*HEADER    DE NOVO PROTEIN, UBIQUITIN              28-JUL-99   1C3T              
*TITLE     ROTAMER STRAIN AS A DETERMINANT OF PROTEIN STRUCTURAL                 
*TITLE    2 SPECIFICITY                                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: 1D8 UBIQUITIN;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: I3L,I13L,L15V,V17L,I23V,V26L,I61L,L67I                     
*SOURCE    MOL_ID: 1                                                             
*KEYWDS    PROTEIN DESIGN, HYDROPHOBIC CORE, PACKING, ROTAMERS, ROC,             
*KEYWDS   2 UBIQUITIN, DE NOVO PROTEIN, UBIQUITIN                                
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    G.A.LAZAR, E.C.JOHNSON, J.R.DESJARLAIS, T.M.HANDEL                    
*REVDAT   1   20-AUG-99 1C3T    0                                                


!____________________________________________
!
! backbone (phi) angle restraints
!_____________________________________________

!restraints from alpha and beta carbon chemical shift data

{sheet I}
! {PHI}
!assign ( residue 1 and name C )
! ( residue 2 and name N )
! ( residue 2 and name CA)
! ( residue 2 and name C )
! 1.0 -120.0 30.0 2
! {PHI}
!assign ( residue 2 and name C )
! ( residue 3 and name N )
! ( residue 3 and name CA)
! ( residue 3 and name C )
! 1.0 -120.0 30.0 2
! {PHI}
!assign ( residue 3 and name C )
! ( residue 4 and name N )
! ( residue 4 and name CA)
! ( residue 4 and name C )
! 1.0 -120.0 30.0 2
! {PHI}
!assign ( residue 4 and name C )
! ( residue 5 and name N )
! ( residue 5 and name CA)
! ( residue 5 and name C )
! 1.0 -120.0 30.0 2
! {PHI}
!assign ( residue 5 and name C )
! ( residue 6 and name N )
! ( residue 6 and name CA)
! ( residue 6 and name C )
! 1.0 -120.0 30.0 2
! {PHI}
!assign ( residue 6 and name C )
! ( residue 7 and name N )
! ( residue 7 and name CA)
! ( residue 7 and name C )
! 1.0 -120.0 30.0 2

{sheet II}
 {PHI}
!assign ( residue 12 and name C )
! ( residue 13 and name N )
! ( residue 13 and name CA)
! ( residue 13 and name C )
! 1.0 -120.0 30.0 2
 {PHI}
assign ( residue 13 and name C )
 ( residue 14 and name N )
 ( residue 14 and name CA)
 ( residue 14 and name C )
 1.0 -120.0 30.0 2
 {PHI}
!assign ( residue 14 and name C )
! ( residue 15 and name N )
! ( residue 15 and name CA)
! ( residue 15 and name C )
! 1.0 -120.0 30.0 2
 {PHI}
assign ( residue 15 and name C )
 ( residue 16 and name N )
 ( residue 16 and name CA)
 ( residue 16 and name C )
 1.0 -120.0 30.0 2
 {PHI}
assign ( residue 16 and name C )
 ( residue 17 and name N )
 ( residue 17 and name CA)
 ( residue 17 and name C )
 1.0 -120.0 30.0 2

{helix I}
 {PHI}
!assign ( residue 22 and name C )
! ( residue 23 and name N )
! ( residue 23 and name CA)
! ( residue 23 and name C )
! 1.0 -63.0 30.0 2
 {PHI}
assign ( residue 23 and name C )
 ( residue 24 and name N )
 ( residue 24 and name CA)
 ( residue 24 and name C )
 1.0 -63.0 30.0 2
 {PHI}
assign ( residue 24 and name C )
 ( residue 25 and name N )
 ( residue 25 and name CA)
 ( residue 25 and name C )
 1.0 -63.0 30.0 2
 {PHI}
assign ( residue 25 and name C )
 ( residue 26 and name N )
 ( residue 26 and name CA)
 ( residue 26 and name C )
 1.0 -63.0 30.0 2
 {PHI}
assign ( residue 26 and name C )
 ( residue 27 and name N )
 ( residue 27 and name CA)
 ( residue 27 and name C )
 1.0 -63.0 30.0 2
 {PHI}
assign ( residue 27 and name C )
 ( residue 28 and name N )
 ( residue 28 and name CA)
 ( residue 28 and name C )
 1.0 -63.0 30.0 2
 {PHI}
assign ( residue 28 and name C )
 ( residue 29 and name N )
 ( residue 29 and name CA)
 ( residue 29 and name C )
 1.0 -63.0 30.0 2
 {PHI}
assign ( residue 29 and name C )
 ( residue 30 and name N )
 ( residue 30 and name CA)
 ( residue 30 and name C )
 1.0 -63.0 30.0 2
 {PHI}
!assign ( residue 30 and name C )
! ( residue 31 and name N )
! ( residue 31 and name CA)
! ( residue 31 and name C )
! 1.0 -63.0 30.0 2


!restraints from hnha data

! extended structure or beta sheet with  J =  10.0
 assi (resid 2 and name C) (resid   3  and name N)
 (resid   3  and name CA) (resid   3  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =  10.4
 assi (resid 3 and name C) (resid   4  and name N)
 (resid   4  and name CA) (resid   4  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =  10.2
 assi (resid 4 and name C) (resid   5  and name N)
 (resid   5  and name CA) (resid   5  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =   9.7
 assi (resid 5 and name C) (resid   6  and name N)
 (resid   6  and name CA) (resid   6  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =   8.9
 assi (resid 6 and name C) (resid   7   and name N)
 (resid   7   and name CA) (resid   7   and name C) 1 -120.0 30.0 2

! alpha helix with J =    4.5
 assi (resid 7 and name C)  (resid   8  and name N)
 (resid   8  and name CA) (resid   8  and name C) 1 -60.0 30.0 2

! extended structure or beta sheet with  J =   9.4
 assi (resid 8 and name C) (resid   9  and name N)
 (resid   9  and name CA) (resid   9  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =  10.1
 assi (resid 11 and name C) (resid  12  and name N)
 (resid  12  and name CA) (resid  12  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =   9.9
 assi (resid 12 and name C) (resid  13  and name N)
 (resid  13  and name CA) (resid  13  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =  10.1
 assi (resid 14 and name C) (resid  15  and name N)
 (resid  15  and name CA) (resid  15  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =   8.7
 assi (resid 17 and name C) (resid  18  and name N)
 (resid  18  and name CA) (resid  18  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =   8.4
 assi (resid 21 and name C) (resid  22   and name N)
 (resid  22   and name CA) (resid  22   and name C) 1 -120.0 30.0 2

! alpha helix with J =    3.8
 assi (resid 22 and name C)  (resid  23  and name N)
 (resid  23  and name CA) (resid  23  and name C) 1 -60.0 30.0 2

! alpha helix with J =    4.2
 assi (resid 30 and name C)  (resid  31    and name N)
 (resid  31    and name CA) (resid  31    and name C) 1 -60.0 30.0 2

! alpha helix with J =    3.5
 assi (resid 31 and name C)  (resid  32    and name N)
 (resid  32    and name CA) (resid  32    and name C) 1 -60.0 30.0 2

! extended structure or beta sheet with  J =  10.1
 assi (resid 33 and name C) (resid  34  and name N)
 (resid  34  and name CA) (resid  34  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =   8.4
 assi (resid 35 and name C) (resid  36  and name N)
 (resid  36  and name CA) (resid  36  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =   9.7
 assi (resid 39 and name C) (resid  40  and name N)
 (resid  40  and name CA) (resid  40  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =   8.5
 assi (resid 40 and name C) (resid  41  and name N)
 (resid  41  and name CA) (resid  41  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =  10.0
 assi (resid 41 and name C) (resid  42  and name N)
 (resid  42  and name CA) (resid  42  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =   9.7
 assi (resid 42 and name C) (resid  43  and name N)
 (resid  43  and name CA) (resid  43  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =  10.4
 assi (resid 43 and name C) (resid  44  and name N)
 (resid  44  and name CA) (resid  44  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =  10.0
 assi (resid 47 and name C) (resid  48  and name N)
 (resid  48  and name CA) (resid  48  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =   8.8
 assi (resid 50 and name C) (resid  51  and name N)
 (resid  51  and name CA) (resid  51  and name C) 1 -120.0 30.0 2

! alpha helix with J =    3.1
 assi (resid 51 and name C)  (resid  52  and name N)
 (resid  52  and name CA) (resid  52  and name C) 1 -60.0 30.0 2

! extended structure or beta sheet with  J =   9.7
 assi (resid 53 and name C) (resid  54  and name N)
 (resid  54  and name CA) (resid  54  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =   9.4
 assi (resid 54 and name C) (resid  55  and name N)
 (resid  55  and name CA) (resid  55  and name C) 1 -120.0 30.0 2

! alpha helix with J =    4.0
 assi (resid 55 and name C)  (resid  56  and name N)
 (resid  56  and name CA) (resid  56  and name C) 1 -60.0 30.0 2

! alpha helix with J =    3.6
 assi (resid 56 and name C)  (resid  57  and name N)
 (resid  57  and name CA) (resid  57  and name C) 1 -60.0 30.0 2

! extended structure or beta sheet with  J =  10.3
 assi (resid 58 and name C) (resid  59  and name N)
 (resid  59  and name CA) (resid  59  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =   9.8
 assi (resid 61 and name C) (resid  62  and name N)
 (resid  62  and name CA) (resid  62  and name C) 1 -120.0 30.0 2

! alpha helix with J =    2.5
 assi (resid 62 and name C)  (resid  63  and name N)
 (resid  63  and name CA) (resid  63  and name C) 1 -60.0 30.0 2

! extended structure or beta sheet with  J =  10.1
 assi (resid 65 and name C) (resid  66  and name N)
 (resid  66  and name CA) (resid  66  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =  10.4
 assi (resid 66 and name C) (resid  67  and name N)
 (resid  67  and name CA) (resid  67  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =   9.7
 assi (resid 67 and name C) (resid  68  and name N)
 (resid  68  and name CA) (resid  68  and name C) 1 -120.0 30.0 2

! extended structure or beta sheet with  J =  10.2
 assi (resid 69 and name C) (resid  70  and name N)
 (resid  70  and name CA) (resid  70  and name C) 1 -120.0 30.0 2



