 40 and name HN) 4.0 3.8 1.0 !

assign (resid 35 and name HD2) (resid 40 and name HA) 4.0 4.2 1.0 !

assign (resid 35 and name HD2) (resid 41 and name HN) 4.0 2.2 1.0 !
assign (resid 35 and name HD2) (resid 41 and name HA) 3.0 3.2 0.3 !
assign (resid 35 and name HD2) (resid 41 and name HB#) 4.0 4.8 2.0 ! !#

assign (resid 35 and name HE1) (resid 36 and name HA) 4.0 3.8 1.0 !
assign (resid 35 and name HE1) (resid 39 and name HA) 4.0 2.2 1.0

assign (resid 35 and name HE#) (resid 40 and name HN) 4.0 3.8 4.0 !

assign (resid 35 and name HE2) (resid 40 and name HA) 4.0 2.2 1.0
assign (resid 35 and name HE2) (resid 41 and name HA) 3.0 3.2 0.3 !
assign (resid 35 and name HE2) (resid 41 and name HN) 4.0 4.2 1.0 !
assign (resid 35 and name he1) (resid 39 and name hg#) 4.0 2.2 2.0
!K36
assign (resid 36 and name HN) (resid 36 and name HA) 2.5 0.7 0.4
assign (resid 36 and name HN) (resid 36 and name HB#) 2.5 1.3 1.0 !#
assign (resid 36 and name HN) (resid 36 and name HG#) 4.0 3.2 2.0 !#
assign (resid 36 and name HN) (resid 36 and name HD#) 4.0 3.2 2.0 !#
assign (resid 36 and name HA) (resid 36 and name HB#) 2.5 1.7 1.2 !#
assign (resid 36 and name HA) (resid 36 and name HG#) 3.0 1.8 0.9 !#
assign (resid 36 and name HA) (resid 36 and name HD#) 3.0 2.2 1.3 !#
assign (resid 36 and name HA) (resid 36 and name HE#) 4.0 3.2 2.0 !#
assign (resid 36 and name HN) (resid 37 and name HN) 3.0 1.2 0.5
assign (resid 36 and name HA) (resid 37 and name HN) 4.0 2.2 1.0
assign (resid 36 and name HA) (resid 37 and name hd*) 4.0 4.2 4.4 !#
assign (resid 36 and name HA) (resid 38 and name HN) 4.0 1.8 2.0
assign (resid 36 and name HA) (resid 39 and name HB#) 3.0 2.2 1.3 !#
assign (resid 36 and name HB#) (resid 37 and name HN) 2.5 1.7 1.4 !
assign (resid 36 and name HB#) (resid 37 and name hd1#) 4.0 2.2 2.5 ! !#


assign (resid 36 and name HG#) (resid 37 and name HN) 4.0 3.2 2.0 !
assign (resid 36 and name HG#) (resid 37 and name hd1#) 2.5 4.1 1.7 ! !#
assign (resid 36 and name HD#) (resid 37 and name HN) 4.0 2.8 3.0 !
assign (resid 36 and name HD#) (resid 37 and name hd1#) 4.0 2.2 3.5 ! !#
assign (resid 36 and name HE#) (resid 37 and name hd1#) 4.0 5.6 3.5 ! !#
assign (resid 36 and name HE#) (resid 37 and name HD2#) 4.0 1.8 4.5

!L37

assign (resid 37 and name HN) (resid 37 and name HA) 3.0 1.2 0.5
assign (resid 37 and name HN) (resid 37 and name HB1) 4.0 2.2 1.0 !#
assign (resid 37 and name HN) (resid 37 and name HB2) 2.5 1.3 0.4 !#
assign (resid 37 and name HN) (resid 37 and name HG) 4.0 2.2 1.0
assign (resid 37 and name HN) (resid 37 and name hd1#) 4.0 3.9 2.5 !#
assign (resid 37 and name HN) (resid 37 and name hd2#) 4.0 3.9 2.5 !#
assign (resid 37 and name HA) (resid 37 and name HB1) 3.0 1.2 0.3 !#
assign (resid 37 and name HA) (resid 37 and name HB2) 3.0 1.2 0.3 !#
assign (resid 37 and name HA) (resid 37 and name HG) 4.0 2.2 1.0
assign (resid 37 and name HA) (resid 37 and name hd1#) 2.5 2.4 1.7 !#
assign (resid 37 and name HA) (resid 37 and name HD2#) 4.0 2.2 2.5   !hd2=b
assign (resid 37 and name hn) (resid 38 and name hd2) 4.0 2.2 1.0
assign (resid 37 and name HN) (resid 38 and name HN) 3.0 1.2 0.5
assign (resid 37 and name HA) (resid 38 and name HN) 4.0 2.2 1.0
assign (resid 37 and name HA) (resid 38 and name HD2) 4.0 2.2 1.0
assign (resid 37 and name HB1) (resid 38 and name HN) 4.0 3.2 1.0 !
assign (resid 37 and name HB2) (resid 38 and name HN) 4.0 3.2 1.0 !
assign (resid 37 and name HB1) (resid 38 and name HD2) 4.0 2.8 1.0 !
assign (resid 37 and name HB2) (resid 38 and name HD2) 4.0 2.8 1.0 !
assign (resid 37 and name HB1) (resid 39 and name HN) 4.0 1.8 2.0
assign (resid 37 and name HB2) (resid 39 and name HN) 4.0 1.8 1.0
assign (resid 37 and name HG) (resid 38 and name HN) 4.0 1.8 2.0
assign (resid 37 and name HG) (resid 38 and name HD2) 4.0 2.2 1.0
assign (resid 37 and name hd1#) (resid 38 and name HN) 4.0 4.2 2.5 !
assign (resid 37 and name hd2#) (resid 38 and name HN) 4.0 4.2 3.5 !
assign (resid 37 and name hd2#) (resid 38 and name HD2) 3.0 1.2 1.8 !
assign (resid 37 and name hd1#) (resid 38 and name HD2) 4.0 2.2 3.5 !

!H38
assign (resid 38 and name HN) (resid 38 and name HA) 4.0 1.8 2.0
assign (resid 38 and name HN) (resid 38 and name HB1) 4.0 2.8 1.0 !#
assign (resid 38 and name HN) (resid 38 and name HB2) 4.0 2.8 1.0 !#
assign (resid 38 and name HA) (resid 38 and name HB1) 3.0 2.2 0.3 !#
assign (resid 38 and name HA) (resid 38 and name HB2) 4.0 2.2 1.0 !#
assign (resid 38 and name HA) (resid 38 and name HD2) 4.0 1.8 2.0
assign (resid 38 and name hn) (resid 40 and name hn) 4.0 2.2 1.0
assign (resid 38 and name HA) (resid 39 and name HN) 4.0 2.2 1.0
assign (resid 38 and name HA) (resid 40 and name HN) 4.0 1.8 2.0
assign (resid 38 and name HA) (resid 40 and name HG1#) 4.0 1.8 3.5
assign (resid 38 and name HA) (resid 40 and name HG2#) 4.0 2.2 2.5
assign (resid 38 and name hb1) (resid 40 and name hn) 4.0 2.2 1.0
assign (resid 38 and name hb2) (resid 40 and name hn) 4.0 2.2 1.0
assign (resid 38 and name HB1) (resid 40 and name HG1#) 4.0 4.3 2.5 ! !#
assign (resid 38 and name HB2) (resid 40 and name HG1#) 4.0 4.3 2.5 ! !#
assign (resid 38 and name HB1) (resid 40 and name HG2#) 3.0 3.7 1.8 ! !#
assign (resid 38 and name HB2) (resid 40 and name HG2#) 3.0 3.7 1.8 ! !#
assign (resid 38 and name HD2) (resid 40 and name HG2#) 4.0 3.7 2.5 !#
!Q39
assign (resid 39 and name HN) (resid 39 and name HA) 2.5 0.7 0.4
assign (resid 39 and name HN) (resid 39 and name HB#) 4.0 2.8 1.6 !#
assign (resid 39 and name HN) (resid 39 and name HG#) 4.0 3.2 2.0 !#
assign (resid 39 and name HA) (resid 39 and name HB#) 2.5 1.7 1.2 !#
assign (resid 39 and name HA) (resid 39 and name HG#) 3.0 1.8 0.9 !#
assign (resid 39 and name HN) (resid 40 and name HN) 3.0 1.2 0.5
assign (resid 39 and name HA) (resid 40 and name HN) 2.5 0.7 0.4
assign (resid 39 and name HA) (resid 40 and name HG1#) 4.0 3.7 2.5 !#
assign (resid 39 and name HA) (resid 40 and name HG2#) 4.0 3.3 3.5 !#
!V40
assign (resid 40 and name HN) (resid 40 and name HA) 2.5 0.7 0.4
assign (resid 40 and name HN) (resid 40 and name HB) 3.0 1.2 0.5
assign (resid 40 and name HN) (resid 40 and name HG1#) 4.0 3.7 2.5 !#
assign (resid 40 and name HN) (resid 40 and name HG2#) 2.5 2.2 1.9 !#
assign (resid 40 and name HA) (resid 40 and name HB) 2.5 0.7 0.2
assign (resid 40 and name HA) (resid 40 and name HG1#) 2.5 1.8 1.3 !#
assign (resid 40 and name HA) (resid 40 and name HG2#) 4.0 3.3 2.1 !#
assign (resid 40 and name HN) (resid 41 and name HN) 4.0 2.2 1.0
assign (resid 40 and name HA) (resid 41 and name HN) 2.5 0.7 0.4
assign (resid 40 and name HB) (resid 41 and name HN) 2.5 0.7 0.4
assign (resid 40 and name HG1#) (resid 41 and name HN) 2.5 2.2 1.9 !
assign (resid 40 and name HG2#) (resid 41 and name HN) 2.5 2.2 1.9 !
!N41
assign (resid 41 and name HN) (resid 41 and name HA) 4.0 2.2 1.0
assign (resid 41 and name HN) (resid 41 and name HB#) 2.5 1.3 1.0 !#
assign (resid 41 and name HA) (resid 41 and name HB#) 2.5 1.7 1.2 !#
assign (resid 41 and name HN) (resid 42 and name HN) 4.0 1.8 2.0
assign (resid 41 and name HA) (resid 42 and name HN) 3.0 1.2 0.5
assign (resid 41 and name HB#) (resid 42 and name HN) 4.0 3.2 2.0 !
!R42
assign (resid 42 and name HN) (resid 42 and name HB#) 3.0 1.8 1.1 !#
assign (resid 42 and name HN) (resid 42 and name HG#) 4.0 3.2 2.0 !#
assign (resid 42 and name HN) (resid 42 and name HD#) 4.0 2.8 3.0 !#
assign (resid 42 and name HA) (resid 42 and name HB#) 2.5 1.7 1.2 !#
assign (resid 42 and name HA) (resid 42 and name HG#) 3.0 1.8 0.9 !#
!P43
assign (resid 43 and name HA) (resid 43 and name HB1) 2.5 1.7 0.2 !#
assign (resid 43 and name HA) (resid 43 and name HB2) 3.0 1.2 0.3 !#
assign (resid 43 and name HA) (resid 43 and name HG#) 3.0 1.8 0.9 !#
assign (resid 43 and name HA) (resid 43 and name HD#) 4.0 3.2 2.0 !#
assign (resid 43 and name HA) (resid 44 and name HN) 2.5 0.7 0.4
assign (resid 43 and name HB1) (resid 44 and name HN) 4.0 2.2 1.0 !
assign (resid 43 and name HB2) (resid 44 and name HN) 4.0 2.2 1.0 !
assign (resid 43 and name HB1) (resid 45 and name HN) 4.0 2.2 1.0
assign (resid 43 and name HB2) (resid 45 and name HN) 4.0 2.2 1.0

!L44
assign (resid 44 and name HN) (resid 44 and name HA) 3.0 1.2 0.5
assign (resid 44 and name HN) (resid 44 and name HB2) 2.5 1.3 0.4 !#
assign (resid 44 and name HN) (resid 44 and name HB1) 4.0 2.2 1.0 !#
assign (resid 44 and name HN) (resid 44 and name hg) 4.0 1.8 2.0
assign (resid 44 and name HN) (resid 44 and name hd*) 4.0 3.9 2.7 !#
assign (resid 44 and name HA) (resid 44 and name HB1) 2.5 1.7 0.2 !#
assign (resid 44 and name HA) (resid 44 and name hg) 4.0 2.2 1.0
assign (resid 44 and name HA) (resid 44 and name hd*) 2.5 2.4 1.9 !#

assign (resid 44 and name HN) (resid 45 and name HN) 4.0 2.2 1.0
assign (resid 44 and name HN) (resid 45 and name hg2#) 4.0 2.2 2.5
assign (resid 44 and name HN) (resid 46 and name HN) 4.0 1.8 2.0
assign (resid 44 and name HA) (resid 45 and name HN) 4.0 2.2 1.0
assign (resid 44 and name HA) (resid 45 and name HG2#) 4.0 3.7 2.5 !#
assign (resid 44 and name HA) (resid 46 and name HN) 4.0 2.2 1.0
assign (resid 44 and name HA) (resid 47 and name HN) 3.0 1.2 0.5
assign (resid 44 and name HA) (resid 47 and name HB#) 4.0 3.2 2.0 !#
assign (resid 44 and name HA) (resid 47 and name HD#) 3.0 1.2 1.3
assign (resid 44 and name HB1) (resid 45 and name HN) 4.0 2.2 1.0 !
assign (resid 44 and name HB2) (resid 45 and name HN) 4.0 2.2 1.0 !
assign (resid 44 and name hg) (resid 46 and name hn) 4.0 2.2 1.0
assign (resid 44 and name hd*) (resid 45 and name HN) 4.0 4.2 4.4 !
assign (resid 44 and name hd*) (resid 47 and name HB#) 4.0 2.2 4.5 ! !#
assign (resid 44 and name hd*) (resid 47 and name HG#) 4.0 5.2 5.4 ! !#
assign (resid 44 and name hd*) (resid 47 and name HD#) 2.5 4.1 3.6 ! !#
!T45
assign (resid 45 and name HN) (resid 45 and name HA) 3.0 1.2 0.5
assign (resid 45 and name HN) (resid 45 and name HB) 4.0 2.2 1.0
assign (resid 45 and name HN) (resid 45 and name HG2#) 2.5 2.2 1.9 !#
assign (resid 45 and name HA) (resid 45 and name HB) 2.5 0.7 0.2
assign (resid 45 and name HA) (resid 45 and name HG2#) 2.5 1.8 1.3 !#
assign (resid 45 and name HN) (resid 46 and name HN) 4.0 2.2 1.0
assign (resid 45 and name HN) (resid 47 and name HN) 4.0 1.8 2.0
assign (resid 45 and name HA) (resid 46 and name HN) 4.0 2.2 1.0
assign (resid 45 and name HA) (resid 47 and name HN) 4.0 2.2 1.0
assign (resid 45 and name HB) (resid 46 and name HN) 4.0 1.8 2.0
assign (resid 45 and name HB) (resid 47 and name HN) 4.0 1.8 2.0
assign (resid 45 and name HG2#) (resid 46 and name HN) 4.0 3.7 2.5 !
assign (resid 45 and name HG2#) (resid 47 and name HN) 4.0 3.3 3.5 !
!M46
assign (resid 46 and name HN) (resid 46 and name HA) 3.0 1.2 0.5
assign (resid 46 and name HN) (resid 46 and name HB#) 3.0 1.8 1.1 !#
assign (resid 46 and name HN) (resid 46 and name HG#) 4.0 3.2 2.0 !#
assign (resid 46 and name HA) (resid 46 and name HB#) 2.5 1.7 1.2 !#
assign (resid 46 and name HA) (resid 46 and name HG#) 3.0 1.8 0.9 !#
assign (resid 46 and name HN) (resid 47 and name HN) 3.0 1.2 0.5
assign (resid 46 and name HA) (resid 47 and name HN) 3.0 1.2 0.5
assign (resid 46 and name hb#) (resid 47 and name hn) 4.0 2.2 2.0
assign (resid 46 and name hg#) (resid 47 and name hn) 4.0 2.2 2.0
!R47
assign (resid 47 and name HN) (resid 47 and name HA) 4.0 2.2 1.0
assign (resid 47 and name HN) (resid 47 and name HB#) 2.5 1.3 1.0 !#
assign (resid 47 and name HN) (resid 47 and name HG#) 4.0 3.2 2.0 !#
assign (resid 47 and name HN) (resid 47 and name HD#) 4.0 3.2 2.0 !#
assign (resid 47 and name HA) (resid 47 and name HB#) 2.5 1.7 1.2 !#
assign (resid 47 and name HA) (resid 47 and name HG#) 3.0 1.8 0.9 !#
assign (resid 47 and name HA) (resid 47 and name HD#) 3.0 2.2 1.3 !#
assign (resid 47 and name HN) (resid 48 and name HN) 4.0 2.2 1.0
assign (resid 47 and name HA) (resid 48 and name HN) 2.5 0.7 0.4
assign (resid 47 and name HB#) (resid 48 and name HN) 3.0 1.2 1.5
assign (resid 47 and name HG#) (resid 48 and name HN) 4.0 2.2 1.0
!K48
assign (resid 48 and name HN) (resid 48 and name HA) 4.0 2.2 1.0
assign (resid 48 and name HN) (resid 48 and name HB#) 2.5 1.3 1.0 !#
assign (resid 48 and name HN) (resid 48 and name HG#) 4.0 3.2 2.0 !#
assign (resid 48 and name HN) (resid 48 and name HD#) 4.0 3.2 2.0 !#
assign (resid 48 and name HA) (resid 48 and name HB#) 2.5 1.7 1.2 !#
assign (resid 48 and name HA) (resid 48 and name HG#) 4.0 2.8 1.6 !#
assign (resid 48 and name HA) (resid 48 and name HD#) 4.0 3.2 2.0 !#
assign (resid 48 and name HN) (resid 49 and name HN) 4.0 1.8 2.0
assign (resid 48 and name HA) (resid 49 and name HN) 2.5 0.7 0.4
assign (resid 48 and name HA) (resid 50 and name HN) 4.0 1.8 2.0
assign (resid 48 and name HB#) (resid 49 and name HN) 4.0 3.2 2.0 !
assign (resid 48 and name HB#) (resid 50 and name HN) 4.0 3.2 2.0 !
assign (resid 48 and name HG#) (resid 50 and name HN) 4.0 2.8 3.0 !
assign (resid 48 and name hg#) (resid 49 and name hn) 4.0 2.2 2.0
!D49
assign (resid 49 and name HN) (resid 49 and name HA) 3.0 1.2 0.5
assign (resid 49 and name HN) (resid 49 and name HB#) 3.0 1.8 1.1 !#
assign (resid 49 and name HA) (resid 49 and name HB#) 2.5 1.7 1.2 !#
assign (resid 49 and name HN) (resid 50 and name HN) 4.0 2.2 1.0
assign (resid 49 and name HA) (resid 50 and name HN) 3.0 1.2 0.5
assign (resid 49 and name HB#) (resid 50 and name HN) 4.0 2.8 3.0 !
!G50
assign (resid 50 and name HN) (resid 50 and name HA#) 2.5 1.3 1.0 !#
assign (resid 50 and name HN) (resid 51 and name HN) 4.0 2.2 1.0
assign (resid 50 and name HA#) (resid 51 and name HN) 2.5 1.7 1.4 !
!I51
assign (resid 51 and name HN) (resid 51 and name HA) 3.0 1.2 0.5
assign (resid 51 and name HN) (resid 51 and name HB) 2.5 0.7 0.4
assign (resid 51 and name HN) (resid 51 and name HG1#) 3.0 2.2 1.5 !#
assign (resid 51 and name HN) (resid 51 and name HG2#) 2.5 2.2 1.9 !#
assign (resid 51 and name HN) (resid 51 and name HD#) 2.5 2.2 1.9 !#
assign (resid 51 and name HA) (resid 51 and name HB) 3.0 1.2 0.3
assign (resid 51 and name HA) (resid 51 and name HG1#) 2.5 1.3 0.8 !#
assign (resid 51 and name HA) (resid 51 and name HG2#) 2.5 1.8 1.3 !#
assign (resid 51 and name HA) (resid 51 and name HD#) 2.5 2.2 1.7 !#
assign (resid 51 and name HN) (resid 52 and name HN) 4.0 1.8 2.0
assign (resid 51 and name HA) (resid 52 and name HN) 2.5 0.7 0.4
assign (resid 51 and name HB) (resid 52 and name HN) 4.0 2.2 1.0
assign (resid 51 and name HG1#) (resid 52 and name HN) 4.0 3.2 2.0 !
assign (resid 51 and name HG2#) (resid 52 and name HN) 4.0 3.7 2.5 !
assign (resid 51 and name HD#) (resid 52 and name HN) 4.0 3.7 2.5 !
assign (resid 51 and name Hg2#) (resid 53 and name HN) 4.0 1.8 3.5
assign (resid 51 and name hg2#) (resid 52 and name hb#) 4.0 2.2 3.5
assign (resid 51 and name hg2#) (resid 53 and name ha) 4.0 2.2 2.5
assign (resid 51 and name hg2#) (resid 52 and name ha) 4.0 2.2 3.5