!___________________________________________________
!
! side chain (chi) angle restraints
!___________________________________________________

!chi1's from hacahb and hnhb data 

! leu3 chi1
assi (resid 3 and name N) (resid 3 and name CA)
         (resid 3 and name CB) (resid 3 and name CG) 1.0 -60.0 30.0 2

! phe4 chi1
assi (resid 4 and name N) (resid 4 and name CA)
         (resid 4 and name CB) (resid 4 and name CG) 1.0 -60.0 30.0 2

! lys6 chi1
assi (resid 6 and name N) (resid 6 and name CA)
         (resid 6 and name CB) (resid 6 and name CG) 1.0 60.0 30.0 2

! glu18 chi1
assi (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

! ser20 chi1
assi (resid 20 and name N) (resid 20 and name CA)
         (resid 20 and name CB) (resid 20 and name OG) 1.0 60.0 30.0 2

! asp21 chi1
assi (resid 21 and name N) (resid 21 and name CA)
         (resid 21 and name CB) (resid 21 and name CG) 1.0 -60.0 30.0 2

! asn25 chi1
assi (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

! leu26 chi1
assi (resid 26 and name N) (resid 26 and name CA)
         (resid 26 and name CB) (resid 26 and name CG) 1.0 180.0 30.0 2

! lys27 chi1
assi (resid 27 and name N) (resid 27 and name CA)
         (resid 27 and name CB) (resid 27 and name CG) 1.0 -60.0 30.0 2

! lys29 chi1
assi (resid 29 and name N) (resid 29 and name CA)
         (resid 29 and name CB) (resid 29 and name CG) 1.0 -60.0 30.0 2

! gln40 chi1
assi (resid 40 and name N) (resid 40 and name CA)
         (resid 40 and name CB) (resid 40 and name CG) 1.0 -60.0 30.0 2

! leu43 chi1
assi (resid 43 and name N) (resid 43 and name CA)
         (resid 43 and name CB) (resid 43 and name CG) 1.0 -60.0 30.0 2

! leu50 chi1
assi (resid 50 and name N) (resid 50 and name CA)
         (resid 50 and name CB) (resid 50 and name CG) 1.0 -60.0 30.0 2

! glu51 chi1
assi (resid 51 and name N) (resid 51 and name CA)
         (resid 51 and name CB) (resid 51 and name CG) 1.0 -60.0 30.0 2

! leu56 chi1
assi (resid 56 and name N) (resid 56 and name CA)
         (resid 56 and name CB) (resid 56 and name CG) 1.0 -60.0 30.0 2

! asp58 chi1
assi (resid 58 and name N) (resid 58 and name CA)
         (resid 58 and name CB) (resid 58 and name CG) 1.0 -60.0 30.0 2

! tyr59 chi1
assi (resid 59 and name N) (resid 59 and name CA)
         (resid 59 and name CB) (resid 59 and name CG) 1.0 -60.0 30.0 2

! asn60 chi1
assi (resid 60 and name N) (resid 60 and name CA)
         (resid 60 and name CB) (resid 60 and name CG) 1.0 60.0 30.0 2

! gln62 chi1
assi (resid 62 and name N) (resid 62 and name CA)
         (resid 62 and name CB) (resid 62 and name CG) 1.0 -60.0 30.0 2

! ser65 chi1
assi (resid 65 and name N) (resid 65 and name CA)
         (resid 65 and name CB) (resid 65 and name OG) 1.0 -60.0 30.0 2


!chi1's for val's, thr's, and ile's from jcnc and jccoc experiments

! val5 chi1
assi (resid 5 and name N) (resid 5 and name CA)
         (resid 5 and name CB) (resid 5 and name CG1) 1.0 180.0 30.0 2

! thr7 chi1
assi (resid 7 and name N) (resid 7 and name CA)
         (resid 7 and name CB) (resid 7 and name OG1) 1.0 60.0 30.0 2

! thr9 chi1
assi (resid 9 and name N) (resid 9 and name CA)
         (resid 9 and name CB) (resid 9 and name OG1) 1.0 60.0 30.0 2

! thr12 chi1
assi (resid 12 and name N) (resid 12 and name CA)
         (resid 12 and name CB) (resid 12 and name OG1) 1.0 -60.0 30.0 2

! thr14 chi1
assi (resid 14 and name N) (resid 14 and name CA)
         (resid 14 and name CB) (resid 14 and name OG1) 1.0 -60.0 30.0 2

! val15 chi1
assi (resid 15 and name N) (resid 15 and name CA)
         (resid 15 and name CB) (resid 15 and name CG1) 1.0 -60.0 30.0 2

! thr22 chi1
assi (resid 22 and name N) (resid 22 and name CA)
         (resid 22 and name CB) (resid 22 and name OG1) 1.0 60.0 30.0 2

! val23 chi1
assi (resid 23 and name N) (resid 23 and name CA)
         (resid 23 and name CB) (resid 23 and name CG1) 1.0 180.0 30.0 2

! ile30 chi1
assi (resid 30 and name N) (resid 30 and name CA)
         (resid 30 and name CB) (resid 30 and name CG1) 1.0 -60.0 30.0 2

! ile36 chi1
assi (resid 36 and name N) (resid 36 and name CA)
         (resid 36 and name CB) (resid 36 and name CG1) 1.0 -60.0 30.0 2

! ile44 chi1
assi (resid 44 and name N) (resid 44 and name CA)
         (resid 44 and name CB) (resid 44 and name CG1) 1.0 -60.0 30.0 2

! thr55 chi1
assi (resid 55 and name N) (resid 55 and name CA)
         (resid 55 and name CB) (resid 55 and name OG1) 1.0 60.0 30.0 2

! ile67 chi1
assi (resid 67 and name N) (resid 67 and name CA)
         (resid 67 and name CB) (resid 67 and name CG1) 1.0 -60.0 30.0 2


!chi2's of leucines from lrcc experiment

! leu3 chi2
assi (resid 3 and name CA) (resid 3 and name CB)
         (resid 3 and name CG) (resid 3 and name CD1) 1.0 180.0 30.0 2

! leu26 chi2
assi (resid 26 and name CA) (resid 26 and name CB)
         (resid 26 and name CG) (resid 26 and name CD1) 1.0 60.0 30.0 2

! leu43 chi2
assi (resid 43 and name CA) (resid 43 and name CB)
         (resid 43 and name CG) (resid 43 and name CD1) 1.0 180.0 30.0 2

! leu50 chi2
assi (resid 50 and name CA) (resid 50 and name CB)
         (resid 50 and name CG) (resid 50 and name CD1) 1.0 180.0 30.0 2

! leu56 chi2
assi (resid 56 and name CA) (resid 56 and name CB)
         (resid 56 and name CG) (resid 56 and name CD1) 1.0 180.0 30.0 2



!_______________________________________________________
!
! H-bond restraints
!______________________________________________________

!Restraints for slow exchanging amides (peaks still present in HSQC after
! one hour of hydrogen/deuterium exchange)
!Acceptors determined by looking at preliminary structures in insight.
!
!Restrain hydrogen-acceptor distance between 1.7 and 2.2A
!Restrain donor-acceptor distance between 2.7 and 3.2A
!This should restrain the donor-hydrogen-acceptor distance to be greater than 110deg
! (Nilges, JMB)

assign (resid 3 and name HN ) (resid 15 and name O ) 1.7 0.0 0.5
assign (resid 3 and name N ) (resid 15 and name O ) 2.7 0.0 0.5

assign (resid 4 and name HN ) (resid 65 and name O ) 1.7 0.0 0.5
assign (resid 4 and name N ) (resid 65 and name O ) 2.7 0.0 0.5
 
assign (resid 5 and name HN ) (resid 13 and name O ) 1.7 0.0 0.5
assign (resid 5 and name N ) (resid 13 and name O ) 2.7 0.0 0.5

assign (resid 6 and name HN ) (resid 67 and name O ) 1.7 0.0 0.5
assign (resid 6 and name N ) (resid 67 and name O ) 2.7 0.0 0.5

assign (resid 13 and name HN ) (resid 5 and name O ) 1.7 0.0 0.5
assign (resid 13 and name N ) (resid 5 and name O ) 2.7 0.0 0.5

assign (resid 15 and name HN ) (resid 3 and name O ) 1.7 0.0 0.5
assign (resid 15 and name N ) (resid 3 and name O ) 2.7 0.0 0.5

assign (resid 17 and name HN ) (resid 1 and name O ) 1.7 0.0 0.5
assign (resid 17 and name N ) (resid 1 and name O ) 2.7 0.0 0.5
 
assign (resid 18 and name HN ) ((resid 21 and name OD1 ) OR (resid 21 and name OD2)) 1.7 0.0 0.5
assign (resid 18 and name N ) ((resid 21 and name OD1 ) OR (resid 21 and name OD2)) 2.7 0.0 0.5

assign (resid 21 and name HN ) (resid 18 and name O ) 1.7 0.0 0.5
assign (resid 21 and name N ) (resid 18 and name O ) 2.7 0.0 0.5

assign (resid 22 and name HN ) (resid 25 and name OD1 ) 1.7 0.0 0.5
assign (resid 22 and name N ) (resid 25 and name OD1 ) 2.7 0.0 0.5

assign (resid 23 and name HN ) (resid 54 and name O ) 1.7 0.0 0.5
assign (resid 23 and name N ) (resid 54 and name O ) 2.7 0.0 0.5

assign (resid 25 and name HN )
((resid 22 and name OG1 ) OR (resid 22 and name O )) 1.7 0.0 0.5
assign (resid 25 and name N ) 
((resid 22 and name OG1 ) OR (resid 22 and name O )) 2.7 0.0 0.5

assign (resid 26 and name HN ) (resid 22 and name O ) 1.7 0.0 0.5
assign (resid 26 and name N ) (resid 22 and name O ) 2.7 0.0 0.5

assign (resid 27 and name HN ) (resid 23 and name O ) 1.7 0.0 0.5
assign (resid 27 and name N ) (resid 23 and name O ) 2.7 0.0 0.5

assign (resid 28 and name HN ) (resid 24 and name O ) 1.7 0.0 0.5
assign (resid 28 and name N ) (resid 24 and name O ) 2.7 0.0 0.5

assign (resid 29 and name HN ) (resid 25 and name O ) 1.7 0.0 0.5
assign (resid 29 and name N ) (resid 25 and name O ) 2.7 0.0 0.5

assign (resid 30 and name HN ) (resid 26 and name O ) 1.7 0.0 0.5
assign (resid 30 and name N ) (resid 26 and name O ) 2.7 0.0 0.5

assign (resid 31 and name HN ) (resid 27 and name O ) 1.7 0.0 0.5
assign (resid 31 and name N ) (resid 27 and name O ) 2.7 0.0 0.5

assign (resid 36 and name HN ) (resid 30 and name O ) 1.7 0.0 0.5
assign (resid 36 and name N ) (resid 30 and name O ) 2.7 0.0 0.5 
 
assign (resid 40 and name HN ) 
((resid 37 and name O ) OR (resid 38 and name O )) 1.7 0.0 0.5
assign (resid 40 and name N ) 
((resid 37 and name O ) OR (resid 38 and name O )) 2.7 0.0 0.5

assign (resid 41 and name HN ) 
((resid 37 and name O ) OR (resid 38 and name O )) 1.7 0.0 0.5
assign (resid 41 and name N ) 
((resid 37 and name O ) OR (resid 38 and name O )) 2.7 0.0 0.5

assign (resid 42 and name HN ) (resid 70 and name O ) 1.7 0.0 0.5
assign (resid 42 and name N ) (resid 70 and name O ) 2.7 0.0 0.5

assign (resid 44 and name HN ) (resid 68 and name O ) 1.7 0.0 0.5
assign (resid 44 and name N ) (resid 68 and name O ) 2.7 0.0 0.5

assign (resid 45 and name HN ) (resid 48 and name O ) 1.7 0.0 0.5
assign (resid 45 and name N ) (resid 48 and name O ) 2.7 0.0 0.5

assign (resid 48 and name HN ) (resid 45 and name O ) 1.7 0.0 0.5 
assign (resid 48 and name N ) (resid 45 and name O ) 2.7 0.0 0.5 

assign (resid 50 and name HN ) (resid 43 and name O ) 1.7 0.0 0.5
assign (resid 50 and name N ) (resid 43 and name O ) 2.7 0.0 0.5

assign (resid 51 and name HN ) (resid 59 and name OH ) 1.7 0.0 0.5
assign (resid 51 and name N ) (resid 59 and name OH ) 2.7 0.0 0.5

assign (resid 54 and name HN ) (resid 51 and name O ) 1.7 0.0 0.5
assign (resid 54 and name N ) (resid 51 and name O ) 2.7 0.0 0.5

assign (resid 55 and name HN )
( (resid 58 and name OD1 ) OR (resid 58 and name OD2) ) 1.7 0.0 0.5
assign (resid 55 and name N ) 
( (resid 58 and name OD1 ) OR (resid 58 and name OD2) ) 2.7 0.0 0.5
 
assign (resid 56 and name HN ) (resid 21 and name O ) 1.7 0.0 0.5
assign (resid 56 and name N ) (resid 21 and name O ) 2.7 0.0 0.5

assign (resid 59 and name HN )
((resid 55 and name O ) OR (resid 56 and name O )) 1.7 0.0 0.5
assign (resid 59 and name N ) 
((resid 55 and name O ) OR (resid 56 and name O )) 2.7 0.0 0.5

assign (resid 69 and name HN ) (resid 6 and name O ) 1.7 0.0 0.5
assign (resid 69 and name N ) (resid 6 and name O ) 2.7 0.0 0.5

assign (resid 70 and name HN ) (resid 42 and name O ) 1.7 0.0 0.5
assign (resid 70 and name N ) (resid 42 and name O ) 2.7 0.0 0.5

assign (resid 41 and name HE21) 
((resid 27 and name O ) OR (resid 36 and name O )) 1.7 0.0 0.5

assign (resid 41 and name HE22) 
((resid 27 and name O ) OR (resid 36 and name O )) 1.7 0.0 0.5

assign (resid 41 and name NE2) 
((resid 27 and name O ) OR (resid 36 and name O )) 2.7 0.0 0.5



!________________________________________________________
! 
! NOE restraints
!_______________________________________________________

! all NOE's from 3 experiments:
! 3D 15N-edited NOESY
! 3D 13C-edited NOESY
! 4d 13C/13C-edited NOESY