!Q52
assign (resid 52 and name HN) (resid 52 and name HA) 3.0 1.2 0.5
assign (resid 52 and name HN) (resid 52 and name HB#) 3.0 1.8 1.1 !#
assign (resid 52 and name HN) (resid 52 and name HG#) 2.5 1.7 1.4 !#
assign (resid 52 and name HA) (resid 52 and name HB#) 2.5 1.7 1.2 !#
assign (resid 52 and name HA) (resid 52 and name HG#) 4.0 2.8 1.6 !#
assign (resid 52 and name HN) (resid 53 and name HN) 4.0 1.8 2.0
assign (resid 52 and name HA) (resid 53 and name HN) 2.5 0.7 0.4
assign (resid 52 and name HB#) (resid 53 and name HN) 3.0 2.2 1.5 !
assign (resid 52 and name HG#) (resid 53 and name HN) 3.0 2.2 1.5 !
!T53
assign (resid 53 and name HN) (resid 53 and name HA) 4.0 2.2 1.0
assign (resid 53 and name HN) (resid 53 and name HB) 4.0 2.2 1.0
assign (resid 53 and name HN) (resid 53 and name HG2#) 3.0 2.7 2.0 !#
assign (resid 53 and name HA) (resid 53 and name HB) 2.5 0.7 0.2
assign (resid 53 and name HA) (resid 53 and name HG2#) 2.5 1.8 1.3 !#
assign (resid 53 and name HA) (resid 54 and name HN) 3.0 1.2 0.5
assign (resid 53 and name HB) (resid 54 and name HN) 3.0 1.2 0.5
assign (resid 53 and name hg2#) (resid 54 and name hn) 3.0 1.2 1.5
!R54
assign (resid 54 and name HN) (resid 54 and name HA) 4.0 1.8 2.0
assign (resid 54 and name HN) (resid 54 and name HB#) 3.0 1.8 1.1 !#
assign (resid 54 and name HN) (resid 54 and name HG#) 4.0 2.8 3.0 !#
assign (resid 54 and name HA) (resid 54 and name HB#) 2.5 1.7 1.2 !#
assign (resid 54 and name HA) (resid 54 and name HG#) 4.0 2.8 1.6 !#
assign (resid 54 and name HA) (resid 54 and name HD#) 4.0 3.2 2.0 !#
assign (resid 54 and name HA) (resid 55 and name HN) 2.5 0.7 0.4
assign (resid 54 and name HA) (resid 56 and name HN) 4.0 1.8 2.0
assign (resid 54 and name HB#) (resid 55 and name HN) 4.0 3.2 2.0 !
!N55
assign (resid 55 and name HN) (resid 55 and name HA) 4.0 2.2 1.0
assign (resid 55 and name HN) (resid 55 and name HB#) 2.5 1.3 1.0 !#
assign (resid 55 and name HA) (resid 56 and name HN) 2.5 0.7 0.4
assign (resid 55 and name HB#) (resid 56 and name HN) 3.0 2.2 1.5 !
!R56
assign (resid 56 and name HN) (resid 56 and name HA) 2.5 0.7 0.4
assign (resid 56 and name HN) (resid 56 and name HB#) 2.5 1.3 1.0 !#
assign (resid 56 and name HN) (resid 56 and name HG#) 4.0 3.2 2.0 !#
assign (resid 56 and name HN) (resid 56 and name HD#) 4.0 2.8 3.0 !#
assign (resid 56 and name HA) (resid 56 and name HB#) 3.0 2.2 1.3 !#
assign (resid 56 and name HA) (resid 56 and name HG#) 4.0 2.8 1.6 !#
assign (resid 56 and name HA) (resid 56 and name HD#) 4.0 3.2 2.0 !#
assign (resid 56 and name HN) (resid 57 and name HN) 4.0 2.2 1.0
!K57
assign (resid 57 and name HN) (resid 57 and name HA) 2.5 0.7 0.4
assign (resid 57 and name HN) (resid 57 and name HB#) 2.5 1.3 1.0 !#
assign (resid 57 and name HN) (resid 57 and name HG#) 4.0 3.2 2.0 !#
assign (resid 57 and name HN) (resid 57 and name HD#) 4.0 3.2 2.0 !#
assign (resid 57 and name HA) (resid 57 and name HB#) 2.5 1.7 1.2 !#
assign (resid 57 and name HA) (resid 57 and name HG#) 2.5 1.3 0.8 !#
assign (resid 57 and name HA) (resid 57 and name HD#) 3.0 2.2 1.3 !#
assign (resid 57 and name HA) (resid 57 and name HE#) 4.0 3.2 2.0 !#
assign (resid 57 and name HN) (resid 58 and name HN) 4.0 2.2 1.0
assign (resid 57 and name HA) (resid 58 and name HN) 3.0 1.2 0.5
assign (resid 57 and name ha) (resid 58 and name hg*) 4.0 2.2 3.5
assign (resid 57 and name HB#) (resid 58 and name HN) 3.0 2.2 1.5 !
assign (resid 57 and name HB#) (resid 60 and name HB#) 4.0 3.8 4.0 ! !#
assign (resid 57 and name HG#) (resid 60 and name HB#) 4.0 4.2 3.0 ! !#
assign (resid 57 and name HG#) (resid 58 and name hn) 4.0 2.2 2.0 ! !#
assign (resid 57 and name HD#) (resid 60 and name HB#) 4.0 4.2 3.0 ! !#
!V58
assign (resid 58 and name HN) (resid 58 and name HA) 2.5 0.7 0.4
assign (resid 58 and name HN) (resid 58 and name HB) 3.0 1.2 0.5
assign (resid 58 and name HN) (resid 58 and name hg*) 2.5 2.4 2.1 !#
assign (resid 58 and name HA) (resid 58 and name HB) 3.0 1.2 0.3
assign (resid 58 and name HA) (resid 58 and name hg*) 2.5 1.3 0.8 !#
assign (resid 58 and name HN) (resid 59 and name HN) 4.0 1.8 2.0
assign (resid 58 and name HA) (resid 59 and name HN) 2.5 0.7 0.4
assign (resid 58 and name HB) (resid 59 and name HN) 4.0 2.2 1.0
assign (resid 58 and name hg*) (resid 59 and name HN) 3.0 3.6 2.9 !
assign (resid 58 and name hg*) (resid 59 and name HB#) 4.0 5.6 4.4 ! !#
assign (resid 58 and name hg*) (resid 59 and name HA) 3.0 3.6 2.7 !

!S59
assign (resid 59 and name HN) (resid 59 and name HA) 4.0 2.2 1.0
assign (resid 59 and name HN) (resid 59 and name HB#) 3.0 1.8 1.1 !#
assign (resid 59 and name HA) (resid 59 and name HB#) 2.5 1.7 1.2 !#
!S60
assign (resid 60 and name HN) (resid 60 and name HA) 4.0 1.8 2.0
assign (resid 60 and name HN) (resid 60 and name HB#) 2.5 1.3 1.0 !#
assign (resid 60 and name HA) (resid 60 and name HB#) 2.5 1.7 1.2 !#
assign (resid 60 and name HA) (resid 61 and name HN) 3.0 1.2 0.5
assign (resid 60 and name HB#) (resid 61 and name HN) 4.0 3.2 2.0 !
!K61
assign (resid 61 and name HN) (resid 61 and name HA) 4.0 2.2 1.0
assign (resid 61 and name HN) (resid 61 and name HB#) 3.0 1.8 1.1 !#
assign (resid 61 and name HN) (resid 61 and name HG#) 4.0 3.2 2.0 !#
assign (resid 61 and name HA) (resid 61 and name HB#) 2.5 1.7 1.2 !#
assign (resid 61 and name HA) (resid 61 and name HG#) 4.0 2.8 1.6 !#
assign (resid 61 and name HA) (resid 61 and name HD#) 4.0 3.2 2.0 !#
!G62
assign (resid 62 and name HN) (resid 62 and name HA#) 2.5 1.3 1.0 !#
assign (resid 62 and name HA#) (resid 63 and name HN) 2.5 1.7 1.4 !
!K63
assign (resid 63 and name HN) (resid 63 and name HA) 2.5 0.7 0.4
assign (resid 63 and name HN) (resid 63 and name HB#) 2.5 1.3 1.0 !#
assign (resid 63 and name HN) (resid 63 and name HG#) 4.0 3.2 2.0 !#
assign (resid 63 and name HA) (resid 63 and name HB#) 2.5 1.7 1.2 !#
assign (resid 63 and name HA) (resid 63 and name HD#) 4.0 3.2 2.0 !#
!K64
!R65
assign (resid 65 and name HN) (resid 65 and name HA) 2.5 0.7 0.4
assign (resid 65 and name HN) (resid 65 and name HB#) 2.5 1.3 1.0 !#
assign (resid 65 and name HN) (resid 65 and name HG#) 4.0 3.2 2.0 !#
assign (resid 65 and name HN) (resid 65 and name HD#) 4.0 2.8 3.0 !#
assign (resid 65 and name HA) (resid 65 and name HB#) 3.0 2.2 1.3 !#
assign (resid 65 and name HA) (resid 65 and name HG#) 4.0 2.8 1.6 !#
assign (resid 65 and name HA) (resid 65 and name HD#) 4.0 3.2 2.0 !#
assign (resid 65 and name HN) (resid 66 and name HN) 4.0 2.2 1.0
assign (resid 65 and name HA) (resid 66 and name HN) 2.5 0.7 0.4
!R66
assign (resid 66 and name HN) (resid 66 and name HA) 4.0 2.2 1.0
assign (resid 66 and name HN) (resid 66 and name HB#) 2.5 1.3 1.0 !#
assign (resid 66 and name HN) (resid 66 and name HG#) 4.0 3.2 2.0 !#
assign (resid 66 and name HN) (resid 66 and name HD#) 4.0 2.8 3.0 !#
assign (resid 66 and name HA) (resid 66 and name HB#) 3.0 2.2 1.3 !#
assign (resid 66 and name HA) (resid 66 and name HG#) 4.0 2.8 1.6 !#
assign (resid 66 and name HA) (resid 66 and name HD#) 4.0 3.2 2.0 !#



5. hbond restraints within protein
assign (resid 5 and name n) (resid 2 and name o) 3.3 0.5 0.2
assign (resid 5 and name hn) (resid 2 and name o) 2.3 0.5 0.2



assign (resid 32 and name n)  (resid 28 and name o) 3.3 0.5 0.2
assign (resid 32 and name hn) (resid 28 and name o) 2.3 0.5 0.2
assign (resid 33 and name n)  (resid 29 and name o) 3.3 0.5 0.2
assign (resid 33 and name hn) (resid 29 and name o) 2.3 0.5 0.2
assign (resid 34 and name n)  (resid 30 and name o) 3.3 0.5 0.2
assign (resid 34 and name hn) (resid 30 and name o) 2.3 0.5 0.2
assign (resid 35 and name n)  (resid 31 and name o) 3.3 0.5 0.2
assign (resid 35 and name hn) (resid 31 and name o) 2.3 0.5 0.2
assign (resid 36 and name n)  (resid 32 and name o) 3.3 0.5 0.2
assign (resid 36 and name hn) (resid 32 and name o) 2.3 0.5 0.2
assign (resid 37 and name n)  (resid 33 and name o) 3.3 0.5 0.2
assign (resid 37 and name hn) (resid 33 and name o) 2.3 0.5 0.2
assign (resid 38 and name n)  (resid 34 and name o) 3.3 0.5 0.2
assign (resid 38 and name hn) (resid 34 and name o) 2.3 0.5 0.2


assign (resid 19 and name n)  (resid 27 and name o) 3.3 0.5 0.2
assign (resid 19 and name hn) (resid 27 and name o) 2.3 0.5 0.2
assign (resid 24 and name n)  (resid 21 and name o) 3.3 0.5 0.2
assign (resid 24 and name hn) (resid 21 and name o) 2.3 0.5 0.2
assign (resid 27 and name n)  (resid 19 and name o) 3.3 0.5 0.2
assign (resid 27 and name hn) (resid 19 and name o) 2.3 0.5 0.2

assign (resid 29 and name n)  (resid 17 and name o) 3.3 0.5 0.2
assign (resid 29 and name hn) (resid 17 and name o) 2.3 0.5 0.2

assign (resid 47 and name n)  (resid 44 and name o) 3.3 0.5 0.2
assign (resid 47 and name hn) (resid 44 and name o) 2.3 0.5 0.2


assign (resid 52 and name ne2) (resid 123 and name o3') 4.0 2.0 0.01
assign (resid 54 and name cz) (resid 113 and name p) 4.5 3.0 0.01
assign (resid 56 and name cz) (resid 126 and name p) 4.5 3.0 0.01
assign (resid 57 and name nz) (resid 109 and name o2) 4.0 2.0 0.01



6. !intermolecular hbond restraints


assign (resid 19 and name nh1) ((resid 107 and name n7) or
                               (resid 107 and name o6) or
                               (resid 108 and name n7) or
                               (resid 106 and name n7) or
                               (resid 125 and name o4)) 2.8 0.4 0.5
assign (resid 19 and name nh2) ((resid 107 and name n7) or
                               (resid 107 and name o6) or
                               (resid 108 and name n7) or
                               (resid 106 and name n7) or
                               (resid 125 and name o4)) 2.8 0.4 0.5

7. !repulsive distance restraints

assign (resid 19 and name nh1) (resid 106 and name n6) 4.1 0.1 100.0
assign (resid 19 and name nh2) (resid 106 and name n6) 4.1 0.1 100.0
assign (resid 19 and name nh1) (resid 108 and name n6) 4.1 0.1 100.0
assign (resid 19 and name nh2) (resid 108 and name n6) 4.1 0.1 100.0
assign (resid 19 and name nh1) (resid 126 and name n4) 4.1 0.1 100.0
assign (resid 19 and name nh2) (resid 126 and name n4) 4.1 0.1 100.0
assign (resid 19 and name nh1) (resid  34 and name nd2) 4.1 0.1 100.0



B. torsion angle restraints

1. protein
!!!phi
!! R2
assign (resid 1 and name c) (resid 2 and name n)
       (resid 2 and name ca) (resid 2 and name c) 1.0 -70.0 30.0 2
!! A3
assign (resid 2 and name c) (resid 3 and name n)
       (resid 3 and name ca) (resid 3 and name c) 1.0 -70.0 30.0 2
!! G4
assign (resid 3 and name c) (resid 4 and name n)
       (resid 4 and name ca) (resid 4 and name c) 1.0 90.0 40.0 2
!! T5
assign (resid 4 and name c) (resid 5 and name n)
       (resid 5 and name ca) (resid 5 and name c) 1.0 -60.0 30.0 2
!! V6
assign (resid 5 and name c) (resid 6 and name n)
       (resid 6 and name ca) (resid 6 and name c) 1.0 -80.0 40.0 2
!! C7
assign (resid 6 and name c) (resid 7 and name n)
       (resid 7 and name ca) (resid 7 and name c) 1.0 -55.0 35.0 2
!! S8
assign (resid 7 and name c) (resid 8 and name n)
       (resid 8 and name ca) (resid 8 and name c) 1.0 -50.0 30.0 2
!! N9
assign (resid 8 and name c) (resid 9 and name n)
       (resid 9 and name ca) (resid 9 and name c) 1.0 -90.0 30.0 2

!! C10

!! Q11

!! T12
assign (resid 11 and name c) (resid 12 and name n)
       (resid 12 and name ca) (resid 12 and name c) 1.0 -60.0 30.0 2

!! S13

!! T14
assign (resid 13 and name c) (resid 14 and name n)
       (resid 14 and name ca) (resid 14 and name c) 1.0 -130.0 40.0 2
!! T15
!! T16
assign (resid 15 and name c) (resid 16 and name n)
        (resid 16 and name ca) (resid 16 and name c) 1.0 -90.0 40.0 2
!! L17
assign (resid 16 and name c) (resid 17 and name n)
        (resid 17 and name ca) (resid 17 and name c) 1.0 -130.0 45.0 2
!! W18
assign (resid 17 and name c) (resid 18 and name n)
        (resid 18 and name ca) (resid 18 and name c) 1.0 -70.0 30.0 2
!! R19
assign (resid 18 and name c) (resid 19 and name n)
       (resid 19 and name ca) (resid 19 and name c) 1.0 -90.0 40.0 2
!! R20
assign (resid 19 and name c) (resid 20 and name n)
       (resid 20 and name ca) (resid 20 and name c) 1.0 -90.0 40.0 2
!! S21
assign (resid 20 and name c) (resid 21 and name n)
       (resid 21 and name ca) (resid 21 and name c) 1.0 -60.0 30.0 2
!! P22
assign (resid 21 and name c) (resid 22 and name n)
       (resid 22 and name ca) (resid 22 and name c) 1.0 -60.0 30.0 2
!! M23
assign (resid 22 and name c) (resid 23 and name n)
       (resid 23 and name ca) (resid 23 and name c) 1.0 -70.0 30.0 2
!! M23
assign (resid 22 and name c) (resid 23 and name n)
       (resid 23 and name ca) (resid 23 and name c) 1.0 -70.0 30.0 2
!! G24
assign (resid 23 and name c) (resid 24 and name n)
       (resid 24 and name ca) (resid 24 and name c) 1.0 110.0 60.0 2

!! D25

!! P26
assign (resid 25 and name c) (resid 26 and name n)
       (resid 26 and name ca) (resid 26 and name c) 1.0 -60.0 30.0 2
!! V27
assign (resid 26 and name c) (resid 27 and name n)
       (resid 27 and name ca) (resid 27 and name c) 1.0 -140.0 30.0 2
!! C28
assign (resid 27 and name c) (resid 28 and name n)
       (resid 28 and name ca) (resid 28 and name c) 1.0 -50.0 30.0 2
!! N29
assign (resid 28 and name c) (resid 29 and name n)
       (resid 29 and name ca) (resid 29 and name c) 1.0 -50.0 35.0 2
!! A30
assign (resid 29 and name c) (resid 30 and name n)
       (resid 30 and name ca) (resid 30 and name c) 1.0 -50.0 35.0 2
!! C31
assign (resid 30 and name c) (resid 31 and name n)
       (resid 31 and name ca) (resid 31 and name c) 1.0 -50.0 30.0 2
!! G32
assign (resid 31 and name c) (resid 32 and name n)
       (resid 32 and name ca) (resid 32 and name c) 1.0 -50.0 30.0 2
!! L33
assign (resid 32 and name c) (resid 33 and name n)
       (resid 33 and name ca) (resid 33 and name c) 1.0 -50.0 30.0 2
!! Y34
assign (resid 33 and name c) (resid 34 and name n)
       (resid 34 and name ca) (resid 34 and name c) 1.0 -50.0 30.0 2
!! Y35
assign (resid 34 and name c) (resid 35 and name n)
       (resid 35 and name ca) (resid 35 and name c) 1.0 -50.0 30.0 2
!! K36
assign (resid 35 and name c) (resid 36 and name n)
       (resid 36 and name ca) (resid 36 and name c) 1.0 -70.0 40.0 2
!! L37
assign (resid 36 and name c) (resid 37 and name n)
       (resid 37 and name ca) (resid 37 and name c) 1.0 -60.0 30.0 2
!! H38
assign (resid 37 and name c) (resid 38 and name n)
       (resid 38 and name ca) (resid 38 and name c) 1.0 -120.0 30.0 2

!! Q39

!! V40
assign (resid 39 and name c) (resid 40 and name n)
       (resid 40 and name ca) (resid 40 and name c) 1.0 -120.0 40.0 2
!! N41
assign (resid 40 and name c) (resid 41 and name n)
       (resid 41 and name ca) (resid 41 and name c) 1.0 -55.0 30.0 2
!! R42
assign (resid 41 and name c) (resid 42 and name n)
       (resid 42 and name ca) (resid 42  and name c) 1.0 -120.0 30.0 2
!! P43
assign (resid 42 and name c) (resid 43 and name n)
       (resid 43 and name ca) (resid 43  and name c) 1.0 -60.0 30.0 2