 ASSI { 5551}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "56  " and name "HD21")
      6.000     6.000     0.000 peak  5551 weight  0.10000E+01 volume  0.18900E+00 ppm1      6.846 ppm2      0.544
 OR { 5551}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 5551}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 5551}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 5551}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 5551}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 5551}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 5551}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 5551}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 5551}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 5551}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 5551}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "61  " and name "HD13")
 ASSI { 5544}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "59  " and name "HA  ")
      6.000     6.000     0.000 peak  5544 weight  0.10000E+01 volume  0.25700E+00 ppm1      6.840 ppm2      4.541
 OR { 5544}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "59  " and name "HA  ")
 OR { 5544}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "51  " and name "HA  ")
 OR { 5544}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "51  " and name "HA  ")
 ASSI { 5548}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "23  " and name "HG13")
      6.000     6.000     0.000 peak  5548 weight  0.10000E+01 volume  0.20200E+00 ppm1      6.840 ppm2      0.721
 OR { 5548}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "26  " and name "HD12")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "3   " and name "HD21")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "3   " and name "HD22")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "17  " and name "HD21")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "3   " and name "HD22")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "3   " and name "HD21")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "26  " and name "HD12")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 5548}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "17  " and name "HD21")
 ASSI { 5540}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "50  " and name "HD21")
      5.000     5.000     0.000 peak  5540 weight  0.10000E+01 volume  0.55800E+00 ppm1      6.845 ppm2      0.037
 OR { 5540}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HD23")
 OR { 5540}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "50  " and name "HD23")
 OR { 5540}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HD22")
 OR { 5540}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HD21")
 OR { 5540}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "50  " and name "HD22")
 ASSI { 5547}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "56  " and name "HA  ")
      6.000     6.000     0.000 peak  5547 weight  0.10000E+01 volume  0.19100E+00 ppm1      6.845 ppm2      4.095
 OR { 5547}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "56  " and name "HA  ")
 ASSI { 5541}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "54  " and name "HD2 ")
      5.000     5.000     0.000 peak  5541 weight  0.10000E+01 volume  0.41700E+00 ppm1      6.846 ppm2      3.177
 OR { 5541}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "54  " and name "HD1 ")
 OR { 5541}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HE1 ")
 OR { 5541}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HE2 ")
 OR { 5541}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HE1 ")
 OR { 5541}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "54  " and name "HD2 ")
 OR { 5541}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HE2 ")
 OR { 5541}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "54  " and name "HD1 ")
 ASSI { 5538}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HB1 ")
      5.000     5.000     0.000 peak  5538 weight  0.10000E+01 volume  0.13370E+01 ppm1      6.842 ppm2      1.939
 OR { 5538}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HB1 ")
 OR { 5538}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "54  " and name "HG1 ")
 OR { 5538}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "54  " and name "HG1 ")
 OR { 5538}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "51  " and name "HB2 ")
 OR { 5538}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "51  " and name "HB2 ")
 ASSI { 5546}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "59  " and name "HB2 ")
      5.000     5.000     0.000 peak  5546 weight  0.10000E+01 volume  0.30500E+00 ppm1      6.842 ppm2      2.573
 OR { 5546}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "59  " and name "HB2 ")
 ASSI { 8399}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "54  " and name "HG2 ")
      5.000     5.000     0.000 peak  8399 weight  0.10000E+01 volume  0.34800E+00 ppm1      6.845 ppm2      1.634
 OR { 8399}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "54  " and name "HG2 ")
 ASSI { 5554}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "50  " and name "HA  ")
      5.000     5.000     0.000 peak  5554 weight  0.10000E+01 volume  0.74300E+00 ppm1      6.844 ppm2      3.860
 OR { 5554}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HA  ")
 ASSI { 5535}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "54  " and name "HN  ")
      5.000     5.000     0.000 peak  5535 weight  0.10000E+01 volume  0.36100E+00 ppm1      6.845 ppm2      7.494
 OR { 5535}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "54  " and name "HN  ")
 OR { 5535}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "59  " and name "HN  ")
 OR { 5535}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "59  " and name "HN  ")
 ASSI { 5555}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "51  " and name "HN  ")
      5.000     5.000     0.000 peak  5555 weight  0.10000E+01 volume  0.89100E+00 ppm1      6.845 ppm2      8.209
 OR { 5555}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "51  " and name "HN  ")
 ASSI { 5550}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HG2 ")
      5.000     5.000     0.000 peak  5550 weight  0.10000E+01 volume  0.31600E+00 ppm1      6.848 ppm2      1.548
 OR { 5550}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HG2 ")
 OR { 5550}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HG1 ")
 OR { 5550}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HG1 ")
 ASSI { 5552}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "23  " and name "HG22")
      3.300     3.300     0.000 peak  5552 weight  0.10000E+01 volume  0.25540E+01 ppm1      6.843 ppm2      1.013
 OR { 5552}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 5552}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 5552}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 5552}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 5552}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 5552}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HG  ")
 OR { 5552}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "50  " and name "HG  ")
 ASSI { 5553}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "58  " and name "HB2 ")
      6.000     6.000     0.000 peak  5553 weight  0.10000E+01 volume  0.28300E+00 ppm1      6.841 ppm2      2.932
 OR { 5553}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "58  " and name "HB2 ")
 OR { 5553}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 5553}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "45  " and name "HB1 ")
 ASSI { 5556}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "55  " and name "HN  ")
      6.000     6.000     0.000 peak  5556 weight  0.10000E+01 volume  0.15200E+00 ppm1      6.844 ppm2      8.710
 OR { 5556}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "55  " and name "HN  ")
 OR { 5556}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "57  " and name "HN  ")
 OR { 5556}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "57  " and name "HN  ")
 ASSI { 5545}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "59  " and name "HB1 ")
      6.000     6.000     0.000 peak  5545 weight  0.10000E+01 volume  0.25300E+00 ppm1      6.841 ppm2      3.434
 OR { 5545}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "59  " and name "HB1 ")
 OR { 5545}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 5545}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "23  " and name "HA  ")
 ASSI { 5543}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HB1 ")
      5.000     5.000     0.000 peak  5543 weight  0.10000E+01 volume  0.40900E+00 ppm1      6.847 ppm2      1.117
 OR { 5543}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "50  " and name "HB1 ")
 ASSI { 5417}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "68  " and name "HA  ")
      6.000     6.000     0.000 peak  5417 weight  0.10000E+01 volume  0.12700E+00 ppm1      7.063 ppm2      5.015
 ASSI { 5418}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "6   " and name "HG1 ")
      6.000     6.000     0.000 peak  5418 weight  0.10000E+01 volume  0.12700E+00 ppm1      7.060 ppm2      1.393
 OR { 5418}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "6   " and name "HB1 ")
 ASSI { 5414}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "66  " and name "HG23")
      5.000     5.000     0.000 peak  5414 weight  0.10000E+01 volume  0.36300E+00 ppm1      7.061 ppm2      0.905
 OR { 5414}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "66  " and name "HG21")
 OR { 5414}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "66  " and name "HG22")
 ASSI { 5416}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "5   " and name "HG11")
      6.000     6.000     0.000 peak  5416 weight  0.10000E+01 volume  0.18600E+00 ppm1      7.060 ppm2      0.689
 OR { 5416}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "5   " and name "HG12")
 OR { 5416}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 5416}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 5416}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "5   " and name "HG13")
 OR { 5416}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 5416}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 5416}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 5416}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 5416}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "5   " and name "HG23")
 OR { 5416}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "5   " and name "HG22")
 OR { 5416}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "5   " and name "HG21")
 OR { 5416}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 5416}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "44  " and name "HD13")
 ASSI { 5420}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "68  " and name "HB2 ")
      5.000     5.000     0.000 peak  5420 weight  0.10000E+01 volume  0.44900E+00 ppm1      7.063 ppm2      3.056
 OR { 5420}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "68  " and name "HB1 ")
 ASSI { 5422}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "68  " and name "HN  ")
      5.000     5.000     0.000 peak  5422 weight  0.10000E+01 volume  0.30100E+00 ppm1      7.063 ppm2      9.354
 ASSI { 5415}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "6   " and name "HB2 ")
      6.000     6.000     0.000 peak  5415 weight  0.10000E+01 volume  0.13100E+00 ppm1      7.061 ppm2      1.673
 OR { 5415}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 5415}
     (segid "    " and resid "68  " and name "HD2 ")
     (segid "    " and resid "43  " and name "HB2 ")
 ASSI { 4329}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "47  " and name "HA1 ")
      6.000     6.000     0.000 peak  4329 weight  0.10000E+01 volume  0.87000E-01 ppm1      0.656 ppm2      4.116
 OR { 4329}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "47  " and name "HA1 ")
 OR { 4329}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "47  " and name "HA1 ")
 OR { 4329}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 4329}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 4329}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 4331}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "69  " and name "HA  ")
      6.000     6.000     0.000 peak  4331 weight  0.10000E+01 volume  0.71000E-01 ppm1      0.657 ppm2      5.069
 OR { 4331}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 4331}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "69  " and name "HA  ")
 ASSI { 4330}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "48  " and name "HA  ")
      6.000     6.000     0.000 peak  4330 weight  0.10000E+01 volume  0.68000E-01 ppm1      0.659 ppm2      4.674
 OR { 4330}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "48  " and name "HA  ")
 OR { 4330}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "48  " and name "HA  ")
 OR { 4330}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 4330}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 4330}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "67  " and name "HA  ")
 ASSI { 4327}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "43  " and name "HN  ")
      6.000     6.000     0.000 peak  4327 weight  0.10000E+01 volume  0.99000E-01 ppm1      0.656 ppm2      8.977
 OR { 4327}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "43  " and name "HN  ")
 OR { 4327}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "43  " and name "HN  ")
 OR { 4327}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "46  " and name "HN  ")
 OR { 4327}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "46  " and name "HN  ")
 OR { 4327}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "46  " and name "HN  ")
 ASSI { 4318}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "42  " and name "HD1 ")
      5.000     5.000     0.000 peak  4318 weight  0.10000E+01 volume  0.11430E+01 ppm1      0.655 ppm2      3.070
 OR { 4318}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "42  " and name "HD1 ")
 OR { 4318}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 4318}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 4318}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "42  " and name "HD1 ")
 OR { 4318}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 4318}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 4318}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 4318}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 4318}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 4318}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 4318}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "68  " and name "HB1 ")
 ASSI { 4328}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "47  " and name "HA2 ")
      6.000     6.000     0.000 peak  4328 weight  0.10000E+01 volume  0.40000E-01 ppm1      0.657 ppm2      3.464
 OR { 4328}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "47  " and name "HA2 ")
 OR { 4328}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "47  " and name "HA2 ")
 ASSI { 4325}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "43  " and name "HA  ")