!! L44

!! T45
assign (resid 44 and name c) (resid 45 and name n)
       (resid 45 and name ca) (resid 45 and name c) 1.0 -75.0 30.0 2
!! M46
assign (resid 45 and name c) (resid 46 and name n)
       (resid 46 and name ca) (resid 46 and name c) 1.0 -80.0 30.0 2
!! R47
assign (resid 46 and name c) (resid 47 and name n)
       (resid 47 and name ca) (resid 47 and name c) 1.0 -50.0 30.0 2
!! K48
assign (resid 47 and name c) (resid 48 and name n)
       (resid 48 and name ca) (resid 48 and name c) 1.0 -130.0 30.0 2
!! D49
assign (resid 48 and name c) (resid 49 and name n)
       (resid 49 and name ca) (resid 49 and name c) 1.0 -60.0 30.0 2
!! G50
assign (resid 49 and name c) (resid 50 and name n)
       (resid 50 and name ca) (resid 50 and name c) 1.0 -110.0 40.0 2
!! I51
assign (resid 50 and name c) (resid 51 and name n)
       (resid 51 and name ca) (resid 51 and name c) 1.0 -60.0 30.0 2
!! Q52
assign (resid 51 and name c) (resid 52 and name n)
       (resid 52 and name ca) (resid 52 and name c) 1.0 -50.0 30.0 2
!! T53
assign (resid 52 and name c) (resid 53 and name n)
       (resid 53 and name ca) (resid 53 and name c) 1.0 -115.0 40.0 2
!! R54
assign (resid 53 and name c) (resid 54 and name n)
       (resid 54 and name ca) (resid 54 and name c) 1.0 -120.0 30.0 2
!! N55
assign (resid 54 and name c) (resid 55 and name n)
       (resid 55 and name ca) (resid 55 and name c) 1.0 -60.0 30.0 2
!! R56
assign (resid 55 and name c) (resid 56 and name n)
       (resid 56 and name ca) (resid 56 and name c) 1.0 -60.0 30.0 2
!! K57
assign (resid 56 and name c) (resid 57 and name n)
       (resid 57 and name ca) (resid 57 and name c) 1.0 -60.0 30.0 2
!! 58
assign (resid 57 and name c) (resid 58 and name n)
       (resid 58 and name ca) (resid 58 and name c) 1.0 -60.0 30.0 2
!! 59
assign (resid 58 and name c) (resid 59 and name n)
       (resid 59 and name ca) (resid 59 and name c) 1.0 -60.0 30.0 2
!! 60
assign (resid 59 and name c) (resid 60 and name n)
       (resid 60 and name ca) (resid 60 and name c) 1.0 -90.0 88.0 2
!! 61
assign (resid 60 and name c) (resid 61 and name n)
       (resid 61 and name ca) (resid 61 and name c) 1.0 -90.0 88.0 2
!! 62
assign (resid 61 and name c) (resid 62 and name n)
       (resid 62 and name ca) (resid 62 and name c) 1.0 -90.0 88.0 2
!! 63
assign (resid 62 and name c) (resid 63 and name n)
       (resid 63 and name ca) (resid 63 and name c) 1.0 -90.0 88.0 2
!! 64
assign (resid 63 and name c) (resid 64 and name n)
       (resid 64 and name ca) (resid 64 and name c) 1.0 -90.0 88.0 2
!! 65
!! 66
assign (resid 65 and name c) (resid 66 and name n)
       (resid 66 and name ca) (resid 66 and name c) 1.0 -90.0 88.0 2


!!!psi
!! R2
assign (resid 2 and name n) (resid 2 and name ca)
       (resid 2 and name c) (resid 3 and name n) 1.0 25.0 75.0 2
!! A3
assign (resid 3 and name n) (resid 3 and name ca)
       (resid 3 and name c) (resid 4 and name n) 1.0 125.0 50.0 2
!! G4
assign (resid 4 and name n) (resid 4 and name ca)
       (resid 4 and name c) (resid 5 and name n) 1.0 0.0 50.0 2
!! T5
assign (resid 5 and name n) (resid 5 and name ca)
       (resid 5 and name c) (resid 6 and name n) 1.0 70.0 50.0 2
!! V6
assign (resid 6 and name n) (resid 6 and name ca)
       (resid 6 and name c) (resid 7 and name n) 1.0 90.0 50.0 2
!! C7
assign (resid 7 and name n) (resid 7 and name ca)
       (resid 7 and name c) (resid 8 and name n) 1.0 140.0 70.0 2
!! S8
assign (resid 8 and name n) (resid 8 and name ca)
       (resid 8 and name c) (resid 9 and name n) 1.0 -50.0 70.0 2
!! N9

!! C10

!! Q11

!! T12
assign (resid 12 and name n) (resid 12 and name ca)
       (resid 12 and name c) (resid 13 and name n) 1.0 150.0 50.0 2

!! S13

!! T14
!! T15
assign (resid 15 and name n) (resid 15 and name ca)
       (resid 15 and name c) (resid 16 and name n) 1.0 150.0 50.0 2
!! T16
assign (resid 16 and name n) (resid 16 and name ca)
       (resid 16 and name c) (resid 17 and name n) 1.0 -20.0 50.0 2
!! L17
assign (resid 17 and name n) (resid 17 and name ca)
       (resid 17 and name c) (resid 18 and name n) 1.0 80.0 50.0 2
!! W18
assign (resid 18 and name n) (resid 18 and name ca)
       (resid 18 and name c) (resid 19 and name n) 1.0 120.0 50.0 2
!! R19
!! R20
assign (resid 20 and name n) (resid 20 and name ca)
       (resid 20 and name c) (resid 21 and name n) 1.0 100.0 50.0 2
!! S21
assign (resid 21 and name n) (resid 21 and name ca)
       (resid 21 and name c) (resid 22 and name n) 1.0 115.0 50.0 2
!! P22
assign (resid 22 and name n) (resid 22 and name ca)
       (resid 22 and name c) (resid 23 and name n) 1.0 -15.0 50.0 2
!! M23
assign (resid 23 and name n) (resid 23 and name ca)
       (resid 23 and name c) (resid 24 and name n) 1.0 -40.0 50.0 2
!! G24
assign (resid 24 and name n) (resid 24 and name ca)
       (resid 24 and name c) (resid 25 and name n) 1.0 50.0 80.0 2

!! D25

!! P26
assign (resid 26 and name n) (resid 26 and name ca)
       (resid 26 and name c) (resid 27 and name n) 1.0 110.0 50.0 2
!! V27
assign (resid 27 and name n) (resid 27 and name ca)
       (resid 27 and name c) (resid 28 and name n) 1.0 120.0 70.0 2
!! C28
assign (resid 28 and name n) (resid 28 and name ca)
       (resid 28 and name c) (resid 29 and name n) 1.0 180.0 50.0 2
!! N29
assign (resid 29 and name n) (resid 29 and name ca)
       (resid 29 and name c) (resid 30 and name n) 1.0 -50.0 50.0 2
!! A30
assign (resid 30 and name n) (resid 30 and name ca)
       (resid 30 and name c) (resid 31 and name n) 1.0 -50.0 50.0 2
!! C31
assign (resid 31 and name n) (resid 31 and name ca)
       (resid 31 and name c) (resid 32 and name n) 1.0 -50.0 50.0 2
!! G32
assign (resid 32 and name n) (resid 32 and name ca)
       (resid 32 and name c) (resid 33 and name n) 1.0 -40.0 50.0 2
!! L33
assign (resid 33 and name n) (resid 33 and name ca)
       (resid 33 and name c) (resid 34 and name n) 1.0 -40.0 50.0 2
!! Y34
assign (resid 34 and name n) (resid 34 and name ca)
       (resid 34 and name c) (resid 35 and name n) 1.0 -50.0 50.0 2
!! Y35
assign (resid 35 and name n) (resid 35 and name ca)
       (resid 35 and name c) (resid 35 and name n) 1.0 -50.0 50.0 2
!! K36
assign (resid 36 and name n) (resid 36 and name ca)
       (resid 36 and name c) (resid 37 and name n) 1.0 -60.0 50.0 2
!! L37
assign (resid 37 and name n) (resid 37 and name ca)
       (resid 37 and name c) (resid 38 and name n) 1.0 -50.0 50.0 2
!! H38
assign (resid 38 and name n) (resid 38 and name ca)
       (resid 38 and name c) (resid 39 and name n) 1.0 -20.0 50.0 2

!! Q39

!! V40
assign (resid 40 and name n) (resid 40 and name ca)
       (resid 40 and name c) (resid 41 and name n) 1.0 180.0 50.0 2
!! N41
assign (resid 41 and name n) (resid 41 and name ca)
       (resid 41 and name c) (resid 42 and name n) 1.0 150.0 50.0 2
!! R42
assign (resid 42 and name n) (resid 42 and name ca)
       (resid 42 and name c) (resid 43 and name n) 1.0 100.0 50.0 2
!! P43
assign (resid 43 and name n) (resid 43 and name ca)
       (resid 43 and name c) (resid 44 and name n) 1.0 100.0 50.0 2

!!! L44

!! T45
assign (resid 45 and name n) (resid 45 and name ca)
       (resid 45 and name c) (resid 46 and name n) 1.0 0.0 50.0 2
!! M46
assign (resid 46 and name n) (resid 46 and name ca)
       (resid 46 and name c) (resid 47 and name n) 1.0 -30.0 50.0 2
!! R47
assign (resid 47 and name n) (resid 47 and name ca)
       (resid 47 and name c) (resid 48 and name n) 1.0 150.0 50.0 2
!! K48
assign (resid 48 and name n) (resid 48 and name ca)
       (resid 48 and name c) (resid 49 and name n) 1.0 180.0 50.0 2
!! D49
assign (resid 49 and name n) (resid 49 and name ca)
       (resid 49 and name c) (resid 50 and name n) 1.0 -50.0 50.0 2
!! G50
assign (resid 50 and name n) (resid 50 and name ca)
       (resid 50 and name c) (resid 51 and name n) 1.0 160.0 50.0 2
!! I51
assign (resid 51 and name n) (resid 51 and name ca)
       (resid 51 and name c) (resid 52 and name n) 1.0 130.0 70.0 2
!! Q52
assign (resid 52 and name n) (resid 52 and name ca)
       (resid 52 and name c) (resid 53 and name n) 1.0 150.0 70.0 2
!! T53
assign (resid 53 and name n) (resid 53 and name ca)
       (resid 53 and name c) (resid 54 and name n) 1.0 140.0 70.0 2
!! R54
assign (resid 54 and name n) (resid 54 and name ca)
       (resid 54 and name c) (resid 55 and name n) 1.0 140.0 70.0 2
!! N55
assign (resid 55 and name n) (resid 55 and name ca)
       (resid 55 and name c) (resid 56 and name n) 1.0 120.0 70.0 2
!! R56
assign (resid 56 and name n) (resid 56 and name ca)
       (resid 56 and name c) (resid 57 and name n) 1.0 120.0 70.0 2
!! K57
assign (resid 57 and name n) (resid 57 and name ca)
       (resid 57 and name c) (resid 58 and name n) 1.0 120.0 70.0 2


!chi1
!Arg 19
!!chi 1
assign (resid 19 and name n)   (resid 19 and name ca)
       (resid 19 and name cb)  (resid 19 and name cg) 1.0 -60.0 20.0 2
!!chi 2
assign (resid 19 and name ca) (resid 19 and name cb)
       (resid 19 and name cg) (resid 19 and name cd) 1.0 -60.0 30.0 2
!!chi 3
assign (resid 19 and name cb) (resid 19 and name cg)
       (resid 19 and name cd) (resid 19 and name ne) 1.0  180.0 30.0 2
!threonines
assign (resid 12 and name n)  (resid 12 and name ca)
       (resid 12 and name cb) (resid 12 and name og1) 1.0 180.0 20.0 2
assign (resid 14 and name n)  (resid 14 and name ca)
       (resid 14 and name cb) (resid 14 and name og1) 1.0 60.0 20.0 2
assign (resid 15 and name n)  (resid 15 and name ca)
       (resid 15 and name cb) (resid 15 and name og1) 1.0 60.0 20.0 2
assign (resid 16 and name n)  (resid 16 and name ca)
       (resid 16 and name cb) (resid 16 and name og1) 1.0 60.0 20.0 2
assign (resid 53 and name n)  (resid 53 and name ca)
       (resid 53 and name cb) (resid 53 and name og1) 1.0 180.0 30.0 2

assign (resid 5 and name n)  (resid 5 and name ca)
       (resid 5 and name cb) (resid 5 and name og1) 1.0 -60.0 20.0 2

!valines
assign (resid 27 and name n)  (resid 27 and name ca)
       (resid 27 and name cb) (resid 27 and name cg1) 1.0 -60.0 20.0 2

assign (resid 40 and name n)  (resid 40 and name ca)
       (resid 40 and name cb) (resid 40 and name cg1) 1.0 -60.0 20.0 2


!ile
assign (resid 51 and name n) (resid 51 and name ca)
       (resid 51 and name cb) (resid 51 and name cg1) 1.0 -60.0 20.0 2



!Ser 8
assign (resid 8 and name n) (resid 8 and name ca)
       (resid 8 and name cb) (resid 8 and name og) 1.0 -65.0 20.0 2

!Asn 9
assign (resid 9 and name n) (resid 9 and name ca)
       (resid 9 and name cb) (resid 9 and name cg) 1.0 -60.0 30.0 2

!Asn 29
assign (resid 29 and name n) (resid 29 and name ca)
       (resid 29 and name cb) (resid 29 and name cg) 1.0 180.0 30.0 2


!Asp 25
assign (resid 25 and name n) (resid 25 and name ca)
       (resid 25 and name cb) (resid 25 and name cg) 1.0 -60.0 30.0 2

!Leu 17
assign (resid 17 and name n) (resid 17 and name ca)
       (resid 17 and name cb) (resid 17 and name cg) 1.0 180.0 30.0 2

!Leu 33
assign (resid 33 and name n) (resid 33 and name ca)
       (resid 33 and name cb) (resid 33 and name cg) 1.0 -60.0 30.0 2

!Tyr 34
assign (resid 34 and name n) (resid 34 and name ca)
       (resid 34 and name cb) (resid 34 and name cg) 1.0 180.0 30.0 2

!Tyr 35
assign (resid 35 and name n) (resid 35 and name ca)
       (resid 35 and name cb) (resid 35 and name cg) 1.0 180.0 30.0 2

!Leu 37
assign (resid 37 and name n) (resid 37 and name ca)
       (resid 37 and name cb) (resid 37 and name cg) 1.0 -60.0 30.0 2

!His 38
assign (resid 38 and name n) (resid 38 and name ca)
       (resid 38 and name cb) (resid 38 and name cg) 1.0 -60.0 30.0 2

!Trp 18
assign (resid 18 and name n) (resid 18 and name ca)
       (resid 18 and name cb) (resid 18 and name cg) 1.0 -60.0 30.0 2

!asn 41
assign (resid 41 and name n) (resid 41 and name ca)
       (resid 41 and name cb) (resid 41 and name cg) 1.0 60.0 30.0 2

!leu 44
assign (resid 44 and name n) (resid 44 and name ca)
       (resid 44 and name cb) (resid 44 and name cg) 1.0 -60.0 30.0 2

!!chi1 of cys
!cys 7
assign (resid 7 and name n) (resid 7 and name ca)
       (resid 7 and name cb) (resid 7 and name sg) 1.0 180.0 30.0 2

assign (resid 10 and name n) (resid 10 and name ca)
       (resid 10 and name cb) (resid 10 and name sg) 1.0 60.0 30.0 2

assign (resid 28 and name n) (resid 28 and name ca)
       (resid 28 and name cb) (resid 28 and name sg) 1.0 60.0 30.0 2

assign (resid 31 and name n) (resid 31 and name ca)
       (resid 31 and name cb) (resid 31 and name sg) 1.0 -60.0 30.0 2


!chi2 of aromatics
assign (resid 34 and name ca) (resid 34 and name cb) 
       (resid 34 and name cg) (resid 34 and name cd1) 1.0 -90.0 30.0 2

assign (resid 35 and name ca) (resid 35 and name cb) 
       (resid 35 and name cg) (resid 35 and name cd1) 1.0 -90.0 30.0 2

assign (resid 38 and name ca) (resid 38 and name cb) 
       (resid 38 and name cg) (resid 38 and name nd1) 1.0 -90.0 30.0 2

!chi2 of ile
assign (resid 51 and name ca) (resid 51 and name cb)
       (resid 51 and name cg1) (resid 51 and name cd1) 1.0 180.0 20.0 2

!chi2 of Leu
!Leu 17
assign (resid 17 and name ca) (resid 17 and name cb)
       (resid 17 and name cg) (resid 17 and name cd1) 1.0 60.0 30.0 2
!Leu 33
assign (resid 33 and name ca) (resid 33 and name cb)
       (resid 33 and name cg) (resid 33 and name cd1) 1.0 180.0 30.0 2
!Leu 37
assign (resid 33 and name ca) (resid 33 and name cb)
       (resid 33 and name cg) (resid 33 and name cd1) 1.0 180.0 30.0 2


!Asn 29
assign (resid 29 and name ca) (resid 29 and name cb)
       (resid 29 and name cg) (resid 29 and name od1) 1.0 -60.0 30.0 2

2. DNA
!dihedral restraints on epsilon, zeta, alpha and beta.
!STRAND 1
assign  (resid  101 and name  c4') (resid  101 and name  c3')
        (resid  101 and name  o3') (resid  102 and name   p ) 1.0 180.0 50.0 2
assign  (resid  101 and name  c3') (resid  101 and name  o3')
        (resid  102 and name   p ) (resid  102 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  101 and name  o3') (resid  102 and name   p )
        (resid  102 and name  o5') (resid  102 and name  c5') 1.0 -70.0  50.0 2
assign  (resid  102 and name   p ) (resid  102 and name  o5')
        (resid  102 and name  c5') (resid  102 and name  c4') 1.0 180.0 50.0 2

assign  (resid  102 and name  c4') (resid  102 and name  c3')
        (resid  102 and name  o3') (resid  103 and name   p ) 1.0 180.0 50.0 2
assign  (resid  102 and name  c3') (resid  102 and name  o3')
        (resid  103 and name   p ) (resid  103 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  102 and name  o3') (resid  103 and name   p )
        (resid  103 and name  o5') (resid  103 and name  c5') 1.0 -70.0  50.0 2
assign  (resid  103 and name   p ) (resid  103 and name  o5')
        (resid  103 and name  c5') (resid  103 and name  c4') 1.0 180.0 50.0 2

assign  (resid  103 and name  c4') (resid  103 and name  c3')
        (resid  103 and name  o3') (resid  104 and name   p ) 1.0 180.0 50.0 2
assign  (resid  103 and name  c3') (resid  103 and name  o3')
        (resid  104 and name   p ) (resid  104 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  103 and name  o3') (resid  104 and name   p )
        (resid  104 and name  o5') (resid  104 and name  c5') 1.0 -70.0  50.0 2
assign  (resid  104 and name   p ) (resid  104 and name  o5')
        (resid  104 and name  c5') (resid  104 and name  c4') 1.0 180.0 50.0 2

assign  (resid  104 and name  c4') (resid  104 and name  c3')
        (resid  104 and name  o3') (resid  105 and name   p ) 1.0 180.0 50.0 2
assign  (resid  104 and name  c3') (resid  104 and name  o3')
        (resid  105 and name   p ) (resid  105 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  104 and name  o3') (resid  105 and name   p )
        (resid  105 and name  o5') (resid  105 and name  c5') 1.0 -70.0  50.0 2
assign  (resid  105 and name   p ) (resid  105 and name  o5')
        (resid  105 and name  c5') (resid  105 and name  c4') 1.0 180.0 50.0 2

assign  (resid  105 and name  c4') (resid  105 and name  c3')
        (resid  105 and name  o3') (resid  106 and name   p ) 1.0 180.0 50.0 2
assign  (resid  105 and name  c3') (resid  105 and name  o3')
        (resid  106 and name   p ) (resid  106 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  105 and name  o3') (resid  106 and name   p )
        (resid  106 and name  o5') (resid  106 and name  c5') 1.0 -70.0  50.0 2
assign  (resid  106 and name   p ) (resid  106 and name  o5')
        (resid  106 and name  c5') (resid  106 and name  c4') 1.0 180.0 50.0 2

assign  (resid  106 and name  c4') (resid  106 and name  c3')
        (resid  106 and name  o3') (resid  107 and name   p ) 1.0 180.0 50.0 2
assign  (resid  106 and name  c3') (resid  106 and name  o3')
        (resid  107 and name   p ) (resid  107 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  106 and name  o3') (resid  107 and name   p )
        (resid  107 and name  o5') (resid  107 and name  c5') 1.0 -70.0  50.0 2
assign  (resid  107 and name   p ) (resid  107 and name  o5')
        (resid  107 and name  c5') (resid  107 and name  c4') 1.0 180.0 50.0 2


assign  (resid  107 and name  c4') (resid  107 and name  c3')
        (resid  107 and name  o3') (resid  108 and name   p ) 1.0 180.0 50.0 2
assign  (resid  107 and name  c3') (resid  107 and name  o3')
        (resid  108 and name   p ) (resid  108 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  107 and name  o3') (resid  108 and name   p )
        (resid  108 and name  o5') (resid  108 and name  c5') 1.0 -70.0  50.0 2
assign  (resid  108 and name   p ) (resid  108 and name  o5')
        (resid  108 and name  c5') (resid  108 and name  c4') 1.0 180.0 50.0 2

assign  (resid  108 and name  c4') (resid  108 and name  c3')
        (resid  108 and name  o3') (resid  109 and name   p ) 1.0 180.0 50.0 2
assign  (resid  108 and name  c3') (resid  108 and name  o3')
        (resid  109 and name   p ) (resid  109 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  108 and name  o3') (resid  109 and name   p )
        (resid  109 and name  o5') (resid  109 and name  c5') 1.0 -70.0  50.0 2
assign  (resid  109 and name   p ) (resid  109 and name  o5')
        (resid  109 and name  c5') (resid  109 and name  c4') 1.0 180.0 50.0 2

assign  (resid  109 and name  c4') (resid  109 and name  c3')
        (resid  109 and name  o3') (resid 110 and name   p ) 1.0 180.0 50.0 2
assign  (resid  109 and name  c3') (resid  109 and name  o3')
        (resid 110 and name   p ) (resid 110 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  109 and name  o3') (resid 110 and name   p )
        (resid 110 and name  o5') (resid 110 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 110 and name   p ) (resid 110 and name  o5')
        (resid 110 and name  c5') (resid 110 and name  c4') 1.0 180.0 50.0 2

assign  (resid 110 and name  c4') (resid 110 and name  c3')
        (resid 110 and name  o3') (resid 111 and name   p ) 1.0 180.0 50.0 2
assign  (resid 110 and name  c3') (resid 110 and name  o3')
        (resid 111 and name   p ) (resid 111 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 110 and name o3')  (resid 111 and name   p )
        (resid 111 and name  o5') (resid 111 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 111 and name   p ) (resid 111 and name  o5')
        (resid 111 and name  c5') (resid 111 and name  c4') 1.0 180.0 50.0 2

assign  (resid 111 and name  c4') (resid 111 and name  c3')
        (resid 111 and name  o3') (resid 112 and name   p ) 1.0 180.0 50.0 2
assign  (resid 111 and name  c3') (resid 111 and name  o3')
        (resid 112 and name   p ) (resid 112 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 111 and name  o3') (resid 112 and name   p )
        (resid 112 and name  o5') (resid 112 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 112 and name   p ) (resid 112 and name  o5')
        (resid 112 and name  c5') (resid 112 and name  c4') 1.0 180.0 50.0 2

assign  (resid 112 and name  c4') (resid 112 and name  c3')
        (resid 112 and name  o3') (resid 113 and name   p ) 1.0 180.0 50.0 2
assign  (resid 112 and name  c3') (resid 112 and name  o3')
        (resid 113 and name   p ) (resid 113 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 112 and name  o3') (resid 113 and name   p )
        (resid 113 and name  o5') (resid 113 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 113 and name   p ) (resid 113 and name  o5')
        (resid 113 and name  c5') (resid 113 and name  c4') 1.0 180.0 50.0 2

assign  (resid 113 and name  c4') (resid 113 and name  c3')
        (resid 113 and name  o3') (resid 114 and name   p ) 1.0 180.0 50.0 2
assign  (resid 113 and name  c3') (resid 113 and name  o3')
        (resid 114 and name   p ) (resid 114 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 113 and name  o3') (resid 114 and name   p )
        (resid 114 and name  o5') (resid 114 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 114 and name   p ) (resid 114 and name  o5')
        (resid 114 and name  c5') (resid 114 and name  c4') 1.0 180.0 50.0 2

assign  (resid 114 and name  c4') (resid 114 and name  c3')
        (resid 114 and name  o3') (resid 115 and name   p ) 1.0 180.0 50.0 2
assign  (resid 114 and name  c3') (resid 114 and name  o3')
        (resid 115 and name   p ) (resid 115 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 114 and name  o3') (resid 115 and name   p )
        (resid 115 and name  o5') (resid 115 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 115 and name   p ) (resid 115 and name  o5')
        (resid 115 and name  c5') (resid 115 and name  c4') 1.0 180.0 50.0 2

assign  (resid 115 and name  c4') (resid 115 and name  c3')
        (resid 115 and name  o3') (resid 116 and name   p ) 1.0 180.0 50.0 2
assign  (resid 115 and name  c3') (resid 115 and name  o3')
        (resid 116 and name   p ) (resid 116 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 115 and name  o3') (resid 116 and name   p )
        (resid 116 and name  o5') (resid 116 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 116 and name   p ) (resid 116 and name  o5')
        (resid 116 and name  c5') (resid 116 and name  c4') 1.0 180.0 50.0 2