      6.000     6.000     0.000 peak  4325 weight  0.10000E+01 volume  0.14500E+00 ppm1      0.656 ppm2      5.284
 OR { 4325}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "43  " and name "HA  ")
 OR { 4325}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "43  " and name "HA  ")
 ASSI { 4319}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "44  " and name "HN  ")
      5.000     5.000     0.000 peak  4319 weight  0.10000E+01 volume  0.73600E+00 ppm1      0.657 ppm2      9.150
 OR { 4319}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "44  " and name "HN  ")
 OR { 4319}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "44  " and name "HN  ")
 OR { 4319}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "45  " and name "HN  ")
 OR { 4319}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "45  " and name "HN  ")
 OR { 4319}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "45  " and name "HN  ")
 ASSI { 4321}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "49  " and name "HN  ")
      5.000     5.000     0.000 peak  4321 weight  0.10000E+01 volume  0.45700E+00 ppm1      0.656 ppm2      8.622
 OR { 4321}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "49  " and name "HN  ")
 OR { 4321}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "50  " and name "HN  ")
 OR { 4321}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "49  " and name "HN  ")
 OR { 4321}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "50  " and name "HN  ")
 OR { 4321}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "50  " and name "HN  ")
 ASSI { 4324}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "48  " and name "HN  ")
      6.000     6.000     0.000 peak  4324 weight  0.10000E+01 volume  0.16700E+00 ppm1      0.660 ppm2      8.073
 OR { 4324}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "48  " and name "HN  ")
 OR { 4324}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "48  " and name "HN  ")
 OR { 4324}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "47  " and name "HN  ")
 OR { 4324}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "47  " and name "HN  ")
 OR { 4324}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "47  " and name "HN  ")
 OR { 4324}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "71  " and name "HN  ")
 OR { 4324}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "71  " and name "HN  ")
 OR { 4324}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "71  " and name "HN  ")
 ASSI { 4326}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "42  " and name "HA  ")
      6.000     6.000     0.000 peak  4326 weight  0.10000E+01 volume  0.13600E+00 ppm1      0.655 ppm2      4.446
 OR { 4326}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "42  " and name "HA  ")
 OR { 4326}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "42  " and name "HA  ")
 OR { 4326}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 4326}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 4326}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "70  " and name "HA  ")
 ASSI { 5568}
     (segid "    " and resid "4   " and name "HZ  ")
     (segid "    " and resid "64  " and name "HG2 ")
      5.000     5.000     0.000 peak  5568 weight  0.10000E+01 volume  0.40000E+00 ppm1      7.228 ppm2      2.175
 OR { 5568}
     (segid "    " and resid "4   " and name "HZ  ")
     (segid "    " and resid "64  " and name "HG1 ")
 ASSI { 5580}
     (segid "    " and resid "4   " and name "HZ  ")
     (segid "    " and resid "64  " and name "HA  ")
      6.000     6.000     0.000 peak  5580 weight  0.10000E+01 volume  0.11500E+00 ppm1      7.232 ppm2      3.329
 ASSI { 5576}
     (segid "    " and resid "4   " and name "HZ  ")
     (segid "    " and resid "14  " and name "HG22")
      6.000     6.000     0.000 peak  5576 weight  0.10000E+01 volume  0.13200E+00 ppm1      7.227 ppm2      1.071
 OR { 5576}
     (segid "    " and resid "4   " and name "HZ  ")
     (segid "    " and resid "14  " and name "HG21")
 OR { 5576}
     (segid "    " and resid "4   " and name "HZ  ")
     (segid "    " and resid "14  " and name "HG23")
 ASSI { 3850}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "36  " and name "HN  ")
      5.000     5.000     0.000 peak  3850 weight  0.10000E+01 volume  0.62500E+00 ppm1      0.815 ppm2      6.194
 OR { 3850}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "36  " and name "HN  ")
 OR { 3850}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "36  " and name "HN  ")
 ASSI { 3847}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "34  " and name "HB1 ")
      3.300     3.300     0.000 peak  3847 weight  0.10000E+01 volume  0.18180E+01 ppm1      0.814 ppm2      2.134
 OR { 3847}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "34  " and name "HB1 ")
 OR { 3847}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 3847}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "34  " and name "HB1 ")
 OR { 3847}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "34  " and name "HG2 ")
 OR { 3847}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "34  " and name "HG2 ")
 OR { 3847}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 3847}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 3847}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "34  " and name "HG2 ")
 ASSI { 3855}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "41  " and name "HG1 ")
      5.000     5.000     0.000 peak  3855 weight  0.10000E+01 volume  0.31900E+00 ppm1      0.812 ppm2      2.491
 OR { 3855}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "41  " and name "HG1 ")
 OR { 3855}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "41  " and name "HG1 ")
 OR { 3855}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "40  " and name "HB1 ")
 OR { 3855}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "40  " and name "HB1 ")
 OR { 3855}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "40  " and name "HB1 ")
 ASSI { 3860}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "37  " and name "HD2 ")
      6.000     6.000     0.000 peak  3860 weight  0.10000E+01 volume  0.10400E+00 ppm1      0.812 ppm2      3.546
 OR { 3860}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "37  " and name "HD2 ")
 OR { 3860}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "37  " and name "HD2 ")
 ASSI { 3854}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "37  " and name "HD1 ")
      5.000     5.000     0.000 peak  3854 weight  0.10000E+01 volume  0.31900E+00 ppm1      0.812 ppm2      4.150
 OR { 3854}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "37  " and name "HD1 ")
 OR { 3854}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "35  " and name "HA1 ")
 OR { 3854}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "37  " and name "HD1 ")
 OR { 3854}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "35  " and name "HA1 ")
 OR { 3854}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 3854}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 3854}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "35  " and name "HA1 ")
 OR { 3854}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 5588}
     (segid "    " and resid "45  " and name "HZ  ")
     (segid "    " and resid "61  " and name "HD21")
      6.000     6.000     0.000 peak  5588 weight  0.10000E+01 volume  0.19800E+00 ppm1      7.451 ppm2     -0.091
 OR { 5588}
     (segid "    " and resid "45  " and name "HZ  ")
     (segid "    " and resid "61  " and name "HD22")
 OR { 5588}
     (segid "    " and resid "45  " and name "HZ  ")
     (segid "    " and resid "61  " and name "HD23")
 ASSI { 5591}
     (segid "    " and resid "45  " and name "HZ  ")
     (segid "    " and resid "65  " and name "HB1 ")
      6.000     6.000     0.000 peak  5591 weight  0.10000E+01 volume  0.15200E+00 ppm1      7.454 ppm2      3.811
 ASSI { 5590}
     (segid "    " and resid "45  " and name "HZ  ")
     (segid "    " and resid "46  " and name "HB2 ")
      6.000     6.000     0.000 peak  5590 weight  0.10000E+01 volume  0.13900E+00 ppm1      7.447 ppm2      0.770
 OR { 5590}
     (segid "    " and resid "45  " and name "HZ  ")
     (segid "    " and resid "46  " and name "HB1 ")
 OR { 5590}
     (segid "    " and resid "45  " and name "HZ  ")
     (segid "    " and resid "46  " and name "HB3 ")
 OR { 5590}
     (segid "    " and resid "45  " and name "HZ  ")
     (segid "    " and resid "3   " and name "HD21")
 OR { 5590}
     (segid "    " and resid "45  " and name "HZ  ")
     (segid "    " and resid "3   " and name "HD22")
 ASSI { 5589}
     (segid "    " and resid "45  " and name "HZ  ")
     (segid "    " and resid "61  " and name "HA  ")
      6.000     6.000     0.000 peak  5589 weight  0.10000E+01 volume  0.27800E+00 ppm1      7.460 ppm2      3.690
 OR { 5589}
     (segid "    " and resid "45  " and name "HZ  ")
     (segid "    " and resid "65  " and name "HB2 ")
 ASSI { 5574}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "64  " and name "HB1 ")
      5.000     5.000     0.000 peak  5574 weight  0.10000E+01 volume  0.41300E+00 ppm1      7.249 ppm2      2.440
 OR { 5574}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "64  " and name "HB1 ")
 ASSI { 5572}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "64  " and name "HG2 ")
      5.000     5.000     0.000 peak  5572 weight  0.10000E+01 volume  0.33200E+00 ppm1      7.254 ppm2      2.178
 OR { 5572}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "2   " and name "HG1 ")
 OR { 5572}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "64  " and name "HG2 ")
 OR { 5572}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "64  " and name "HG1 ")
 OR { 5572}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "64  " and name "HG1 ")
 OR { 5572}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "2   " and name "HG1 ")
 ASSI { 5578}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "64  " and name "HB2 ")
      6.000     6.000     0.000 peak  5578 weight  0.10000E+01 volume  0.23000E+00 ppm1      7.252 ppm2      2.362
 OR { 5578}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "64  " and name "HB2 ")
 ASSI { 5579}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "14  " and name "HG23")
      5.000     5.000     0.000 peak  5579 weight  0.10000E+01 volume  0.52800E+00 ppm1      7.250 ppm2      1.074
 OR { 5579}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "14  " and name "HG22")
 OR { 5579}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "14  " and name "HG21")
 OR { 5579}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "14  " and name "HG21")
 OR { 5579}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "14  " and name "HG23")
 OR { 5579}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "14  " and name "HG22")
 OR { 5579}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 5579}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "12  " and name "HG23")
 OR { 5579}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 5579}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "12  " and name "HG23")
 ASSI { 2829}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "4   " and name "HB2 ")
      6.000     6.000     0.000 peak  2829 weight  0.10000E+01 volume  0.17100E+00 ppm1      7.255 ppm2      3.094
 OR { 2829}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "4   " and name "HB2 ")
 ASSI { 5570}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "4   " and name "HA  ")
      6.000     6.000     0.000 peak  5570 weight  0.10000E+01 volume  0.18500E+00 ppm1      7.250 ppm2      5.602
 OR { 5570}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "4   " and name "HA  ")
 ASSI { 5577}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "14  " and name "HA  ")
      6.000     6.000     0.000 peak  5577 weight  0.10000E+01 volume  0.11500E+00 ppm1      7.251 ppm2      5.202
 OR { 5577}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "14  " and name "HA  ")
 OR { 5577}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "66  " and name "HA  ")
 OR { 5577}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "66  " and name "HA  ")
 ASSI { 2926}
     (segid "    " and resid "4   " and name "HD2 ")
     (segid "    " and resid "64  " and name "HG2 ")
      6.000     6.000     0.000 peak  2926 weight  0.10000E+01 volume  0.80000E-01 ppm1      7.106 ppm2      2.174
 OR { 2926}
     (segid "    " and resid "4   " and name "HD1 ")
     (segid "    " and resid "64  " and name "HG2 ")
 OR { 2926}
     (segid "    " and resid "4   " and name "HD1 ")
     (segid "    " and resid "64  " and name "HG1 ")
 OR { 2926}
     (segid "    " and resid "4   " and name "HD2 ")
     (segid "    " and resid "2   " and name "HG1 ")
 OR { 2926}
     (segid "    " and resid "4   " and name "HD1 ")
     (segid "    " and resid "2   " and name "HG1 ")
 OR { 2926}
     (segid "    " and resid "4   " and name "HD2 ")
     (segid "    " and resid "64  " and name "HG1 ")
 ASSI { 2844}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "4   " and name "HB1 ")
      6.000     6.000     0.000 peak  2844 weight  0.10000E+01 volume  0.17200E+00 ppm1      7.253 ppm2      2.805
 OR { 2844}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "4   " and name "HB1 ")
 ASSI { 5561}
     (segid "    " and resid "4   " and name "HD1 ")
     (segid "    " and resid "4   " and name "HB1 ")
      5.000     5.000     0.000 peak  5561 weight  0.10000E+01 volume  0.55800E+00 ppm1      7.103 ppm2      2.807
 OR { 5561}
     (segid "    " and resid "4   " and name "HD2 ")
     (segid "    " and resid "4   " and name "HB1 ")
 ASSI { 2907}
     (segid "    " and resid "4   " and name "HD2 ")
     (segid "    " and resid "64  " and name "HB2 ")
      6.000     6.000     0.000 peak  2907 weight  0.10000E+01 volume  0.89000E-01 ppm1      7.105 ppm2      2.355
 OR { 2907}
     (segid "    " and resid "4   " and name "HD1 ")
     (segid "    " and resid "64  " and name "HB2 ")
 ASSI { 9016}
     (segid "    " and resid "4   " and name "HD1 ")
     (segid "    " and resid "14  " and name "HA  ")
      5.000     5.000     0.000 peak  9016 weight  0.10000E+01 volume  0.30400E+00 ppm1      7.106 ppm2      5.201
 OR { 9016}
     (segid "    " and resid "4   " and name "HD2 ")
     (segid "    " and resid "14  " and name "HA  ")
 OR { 9016}
     (segid "    " and resid "4   " and name "HD1 ")
     (segid "    " and resid "66  " and name "HA  ")
 OR { 9016}
     (segid "    " and resid "4   " and name "HD2 ")
     (segid "    " and resid "66  " and name "HA  ")
 ASSI { 2899}
     (segid "    " and resid "4   " and name "HD2 ")
     (segid "    " and resid "64  " and name "HB1 ")
      6.000     6.000     0.000 peak  2899 weight  0.10000E+01 volume  0.15100E+00 ppm1      7.103 ppm2      2.452
 OR { 2899}
     (segid "    " and resid "4   " and name "HD1 ")
     (segid "    " and resid "64  " and name "HB1 ")
 ASSI { 5564}
     (segid "    " and resid "4   " and name "HD2 ")
     (segid "    " and resid "4   " and name "HN  ")
      6.000     6.000     0.000 peak  5564 weight  0.10000E+01 volume  0.24900E+00 ppm1      7.103 ppm2      8.407
 OR { 5564}
     (segid "    " and resid "4   " and name "HD1 ")
     (segid "    " and resid "4   " and name "HN  ")