!Strand 2

assign  (resid 117 and name  c4') (resid 117 and name  c3')
        (resid 117 and name  o3') (resid 118 and name   p ) 1.0 180.0 50.0 2
assign  (resid 117 and name  c3') (resid 117 and name  o3')
        (resid 118 and name   p ) (resid 118 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 117 and name  o3') (resid 118 and name   p )
        (resid 118 and name  o5') (resid 118 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 118 and name   p ) (resid 118 and name  o5')
        (resid 118 and name  c5') (resid 118 and name  c4') 1.0 180.0 50.0 2

assign  (resid 118 and name  c4') (resid 118 and name  c3')
        (resid 118 and name  o3') (resid 119 and name   p ) 1.0 180.0 50.0 2
assign  (resid 118 and name  c3') (resid 118 and name  o3')
        (resid 119 and name   p ) (resid 119 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 118 and name  o3') (resid 119 and name   p )
        (resid 119 and name  o5') (resid 119 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 119 and name   p ) (resid 119 and name  o5')
        (resid 119 and name  c5') (resid 119 and name  c4') 1.0 180.0 50.0 2

assign  (resid 119 and name  c4') (resid 119 and name  c3')
        (resid 119 and name  o3') (resid 120 and name   p ) 1.0 180.0 50.0 2
assign  (resid 119 and name  c3') (resid 119 and name  o3')
        (resid 120 and name   p ) (resid 120 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 119 and name  o3') (resid 120 and name   p )
        (resid 120 and name  o5') (resid 120 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 120 and name   p ) (resid 120 and name  o5')
        (resid 120 and name  c5') (resid 120 and name  c4') 1.0 180.0 50.0 2

assign  (resid 120 and name  c4') (resid 120 and name  c3')
        (resid 120 and name  o3') (resid 121 and name   p ) 1.0 180.0 50.0 2
assign  (resid 120 and name  c3') (resid 120 and name  o3')
        (resid 121 and name   p ) (resid 121 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 120 and name  o3') (resid 121 and name   p )
        (resid 121 and name  o5') (resid 121 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 121 and name   p ) (resid 121 and name  o5')
        (resid 121 and name  c5') (resid 121 and name  c4') 1.0 180.0 50.0 2

assign  (resid 121 and name  c4') (resid 121 and name  c3')
        (resid 121 and name  o3') (resid 122 and name   p ) 1.0 180.0 50.0 2
assign  (resid 121 and name  c3') (resid 121 and name  o3')
        (resid 122 and name   p ) (resid 122 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 121 and name  o3') (resid 122 and name   p )
        (resid 122 and name  o5') (resid 122 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 122 and name   p ) (resid 122 and name  o5')
        (resid 122 and name  c5') (resid 122 and name  c4') 1.0 180.0 50.0 2

assign  (resid 122 and name  c4') (resid 122 and name  c3')
        (resid 122 and name  o3') (resid 123 and name   p ) 1.0 180.0 50.0 2
assign  (resid 122 and name  c3') (resid 122 and name  o3')
        (resid 123 and name   p ) (resid 123 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 122 and name  o3') (resid 123 and name   p )
        (resid 123 and name  o5') (resid 123 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 123 and name   p ) (resid 123 and name  o5')
        (resid 123 and name  c5') (resid 123 and name  c4') 1.0 180.0 50.0 2

assign  (resid 123 and name  c4') (resid 123 and name  c3')
        (resid 123 and name  o3') (resid 124 and name   p ) 1.0 180.0 50.0 2
assign  (resid 123 and name  c3') (resid 123 and name  o3')
        (resid 124 and name   p ) (resid 124 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 123 and name  o3') (resid 124 and name   p )
        (resid 124 and name  o5') (resid 124 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 124 and name   p ) (resid 124 and name  o5')
        (resid 124 and name  c5') (resid 124 and name  c4') 1.0 180.0 50.0 2

assign  (resid 124 and name  c4') (resid 124 and name  c3')
        (resid 124 and name  o3') (resid 125 and name   p ) 1.0 180.0 50.0 2
assign  (resid 124 and name  c3') (resid 124 and name  o3')
        (resid 125 and name   p ) (resid 125 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 124 and name  o3') (resid 125 and name   p )
        (resid 125 and name  o5') (resid 125 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 125 and name   p ) (resid 125 and name  o5')
        (resid 125 and name  c5') (resid 125 and name  c4') 1.0 180.0 50.0 2

assign  (resid 125 and name  c4') (resid 125 and name  c3')
        (resid 125 and name  o3') (resid 126 and name   p ) 1.0 180.0 50.0 2
assign  (resid 125 and name  c3') (resid 125 and name  o3')
        (resid 126 and name   p ) (resid 126 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 125 and name  o3') (resid 126 and name   p )
        (resid 126 and name  o5') (resid 126 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 126 and name   p ) (resid 126 and name  o5')
        (resid 126 and name  c5') (resid 126 and name  c4') 1.0 180.0 50.0 2

assign  (resid 126 and name  c4') (resid 126 and name  c3')
        (resid 126 and name  o3') (resid 127 and name   p ) 1.0 180.0 50.0 2
assign  (resid 126 and name  c3') (resid 126 and name  o3')
        (resid 127 and name   p ) (resid 127 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 126 and name  o3') (resid 127 and name   p )
        (resid 127 and name  o5') (resid 127 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 127 and name   p ) (resid 127 and name  o5')
        (resid 127 and name  c5') (resid 127 and name  c4') 1.0 180.0 50.0 2

assign  (resid 127 and name  c4') (resid 127 and name  c3')
        (resid 127 and name  o3') (resid 128 and name   p ) 1.0 180.0 50.0 2
assign  (resid 127 and name  c3') (resid 127 and name  o3')
        (resid 128 and name   p ) (resid 128 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 127 and name  o3') (resid 128 and name   p )
        (resid 128 and name  o5') (resid 128 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 128 and name   p ) (resid 128 and name  o5')
        (resid 128 and name  c5') (resid 128 and name  c4') 1.0 180.0 50.0 2

assign  (resid 128 and name  c4') (resid 128 and name  c3')
        (resid 128 and name  o3') (resid 129 and name   p ) 1.0 180.0 50.0 2
assign  (resid 128 and name  c3') (resid 128 and name  o3')
        (resid 129 and name   p ) (resid 129 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 128 and name  o3') (resid 129 and name   p )
        (resid 129 and name  o5') (resid 129 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 129 and name   p ) (resid 129 and name  o5')
        (resid 129 and name  c5') (resid 129 and name  c4') 1.0 180.0 50.0 2

assign  (resid 129 and name  c4') (resid 129 and name  c3')
        (resid 129 and name  o3') (resid 130 and name   p ) 1.0 180.0 50.0 2
assign  (resid 129 and name  c3') (resid 129 and name  o3')
        (resid 130 and name   p ) (resid 130 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 129 and name  o3') (resid 130 and name   p )
        (resid 130 and name  o5') (resid 130 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 130 and name   p ) (resid 130 and name  o5')
        (resid 130 and name  c5') (resid 130 and name  c4') 1.0 180.0 50.0 2

assign  (resid 130 and name  c4') (resid 130 and name  c3')
        (resid 130 and name  o3') (resid 131 and name   p ) 1.0 180.0 50.0 2
assign  (resid 130 and name  c3') (resid 130 and name  o3')
        (resid 131 and name   p ) (resid 131 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 130 and name  o3') (resid 131 and name   p )
        (resid 131 and name  o5') (resid 131 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 131 and name   p ) (resid 131 and name  o5')
        (resid 131 and name  c5') (resid 131 and name  c4') 1.0 180.0 50.0 2

assign  (resid 131 and name  c4') (resid 131 and name  c3')
        (resid 131 and name  o3') (resid 132 and name   p ) 1.0 180.0 50.0 2
assign  (resid 131 and name  c3') (resid 131 and name  o3')
        (resid 132 and name   p ) (resid 132 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 131 and name  o3') (resid 132 and name   p )
        (resid 132 and name  o5') (resid 132 and name  c5') 1.0 -70.0  50.0 2
assign  (resid 132 and name   p ) (resid 132 and name  o5')
        (resid 132 and name  c5') (resid 132 and name  c4') 1.0 180.0 50.0 2


!dihedral restrainst on delta from 1'2' coupling constants
!constrained to greater than 110
assign (resid 101 and name c5') (resid 101 and name c4')
       (resid 101 and name c3') (resid 101 and name o3')    1.0  140.0 30.0 2
assign (resid 102 and name c5') (resid 102 and name c4')
       (resid 102 and name c3') (resid 102 and name o3')    1.0  140.0 30.0 2
assign (resid 103 and name c5') (resid 103 and name c4')
       (resid 103 and name c3') (resid 103 and name o3')    1.0  140.0 30.0 2
assign (resid 104 and name c5') (resid 104 and name c4')
       (resid 104 and name c3') (resid 104 and name o3')    1.0  140.0 30.0 2
assign (resid 105 and name c5') (resid 105 and name c4')
       (resid 105 and name c3') (resid 105 and name o3')    1.0  140.0 30.0 2
assign (resid 106 and name c5') (resid 106 and name c4')
       (resid 106 and name c3') (resid 106 and name o3')    1.0  140.0 30.0 2
assign (resid 107 and name c5') (resid 107 and name c4')
       (resid 107 and name c3') (resid 107 and name o3')    1.0  140.0 30.0 2
assign (resid 108 and name c5') (resid 108 and name c4')
       (resid 108 and name c3') (resid 108 and name o3')    1.0  140.0 30.0 2
assign (resid 109 and name c5') (resid 109 and name c4')
       (resid 109 and name c3') (resid 109 and name o3')    1.0  140.0 30.0 2
assign (resid 110 and name c5') (resid 110 and name c4')
       (resid 110 and name c3') (resid 110 and name o3')    1.0  140.0 30.0 2
assign (resid 111 and name c5') (resid 111 and name c4')
       (resid 111 and name c3') (resid 111 and name o3')    1.0  140.0 30.0 2
assign (resid 112 and name c5') (resid 112 and name c4')
       (resid 112 and name c3') (resid 112 and name o3')    1.0  140.0 30.0 2
assign (resid 113 and name c5') (resid 113 and name c4')
       (resid 113 and name c3') (resid 113 and name o3')    1.0  140.0 30.0 2
assign (resid 114 and name c5') (resid 114 and name c4')
       (resid 114 and name c3') (resid 114 and name o3')    1.0  140.0 30.0 2
assign (resid 115 and name c5') (resid 115 and name c4')
       (resid 115 and name c3') (resid 115 and name o3')    1.0  140.0 30.0 2
assign (resid 116 and name c5') (resid 116 and name c4')
       (resid 116 and name c3') (resid 116 and name o3')    1.0  140.0 30.0 2
assign (resid 117 and name c5') (resid 117 and name c4')
       (resid 117 and name c3') (resid 117 and name o3')    1.0  140.0 30.0 2
assign (resid 118 and name c5') (resid 118 and name c4')
       (resid 118 and name c3') (resid 118 and name o3')    1.0  140.0 30.0 2
assign (resid 119 and name c5') (resid 119 and name c4')
       (resid 119 and name c3') (resid 119 and name o3')    1.0  140.0 30.0 2
assign (resid 120 and name c5') (resid 120 and name c4')
       (resid 120 and name c3') (resid 120 and name o3')    1.0  140.0 30.0 2
assign (resid 121 and name c5') (resid 121 and name c4')
       (resid 121 and name c3') (resid 121 and name o3')    1.0  140.0 30.0 2
assign (resid 122 and name c5') (resid 122 and name c4')
       (resid 122 and name c3') (resid 122 and name o3')    1.0  140.0 30.0 2
assign (resid 123 and name c5') (resid 123 and name c4')
       (resid 123 and name c3') (resid 123 and name o3')    1.0  140.0 30.0 2
assign (resid 124 and name c5') (resid 124 and name c4')
       (resid 124 and name c3') (resid 124 and name o3')    1.0  140.0 30.0 2
assign (resid 125 and name c5') (resid 125 and name c4')
       (resid 125 and name c3') (resid 125 and name o3')    1.0  140.0 30.0 2
assign (resid 126 and name c5') (resid 126 and name c4')
       (resid 126 and name c3') (resid 126 and name o3')    1.0  140.0 30.0 2
assign (resid 127 and name c5') (resid 127 and name c4')
       (resid 127 and name c3') (resid 127 and name o3')    1.0  140.0 30.0 2
assign (resid 128 and name c5') (resid 128 and name c4')
       (resid 128 and name c3') (resid 128 and name o3')    1.0  140.0 30.0 2
assign (resid 129 and name c5') (resid 129 and name c4')
       (resid 129 and name c3') (resid 129 and name o3')    1.0  140.0 30.0 2
assign (resid 130 and name c5') (resid 130 and name c4')
       (resid 130 and name c3') (resid 130 and name o3')    1.0  140.0 30.0 2
assign (resid 131 and name c5') (resid 131 and name c4')
       (resid 131 and name c3') (resid 131 and name o3')    1.0  140.0 30.0 2
assign (resid 132 and name c5') (resid 132 and name c4')
       (resid 132 and name c3') (resid 132 and name o3')    1.0  140.0 30.0 2


!constraints on gamma: 60 +/-30
assign (resid 101 and name o5') (resid 101 and name c5')
       (resid 101 and name c4') (resid 101 and name c3')   1.0 60.0 35.0 4
assign (resid 102 and name o5') (resid 102 and name c5')
       (resid 102 and name c4') (resid 102 and name c3')   1.0 60.0 35.0 4
assign (resid 103 and name o5') (resid 103 and name c5')
        (resid 103 and name c4') (resid 103 and name c3')   1.0 60.0 35.0 4
assign (resid 104 and name o5') (resid 104 and name c5')
       (resid 104 and name c4') (resid 104 and name c3')   1.0 60.0 35.0 4
assign (resid 105 and name o5') (resid 105 and name c5')
       (resid 105 and name c4') (resid 105 and name c3')   1.0 60.0 35.0 4
assign (resid 106 and name o5') (resid 106 and name c5')
       (resid 106 and name c4') (resid 106 and name c3')   1.0 60.0 35.0 4
assign (resid 107 and name o5') (resid 107 and name c5')
       (resid 107 and name c4') (resid 107 and name c3')   1.0 60.0 35.0 4
assign (resid 108 and name o5') (resid 108 and name c5')
       (resid 108 and name c4') (resid 108 and name c3')   1.0 60.0 35.0 4
assign (resid 109 and name o5') (resid 109 and name c5')
       (resid 109 and name c4') (resid 109 and name c3')   1.0 60.0 35.0 4
assign (resid 110 and name o5') (resid 110 and name c5')
       (resid 110 and name c4') (resid 110 and name c3')   1.0 60.0 35.0 4
assign (resid 111 and name o5') (resid 111 and name c5')
       (resid 111 and name c4') (resid 111 and name c3')   1.0 60.0 35.0 4
assign (resid 112 and name o5') (resid 112 and name c5')
       (resid 112 and name c4') (resid 112 and name c3')   1.0 60.0 35.0 4
assign (resid 113 and name o5') (resid 113 and name c5')
       (resid 113 and name c4') (resid 113 and name c3')   1.0 60.0 35.0 4
assign (resid 114 and name o5') (resid 114 and name c5')
       (resid 114 and name c4') (resid 114 and name c3')   1.0 60.0 35.0 4
assign (resid 115 and name o5') (resid 115 and name c5')
       (resid 115 and name c4') (resid 115 and name c3')   1.0 60.0 35.0 4
assign (resid 116 and name o5') (resid 116 and name c5')
       (resid 116 and name c4') (resid 116 and name c3')   1.0 60.0 35.0 4
assign (resid 117 and name o5') (resid 117 and name c5')
       (resid 117 and name c4') (resid 117 and name c3')   1.0 60.0 35.0 4
assign (resid 118 and name o5') (resid 118 and name c5')
       (resid 118 and name c4') (resid 118 and name c3')   1.0 60.0 35.0 4
assign (resid 119 and name o5') (resid 119 and name c5')
       (resid 119 and name c4') (resid 119 and name c3')   1.0 60.0 35.0 4
assign (resid 120 and name o5') (resid 120 and name c5')
       (resid 120 and name c4') (resid 120 and name c3')   1.0 60.0 35.0 4
assign (resid 121 and name o5') (resid 121 and name c5')
       (resid 121 and name c4') (resid 121 and name c3')   1.0 60.0 35.0 4
assign (resid 122 and name o5') (resid 122 and name c5')
       (resid 122 and name c4') (resid 122 and name c3')   1.0 60.0 35.0 4
assign (resid 123 and name o5') (resid 123 and name c5')
       (resid 123 and name c4') (resid 123 and name c3')   1.0 60.0 35.0 4
assign (resid 124 and name o5') (resid 124 and name c5')
       (resid 124 and name c4') (resid 124 and name c3')   1.0 60.0 35.0 4
assign (resid 125 and name o5') (resid 125 and name c5')
       (resid 125 and name c4') (resid 125 and name c3')   1.0 60.0 35.0 4
assign (resid 126 and name o5') (resid 126 and name c5')
       (resid 126 and name c4') (resid 126 and name c3')   1.0 60.0 35.0 4
assign (resid 127 and name o5') (resid 127 and name c5')
       (resid 127 and name c4') (resid 127 and name c3')   1.0 60.0 35.0 4
assign (resid 128 and name o5') (resid 128 and name c5')
       (resid 128 and name c4') (resid 128 and name c3')   1.0 60.0 35.0 4
assign (resid 129 and name o5') (resid 129 and name c5')
       (resid 129 and name c4') (resid 129 and name c3')   1.0 60.0 35.0 4
assign (resid 130 and name o5') (resid 130 and name c5')
       (resid 130 and name c4') (resid 130 and name c3')   1.0 60.0 35.0 4
assign (resid 131 and name o5') (resid 131 and name c5')
       (resid 131 and name c4') (resid 131 and name c3')   1.0 60.0 35.0 4
assign (resid 132 and name o5') (resid 132 and name c5')
       (resid 132 and name c4') (resid 132 and name c3')   1.0 60.0 35.0 4


C. Residual dipolar couplings

1. One bond NH residual dipolar couplings


assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 2    and name N   )
       ( resid 2    and name HN  )  -0.2201  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 3    and name N   )
       ( resid 3    and name HN  )  0.3715  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 4    and name N   )
       ( resid 4    and name HN  )  -0.2199  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 5    and name N   )
       ( resid 5    and name HN  )  -0.4512  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 6    and name N   )
       ( resid 6    and name HN  )  -0.0932  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 7    and name N   )
       ( resid 7    and name HN  )  -0.1187  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 8    and name N   )
       ( resid 8    and name HN  )  -0.3439  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 9    and name N   )
       ( resid 9    and name HN  )  -0.8527  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 10   and name N   )
       ( resid 10   and name HN  )  -0.0554  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 11   and name N   )
       ( resid 11   and name HN  )  -0.0490  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 12   and name N   )
       ( resid 12   and name HN  )  -0.2258  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 13   and name N   )
       ( resid 13   and name HN  )  0.4395  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 14   and name N   )
       ( resid 14   and name HN  )  0.6019  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 15   and name N   )
       ( resid 15   and name HN  )  0.7189  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 16   and name N   )
       ( resid 16   and name HN  )  0.6406  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 17   and name N   )
       ( resid 17   and name HN  )  0.4931  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 18   and name N   )
       ( resid 18   and name HN  )  0.6228  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 19   and name N   )
       ( resid 19   and name HN  )  -0.1414  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 20   and name N   )
       ( resid 20   and name HN  )  -0.5059  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 21   and name N   )
       ( resid 21   and name HN  )  -0.1733  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 23   and name N   )
       ( resid 23   and name HN  )  0.5289  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 24   and name N   )
       ( resid 24   and name HN  )  0.7477  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 25   and name N   )
       ( resid 25   and name HN  )  0.4702  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 27   and name N   )
       ( resid 27   and name HN  )  -0.1664  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 28   and name N   )
       ( resid 28   and name HN  )  0.0571  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 29   and name N   )
       ( resid 29   and name HN  )  -0.3545  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 30   and name N   )
       ( resid 30   and name HN  )  -0.6859  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 31   and name N   )
       ( resid 31   and name HN  )  -0.4536  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 32   and name N   )
       ( resid 32   and name HN  )  -0.7245  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 33   and name N   )
       ( resid 33   and name HN  )  -0.9791  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 34   and name N   )
       ( resid 34   and name HN  )  -0.7704  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 35   and name N   )
       ( resid 35   and name HN  )  -0.1569  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 36   and name N   )
       ( resid 36   and name HN  )  -0.7235  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 37   and name N   )
       ( resid 37   and name HN  )  -1.0054  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 39   and name N   )
       ( resid 39   and name HN  )  -0.1068  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 40   and name N   )
       ( resid 40   and name HN  )  -1.0270  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 41   and name N   )
       ( resid 41   and name HN  )  -1.1320  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 42   and name N   )
       ( resid 42   and name HN  )  0.6300  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 44   and name N   )
       ( resid 44   and name HN  )  -0.9017  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 45   and name N   )
       ( resid 45   and name HN  )  -1.1062  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 46   and name N   )
       ( resid 46   and name HN  )  -0.1737  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 47   and name N   )
       ( resid 47   and name HN  )  -0.8292  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 48   and name N   )
       ( resid 48   and name HN  )  0.1501  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 49   and name N   )
       ( resid 49   and name HN  )  0.8638  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 50   and name N   )
       ( resid 50   and name HN  )  0.3775  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 51   and name N   )
       ( resid 51   and name HN  )  -0.1700  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 52   and name N   )
       ( resid 52   and name HN  )  -0.6513  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 53   and name N   )
       ( resid 53   and name HN  )  0.4706  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 54   and name N   )
       ( resid 54   and name HN  )  1.4590  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 55   and name N   )
       ( resid 55   and name HN  )  1.4801  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 57   and name N   )
       ( resid 57   and name HN  )  -0.1464  0.2000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 59   and name N   )
       ( resid 59   and name HN  )  -0.1430  0.2000


2. One bond residual CH dipolar couplings


assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 1    and name CA  )
       ( resid 1    and name HA  )  0.7988  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 3    and name CA  )
       ( resid 3    and name HA  )  0.8026  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 6    and name CA  )
       ( resid 6    and name HA  )  0.2877  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 7    and name CA  )
       ( resid 7    and name HA  )  0.2777  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 8    and name CA  )
       ( resid 8    and name HA  )  0.4507  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 9    and name CA  )
       ( resid 9    and name HA  )  -0.2765  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 10   and name CA  )
       ( resid 10   and name HA  )  0.0524  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 12   and name CA  )
       ( resid 12   and name HA  )  0.3844  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 13   and name CA  )
       ( resid 13   and name HA  )  -0.0380  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 14   and name CA  )
       ( resid 14   and name HA  )  2.0605  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 16   and name CA  )
       ( resid 16   and name HA  )  -0.1866  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 18   and name CA  )
       ( resid 18   and name HA  )  1.0902  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 19   and name CA  )
       ( resid 19   and name HA  )  -0.1577  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 20   and name CA  )
       ( resid 20   and name HA  )  -0.9850  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 21   and name CA  )
       ( resid 21   and name HA  )  1.1933  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 22   and name CA  )
       ( resid 22   and name HA  )  0.3577  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 25   and name CA  )
       ( resid 25   and name HA  )  1.3375  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 26   and name CA  )
       ( resid 26   and name HA  )  0.0150  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 27   and name CA  )
       ( resid 27   and name HA  )  -0.5538  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 29   and name CA  )
       ( resid 29   and name HA  )  0.7622  0.4000

!assign ( resid 300  and name CA  )
!       ( resid 300  and name CB  )
!       ( resid 30   and name CA  )
!       ( resid 30   and name HA  )  -0.3709  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 33   and name CA  )
       ( resid 33   and name HA  )  0.0229  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 36   and name CA  )
       ( resid 36   and name HA  )  0.7193  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 37   and name CA  )
       ( resid 37   and name HA  )  -0.5558  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 39   and name CA  )
       ( resid 39   and name HA  )  1.6922  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 41   and name CA  )
       ( resid 41   and name HA  )  0.7679  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 44   and name CA  )
       ( resid 44   and name HA  )  0.8393  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 45   and name CA  )
       ( resid 45   and name HA  )  -0.2497  0.4000

!assign ( resid 300  and name CA  )
!       ( resid 300  and name CB  )
!       ( resid 46   and name CA  )
!       ( resid 46   and name HA  )  1.0721  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 49   and name CA  )
       ( resid 49   and name HA  )  0.9483  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 51   and name CA  )
       ( resid 51   and name HA  )  -0.5199  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 53   and name CA  )
       ( resid 53   and name HA  )  0.7387  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 54   and name CA  )
       ( resid 54   and name HA  )  1.5297  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 55   and name CA  )
       ( resid 55   and name HA  )  0.9395  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 56   and name CA  )
       ( resid 56   and name HA  )  0.3516  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 58   and name CA  )
       ( resid 58   and name HA  )  0.1020  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 59   and name CA  )
       ( resid 59   and name HA  )  0.2910  0.4000

assign ( resid 300  and name CA  )
       ( resid 300  and name CB  )
       ( resid 60   and name CA  )
       ( resid 60   and name HA  )  0.0770  0.4000