 ASSI { 5560}
     (segid "    " and resid "4   " and name "HD2 ")
     (segid "    " and resid "4   " and name "HA  ")
      5.000     5.000     0.000 peak  5560 weight  0.10000E+01 volume  0.67600E+00 ppm1      7.104 ppm2      5.598
 OR { 5560}
     (segid "    " and resid "4   " and name "HD1 ")
     (segid "    " and resid "4   " and name "HA  ")
 ASSI { 5617}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "61  " and name "HA  ")
      6.000     6.000     0.000 peak  5617 weight  0.10000E+01 volume  0.29700E+00 ppm1      7.536 ppm2      3.673
 OR { 5617}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "61  " and name "HA  ")
 OR { 5617}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "65  " and name "HB2 ")
 OR { 5617}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "65  " and name "HB2 ")
 OR { 5617}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "46  " and name "HA  ")
 OR { 5617}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "46  " and name "HA  ")
 ASSI { 5616}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "65  " and name "HA  ")
      6.000     6.000     0.000 peak  5616 weight  0.10000E+01 volume  0.20900E+00 ppm1      7.537 ppm2      4.601
 OR { 5616}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "65  " and name "HA  ")
 OR { 5616}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 5616}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 5616}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "62  " and name "HA  ")
 OR { 5616}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "62  " and name "HA  ")
 ASSI { 5612}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "65  " and name "HB1 ")
      5.000     5.000     0.000 peak  5612 weight  0.10000E+01 volume  0.48800E+00 ppm1      7.533 ppm2      3.806
 OR { 5612}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "65  " and name "HB1 ")
 ASSI { 5618}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HD22")
      6.000     6.000     0.000 peak  5618 weight  0.10000E+01 volume  0.10100E+00 ppm1      7.536 ppm2      0.037
 OR { 5618}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HD23")
 OR { 5618}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "50  " and name "HD21")
 OR { 5618}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "50  " and name "HD23")
 OR { 5618}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "50  " and name "HD22")
 OR { 5618}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HD21")
 ASSI { 5610}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "45  " and name "HB1 ")
      5.000     5.000     0.000 peak  5610 weight  0.10000E+01 volume  0.65500E+00 ppm1      7.535 ppm2      2.929
 OR { 5610}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "45  " and name "HB1 ")
 ASSI { 5614}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "59  " and name "HB1 ")
      6.000     6.000     0.000 peak  5614 weight  0.10000E+01 volume  0.20300E+00 ppm1      7.536 ppm2      3.438
 OR { 5614}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "59  " and name "HB1 ")
 ASSI { 5609}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "45  " and name "HA  ")
      5.000     5.000     0.000 peak  5609 weight  0.10000E+01 volume  0.73600E+00 ppm1      7.536 ppm2      5.187
 OR { 5609}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "45  " and name "HA  ")
 ASSI { 5596}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "67  " and name "HA  ")
      6.000     6.000     0.000 peak  5596 weight  0.10000E+01 volume  0.25100E+00 ppm1      7.403 ppm2      4.616
 OR { 5596}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 5596}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "65  " and name "HA  ")
 OR { 5596}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "65  " and name "HA  ")
 ASSI { 5613}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "46  " and name "HB2 ")
      5.000     5.000     0.000 peak  5613 weight  0.10000E+01 volume  0.48700E+00 ppm1      7.538 ppm2      0.777
 OR { 5613}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "46  " and name "HB3 ")
 OR { 5613}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "46  " and name "HB3 ")
 OR { 5613}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "46  " and name "HB1 ")
 OR { 5613}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "46  " and name "HB1 ")
 OR { 5613}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "46  " and name "HB2 ")
 OR { 5613}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "3   " and name "HD21")
 OR { 5613}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "3   " and name "HD22")
 OR { 5613}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "3   " and name "HD21")
 OR { 5613}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "3   " and name "HD22")
 ASSI { 5611}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "61  " and name "HD22")
      5.000     5.000     0.000 peak  5611 weight  0.10000E+01 volume  0.50900E+00 ppm1      7.536 ppm2     -0.090
 OR { 5611}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "61  " and name "HD22")
 OR { 5611}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "61  " and name "HD23")
 OR { 5611}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "61  " and name "HD21")
 OR { 5611}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "61  " and name "HD23")
 OR { 5611}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "61  " and name "HD21")
 ASSI { 5608}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "45  " and name "HB2 ")
      5.000     5.000     0.000 peak  5608 weight  0.10000E+01 volume  0.10700E+01 ppm1      7.536 ppm2      2.763
 OR { 5608}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 5619}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "46  " and name "HN  ")
      6.000     6.000     0.000 peak  5619 weight  0.10000E+01 volume  0.91000E-01 ppm1      7.538 ppm2      9.021
 OR { 5619}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "46  " and name "HN  ")
 ASSI { 5600}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "46  " and name "HN  ")
      6.000     6.000     0.000 peak  5600 weight  0.10000E+01 volume  0.10100E+00 ppm1      7.399 ppm2      9.023
 OR { 5600}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "46  " and name "HN  ")
 ASSI { 5587}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HD21")
      5.000     5.000     0.000 peak  5587 weight  0.10000E+01 volume  0.48100E+00 ppm1      7.402 ppm2     -0.091
 OR { 5587}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HD22")
 OR { 5587}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HD23")
 OR { 5587}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HD21")
 OR { 5587}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HD22")
 OR { 5587}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HD23")
 ASSI { 5593}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HB1 ")
      5.000     5.000     0.000 peak  5593 weight  0.10000E+01 volume  0.31300E+00 ppm1      7.404 ppm2      3.437
 OR { 5593}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HB1 ")
 ASSI { 5601}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "67  " and name "HD11")
      6.000     6.000     0.000 peak  5601 weight  0.10000E+01 volume  0.20000E+00 ppm1      7.401 ppm2      0.665
 OR { 5601}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 5601}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 5601}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 5601}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 5601}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 5601}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 5601}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 5601}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 5601}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 5601}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 5601}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 5601}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "5   " and name "HG22")
 OR { 5601}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "5   " and name "HG22")
 OR { 5601}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "26  " and name "HD21")
 OR { 5601}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "26  " and name "HD22")
 OR { 5601}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "26  " and name "HD23")
 OR { 5601}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "26  " and name "HD23")
 OR { 5601}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 5601}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "26  " and name "HD22")
 OR { 5601}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "26  " and name "HD21")
 OR { 5601}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HD13")
 ASSI { 5584}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "45  " and name "HB2 ")
      3.300     3.300     0.000 peak  5584 weight  0.10000E+01 volume  0.17010E+01 ppm1      7.402 ppm2      2.761
 OR { 5584}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 5592}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "46  " and name "HB3 ")
      5.000     5.000     0.000 peak  5592 weight  0.10000E+01 volume  0.51100E+00 ppm1      7.403 ppm2      0.778
 OR { 5592}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "46  " and name "HB3 ")
 OR { 5592}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "46  " and name "HB2 ")
 OR { 5592}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "46  " and name "HB1 ")
 OR { 5592}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "46  " and name "HB1 ")
 OR { 5592}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "46  " and name "HB2 ")
 ASSI { 5623}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "59  " and name "HB2 ")
      6.000     6.000     0.000 peak  5623 weight  0.10000E+01 volume  0.10300E+00 ppm1      7.533 ppm2      2.584
 OR { 5623}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "59  " and name "HB2 ")
 ASSI { 5597}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "46  " and name "HA  ")
      6.000     6.000     0.000 peak  5597 weight  0.10000E+01 volume  0.26200E+00 ppm1      7.401 ppm2      3.668
 OR { 5597}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HA  ")
 OR { 5597}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "65  " and name "HB2 ")
 OR { 5597}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "46  " and name "HA  ")
 OR { 5597}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HA  ")
 OR { 5597}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "65  " and name "HB2 ")
 ASSI { 5598}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "66  " and name "HN  ")
      6.000     6.000     0.000 peak  5598 weight  0.10000E+01 volume  0.12400E+00 ppm1      7.404 ppm2      8.652
 OR { 5598}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "66  " and name "HN  ")
 OR { 5598}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HN  ")
 OR { 5598}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HN  ")
 OR { 5598}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "49  " and name "HN  ")
 OR { 5598}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "49  " and name "HN  ")
 ASSI { 5594}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "65  " and name "HB1 ")
      5.000     5.000     0.000 peak  5594 weight  0.10000E+01 volume  0.31600E+00 ppm1      7.401 ppm2      3.807
 OR { 5594}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "65  " and name "HB1 ")
 ASSI { 5621}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "67  " and name "HG11")
      6.000     6.000     0.000 peak  5621 weight  0.10000E+01 volume  0.72000E-01 ppm1      7.536 ppm2      1.436
 OR { 5621}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "67  " and name "HG11")
 OR { 5621}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "3   " and name "HG  ")
 OR { 5621}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "3   " and name "HG  ")
 ASSI { 5620}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "67  " and name "HG12")
      6.000     6.000     0.000 peak  5620 weight  0.10000E+01 volume  0.20200E+00 ppm1      7.533 ppm2      0.876
 OR { 5620}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "67  " and name "HG12")
 OR { 5620}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "66  " and name "HG21")
 OR { 5620}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "66  " and name "HG21")
 OR { 5620}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 5620}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 5620}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "66  " and name "HG23")
 OR { 5620}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 5620}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 5620}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "66  " and name "HG23")
 OR { 5620}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 5620}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "67  " and name "HG23")
 ASSI { 5602}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "67  " and name "HG11")
      6.000     6.000     0.000 peak  5602 weight  0.10000E+01 volume  0.85000E-01 ppm1      7.400 ppm2      1.436
 OR { 5602}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "67  " and name "HG11")
 ASSI { 8124}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "67  " and name "HD13")
      6.000     6.000     0.000 peak  8124 weight  0.10000E+01 volume  0.19300E+00 ppm1      7.538 ppm2      0.675
 OR { 8124}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 8124}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 8124}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 8124}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 8124}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 8124}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 8124}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 8124}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 8124}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 8124}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 8124}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 8124}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 8124}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 8124}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 8124}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 8124}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "26  " and name "HD22")
 OR { 8124}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "26  " and name "HD23")
 OR { 8124}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "26  " and name "HD21")
 OR { 8124}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "26  " and name "HD21")
 OR { 8124}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "26  " and name "HD23")
 OR { 8124}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "26  " and name "HD22")
 ASSI { 5622}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "61  " and name "HG  ")
      6.000     6.000     0.000 peak  5622 weight  0.10000E+01 volume  0.11400E+00 ppm1      7.536 ppm2      1.084
 OR { 5622}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "61  " and name "HG  ")
 ASSI { 5599}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "67  " and name "HG12")