  Entry H atom name         Submitted Coord H atom name
    1   1H    LYS   1           HT3      LYS   1  -4.912  13.844  11.256
    2   2H    LYS   1           HT2      LYS   1  -4.549  14.921  12.519
    3   3H    LYS   1           HT1      LYS   1  -3.889  13.356  12.518
    4    HA   LYS   1           HA       LYS   1  -5.678  13.396  14.098
    5   1HB   LYS   1           HB2      LYS   1  -7.250  14.448  11.726
    6   2HB   LYS   1           HB1      LYS   1  -8.003  13.848  13.199
    7   1HG   LYS   1           HG2      LYS   1  -6.824  15.574  14.509
    8   2HG   LYS   1           HG1      LYS   1  -6.075  16.179  13.025
    9   1HD   LYS   1           HD2      LYS   1  -8.209  16.801  12.095
   10   2HD   LYS   1           HD1      LYS   1  -9.077  15.945  13.369
   11   1HE   LYS   1           HE2      LYS   1  -8.951  18.477  13.631
   12   2HE   LYS   1           HE1      LYS   1  -8.419  17.537  15.025
   13   1HZ   LYS   1           HZ3      LYS   1  -6.261  17.943  13.256
   14   2HZ   LYS   1           HZ2      LYS   1  -6.988  19.435  13.602
   15   3HZ   LYS   1           HZ1      LYS   1  -6.415  18.456  14.867
   16    H    ARG   2           HN       ARG   2  -4.599  11.235  13.363
   17    HA   ARG   2           HA       ARG   2  -6.433   9.639  11.641
   18   1HB   ARG   2           HB2      ARG   2  -3.672   9.244  12.751
   19   2HB   ARG   2           HB1      ARG   2  -4.636   7.792  12.507
   20   1HG   ARG   2           HG2      ARG   2  -3.575   7.978  10.449
   21   2HG   ARG   2           HG1      ARG   2  -5.076   8.824  10.118
   22   1HD   ARG   2           HD2      ARG   2  -3.670  10.461   9.350
   23   2HD   ARG   2           HD1      ARG   2  -3.528  10.886  11.059
   24    HE   ARG   2           HE       ARG   2  -1.573   9.023  10.834
   25   1HH1  ARG   2          HH21      ARG   2  -2.516  11.687   8.855
   26   2HH1  ARG   2          HH22      ARG   2  -0.900  12.069   8.372
   27   1HH2  ARG   2          HH11      ARG   2   0.542   9.515  10.224
   28   2HH2  ARG   2          HH12      ARG   2   0.834  10.844   9.153
   29    H    ALA   3           HN       ALA   3  -6.057  10.542  14.840
   30    HA   ALA   3           HA       ALA   3  -6.886   8.158  16.199
   31   1HB   ALA   3           HB1      ALA   3  -6.892  11.090  16.861
   32   2HB   ALA   3           HB3      ALA   3  -7.771   9.979  17.912
   33   3HB   ALA   3           HB2      ALA   3  -6.038   9.772  17.661
   34    H    GLY   4           HN       GLY   4  -8.705   7.132  15.532
   35   1HA   GLY   4           HA2      GLY   4 -11.069   6.821  15.579
   36   2HA   GLY   4           HA1      GLY   4 -11.275   8.558  15.774
   37    H    THR   5           HN       THR   5  -9.227   8.532  13.259
   38    HA   THR   5           HA       THR   5 -11.297   9.096  11.353
   39    HB   THR   5           HB       THR   5  -8.459   8.366  10.693
   40    HG1  THR   5           HG1      THR   5  -9.588  10.566  11.918
   41   1HG2  THR   5          HG22      THR   5 -10.656   9.884   9.281
   42   2HG2  THR   5          HG21      THR   5  -8.961  10.131   8.868
   43   3HG2  THR   5          HG23      THR   5  -9.690   8.538   8.677
   44    H    VAL   6           HN       VAL   6 -12.603   7.649  10.480
   45    HA   VAL   6           HA       VAL   6 -11.521   4.958   9.722
   46    HB   VAL   6           HB       VAL   6 -13.911   4.169   9.985
   47   1HG1  VAL   6          HG13      VAL   6 -11.994   4.113  11.820
   48   2HG1  VAL   6          HG12      VAL   6 -13.029   5.275  12.646
   49   3HG1  VAL   6          HG11      VAL   6 -13.644   3.671  12.252
   50   1HG2  VAL   6          HG21      VAL   6 -14.957   6.412   9.827
   51   2HG2  VAL   6          HG23      VAL   6 -15.443   5.577  11.301
   52   3HG2  VAL   6          HG22      VAL   6 -14.228   6.852  11.371
   53    H    CYS   7           HN       CYS   7 -12.021   4.345   7.558
   54    HA   CYS   7           HA       CYS   7 -12.537   6.447   5.720
   55   1HB   CYS   7           HB2      CYS   7 -11.354   4.326   5.227
   56   2HB   CYS   7           HB1      CYS   7 -12.899   3.479   5.298
   57    H    SER   8           HN       SER   8 -14.422   7.462   5.409
   58    HA   SER   8           HA       SER   8 -16.907   6.640   6.491
   59   1HB   SER   8           HB2      SER   8 -16.244   8.525   4.222
   60   2HB   SER   8           HB1      SER   8 -17.873   8.313   4.856
   61    HG   SER   8           HG       SER   8 -15.729   9.657   5.892
   62    H    ASN   9           HN       ASN   9 -15.506   6.179   3.239
   63    HA   ASN   9           HA       ASN   9 -17.899   4.947   2.197
   64   1HB   ASN   9           HB2      ASN   9 -15.051   5.128   1.213
   65   2HB   ASN   9           HB1      ASN   9 -16.268   4.186   0.352
   66   1HD2  ASN   9          HD22      ASN   9 -16.310   7.667  -1.030
   67   2HD2  ASN   9          HD21      ASN   9 -15.135   6.447  -0.914
   68    H    CYS  10           HN       CYS  10 -14.768   3.543   3.389
   69    HA   CYS  10           HA       CYS  10 -16.253   0.949   3.508
   70   1HB   CYS  10           HB2      CYS  10 -14.429  -0.234   2.651
   71   2HB   CYS  10           HB1      CYS  10 -14.488   1.223   1.664
   72    H    GLN  11           HN       GLN  11 -15.189   3.099   5.669
   73    HA   GLN  11           HA       GLN  11 -14.651   2.956   7.889
   74   1HB   GLN  11           HB2      GLN  11 -15.633   0.144   7.426
   75   2HB   GLN  11           HB1      GLN  11 -15.217   0.765   9.018
   76   1HG   GLN  11           HG2      GLN  11 -16.853   2.581   8.754
   77   2HG   GLN  11           HG1      GLN  11 -17.258   1.988   7.142
   78   1HE2  GLN  11          HE22      GLN  11 -19.376   0.497  10.072
   79   2HE2  GLN  11          HE21      GLN  11 -18.705   2.054   9.977
   80    H    THR  12           HN       THR  12 -12.489   1.443   5.784
   81    HA   THR  12           HA       THR  12 -10.986  -0.122   7.684
   82    HB   THR  12           HB       THR  12 -10.494  -0.289   5.267
   83    HG1  THR  12           HG1      THR  12  -8.680  -0.874   6.163
   84   1HG2  THR  12          HG21      THR  12 -10.870   2.158   4.831
   85   2HG2  THR  12          HG23      THR  12  -9.336   2.496   5.598
   86   3HG2  THR  12          HG22      THR  12  -9.387   1.548   4.114
   87    H    SER  13           HN       SER  13  -9.273   0.490   9.031
   88    HA   SER  13           HA       SER  13  -9.064   3.442   9.541
   89   1HB   SER  13           HB2      SER  13  -8.286   2.853  11.835
   90   2HB   SER  13           HB1      SER  13  -9.875   2.160  11.520
   91    HG   SER  13           HG       SER  13  -7.363   0.843  11.276
   92    H    THR  14           HN       THR  14  -7.599   0.870   8.124
   93    HA   THR  14           HA       THR  14  -4.817   1.863   8.579
   94    HB   THR  14           HB       THR  14  -4.112  -0.241   7.573
   95    HG1  THR  14           HG1      THR  14  -6.052  -1.719   7.173
   96   1HG2  THR  14          HG22      THR  14  -6.264  -0.482   9.675
   97   2HG2  THR  14          HG21      THR  14  -5.330  -1.873   9.130
   98   3HG2  THR  14          HG23      THR  14  -4.514  -0.510   9.892
   99    H    THR  15           HN       THR  15  -4.150   3.275   7.029
  100    HA   THR  15           HA       THR  15  -4.953   2.806   4.204
  101    HB   THR  15           HB       THR  15  -5.906   4.935   3.873
  102    HG1  THR  15           HG1      THR  15  -5.671   6.567   5.523
  103   1HG2  THR  15          HG23      THR  15  -7.315   3.473   5.300
  104   2HG2  THR  15          HG22      THR  15  -6.657   4.268   6.726
  105   3HG2  THR  15          HG21      THR  15  -7.619   5.185   5.566
  106    H    THR  16           HN       THR  16  -3.408   3.676   2.735
  107    HA   THR  16           HA       THR  16  -0.788   4.177   3.931
  108    HB   THR  16           HB       THR  16   0.090   4.176   1.762
  109    HG1  THR  16           HG1      THR  16  -2.500   5.014   1.016
  110   1HG2  THR  16          HG21      THR  16  -1.839   2.155   2.356
  111   2HG2  THR  16          HG23      THR  16  -2.031   2.567   0.656
  112   3HG2  THR  16          HG22      THR  16  -0.466   2.034   1.263
  113    H    LEU  17           HN       LEU  17  -3.327   6.043   2.299
  114    HA   LEU  17           HA       LEU  17  -2.217   8.490   3.548
  115   1HB   LEU  17           HB2      LEU  17  -1.557   8.092   0.948
  116   2HB   LEU  17           HB1      LEU  17  -3.139   8.813   0.719
  117    HG   LEU  17           HG       LEU  17  -2.452  10.738   2.109
  118   1HD1  LEU  17          HD12      LEU  17   0.007   9.050   2.433
  119   2HD1  LEU  17          HD11      LEU  17   0.279  10.773   2.193
  120   3HD1  LEU  17          HD13      LEU  17  -0.702  10.220   3.545
  121   1HD2  LEU  17          HD23      LEU  17  -0.747   9.973  -0.267
  122   2HD2  LEU  17          HD22      LEU  17  -2.288  10.821  -0.294
  123   3HD2  LEU  17          HD21      LEU  17  -0.868  11.604   0.370
  124    H    TRP  18           HN       TRP  18  -3.864   9.672   4.447
  125    HA   TRP  18           HA       TRP  18  -6.618   8.736   4.077
  126   1HB   TRP  18           HB2      TRP  18  -5.247  10.795   5.800
  127   2HB   TRP  18           HB1      TRP  18  -7.005  10.741   5.682
  128    HD1  TRP  18           HD1      TRP  18  -4.176   9.195   7.495
  129    HE1  TRP  18           HE1      TRP  18  -4.972   7.153   8.840
  130    HE3  TRP  18           HE3      TRP  18  -8.831   8.566   5.466
  131    HZ2  TRP  18           HZ2      TRP  18  -7.278   5.469   9.048
  132    HZ3  TRP  18           HZ3      TRP  18 -10.303   6.727   6.257
  133    HH2  TRP  18           HH2      TRP  18  -9.536   5.186   8.044
  134    H    ARG  19           HN       ARG  19  -8.044   9.635   2.691
  135    HA   ARG  19           HA       ARG  19  -7.279  12.165   1.278
  136   1HB   ARG  19           HB2      ARG  19  -9.382  10.147   0.484
  137   2HB   ARG  19           HB1      ARG  19  -8.724  11.440  -0.504
  138   1HG   ARG  19           HG2      ARG  19  -7.091   9.142   0.579
  139   2HG   ARG  19           HG1      ARG  19  -7.814   9.160  -1.029
  140   1HD   ARG  19           HD2      ARG  19  -6.561  11.340  -1.418
  141   2HD   ARG  19           HD1      ARG  19  -5.690  11.006   0.072
  142    HE   ARG  19           HE       ARG  19  -5.586   8.677  -1.593
  143   1HH1  ARG  19          HH21      ARG  19  -4.407  11.918  -1.427
  144   2HH1  ARG  19          HH22      ARG  19  -3.068  11.602  -2.471
  145   1HH2  ARG  19          HH11      ARG  19  -3.830   8.282  -2.947
  146   2HH2  ARG  19          HH12      ARG  19  -2.735   9.571  -3.321
  147    H    ARG  20           HN       ARG  20  -9.295  13.421   0.619
  148    HA   ARG  20           HA       ARG  20 -11.384  13.389   2.767
  149   1HB   ARG  20           HB2      ARG  20  -9.613  15.390   2.693
  150   2HB   ARG  20           HB1      ARG  20 -10.586  15.936   1.329
  151   1HG   ARG  20           HG2      ARG  20 -11.487  16.992   3.278
  152   2HG   ARG  20           HG1      ARG  20 -12.620  15.724   2.817
  153   1HD   ARG  20           HD2      ARG  20 -12.392  14.762   4.869
  154   2HD   ARG  20           HD1      ARG  20 -10.654  14.600   4.629
  155    HE   ARG  20           HE       ARG  20 -10.961  17.259   5.326
  156   1HH1  ARG  20          HH21      ARG  20 -11.966  14.214   6.598
  157   2HH1  ARG  20          HH22      ARG  20 -11.904  14.732   8.249
  158   1HH2  ARG  20          HH11      ARG  20 -10.869  17.951   7.481
  159   2HH2  ARG  20          HH12      ARG  20 -11.283  16.846   8.749
  160    H    SER  21           HN       SER  21 -13.459  13.357   1.857
  161    HA   SER  21           HA       SER  21 -13.507  13.060  -1.086
  162   1HB   SER  21           HB2      SER  21 -14.919  11.843   1.057
  163   2HB   SER  21           HB1      SER  21 -16.127  12.736   0.141
  164    HG   SER  21           HG       SER  21 -16.003  11.126  -1.199
  165    HA   PRO  22           HA       PRO  22 -15.128  16.995  -2.149
  166   1HB   PRO  22           HB2      PRO  22 -17.585  15.993  -3.376
  167   2HB   PRO  22           HB1      PRO  22 -16.148  16.658  -4.157
  168   1HG   PRO  22           HG2      PRO  22 -16.961  13.898  -4.023
  169   2HG   PRO  22           HG1      PRO  22 -15.527  14.568  -4.808
  170   1HD   PRO  22           HD2      PRO  22 -15.598  12.960  -2.442
  171   2HD   PRO  22           HD1      PRO  22 -14.181  13.778  -3.145
  172    H    MET  23           HN       MET  23 -17.074  14.765  -0.328
  173    HA   MET  23           HA       MET  23 -19.043  16.840   0.482
  174   1HB   MET  23           HB2      MET  23 -18.814  13.856   0.808
  175   2HB   MET  23           HB1      MET  23 -19.836  14.757   1.927
  176   1HG   MET  23           HG2      MET  23 -21.087  15.706   0.018
  177   2HG   MET  23           HG1      MET  23 -20.071  14.792  -1.099
  178   1HE   MET  23           HE3      MET  23 -22.693  14.818  -1.447
  179   2HE   MET  23           HE2      MET  23 -23.012  13.124  -1.805
  180   3HE   MET  23           HE1      MET  23 -23.838  13.903  -0.460
  181    H    GLY  24           HN       GLY  24 -16.043  15.611   1.495
  182   1HA   GLY  24           HA2      GLY  24 -14.787  16.472   3.352
  183   2HA   GLY  24           HA1      GLY  24 -16.292  17.042   4.081
  184    H    ASP  25           HN       ASP  25 -16.192  13.811   2.774
  185    HA   ASP  25           HA       ASP  25 -16.508  12.688   5.499
  186   1HB   ASP  25           HB2      ASP  25 -16.898  11.474   2.757
  187   2HB   ASP  25           HB1      ASP  25 -17.299  10.708   4.294
  188    HA   PRO  26           HA       PRO  26 -12.044  11.628   5.019
  189   1HB   PRO  26           HB2      PRO  26 -12.651   9.736   7.239
  190   2HB   PRO  26           HB1      PRO  26 -11.420  11.003   7.145
  191   1HG   PRO  26           HG2      PRO  26 -13.711  11.207   8.657
  192   2HG   PRO  26           HG1      PRO  26 -12.816  12.599   8.033
  193   1HD   PRO  26           HD2      PRO  26 -15.447  11.548   7.184
  194   2HD   PRO  26           HD1      PRO  26 -14.727  13.154   6.890
  195    H    VAL  27           HN       VAL  27 -11.253  10.102   3.630
  196    HA   VAL  27           HA       VAL  27 -12.430   7.381   3.633
  197    HB   VAL  27           HB       VAL  27 -12.380   7.287   1.127
  198   1HG1  VAL  27          HG11      VAL  27 -14.442   7.680   2.616
  199   2HG1  VAL  27          HG13      VAL  27 -14.332   9.366   2.111
  200   3HG1  VAL  27          HG12      VAL  27 -14.586   8.100   0.913
  201   1HG2  VAL  27          HG21      VAL  27 -11.459  10.073   1.520
  202   2HG2  VAL  27          HG23      VAL  27 -11.313   9.027   0.106
  203   3HG2  VAL  27          HG22      VAL  27 -12.790   9.943   0.373
  204    H    CYS  28           HN       CYS  28 -11.020   5.728   2.568
  205    HA   CYS  28           HA       CYS  28  -8.238   6.326   3.230
  206   1HB   CYS  28           HB2      CYS  28  -7.845   3.966   3.014
  207   2HB   CYS  28           HB1      CYS  28  -9.349   4.177   3.890
  208    H    ASN  29           HN       ASN  29  -6.481   5.886   1.757
  209    HA   ASN  29           HA       ASN  29  -6.507   7.298  -0.621
  210   1HB   ASN  29           HB2      ASN  29  -4.468   6.465   0.503
  211   2HB   ASN  29           HB1      ASN  29  -4.839   4.838  -0.069
  212   1HD2  ASN  29          HD22      ASN  29  -2.731   7.136  -2.479
  213   2HD2  ASN  29          HD21      ASN  29  -2.807   7.275  -0.788
  214    H    ALA  30           HN       ALA  30  -7.319   3.854  -0.293
  215    HA   ALA  30           HA       ALA  30  -7.456   3.427  -3.140
  216   1HB   ALA  30           HB2      ALA  30  -7.193   1.643  -1.406
  217   2HB   ALA  30           HB1      ALA  30  -8.894   1.865  -0.994
  218   3HB   ALA  30           HB3      ALA  30  -8.441   1.311  -2.606
  219    H    CYS  31           HN       CYS  31 -10.125   3.822  -0.736
  220    HA   CYS  31           HA       CYS  31 -12.260   3.826  -2.590
  221   1HB   CYS  31           HB2      CYS  31 -11.921   5.309   0.017
  222   2HB   CYS  31           HB1      CYS  31 -13.422   5.370  -0.898
  223    H    GLY  32           HN       GLY  32 -10.277   6.563  -1.487
  224   1HA   GLY  32           HA2      GLY  32 -11.730   8.613  -2.749
  225   2HA   GLY  32           HA1      GLY  32 -10.001   8.677  -2.474
  226    H    LEU  33           HN       LEU  33  -9.007   6.741  -4.125
  227    HA   LEU  33           HA       LEU  33  -9.233   8.008  -6.711
  228   1HB   LEU  33           HB2      LEU  33  -8.005   5.325  -6.013
  229   2HB   LEU  33           HB1      LEU  33  -7.689   6.273  -7.465
  230    HG   LEU  33           HG       LEU  33  -7.202   7.448  -4.722
  231   1HD1  LEU  33          HD11      LEU  33  -5.951   5.295  -4.906
  232   2HD1  LEU  33          HD13      LEU  33  -5.188   5.902  -6.376
  233   3HD1  LEU  33          HD12      LEU  33  -4.891   6.701  -4.832
  234   1HD2  LEU  33          HD23      LEU  33  -6.085   7.976  -7.497
  235   2HD2  LEU  33          HD22      LEU  33  -7.181   9.020  -6.594
  236   3HD2  LEU  33          HD21      LEU  33  -5.531   8.783  -6.032
  237    H    TYR  34           HN       TYR  34 -10.318   4.785  -5.539
  238    HA   TYR  34           HA       TYR  34 -11.533   4.002  -7.992
  239   1HB   TYR  34           HB2      TYR  34 -11.210   2.413  -6.156
  240   2HB   TYR  34           HB1      TYR  34 -12.343   3.312  -5.149
  241    HD1  TYR  34           HD1      TYR  34 -14.753   3.339  -5.662
  242    HD2  TYR  34           HD2      TYR  34 -11.982   1.009  -8.001
  243    HE1  TYR  34           HE1      TYR  34 -16.651   2.074  -6.649
  244    HE2  TYR  34           HE2      TYR  34 -13.884  -0.257  -8.989
  245    HH   TYR  34           HH       TYR  34 -16.171  -0.203  -9.293
  246    H    TYR  35           HN       TYR  35 -12.919   5.683  -5.173
  247    HA   TYR  35           HA       TYR  35 -15.553   5.930  -6.194
  248   1HB   TYR  35           HB2      TYR  35 -14.655   6.439  -3.806
  249   2HB   TYR  35           HB1      TYR  35 -14.230   8.020  -4.452
  250    HD1  TYR  35           HD1      TYR  35 -15.971   9.534  -5.348
  251    HD2  TYR  35           HD2      TYR  35 -16.966   5.802  -3.442
  252    HE1  TYR  35           HE1      TYR  35 -18.335  10.288  -5.103
  253    HE2  TYR  35           HE2      TYR  35 -19.321   6.543  -3.194
  254    HH   TYR  35           HH       TYR  35 -20.371   9.758  -4.381
  255    H    LYS  36           HN       LYS  36 -12.774   8.168  -6.394
  256    HA   LYS  36           HA       LYS  36 -14.123  10.210  -7.851
  257   1HB   LYS  36           HB2      LYS  36 -11.883  10.482  -6.819
  258   2HB   LYS  36           HB1      LYS  36 -11.213   9.342  -7.984
  259   1HG   LYS  36           HG2      LYS  36 -11.736  10.834  -9.826
  260   2HG   LYS  36           HG1      LYS  36 -12.583  11.932  -8.739
  261   1HD   LYS  36           HD2      LYS  36 -10.388  12.861  -9.089
  262   2HD   LYS  36           HD1      LYS  36 -10.417  12.197  -7.457
  263   1HE   LYS  36           HE2      LYS  36  -9.109  10.330  -8.059
  264   2HE   LYS  36           HE1      LYS  36  -9.444  10.528  -9.779
  265   1HZ   LYS  36           HZ1      LYS  36  -8.276  12.885  -8.867
  266   2HZ   LYS  36           HZ3      LYS  36  -7.334  11.607  -8.270
  267   3HZ   LYS  36           HZ2      LYS  36  -7.619  11.742  -9.940
  268    H    LEU  37           HN       LEU  37 -12.346   7.347  -9.028
  269    HA   LEU  37           HA       LEU  37 -12.725   8.024 -11.804
  270   1HB   LEU  37           HB2      LEU  37 -11.747   5.655 -10.272
  271   2HB   LEU  37           HB1      LEU  37 -12.267   5.366 -11.930
  272    HG   LEU  37           HG       LEU  37 -10.733   7.126 -12.724
  273   1HD1  LEU  37          HD12      LEU  37 -10.754   8.512 -10.637
  274   2HD1  LEU  37          HD11      LEU  37  -9.785   7.272  -9.846
  275   3HD1  LEU  37          HD13      LEU  37  -9.125   8.168 -11.210
  276   1HD2  LEU  37          HD21      LEU  37 -10.031   4.696 -12.377
  277   2HD2  LEU  37          HD23      LEU  37  -8.717   5.869 -12.468
  278   3HD2  LEU  37          HD22      LEU  37  -9.228   5.237 -10.903
  279    H    HIS  38           HN       HIS  38 -14.602   5.930  -9.577
  280    HA   HIS  38           HA       HIS  38 -16.605   5.578 -11.792
  281   1HB   HIS  38           HB2      HIS  38 -16.056   3.866  -9.363
  282   2HB   HIS  38           HB1      HIS  38 -17.338   3.573 -10.542
  283    HD1  HIS  38           HD1      HIS  38 -16.680   2.645 -12.831
  284    HD2  HIS  38           HD2      HIS  38 -13.385   3.496 -10.421
  285    HE1  HIS  38           HE1      HIS  38 -14.661   1.665 -14.005
  286    H    GLN  39           HN       GLN  39 -16.238   7.126  -8.683
  287    HA   GLN  39           HA       GLN  39 -17.729   8.044  -7.267
  288   1HB   GLN  39           HB2      GLN  39 -17.962   9.733  -8.833
  289   2HB   GLN  39           HB1      GLN  39 -18.595   8.652 -10.063
  290   1HG   GLN  39           HG2      GLN  39 -20.792   8.741  -9.176
  291   2HG   GLN  39           HG1      GLN  39 -20.236   9.403  -7.633
  292   1HE2  GLN  39          HE22      GLN  39 -21.636  12.145  -9.835
  293   2HE2  GLN  39          HE21      GLN  39 -22.260  10.660  -9.297
  294    H    VAL  40           HN       VAL  40 -18.074   5.340  -7.195
  295    HA   VAL  40           HA       VAL  40 -20.933   5.173  -6.453
  296    HB   VAL  40           HB       VAL  40 -21.019   2.855  -7.359
  297   1HG1  VAL  40          HG13      VAL  40 -20.570   5.101  -9.326
  298   2HG1  VAL  40          HG12      VAL  40 -21.323   3.562  -9.736
  299   3HG1  VAL  40          HG11      VAL  40 -22.097   4.644  -8.580
  300   1HG2  VAL  40          HG21      VAL  40 -18.344   3.679  -8.460
  301   2HG2  VAL  40          HG23      VAL  40 -18.782   2.198  -7.616
  302   3HG2  VAL  40          HG22      VAL  40 -19.318   2.458  -9.273
  303    H    ASN  41           HN       ASN  41 -21.303   3.626  -4.779
  304    HA   ASN  41           HA       ASN  41 -18.929   3.150  -3.094
  305   1HB   ASN  41           HB2      ASN  41 -20.540   2.395  -1.412
  306   2HB   ASN  41           HB1      ASN  41 -21.090   3.918  -2.107
  307   1HD2  ASN  41          HD22      ASN  41 -23.982   1.542  -2.082
  308   2HD2  ASN  41          HD21      ASN  41 -22.978   2.211  -0.888
  309    H    ARG  42           HN       ARG  42 -18.021   1.055  -2.744
  310    HA   ARG  42           HA       ARG  42 -19.218  -1.179  -4.351
  311   1HB   ARG  42           HB2      ARG  42 -16.919  -1.898  -4.831
  312   2HB   ARG  42           HB1      ARG  42 -17.105  -0.208  -5.289
  313   1HG   ARG  42           HG2      ARG  42 -16.143   0.458  -3.082
  314   2HG   ARG  42           HG1      ARG  42 -15.869  -1.243  -2.715
  315   1HD   ARG  42           HD2      ARG  42 -14.732   0.045  -5.190
  316   2HD   ARG  42           HD1      ARG  42 -13.878   0.049  -3.660
  317    HE   ARG  42           HE       ARG  42 -14.845  -2.613  -4.384
  318   1HH1  ARG  42          HH21      ARG  42 -12.389  -0.270  -4.946
  319   2HH1  ARG  42          HH22      ARG  42 -11.276  -1.409  -5.627
  320   1HH2  ARG  42          HH11      ARG  42 -13.421  -4.111  -5.279
  321   2HH2  ARG  42          HH12      ARG  42 -11.862  -3.585  -5.819
  322    HA   PRO  43           HA       PRO  43 -19.322  -3.579  -0.576
  323   1HB   PRO  43           HB2      PRO  43 -18.427  -6.047  -1.685
  324   2HB   PRO  43           HB1      PRO  43 -20.098  -5.509  -1.494
  325   1HG   PRO  43           HG2      PRO  43 -18.441  -5.607  -3.935
  326   2HG   PRO  43           HG1      PRO  43 -20.202  -5.541  -3.779
  327   1HD   PRO  43           HD2      PRO  43 -18.592  -3.416  -4.618
  328   2HD   PRO  43           HD1      PRO  43 -20.242  -3.243  -3.981
  329    H    LEU  44           HN       LEU  44 -17.961  -4.465   1.029
  330    HA   LEU  44           HA       LEU  44 -15.196  -3.600   0.961
  331   1HB   LEU  44           HB2      LEU  44 -16.930  -5.053   2.951
  332   2HB   LEU  44           HB1      LEU  44 -15.212  -4.792   3.250
  333    HG   LEU  44           HG       LEU  44 -15.579  -2.344   2.828
  334   1HD1  LEU  44          HD13      LEU  44 -18.430  -3.302   2.607
  335   2HD1  LEU  44          HD12      LEU  44 -18.070  -1.658   3.131
  336   3HD1  LEU  44          HD11      LEU  44 -17.542  -2.210   1.544
  337   1HD2  LEU  44          HD21      LEU  44 -15.742  -3.605   5.154
  338   2HD2  LEU  44          HD23      LEU  44 -16.228  -1.915   5.043
  339   3HD2  LEU  44          HD22      LEU  44 -17.450  -3.185   5.042
  340    H    THR  45           HN       THR  45 -16.163  -6.083  -0.765
  341    HA   THR  45           HA       THR  45 -14.738  -8.329   0.372
  342    HB   THR  45           HB       THR  45 -15.094  -9.455  -1.706
  343    HG1  THR  45           HG1      THR  45 -14.297  -8.012  -3.140
  344   1HG2  THR  45          HG22      THR  45 -17.271  -7.864  -0.575
  345   2HG2  THR  45          HG21      THR  45 -17.490  -8.090  -2.307
  346   3HG2  THR  45          HG23      THR  45 -17.325  -9.489  -1.252
  347    H    MET  46           HN       MET  46 -13.665  -5.476  -1.117
  348    HA   MET  46           HA       MET  46 -11.161  -6.679  -2.189
  349   1HB   MET  46           HB2      MET  46 -12.482  -4.792  -3.307
  350   2HB   MET  46           HB1      MET  46 -11.923  -3.751  -2.004
  351   1HG   MET  46           HG2      MET  46 -10.164  -3.328  -3.418
  352   2HG   MET  46           HG1      MET  46  -9.542  -4.865  -2.830
  353   1HE   MET  46           HE1      MET  46 -10.037  -2.830  -5.740
  354   2HE   MET  46           HE3      MET  46  -8.538  -3.737  -5.498
  355   3HE   MET  46           HE2      MET  46  -9.508  -4.000  -6.946
  356    H    ARG  47           HN       ARG  47 -12.294  -5.459   0.756
  357    HA   ARG  47           HA       ARG  47  -9.765  -4.255   1.594
  358   1HB   ARG  47           HB2      ARG  47 -12.508  -4.292   2.508
  359   2HB   ARG  47           HB1      ARG  47 -11.448  -4.589   3.872
  360   1HG   ARG  47           HG2      ARG  47 -10.525  -2.489   3.812
  361   2HG   ARG  47           HG1      ARG  47 -10.595  -2.368   2.062
  362   1HD   ARG  47           HD2      ARG  47 -12.274  -0.964   2.411
  363   2HD   ARG  47           HD1      ARG  47 -13.283  -2.335   2.738
  364    HE   ARG  47           HE       ARG  47 -12.204  -0.364   4.660
  365   1HH1  ARG  47          HH21      ARG  47 -13.625  -3.468   4.283
  366   2HH1  ARG  47          HH22      ARG  47 -13.571  -3.839   5.974
  367   1HH2  ARG  47          HH11      ARG  47 -12.103  -0.847   6.849
  368   2HH2  ARG  47          HH12      ARG  47 -12.683  -2.366   7.422
  369    H    LYS  48           HN       LYS  48  -8.444  -4.799   3.155
  370    HA   LYS  48           HA       LYS  48  -8.499  -7.579   4.253
  371   1HB   LYS  48           HB2      LYS  48  -6.178  -6.039   3.055
  372   2HB   LYS  48           HB1      LYS  48  -5.966  -7.465   4.069
  373   1HG   LYS  48           HG2      LYS  48  -7.245  -8.820   2.500
  374   2HG   LYS  48           HG1      LYS  48  -7.587  -7.399   1.509
  375   1HD   LYS  48           HD2      LYS  48  -5.299  -7.147   0.902
  376   2HD   LYS  48           HD1      LYS  48  -4.761  -8.280   2.137
  377   1HE   LYS  48           HE2      LYS  48  -6.676  -9.295   0.064
  378   2HE   LYS  48           HE1      LYS  48  -5.000  -9.031  -0.415
  379   1HZ   LYS  48           HZ2      LYS  48  -4.954 -10.273   2.067
  380   2HZ   LYS  48           HZ1      LYS  48  -6.067 -11.135   1.115
  381   3HZ   LYS  48           HZ3      LYS  48  -4.475 -10.917   0.571
  382    H    ASP  49           HN       ASP  49  -7.270  -7.678   6.339
  383    HA   ASP  49           HA       ASP  49  -7.896  -5.520   8.092
  384   1HB   ASP  49           HB2      ASP  49  -5.838  -7.731   8.350
  385   2HB   ASP  49           HB1      ASP  49  -6.302  -6.652   9.668
  386    H    GLY  50           HN       GLY  50  -4.530  -6.527   7.512
  387   1HA   GLY  50           HA2      GLY  50  -3.559  -3.859   8.058
  388   2HA   GLY  50           HA1      GLY  50  -2.580  -5.204   7.477
  389    H    ILE  51           HN       ILE  51  -1.709  -3.172   6.260
  390    HA   ILE  51           HA       ILE  51  -3.299  -2.476   3.862
  391    HB   ILE  51           HB       ILE  51  -0.561  -1.518   4.734
  392   1HG1  ILE  51          HG12      ILE  51  -3.354  -0.418   5.153
  393   2HG1  ILE  51          HG11      ILE  51  -2.206  -0.909   6.397
  394   1HG2  ILE  51          HG21      ILE  51  -1.257  -1.302   2.261
  395   2HG2  ILE  51          HG23      ILE  51  -2.510  -0.200   2.828
  396   3HG2  ILE  51          HG22      ILE  51  -0.809   0.186   3.084
  397   1HD1  ILE  51          HD11      ILE  51  -0.639   0.878   5.396
  398   2HD1  ILE  51          HD13      ILE  51  -2.075   1.482   4.570
  399   3HD1  ILE  51          HD12      ILE  51  -2.023   1.446   6.330
  400    H    GLN  52           HN       GLN  52  -2.688  -3.110   1.796
  401    HA   GLN  52           HA       GLN  52  -0.987  -5.491   1.598
  402   1HB   GLN  52           HB2      GLN  52  -2.431  -3.832  -0.494
  403   2HB   GLN  52           HB1      GLN  52  -1.474  -5.259  -0.882
  404   1HG   GLN  52           HG2      GLN  52  -2.920  -6.675   0.434
  405   2HG   GLN  52           HG1      GLN  52  -3.774  -5.275   1.088
  406   1HE2  GLN  52          HE22      GLN  52  -5.121  -4.587  -2.351
  407   2HE2  GLN  52          HE21      GLN  52  -4.102  -3.739  -1.291
  408    H    THR  53           HN       THR  53   1.031  -5.569   0.429
  409    HA   THR  53           HA       THR  53   2.260  -2.915  -0.232
  410    HB   THR  53           HB       THR  53   3.360  -3.264   1.788
  411    HG1  THR  53           HG1      THR  53   5.266  -3.452   0.972
  412   1HG2  THR  53          HG21      THR  53   3.120  -6.218   1.197
  413   2HG2  THR  53          HG23      THR  53   3.964  -5.557   2.598
  414   3HG2  THR  53          HG22      THR  53   2.228  -5.302   2.412
  415    H    ARG  54           HN       ARG  54   4.179  -3.141  -1.609
  416    HA   ARG  54           HA       ARG  54   4.331  -5.654  -3.169
  417   1HB   ARG  54           HB2      ARG  54   2.512  -4.008  -4.084
  418   2HB   ARG  54           HB1      ARG  54   3.877  -3.046  -4.637
  419   1HG   ARG  54           HG2      ARG  54   3.628  -4.358  -6.514
  420   2HG   ARG  54           HG1      ARG  54   4.669  -5.442  -5.597
  421   1HD   ARG  54           HD2      ARG  54   2.312  -6.278  -4.627
  422   2HD   ARG  54           HD1      ARG  54   1.741  -5.647  -6.171
  423    HE   ARG  54           HE       ARG  54   3.988  -7.229  -6.772
  424   1HH1  ARG  54          HH21      ARG  54   0.888  -7.539  -5.292
  425   2HH1  ARG  54          HH22      ARG  54   0.747  -9.230  -5.640
  426   1HH2  ARG  54          HH11      ARG  54   3.829  -9.431  -7.221
  427   2HH2  ARG  54          HH12      ARG  54   2.413 -10.300  -6.732
  428    H    ASN  55           HN       ASN  55   6.208  -5.650  -4.660
  429    HA   ASN  55           HA       ASN  55   8.549  -4.491  -3.518
  430   1HB   ASN  55           HB2      ASN  55   7.854  -5.985  -5.981
  431   2HB   ASN  55           HB1      ASN  55   9.194  -4.871  -6.223
  432   1HD2  ASN  55          HD22      ASN  55  10.722  -8.051  -5.112
  433   2HD2  ASN  55          HD21      ASN  55   9.882  -7.478  -6.472
  434    H    ARG  56           HN       ARG  56   9.417  -2.454  -3.745
  435    HA   ARG  56           HA       ARG  56   7.870  -0.324  -4.813
  436   1HB   ARG  56           HB2      ARG  56  10.842  -0.532  -4.278
  437   2HB   ARG  56           HB1      ARG  56  10.045   0.967  -4.759
  438   1HG   ARG  56           HG2      ARG  56   8.501   0.689  -2.795
  439   2HG   ARG  56           HG1      ARG  56   9.484  -0.677  -2.275
  440   1HD   ARG  56           HD2      ARG  56  11.484   0.904  -2.358
  441   2HD   ARG  56           HD1      ARG  56  10.320   2.218  -2.533
  442    HE   ARG  56           HE       ARG  56   9.417   0.858  -0.305
  443   1HH1  ARG  56          HH21      ARG  56  12.407   2.218  -1.357
  444   2HH1  ARG  56          HH22      ARG  56  12.955   2.585   0.245
  445   1HH2  ARG  56          HH11      ARG  56  10.117   1.328   1.791
  446   2HH2  ARG  56          HH12      ARG  56  11.659   2.081   2.026
  447    H    LYS  57           HN       LYS  57   7.534   0.276  -6.913
  448    HA   LYS  57           HA       LYS  57   8.511  -1.157  -9.125
  449   1HB   LYS  57           HB2      LYS  57   7.838   0.799 -10.479
  450   2HB   LYS  57           HB1      LYS  57   6.599   0.318  -9.317
  451   1HG   LYS  57           HG2      LYS  57   7.381   2.044  -7.760
  452   2HG   LYS  57           HG1      LYS  57   8.610   2.539  -8.930
  453   1HD   LYS  57           HD2      LYS  57   6.963   3.212 -10.519
  454   2HD   LYS  57           HD1      LYS  57   5.666   2.449  -9.599
  455   1HE   LYS  57           HE2      LYS  57   5.935   4.046  -7.792
  456   2HE   LYS  57           HE1      LYS  57   7.339   4.761  -8.583
  457   1HZ   LYS  57           HZ3      LYS  57   4.602   4.696  -9.734
  458   2HZ   LYS  57           HZ2      LYS  57   5.289   6.036  -8.946
  459   3HZ   LYS  57           HZ1      LYS  57   5.960   5.465 -10.399
  460    H    VAL  58           HN       VAL  58   9.906   0.158 -10.924
  461    HA   VAL  58           HA       VAL  58  12.569   0.215 -10.091
  462    HB   VAL  58           HB       VAL  58  12.125   0.323 -12.436
  463   1HG1  VAL  58          HG11      VAL  58  10.608   2.857 -11.779
  464   2HG1  VAL  58          HG13      VAL  58  11.001   2.350 -13.421
  465   3HG1  VAL  58          HG12      VAL  58   9.948   1.351 -12.419
  466   1HG2  VAL  58          HG21      VAL  58  14.099   1.706 -11.520
  467   2HG2  VAL  58          HG23      VAL  58  13.560   2.099 -13.153
  468   3HG2  VAL  58          HG22      VAL  58  13.088   3.123 -11.797
  469    H    SER  59           HN       SER  59  13.935   1.937  -9.278
  470    HA   SER  59           HA       SER  59  12.581   3.754  -7.511
  471   1HB   SER  59           HB2      SER  59  14.722   4.608  -6.912
  472   2HB   SER  59           HB1      SER  59  14.940   2.884  -7.198
  473    HG   SER  59           HG       SER  59  16.110   3.319  -8.916
  474    H    SER  60           HN       SER  60  11.682   4.089 -10.262
  475    HA   SER  60           HA       SER  60  12.800   6.376 -11.515
  476   1HB   SER  60           HB2      SER  60  11.035   5.006 -12.587
  477   2HB   SER  60           HB1      SER  60   9.874   5.558 -11.381
  478    HG   SER  60           HG       SER  60  11.212   7.622 -12.527
  479    H    LYS  61           HN       LYS  61  12.514   8.575 -11.050
  480    HA   LYS  61           HA       LYS  61  10.749   9.389  -8.802
  481   1HB   LYS  61           HB2      LYS  61  12.959   8.335  -7.974
  482   2HB   LYS  61           HB1      LYS  61  13.754   9.670  -8.734
  483   1HG   LYS  61           HG2      LYS  61  12.376  11.216  -7.275
  484   2HG   LYS  61           HG1      LYS  61  11.919   9.761  -6.418
  485   1HD   LYS  61           HD2      LYS  61  13.859   9.730  -5.257
  486   2HD   LYS  61           HD1      LYS  61  14.789   9.723  -6.736
  487   1HE   LYS  61           HE2      LYS  61  14.147  12.368  -6.659
  488   2HE   LYS  61           HE1      LYS  61  14.134  12.003  -4.935
  489   1HZ   LYS  61           HZ2      LYS  61  16.354  10.729  -5.765
  490   2HZ   LYS  61           HZ1      LYS  61  16.346  12.091  -6.780
  491   3HZ   LYS  61           HZ3      LYS  61  16.331  12.291  -5.097
  492    H    GLY  62           HN       GLY  62  11.172  11.871  -8.431
  493   1HA   GLY  62           HA2      GLY  62  11.303  13.236 -11.021
  494   2HA   GLY  62           HA1      GLY  62  11.229  14.036  -9.437
  495    H    LYS  63           HN       LYS  63  13.400  11.524  -9.691
  496    HA   LYS  63           HA       LYS  63  15.667  11.736  -8.860
  497   1HB   LYS  63           HB2      LYS  63  15.378  11.709 -11.865
  498   2HB   LYS  63           HB1      LYS  63  16.944  11.541 -11.085
  499   1HG   LYS  63           HG2      LYS  63  16.484   9.422 -10.283
  500   2HG   LYS  63           HG1      LYS  63  14.777   9.734 -10.194
  501   1HD   LYS  63           HD2      LYS  63  15.438   8.106 -11.987
  502   2HD   LYS  63           HD1      LYS  63  14.432   9.449 -12.508
  503   1HE   LYS  63           HE2      LYS  63  17.276  10.124 -12.739
  504   2HE   LYS  63           HE1      LYS  63  16.876   8.682 -13.652
  505   1HZ   LYS  63           HZ2      LYS  63  15.041  10.953 -13.812
  506   2HZ   LYS  63           HZ1      LYS  63  16.515  11.056 -14.651
  507   3HZ   LYS  63           HZ3      LYS  63  15.437   9.790 -14.985
  508    H    LYS  64           HN       LYS  64  15.734  13.505 -11.862
  509    HA   LYS  64           HA       LYS  64  17.515  15.550 -10.577
  510   1HB   LYS  64           HB2      LYS  64  18.342  13.322 -11.691
  511   2HB   LYS  64           HB1      LYS  64  17.991  14.159 -13.194
  512   1HG   LYS  64           HG2      LYS  64  19.472  16.077 -11.971
  513   2HG   LYS  64           HG1      LYS  64  20.147  14.648 -11.188
  514   1HD   LYS  64           HD2      LYS  64  19.916  15.087 -14.183
  515   2HD   LYS  64           HD1      LYS  64  21.406  15.118 -13.242
  516   1HE   LYS  64           HE2      LYS  64  21.509  12.916 -13.949
  517   2HE   LYS  64           HE1      LYS  64  20.499  12.658 -12.530
  518   1HZ   LYS  64           HZ3      LYS  64  18.778  13.385 -14.567
  519   2HZ   LYS  64           HZ2      LYS  64  19.867  12.291 -15.271
  520   3HZ   LYS  64           HZ1      LYS  64  18.978  11.841 -13.896
  521    H    ARG  65           HN       ARG  65  18.390  16.104 -13.249
  522    HA   ARG  65           HA       ARG  65  18.213  17.579 -14.902
  523   1HB   ARG  65           HB2      ARG  65  15.776  16.186 -15.047
  524   2HB   ARG  65           HB1      ARG  65  15.336  17.878 -15.212
  525   1HG   ARG  65           HG2      ARG  65  17.008  18.163 -17.003
  526   2HG   ARG  65           HG1      ARG  65  17.510  16.487 -16.813
  527   1HD   ARG  65           HD2      ARG  65  15.946  16.871 -18.721
  528   2HD   ARG  65           HD1      ARG  65  15.391  15.667 -17.581
  529    HE   ARG  65           HE       ARG  65  14.521  18.596 -17.825
  530   1HH1  ARG  65          HH21      ARG  65  13.874  15.361 -16.820
  531   2HH1  ARG  65          HH22      ARG  65  12.256  15.718 -16.328
  532   1HH2  ARG  65          HH11      ARG  65  12.450  19.069 -17.193
  533   2HH2  ARG  65          HH12      ARG  65  11.451  17.816 -16.537
  534    H    ARG  66           HN       ARG  66  15.417  19.306 -14.434
  535    HA   ARG  66           HA       ARG  66  16.463  20.988 -12.310
  536   1HB   ARG  66           HB2      ARG  66  16.725  22.902 -14.095
  537   2HB   ARG  66           HB1      ARG  66  18.034  21.751 -13.859
  538   1HG   ARG  66           HG2      ARG  66  16.089  20.773 -15.860
  539   2HG   ARG  66           HG1      ARG  66  16.754  22.325 -16.314
  540   1HD   ARG  66           HD2      ARG  66  18.341  19.824 -15.676
  541   2HD   ARG  66           HD1      ARG  66  18.140  20.550 -17.251
  542    HE   ARG  66           HE       ARG  66  20.070  21.271 -15.200
  543   1HH1  ARG  66          HH21      ARG  66  17.984  22.600 -17.599
  544   2HH1  ARG  66          HH22      ARG  66  18.819  24.116 -17.664
  545   1HH2  ARG  66          HH11      ARG  66  21.170  23.221 -15.276
  546   2HH2  ARG  66          HH12      ARG  66  20.622  24.466 -16.348
  547   1H5*    G 101           H5'      GUA 101  20.027  23.748   9.714
  548   2H5*    G 101          H5''      GUA 101  20.676  22.315   8.891
  549    H4*    G 101           H4'      GUA 101  19.258  21.600  10.730
  550    H3*    G 101           H3'      GUA 101  18.833  20.781   8.042
  551   1H2*    G 101           H2'      GUA 101  16.695  21.458   7.638
  552   2H2*    G 101          H2''      GUA 101  16.194  20.306   8.900
  553    H1*    G 101           H1'      GUA 101  15.720  21.985  10.342
  554    H8     G 101           H8       GUA 101  17.202  23.782   7.202
  555    H1     G 101           H1       GUA 101  11.619  26.103   9.393
  556   1H2     G 101           HN'      GUA 101  11.945  23.674  11.897
  557   2H2     G 101          HN''      GUA 101  10.992  24.978  11.226
  558    H5T    G 101           H5T      GUA 101  19.973  23.542   7.269
  559   1H5*    T 102           H5'      THY 102  16.440  19.114  11.460
  560   2H5*    T 102          H5''      THY 102  16.671  17.356  11.511
  561    H4*    T 102           H4'      THY 102  14.541  17.733  12.470
  562    H3*    T 102           H3'      THY 102  14.638  16.460   9.847
  563   1H2*    T 102           H2'      THY 102  12.872  17.497   8.851
  564   2H2*    T 102          H2''      THY 102  11.852  16.933  10.195
  565    H1*    T 102           H1'      THY 102  11.818  18.956  11.176
  566    H3     T 102           H3       THY 102  10.329  22.234   8.452
  567   1H5M    T 102           H51      THY 102  13.706  21.092   5.287
  568   2H5M    T 102           H52      THY 102  14.889  20.202   6.274
  569   3H5M    T 102           H53      THY 102  14.791  21.977   6.382
  570    H6     T 102           H6       THY 102  14.194  19.369   8.348
  571   1H5*    T 103           H5'      THY 103  11.165  16.391  12.643
  572   2H5*    T 103          H5''      THY 103  10.585  14.737  12.919
  573    H4*    T 103           H4'      THY 103   8.686  16.188  13.052
  574    H3*    T 103           H3'      THY 103   8.872  14.277  10.836
  575   1H2*    T 103           H2'      THY 103   7.910  15.526   9.200
  576   2H2*    T 103          H2''      THY 103   6.504  15.790  10.262
  577    H1*    T 103           H1'      THY 103   7.180  17.901  10.776
  578    H3     T 103           H3       THY 103   7.859  20.370   7.044
  579   1H5M    T 103           H51      THY 103  11.624  16.423   7.179
  580   2H5M    T 103           H52      THY 103  12.130  18.051   6.667
  581   3H5M    T 103           H53      THY 103  11.069  17.080   5.621
  582    H6     T 103           H6       THY 103  10.074  16.535   8.913
  583   1H5*    G 104           H5'      GUA 104   4.901  16.094  12.064
  584   2H5*    G 104          H5''      GUA 104   3.801  14.738  12.391
  585    H4*    G 104           H4'      GUA 104   2.568  16.592  11.384
  586    H3*    G 104           H3'      GUA 104   2.645  13.936  10.264
  587   1H2*    G 104           H2'      GUA 104   3.063  14.368   8.069
  588   2H2*    G 104          H2''      GUA 104   1.594  15.378   8.060
  589    H1*    G 104           H1'      GUA 104   2.797  17.263   7.990
  590    H8     G 104           H8       GUA 104   5.522  14.483   8.373
  591    H1     G 104           H1       GUA 104   6.416  18.687   3.583
  592   1H2     G 104           HN'      GUA 104   4.762  20.198   3.583
  593   2H2     G 104          HN''      GUA 104   3.463  20.166   4.754
  594   1H5*    C 105           H5'      CYT 105  -0.182  16.972   8.540
  595   2H5*    C 105          H5''      CYT 105  -1.825  16.315   8.667
  596    H4*    C 105           H4'      CYT 105  -1.707  17.638   6.659
  597    H3*    C 105           H3'      CYT 105  -2.297  14.823   6.545
  598   1H2*    C 105           H2'      CYT 105  -0.787  14.161   4.961
  599   2H2*    C 105          H2''      CYT 105  -1.701  15.183   3.834
  600    H1*    C 105           H1'      CYT 105  -0.166  16.838   3.858
  601   1H4     C 105           HN'      CYT 105   5.252  12.967   4.424
  602   2H4     C 105          HN''      CYT 105   5.415  13.855   2.926
  603    H5     C 105           H5       CYT 105   3.351  13.186   5.898
  604    H6     C 105           H6       CYT 105   1.184  14.304   6.213
  605   1H5*    A 106           H5'      ADE 106  -2.893  17.789   3.040
  606   2H5*    A 106          H5''      ADE 106  -4.626  17.685   2.679
  607    H4*    A 106           H4'      ADE 106  -3.573  18.380   0.661
  608    H3*    A 106           H3'      ADE 106  -4.849  15.801   0.758
  609   1H2*    A 106           H2'      ADE 106  -3.274  14.464  -0.191