      6.000     6.000     0.000 peak  5599 weight  0.10000E+01 volume  0.27000E+00 ppm1      7.400 ppm2      0.888
 OR { 5599}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "67  " and name "HG12")
 OR { 5599}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 5599}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 5599}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 5599}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 5599}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 5599}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "67  " and name "HG23")
 ASSI { 5605}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HG  ")
      6.000     6.000     0.000 peak  5605 weight  0.10000E+01 volume  0.13800E+00 ppm1      7.405 ppm2      1.095
 OR { 5605}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HG  ")
 OR { 5605}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HB1 ")
 OR { 5605}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HB1 ")
 ASSI { 5606}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HD13")
      6.000     6.000     0.000 peak  5606 weight  0.10000E+01 volume  0.15300E+00 ppm1      7.404 ppm2      0.517
 OR { 5606}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 5606}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 5606}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 5606}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 5606}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 5606}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HD13")
 OR { 5606}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HD11")
 OR { 5606}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HD12")
 OR { 5606}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HD12")
 OR { 5606}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HD13")
 OR { 5606}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HD11")
 ASSI { 5604}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HB2 ")
      6.000     6.000     0.000 peak  5604 weight  0.10000E+01 volume  0.13700E+00 ppm1      7.401 ppm2      2.578
 OR { 5604}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HB2 ")
 ASSI { 5603}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "45  " and name "HN  ")
      6.000     6.000     0.000 peak  5603 weight  0.10000E+01 volume  0.84000E-01 ppm1      7.402 ppm2      9.157
 OR { 5603}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "45  " and name "HN  ")
 OR { 5603}
     (segid "    " and resid "45  " and name "HD2 ")
     (segid "    " and resid "44  " and name "HN  ")
 OR { 5603}
     (segid "    " and resid "45  " and name "HD1 ")
     (segid "    " and resid "44  " and name "HN  ")
 ASSI { 5530}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "54  " and name "HB1 ")
      5.000     5.000     0.000 peak  5530 weight  0.10000E+01 volume  0.44500E+00 ppm1      7.220 ppm2      2.311
 OR { 5530}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 5530}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 5530}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 5530}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "58  " and name "HB1 ")
 OR { 5530}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "58  " and name "HB1 ")
 ASSI { 5524}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HD22")
      5.000     5.000     0.000 peak  5524 weight  0.10000E+01 volume  0.71000E+00 ppm1      7.217 ppm2      0.037
 OR { 5524}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HD22")
 OR { 5524}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HD21")
 OR { 5524}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HD21")
 OR { 5524}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HD23")
 OR { 5524}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HD23")
 ASSI { 5517}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HE1 ")
      2.700     2.700     0.000 peak  5517 weight  0.10000E+01 volume  0.54660E+01 ppm1      7.216 ppm2      6.839
 OR { 5517}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 5517}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 5517}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HE1 ")
 ASSI { 5520}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HB2 ")
      3.300     3.300     0.000 peak  5520 weight  0.10000E+01 volume  0.23710E+01 ppm1      7.215 ppm2      2.571
 OR { 5520}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HB2 ")
 ASSI { 5529}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "48  " and name "HB1 ")
      5.000     5.000     0.000 peak  5529 weight  0.10000E+01 volume  0.46800E+00 ppm1      7.217 ppm2      1.965
 OR { 5529}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "48  " and name "HB1 ")
 OR { 5529}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "48  " and name "HB2 ")
 OR { 5529}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "48  " and name "HB2 ")
 OR { 5529}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "54  " and name "HG1 ")
 OR { 5529}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "54  " and name "HG1 ")
 ASSI { 5533}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "56  " and name "HB1 ")
      6.000     6.000     0.000 peak  5533 weight  0.10000E+01 volume  0.11900E+00 ppm1      7.217 ppm2      1.295
 OR { 5533}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HB1 ")
 OR { 5533}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HB2 ")
 OR { 5533}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HB2 ")
 OR { 5533}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "26  " and name "HB2 ")
 OR { 5533}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "26  " and name "HB2 ")
 OR { 5533}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 5533}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "22  " and name "HG21")
 ASSI { 5532}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "58  " and name "HN  ")
      6.000     6.000     0.000 peak  5532 weight  0.10000E+01 volume  0.12900E+00 ppm1      7.211 ppm2      7.856
 OR { 5532}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "58  " and name "HN  ")
 ASSI { 5527}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "58  " and name "HB2 ")
      6.000     6.000     0.000 peak  5527 weight  0.10000E+01 volume  0.27500E+00 ppm1      7.216 ppm2      2.937
 OR { 5527}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "58  " and name "HB2 ")
 OR { 5527}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 5527}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "45  " and name "HB1 ")
 ASSI { 5528}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "48  " and name "HD1 ")
      5.000     5.000     0.000 peak  5528 weight  0.10000E+01 volume  0.36300E+00 ppm1      7.216 ppm2      1.884
 OR { 5528}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "48  " and name "HD2 ")
 OR { 5528}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "48  " and name "HD2 ")
 OR { 5528}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "48  " and name "HD1 ")
 OR { 5528}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "51  " and name "HB2 ")
 OR { 5528}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "51  " and name "HB2 ")
 ASSI { 5525}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HD13")
      5.000     5.000     0.000 peak  5525 weight  0.10000E+01 volume  0.73800E+00 ppm1      7.218 ppm2      0.553
 OR { 5525}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 5525}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 5525}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 5525}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 5525}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 5525}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 5525}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 5525}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 5525}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 5525}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 5525}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HD21")
 ASSI { 5516}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "60  " and name "HN  ")
      6.000     6.000     0.000 peak  5516 weight  0.10000E+01 volume  0.15300E+00 ppm1      7.213 ppm2      8.168
 OR { 5516}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "51  " and name "HN  ")
 OR { 5516}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "51  " and name "HN  ")
 OR { 5516}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "60  " and name "HN  ")
 ASSI { 5526}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "23  " and name "HG22")
      5.000     5.000     0.000 peak  5526 weight  0.10000E+01 volume  0.63400E+00 ppm1      7.218 ppm2      1.013
 OR { 5526}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 5526}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 5526}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 5526}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 5526}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 5526}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HG  ")
 OR { 5526}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HG  ")
 OR { 5526}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HB1 ")
 OR { 5526}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HB1 ")
 ASSI { 5521}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HB1 ")
      3.300     3.300     0.000 peak  5521 weight  0.10000E+01 volume  0.19110E+01 ppm1      7.215 ppm2      3.437
 OR { 5521}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HB1 ")
 ASSI { 5523}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HN  ")
      5.000     5.000     0.000 peak  5523 weight  0.10000E+01 volume  0.12760E+01 ppm1      7.217 ppm2      7.495
 OR { 5523}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HN  ")
 ASSI { 5531}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HG  ")
      5.000     5.000     0.000 peak  5531 weight  0.10000E+01 volume  0.31500E+00 ppm1      7.221 ppm2      1.111
 OR { 5531}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "50  " and name "HB1 ")
 OR { 5531}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "50  " and name "HB1 ")
 OR { 5531}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HG  ")
 ASSI { 5427}
     (segid "    " and resid "68  " and name "HE1 ")
     (segid "    " and resid "6   " and name "HD1 ")
      6.000     6.000     0.000 peak  5427 weight  0.10000E+01 volume  0.13800E+00 ppm1      8.001 ppm2      1.559
 OR { 5427}
     (segid "    " and resid "68  " and name "HE1 ")
     (segid "    " and resid "6   " and name "HD2 ")
 ASSI { 5374}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "45  " and name "HE1 ")
      6.000     6.000     0.000 peak  5374 weight  0.10000E+01 volume  0.69000E-01 ppm1      0.653 ppm2      7.493
 OR { 5374}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "45  " and name "HE2 ")
 OR { 5374}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "45  " and name "HE2 ")
 OR { 5374}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "45  " and name "HE2 ")
 OR { 5374}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "45  " and name "HE1 ")
 OR { 5374}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "45  " and name "HE1 ")
 OR { 5374}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "45  " and name "HZ  ")
 OR { 5374}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "45  " and name "HZ  ")
 OR { 5374}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "45  " and name "HZ  ")
 ASSI { 5359}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "50  " and name "HD23")
      5.000     5.000     0.000 peak  5359 weight  0.10000E+01 volume  0.42000E+00 ppm1      0.654 ppm2      0.034
 OR { 5359}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "50  " and name "HD22")
 OR { 5359}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "50  " and name "HD21")
 OR { 5359}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "50  " and name "HD22")
 OR { 5359}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "50  " and name "HD21")
 OR { 5359}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "50  " and name "HD23")
 OR { 5359}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "50  " and name "HD22")
 OR { 5359}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "50  " and name "HD21")
 OR { 5359}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "50  " and name "HD23")
 ASSI { 5372}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "65  " and name "HB1 ")
      6.000     6.000     0.000 peak  5372 weight  0.10000E+01 volume  0.93000E-01 ppm1      0.656 ppm2      3.808
 OR { 5372}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "65  " and name "HB1 ")
 OR { 5372}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "65  " and name "HB1 ")
 ASSI { 5368}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "3   " and name "HA  ")
      6.000     6.000     0.000 peak  5368 weight  0.10000E+01 volume  0.95000E-01 ppm1      0.653 ppm2      4.439
 OR { 5368}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "3   " and name "HA  ")
 OR { 5368}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "3   " and name "HA  ")
 ASSI { 5366}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "66  " and name "HA  ")
      6.000     6.000     0.000 peak  5366 weight  0.10000E+01 volume  0.23100E+00 ppm1      0.656 ppm2      5.233
 OR { 5366}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "66  " and name "HA  ")
 OR { 5366}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "66  " and name "HA  ")
 OR { 5366}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "45  " and name "HA  ")
 OR { 5366}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "45  " and name "HA  ")
 OR { 5366}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "45  " and name "HA  ")
 ASSI { 5370}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "4   " and name "HN  ")
      6.000     6.000     0.000 peak  5370 weight  0.10000E+01 volume  0.12700E+00 ppm1      0.654 ppm2      8.407
 OR { 5370}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "4   " and name "HN  ")
 OR { 5370}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "4   " and name "HN  ")
 ASSI { 5361}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "45  " and name "HB1 ")
      5.000     5.000     0.000 peak  5361 weight  0.10000E+01 volume  0.60400E+00 ppm1      0.655 ppm2      2.927
 OR { 5361}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 5361}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "45  " and name "HB1 ")
 ASSI { 5363}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "45  " and name "HB2 ")
      6.000     6.000     0.000 peak  5363 weight  0.10000E+01 volume  0.23400E+00 ppm1      0.655 ppm2      2.758
 OR { 5363}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 5363}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 5358}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "67  " and name "HN  ")
      5.000     5.000     0.000 peak  5358 weight  0.10000E+01 volume  0.60000E+00 ppm1      0.655 ppm2      9.338
 OR { 5358}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "67  " and name "HN  ")
 OR { 5358}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "67  " and name "HN  ")