  610   2H2*    A 106          H2''      ADE 106  -3.340  15.498  -1.636
  611    H1*    A 106           H1'      ADE 106  -1.319  16.406  -1.137
  612    H8     A 106           H8       ADE 106  -2.156  14.253   1.902
  613   1H6     A 106           HN'      ADE 106   2.029  11.795   2.147
  614   2H6     A 106          HN''      ADE 106   3.457  11.773   1.137
  615    H2     A 106           H2       ADE 106   2.789  14.769  -2.171
  616   1H5*    G 107           H5'      GUA 107  -3.312  17.548  -2.812
  617   2H5*    G 107          H5''      GUA 107  -4.504  17.833  -4.096
  618    H4*    G 107           H4'      GUA 107  -2.512  17.371  -5.261
  619    H3*    G 107           H3'      GUA 107  -4.584  15.343  -5.323
  620   1H2*    G 107           H2'      GUA 107  -3.310  13.513  -4.824
  621   2H2*    G 107          H2''      GUA 107  -2.486  13.824  -6.370
  622    H1*    G 107           H1'      GUA 107  -0.675  14.765  -5.386
  623    H8     G 107           H8       GUA 107  -2.752  13.381  -2.323
  624    H1     G 107           H1       GUA 107   3.005  10.729  -3.144
  625   1H2     G 107           HN'      GUA 107   4.020  11.555  -4.960
  626   2H2     G 107          HN''      GUA 107   3.287  12.781  -5.970
  627   1H5*    A 108           H5'      ADE 108  -1.055  15.678  -8.259
  628   2H5*    A 108          H5''      ADE 108  -1.811  15.823  -9.858
  629    H4*    A 108           H4'      ADE 108   0.364  14.910 -10.225
  630    H3*    A 108           H3'      ADE 108  -1.937  13.407 -10.928
  631   1H2*    A 108           H2'      ADE 108  -1.655  11.548  -9.615
  632   2H2*    A 108          H2''      ADE 108  -0.324  11.156 -10.731
  633    H1*    A 108           H1'      ADE 108   1.278  11.756  -9.223
  634    H8     A 108           H8       ADE 108  -2.154  11.946  -7.366
  635   1H6     A 108           HN'      ADE 108   0.591   8.484  -3.064
  636   2H6     A 108          HN''      ADE 108  -0.859   9.361  -3.496
  637    H2     A 108           H2       ADE 108   3.579   9.161  -6.343
  638   1H5*    T 109           H5'      THY 109   2.359  12.299 -12.174
  639   2H5*    T 109          H5''      THY 109   2.381  12.029 -13.927
  640    H4*    T 109           H4'      THY 109   4.156  10.731 -12.937
  641    H3*    T 109           H3'      THY 109   1.944   9.430 -14.320
  642   1H2*    T 109           H2'      THY 109   1.614   7.647 -12.951
  643   2H2*    T 109          H2''      THY 109   3.329   7.214 -13.170
  644    H1*    T 109           H1'      THY 109   3.875   8.002 -11.108
  645    H3     T 109           H3       THY 109   1.295   6.140  -7.891
  646   1H5M    T 109           H51      THY 109  -1.859   9.402 -10.924
  647   2H5M    T 109           H52      THY 109  -2.131   9.307  -9.168
  648   3H5M    T 109           H53      THY 109  -2.562   7.932 -10.209
  649    H6     T 109           H6       THY 109   0.380   9.152 -11.529
  650   1H5*    A 110           H5'      ADE 110   5.748   7.143 -13.470
  651   2H5*    A 110          H5''      ADE 110   6.337   6.490 -15.012
  652    H4*    A 110           H4'      ADE 110   6.733   4.912 -13.154
  653    H3*    A 110           H3'      ADE 110   5.521   4.262 -15.626
  654   1H2*    A 110           H2'      ADE 110   3.440   3.568 -14.977
  655   2H2*    A 110          H2''      ADE 110   4.278   2.173 -14.259
  656    H1*    A 110           H1'      ADE 110   3.968   2.936 -12.151
  657    H8     A 110           H8       ADE 110   2.231   5.532 -14.506
  658   1H6     A 110           HN'      ADE 110  -2.070   5.548 -12.243
  659   2H6     A 110          HN''      ADE 110  -2.676   4.759 -10.804
  660    H2     A 110           H2       ADE 110   0.708   2.286  -9.123
  661   1H5*    A 111           H5'      ADE 111   6.624   1.283 -12.524
  662   2H5*    A 111          H5''      ADE 111   7.640  -0.035 -13.141
  663    H4*    A 111           H4'      ADE 111   6.440  -0.888 -11.256
  664    H3*    A 111           H3'      ADE 111   5.921  -1.969 -13.904
  665   1H2*    A 111           H2'      ADE 111   3.668  -2.237 -13.808
  666   2H2*    A 111          H2''      ADE 111   3.876  -3.185 -12.308
  667    H1*    A 111           H1'      ADE 111   3.120  -1.444 -11.049
  668    H8     A 111           H8       ADE 111   3.350   0.147 -14.598
  669   1H6     A 111           HN'      ADE 111  -1.265   1.642 -14.864
  670   2H6     A 111          HN''      ADE 111  -2.625   1.536 -13.770
  671    H2     A 111           H2       ADE 111  -1.176  -0.594 -10.059
  672   1H5*    A 112           H5'      ADE 112   4.919  -4.211 -10.120
  673   2H5*    A 112          H5''      ADE 112   5.386  -5.923 -10.212
  674    H4*    A 112           H4'      ADE 112   3.230  -5.625  -9.032
  675    H3*    A 112           H3'      ADE 112   3.706  -7.445 -11.173
  676   1H2*    A 112           H2'      ADE 112   2.197  -6.693 -12.715
  677   2H2*    A 112          H2''      ADE 112   0.970  -7.343 -11.619
  678    H1*    A 112           H1'      ADE 112   0.369  -5.293 -10.835
  679    H8     A 112           H8       ADE 112   2.824  -4.775 -13.834
  680   1H6     A 112           HN'      ADE 112  -1.729  -1.313 -16.201
  681   2H6     A 112          HN''      ADE 112  -0.123  -1.950 -16.469
  682    H2     A 112           H2       ADE 112  -3.065  -2.753 -12.134
  683   1H5*    C 113           H5'      CYT 113  -0.239  -7.433  -8.613
  684   2H5*    C 113          H5''      CYT 113  -0.312  -9.100  -8.013
  685    H4*    C 113           H4'      CYT 113  -2.553  -8.275  -8.022
  686    H3*    C 113           H3'      CYT 113  -1.828 -10.456  -9.765
  687   1H2*    C 113           H2'      CYT 113  -2.796  -9.815 -11.725
  688   2H2*    C 113          H2''      CYT 113  -4.350  -9.735 -10.860
  689    H1*    C 113           H1'      CYT 113  -4.339  -7.502 -10.867
  690   1H4     C 113           HN'      CYT 113  -0.237  -6.068 -15.941
  691   2H4     C 113          HN''      CYT 113  -1.761  -5.273 -16.268
  692    H5     C 113           H5       CYT 113   0.163  -7.413 -13.964
  693    H6     C 113           H6       CYT 113  -0.918  -8.398 -11.961
  694   1H5*    A 114           H5'      ADE 114  -6.088  -9.155  -9.221
  695   2H5*    A 114          H5''      ADE 114  -7.040 -10.530  -8.629
  696    H4*    A 114           H4'      ADE 114  -8.479  -9.228 -10.034
  697    H3*    A 114           H3'      ADE 114  -7.760 -11.928 -10.798
  698   1H2*    A 114           H2'      ADE 114  -7.321 -11.646 -13.013
  699   2H2*    A 114          H2''      ADE 114  -8.970 -10.994 -13.197
  700    H1*    A 114           H1'      ADE 114  -8.195  -8.890 -13.396
  701    H8     A 114           H8       ADE 114  -4.961 -10.846 -12.639
  702   1H6     A 114           HN'      ADE 114  -2.412  -9.321 -16.475
  703   2H6     A 114          HN''      ADE 114  -2.797  -8.291 -17.835
  704    H2     A 114           H2       ADE 114  -7.059  -6.908 -17.287
  705   1H5*    T 115           H5'      THY 115 -11.101  -9.642 -12.674
  706   2H5*    T 115          H5''      THY 115 -12.595 -10.590 -12.795
  707    H4*    T 115           H4'      THY 115 -12.423  -9.189 -14.749
  708    H3*    T 115           H3'      THY 115 -12.277 -12.119 -15.025
  709   1H2*    T 115           H2'      THY 115 -10.893 -12.216 -16.825
  710   2H2*    T 115          H2''      THY 115 -11.941 -11.055 -17.681
  711    H1*    T 115           H1'      THY 115 -10.499  -9.342 -17.281
  712    H3     T 115           H3       THY 115  -6.335 -10.385 -18.716
  713   1H5M    T 115           H51      THY 115  -7.561 -13.708 -14.586
  714   2H5M    T 115           H52      THY 115  -5.985 -12.886 -14.479
  715   3H5M    T 115           H53      THY 115  -6.270 -14.102 -15.745
  716    H6     T 115           H6       THY 115  -9.108 -12.048 -15.162
  717   1H5*    T 116           H5'      THY 116 -13.805  -9.711 -18.526
  718   2H5*    T 116          H5''      THY 116 -15.213 -10.517 -19.247
  719    H4*    T 116           H4'      THY 116 -13.689  -9.692 -20.984
  720    H3*    T 116           H3'      THY 116 -14.404 -12.533 -20.698
  721   1H2*    T 116           H2'      THY 116 -12.478 -13.474 -21.443
  722   2H2*    T 116          H2''      THY 116 -12.494 -12.392 -22.863
  723    H1*    T 116           H1'      THY 116 -10.871 -11.095 -21.943
  724    H3     T 116           H3       THY 116  -7.372 -13.510 -20.414
  725   1H5M    T 116           H51      THY 116 -10.201 -14.422 -16.496
  726   2H5M    T 116           H52      THY 116 -10.346 -15.870 -17.517
  727   3H5M    T 116           H53      THY 116 -11.718 -14.747 -17.369
  728    H6     T 116           H6       THY 116 -11.960 -13.106 -19.016
  729    H3T    T 116           H3T      THY 116 -14.557 -10.443 -22.485
  730   1H5*    A 117           H5'      ADE 117   0.842 -15.080 -24.867
  731   2H5*    A 117          H5''      ADE 117   2.173 -13.920 -24.684
  732    H4*    A 117           H4'      ADE 117   0.567 -13.011 -26.253
  733    H3*    A 117           H3'      ADE 117   1.304 -11.647 -23.860
  734   1H2*    A 117           H2'      ADE 117  -0.687 -11.184 -22.860
  735   2H2*    A 117          H2''      ADE 117  -1.175 -10.317 -24.344
  736    H1*    A 117           H1'      ADE 117  -2.647 -11.990 -24.803
  737    H8     A 117           H8       ADE 117  -0.540 -14.058 -22.325
  738   1H6     A 117           HN'      ADE 117  -4.145 -15.138 -19.236
  739   2H6     A 117          HN''      ADE 117  -5.834 -14.686 -19.166
  740    H2     A 117           H2       ADE 117  -6.633 -11.977 -22.690
  741    H5T    A 117           H5T      ADE 117   1.738 -13.857 -22.655
  742   1H5*    A 118           H5'      ADE 118  -1.410  -9.373 -26.699
  743   2H5*    A 118          H5''      ADE 118  -0.476  -7.952 -27.208
  744    H4*    A 118           H4'      ADE 118  -2.832  -7.370 -27.143
  745    H3*    A 118           H3'      ADE 118  -0.854  -5.977 -25.612
  746   1H2*    A 118           H2'      ADE 118  -1.732  -6.014 -23.512
  747   2H2*    A 118          H2''      ADE 118  -3.145  -5.146 -24.164
  748    H1*    A 118           H1'      ADE 118  -4.421  -6.990 -23.986
  749    H8     A 118           H8       ADE 118  -0.898  -8.307 -23.133
  750   1H6     A 118           HN'      ADE 118  -2.104 -10.580 -19.002
  751   2H6     A 118          HN''      ADE 118  -3.607 -10.742 -18.122
  752    H2     A 118           H2       ADE 118  -6.772  -8.545 -20.481
  753   1H5*    T 119           H5'      THY 119  -5.008  -4.780 -25.773
  754   2H5*    T 119          H5''      THY 119  -5.269  -3.122 -26.346
  755    H4*    T 119           H4'      THY 119  -7.042  -3.612 -24.826
  756    H3*    T 119           H3'      THY 119  -5.086  -1.577 -24.117
  757   1H2*    T 119           H2'      THY 119  -4.774  -2.111 -21.920
  758   2H2*    T 119          H2''      THY 119  -6.515  -1.827 -21.682
  759    H1*    T 119           H1'      THY 119  -7.007  -4.022 -21.641
  760    H3     T 119           H3       THY 119  -4.845  -6.104 -18.272
  761   1H5M    T 119           H51      THY 119  -0.675  -4.679 -20.063
  762   2H5M    T 119           H52      THY 119  -1.093  -4.203 -21.726
  763   3H5M    T 119           H53      THY 119  -0.942  -5.926 -21.303
  764    H6     T 119           H6       THY 119  -3.348  -3.936 -22.295
  765   1H5*    G 120           H5'      GUA 120  -9.046  -2.218 -22.286
  766   2H5*    G 120          H5''      GUA 120 -10.055  -0.761 -22.368
  767    H4*    G 120           H4'      GUA 120 -10.763  -1.936 -20.425
  768    H3*    G 120           H3'      GUA 120  -9.487   0.628 -20.128
  769   1H2*    G 120           H2'      GUA 120  -7.927   0.147 -18.546
  770   2H2*    G 120          H2''      GUA 120  -9.274  -0.229 -17.455
  771    H1*    G 120           H1'      GUA 120  -8.937  -2.463 -17.631
  772    H8     G 120           H8       GUA 120  -6.143  -0.788 -19.723
  773    H1     G 120           H1       GUA 120  -4.126  -4.999 -15.322
  774   1H2     G 120           HN'      GUA 120  -5.888  -5.891 -14.262
  775   2H2     G 120          HN''      GUA 120  -7.537  -5.455 -14.651
  776   1H5*    T 121           H5'      THY 121 -11.384  -1.444 -16.836
  777   2H5*    T 121          H5''      THY 121 -12.524  -0.501 -15.859
  778    H4*    T 121           H4'      THY 121 -11.405  -1.910 -14.323
  779    H3*    T 121           H3'      THY 121 -10.686   0.953 -14.256
  780   1H2*    T 121           H2'      THY 121  -8.511   0.704 -13.641
  781   2H2*    T 121          H2''      THY 121  -9.041  -0.302 -12.267
  782    H1*    T 121           H1'      THY 121  -8.520  -2.246 -13.341
  783    H3     T 121           H3       THY 121  -4.118  -2.277 -14.340
  784   1H5M    T 121           H51      THY 121  -5.801   0.861 -18.033
  785   2H5M    T 121           H52      THY 121  -4.489   1.508 -17.032
  786   3H5M    T 121           H53      THY 121  -6.166   2.033 -16.753
  787    H6     T 121           H6       THY 121  -7.785   0.409 -15.902
  788   1H5*    T 122           H5'      THY 122 -10.375  -1.734 -10.730
  789   2H5*    T 122          H5''      THY 122 -11.180  -1.016  -9.320
  790    H4*    T 122           H4'      THY 122  -9.267  -2.287  -8.560
  791    H3*    T 122           H3'      THY 122  -9.376   0.629  -8.204
  792   1H2*    T 122           H2'      THY 122  -7.168   1.101  -8.377
  793   2H2*    T 122          H2''      THY 122  -6.793  -0.193  -7.210
  794    H1*    T 122           H1'      THY 122  -6.074  -1.554  -8.882
  795    H3     T 122           H3       THY 122  -3.116   0.561 -11.573
  796   1H5M    T 122           H51      THY 122  -7.963   2.954 -12.252
  797   2H5M    T 122           H52      THY 122  -7.066   2.537 -13.733
  798   3H5M    T 122           H53      THY 122  -6.448   3.801 -12.645
  799    H6     T 122           H6       THY 122  -7.846   1.110 -10.827
  800   1H5*    T 123           H5'      THY 123  -6.844  -2.028  -5.431
  801   2H5*    T 123          H5''      THY 123  -7.268  -1.544  -3.775
  802    H4*    T 123           H4'      THY 123  -4.868  -2.119  -3.992
  803    H3*    T 123           H3'      THY 123  -5.911   0.245  -2.783
  804   1H2*    T 123           H2'      THY 123  -4.942   1.833  -4.121
  805   2H2*    T 123          H2''      THY 123  -3.442   1.399  -3.294
  806    H1*    T 123           H1'      THY 123  -2.662   0.124  -5.011
  807    H3     T 123           H3       THY 123  -1.732   2.830  -8.495
  808   1H5M    T 123           H51      THY 123  -6.141   4.659  -8.131
  809   2H5M    T 123           H52      THY 123  -7.061   3.305  -7.436
  810   3H5M    T 123           H53      THY 123  -6.558   3.258  -9.142
  811    H6     T 123           H6       THY 123  -5.845   1.746  -6.212
  812   1H5*    A 124           H5'      ADE 124  -1.507  -1.693  -2.343
  813   2H5*    A 124          H5''      ADE 124  -1.239  -1.486  -0.608
  814    H4*    A 124           H4'      ADE 124   0.881  -1.731  -1.922
  815    H3*    A 124           H3'      ADE 124   0.373   0.076   0.171
  816   1H2*    A 124           H2'      ADE 124   0.475   2.100  -0.880
  817   2H2*    A 124          H2''      ADE 124   2.219   1.787  -1.053
  818    H1*    A 124           H1'      ADE 124   1.994   1.424  -3.285
  819    H8     A 124           H8       ADE 124  -1.603   2.031  -2.060
  820   1H6     A 124           HN'      ADE 124  -2.745   5.535  -5.214
  821   2H6     A 124          HN''      ADE 124  -1.880   6.292  -6.532
  822    H2     A 124           H2       ADE 124   2.206   4.350  -6.710
  823   1H5*    T 125           H5'      THY 125   4.509   0.166  -1.745
  824   2H5*    T 125          H5''      THY 125   5.787   0.298  -0.523
  825    H4*    T 125           H4'      THY 125   6.419   1.619  -2.432
  826    H3*    T 125           H3'      THY 125   5.983   2.875   0.157
  827   1H2*    T 125           H2'      THY 125   4.735   4.652  -0.572
  828   2H2*    T 125          H2''      THY 125   6.193   5.167  -1.426
  829    H1*    T 125           H1'      THY 125   5.538   4.330  -3.434
  830    H3     T 125           H3       THY 125   2.084   6.740  -5.051
  831   1H5M    T 125           H51      THY 125  -0.760   4.915  -1.699
  832   2H5M    T 125           H52      THY 125   0.064   6.080  -0.636
  833   3H5M    T 125           H53      THY 125   0.394   4.344  -0.479
  834    H6     T 125           H6       THY 125   2.630   4.060  -1.084
  835   1H5*    C 126           H5'      CYT 126   8.769   4.584  -3.460
  836   2H5*    C 126          H5''      CYT 126  10.202   5.174  -2.598
  837    H4*    C 126           H4'      CYT 126   9.839   6.537  -4.578
  838    H3*    C 126           H3'      CYT 126   9.705   7.692  -1.878
  839   1H2*    C 126           H2'      CYT 126   8.165   9.317  -2.192
  840   2H2*    C 126          H2''      CYT 126   8.935   9.807  -3.697
  841    H1*    C 126           H1'      CYT 126   7.277   8.840  -4.897
  842   1H4     C 126           HN'      CYT 126   2.764   8.039  -0.035
  843   2H4     C 126          HN''      CYT 126   2.005   9.008  -1.284
  844    H5     C 126           H5       CYT 126   5.031   7.240  -0.183
  845    H6     C 126           H6       CYT 126   7.045   7.196  -1.583
  846   1H5*    T 127           H5'      THY 127  10.515  10.436  -5.060
  847   2H5*    T 127          H5''      THY 127  11.957  11.427  -4.822
  848    H4*    T 127           H4'      THY 127  10.259  12.774  -5.849
  849    H3*    T 127           H3'      THY 127  11.224  13.401  -3.162
  850   1H2*    T 127           H2'      THY 127   9.275  14.084  -2.212
  851   2H2*    T 127          H2''      THY 127   9.054  15.229  -3.564
  852    H1*    T 127           H1'      THY 127   7.483  13.900  -4.531
  853    H3     T 127           H3       THY 127   4.184  12.810  -1.665
  854   1H5M    T 127           H51      THY 127   8.733  10.596   0.279
  855   2H5M    T 127           H52      THY 127   7.427   9.420  -0.009
  856   3H5M    T 127           H53      THY 127   7.230  10.679   1.228
  857    H6     T 127           H6       THY 127   8.855  11.646  -1.848
  858   1H5*    G 128           H5'      GUA 128   9.381  16.418  -5.695
  859   2H5*    G 128          H5''      GUA 128  10.367  17.878  -5.920
  860    H4*    G 128           H4'      GUA 128   8.060  18.555  -5.873
  861    H3*    G 128           H3'      GUA 128   9.917  19.445  -3.832
  862   1H2*    G 128           H2'      GUA 128   8.672  19.215  -1.954
  863   2H2*    G 128          H2''      GUA 128   7.416  20.238  -2.704
  864    H1*    G 128           H1'      GUA 128   6.097  18.418  -3.034
  865    H8     G 128           H8       GUA 128   9.393  16.784  -1.864
  866    H1     G 128           H1       GUA 128   4.178  15.252   1.558
  867   1H2     G 128           HN'      GUA 128   2.392  16.322   0.731
  868   2H2     G 128          HN''      GUA 128   2.495  17.388  -0.652
  869   1H5*    C 129           H5'      CYT 129   6.065  21.598  -4.046
  870   2H5*    C 129          H5''      CYT 129   6.430  23.269  -4.520
  871    H4*    C 129           H4'      CYT 129   4.513  23.330  -3.073
  872    H3*    C 129           H3'      CYT 129   6.968  24.637  -2.342
  873   1H2*    C 129           H2'      CYT 129   7.274  23.898  -0.209
  874   2H2*    C 129          H2''      CYT 129   5.699  24.631   0.184
  875    H1*    C 129           H1'      CYT 129   4.688  22.640   0.310
  876   1H4     C 129           HN'      CYT 129   9.853  18.665   1.828
  877   2H4     C 129          HN''      CYT 129   8.644  18.452   3.074
  878    H5     C 129           H5       CYT 129   9.588  20.194  -0.033
  879    H6     C 129           H6       CYT 129   8.073  21.810  -1.105
  880   1H5*    A 130           H5'      ADE 130   3.116  25.286  -0.004
  881   2H5*    A 130          H5''      ADE 130   2.778  27.027  -0.037
  882    H4*    A 130           H4'      ADE 130   1.909  26.187   2.028
  883    H3*    A 130           H3'      ADE 130   4.094  28.081   2.050
  884   1H2*    A 130           H2'      ADE 130   5.476  27.147   3.599
  885   2H2*    A 130          H2''      ADE 130   4.122  27.208   4.760
  886    H1*    A 130           H1'      ADE 130   3.812  24.987   4.611
  887    H8     A 130           H8       ADE 130   6.528  25.622   1.954
  888   1H6     A 130           HN'      ADE 130   9.742  22.370   3.590
  889   2H6     A 130          HN''      ADE 130   9.732  21.251   4.935
  890    H2     A 130           H2       ADE 130   5.774  21.769   7.056
  891   1H5*    A 131           H5'      ADE 131   1.867  26.975   5.841
  892   2H5*    A 131          H5''      ADE 131   1.235  28.477   6.543
  893    H4*    A 131           H4'      ADE 131   1.779  27.093   8.390
  894    H3*    A 131           H3'      ADE 131   3.434  29.451   7.915
  895   1H2*    A 131           H2'      ADE 131   5.481  28.620   8.455
  896   2H2*    A 131          H2''      ADE 131   4.809  28.072  10.012
  897    H1*    A 131           H1'      ADE 131   4.771  25.938   9.325
  898    H8     A 131           H8       ADE 131   5.824  27.783   6.105
  899   1H6     A 131           HN'      ADE 131   9.900  25.276   5.284
  900   2H6     A 131          HN''      ADE 131  10.685  23.957   6.124
  901    H2     A 131           H2       ADE 131   8.122  22.963   9.710
  902   1H5*    C 132           H5'      CYT 132   3.285  27.206  11.789
  903   2H5*    C 132          H5''      CYT 132   3.060  28.304  13.163
  904    H4*    C 132           H4'      CYT 132   4.508  26.486  13.840
  905    H3*    C 132           H3'      CYT 132   5.513  29.254  13.760
  906   1H2*    C 132           H2'      CYT 132   7.682  28.801  13.241
  907   2H2*    C 132          H2''      CYT 132   7.746  27.617  14.566
  908    H1*    C 132           H1'      CYT 132   7.584  25.908  13.097
  909   1H4     C 132           HN'      CYT 132  10.086  28.861   7.652
  910   2H4     C 132          HN''      CYT 132  11.194  27.578   8.084
  911    H5     C 132           H5       CYT 132   8.092  29.375   8.918
  912    H6     C 132           H6       CYT 132   6.754  28.749  10.885
  913    H3T    C 132           H3T      CYT 132   5.696  28.839  15.859
   
  No H/Q in entry =         913