 OR { 5358}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "68  " and name "HN  ")
 OR { 5358}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "68  " and name "HN  ")
 OR { 5358}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "68  " and name "HN  ")
 ASSI { 5365}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "45  " and name "HD2 ")
      6.000     6.000     0.000 peak  5365 weight  0.10000E+01 volume  0.23000E+00 ppm1      0.653 ppm2      7.400
 OR { 5365}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 5365}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 5365}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 5365}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 5365}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "45  " and name "HD1 ")
 ASSI { 5373}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "45  " and name "HN  ")
      6.000     6.000     0.000 peak  5373 weight  0.10000E+01 volume  0.56000E-01 ppm1      0.655 ppm2      9.153
 OR { 5373}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "45  " and name "HN  ")
 OR { 5373}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "44  " and name "HN  ")
 OR { 5373}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "44  " and name "HN  ")
 OR { 5373}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "45  " and name "HN  ")
 OR { 5373}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "44  " and name "HN  ")
 ASSI { 5354}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "61  " and name "HD21")
      3.300     3.300     0.000 peak  5354 weight  0.10000E+01 volume  0.17810E+01 ppm1      0.656 ppm2     -0.091
 OR { 5354}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "61  " and name "HD23")
 OR { 5354}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "61  " and name "HD21")
 OR { 5354}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "61  " and name "HD23")
 OR { 5354}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "61  " and name "HD22")
 OR { 5354}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "61  " and name "HD21")
 OR { 5354}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "61  " and name "HD22")
 OR { 5354}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "61  " and name "HD22")
 OR { 5354}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "61  " and name "HD23")
 ASSI { 5369}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "65  " and name "HB2 ")
      6.000     6.000     0.000 peak  5369 weight  0.10000E+01 volume  0.17400E+00 ppm1      0.654 ppm2      3.651
 OR { 5369}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "65  " and name "HB2 ")
 OR { 5369}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "65  " and name "HB2 ")
 ASSI { 5371}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "26  " and name "HB1 ")
      6.000     6.000     0.000 peak  5371 weight  0.10000E+01 volume  0.57000E-01 ppm1      0.654 ppm2      2.355
 OR { 5371}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 5371}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 5371}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "62  " and name "HG1 ")
 OR { 5371}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "62  " and name "HG1 ")
 OR { 5371}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "62  " and name "HG2 ")
 OR { 5371}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "62  " and name "HG2 ")
 OR { 5371}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "64  " and name "HB2 ")
 OR { 5371}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "64  " and name "HB2 ")
 OR { 5371}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "64  " and name "HB2 ")
 OR { 5371}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "62  " and name "HG1 ")
 OR { 5371}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "62  " and name "HG2 ")
 OR { 5371}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 5371}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 5371}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 5371}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "19  " and name "HB1 ")
 OR { 5371}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "19  " and name "HB1 ")
 OR { 5371}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "19  " and name "HB1 ")
 ASSI { 5367}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "5   " and name "HA  ")
      6.000     6.000     0.000 peak  5367 weight  0.10000E+01 volume  0.16600E+00 ppm1      0.650 ppm2      4.997
 OR { 5367}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "5   " and name "HA  ")
 OR { 5367}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "5   " and name "HA  ")
 OR { 5367}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "68  " and name "HA  ")
 OR { 5367}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "68  " and name "HA  ")
 OR { 5367}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "68  " and name "HA  ")
 ASSI { 3578}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "26  " and name "HA  ")
      6.000     6.000     0.000 peak  3578 weight  0.10000E+01 volume  0.67000E-01 ppm1      0.809 ppm2      4.015
 OR { 3578}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 3578}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 3576}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "41  " and name "HE21")
      6.000     6.000     0.000 peak  3576 weight  0.10000E+01 volume  0.12400E+00 ppm1      0.801 ppm2      6.699
 OR { 3576}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "41  " and name "HE21")
 OR { 3576}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "41  " and name "HE21")
 ASSI { 3567}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "27  " and name "HA  ")
      5.000     5.000     0.000 peak  3567 weight  0.10000E+01 volume  0.81600E+00 ppm1      0.815 ppm2      4.640
 OR { 3567}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 3567}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "27  " and name "HA  ")
 ASSI { 3565}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "30  " and name "HN  ")
      5.000     5.000     0.000 peak  3565 weight  0.10000E+01 volume  0.80800E+00 ppm1      0.814 ppm2      8.101
 OR { 3565}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 3565}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "30  " and name "HN  ")
 ASSI { 4398}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "45  " and name "HB1 ")
      6.000     6.000     0.000 peak  4398 weight  0.10000E+01 volume  0.13300E+00 ppm1      0.771 ppm2      2.926
 OR { 4398}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 4398}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HB1 ")
 ASSI { 4399}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "47  " and name "HA2 ")
      6.000     6.000     0.000 peak  4399 weight  0.10000E+01 volume  0.14600E+00 ppm1      0.772 ppm2      3.442
 OR { 4399}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "47  " and name "HA2 ")
 OR { 4399}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "47  " and name "HA2 ")
 OR { 4399}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HB1 ")
 OR { 4399}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "59  " and name "HB1 ")
 OR { 4399}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HB1 ")
 ASSI { 4396}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HB2 ")
      6.000     6.000     0.000 peak  4396 weight  0.10000E+01 volume  0.15300E+00 ppm1      0.771 ppm2      2.776
 OR { 4396}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 4396}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 4394}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HE1 ")
      6.000     6.000     0.000 peak  4394 weight  0.10000E+01 volume  0.18000E+00 ppm1      0.775 ppm2      3.147
 OR { 4394}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HE1 ")
 OR { 4394}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HE2 ")
 OR { 4394}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "48  " and name "HE2 ")
 OR { 4394}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "48  " and name "HE1 ")
 OR { 4394}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HE2 ")
 ASSI { 4388}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "45  " and name "HD1 ")
      5.000     5.000     0.000 peak  4388 weight  0.10000E+01 volume  0.84000E+00 ppm1      0.772 ppm2      7.415
 OR { 4388}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 4388}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 4388}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 4388}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 4388}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 4388}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HZ  ")
 OR { 4388}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HZ  ")
 OR { 4388}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "45  " and name "HZ  ")
 ASSI { 4389}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HE2 ")
      5.000     5.000     0.000 peak  4389 weight  0.10000E+01 volume  0.83900E+00 ppm1      0.774 ppm2      7.536
 OR { 4389}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "45  " and name "HE1 ")
 OR { 4389}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "45  " and name "HE2 ")
 OR { 4389}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HE2 ")
 OR { 4389}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HE1 ")
 OR { 4389}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HE1 ")
 ASSI { 4393}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HD2 ")
      6.000     6.000     0.000 peak  4393 weight  0.10000E+01 volume  0.13400E+00 ppm1      0.770 ppm2      1.885
 OR { 4393}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HD2 ")
 OR { 4393}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "48  " and name "HD1 ")
 OR { 4393}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HD1 ")
 OR { 4393}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "48  " and name "HD2 ")
 OR { 4393}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HD1 ")
 ASSI { 4387}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "46  " and name "HN  ")
      5.000     5.000     0.000 peak  4387 weight  0.10000E+01 volume  0.80300E+00 ppm1      0.772 ppm2      9.023
 OR { 4387}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "46  " and name "HN  ")
 OR { 4387}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "46  " and name "HN  ")
 ASSI { 4391}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "45  " and name "HA  ")
      6.000     6.000     0.000 peak  4391 weight  0.10000E+01 volume  0.24800E+00 ppm1      0.773 ppm2      5.192
 OR { 4391}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HA  ")
 OR { 4391}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HA  ")
 ASSI { 4397}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "47  " and name "HA1 ")
      6.000     6.000     0.000 peak  4397 weight  0.10000E+01 volume  0.16200E+00 ppm1      0.771 ppm2      4.116
 OR { 4397}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "47  " and name "HA1 ")
 OR { 4397}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "47  " and name "HA1 ")
 OR { 4397}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "66  " and name "HB  ")
 OR { 4397}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "66  " and name "HB  ")
 OR { 4397}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "66  " and name "HB  ")
 ASSI { 4385}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HN  ")
      5.000     5.000     0.000 peak  4385 weight  0.10000E+01 volume  0.99500E+00 ppm1      0.773 ppm2      8.076
 OR { 4385}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "48  " and name "HN  ")
 OR { 4385}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HN  ")
 OR { 4385}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "47  " and name "HN  ")
 OR { 4385}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "47  " and name "HN  ")
 OR { 4385}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "47  " and name "HN  ")
 ASSI { 4395}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HB2 ")
      6.000     6.000     0.000 peak  4395 weight  0.10000E+01 volume  0.26300E+00 ppm1      0.771 ppm2      1.967
 OR { 4395}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HB2 ")
 OR { 4395}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "48  " and name "HB2 ")
 OR { 4395}
     (segid "    " and resid "46  " and name "HB3 ")
     (segid "    " and resid "48  " and name "HB1 ")
 OR { 4395}
     (segid "    " and resid "46  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HB1 ")
 OR { 4395}
     (segid "    " and resid "46  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HB1 ")
 ASSI { 3559}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "35  " and name "HN  ")
      6.000     6.000     0.000 peak  3559 weight  0.10000E+01 volume  0.10100E+00 ppm1      0.657 ppm2      8.498
 OR { 3559}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "35  " and name "HN  ")
 OR { 3559}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "35  " and name "HN  ")
 OR { 3559}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "42  " and name "HN  ")
 OR { 3559}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "42  " and name "HN  ")
 OR { 3559}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "42  " and name "HN  ")
 ASSI { 3547}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "30  " and name "HN  ")
      5.000     5.000     0.000 peak  3547 weight  0.10000E+01 volume  0.14680E+01 ppm1      0.657 ppm2      8.099
 OR { 3547}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 3547}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 3547}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "32  " and name "HN  ")
 OR { 3547}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "32  " and name "HN  ")
 OR { 3547}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "32  " and name "HN  ")
 ASSI { 3562}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "35  " and name "HA1 ")
      6.000     6.000     0.000 peak  3562 weight  0.10000E+01 volume  0.22700E+00 ppm1      0.658 ppm2      4.080
 OR { 3562}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "38  " and name "HA  ")
 OR { 3562}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "38  " and name "HA  ")
 OR { 3562}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "35  " and name "HA1 ")
 OR { 3562}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "38  " and name "HA  ")
 OR { 3562}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "35  " and name "HA1 ")
 ASSI { 3558}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "33  " and name "HN  ")
      6.000     6.000     0.000 peak  3558 weight  0.10000E+01 volume  0.10700E+00 ppm1      0.656 ppm2      7.360
 OR { 3558}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "33  " and name "HN  ")
 OR { 3558}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "33  " and name "HN  ")
 OR { 3558}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "41  " and name "HN  ")
 OR { 3558}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "41  " and name "HN  ")
 OR { 3558}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "41  " and name "HN  ")
 ASSI { 3550}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "34  " and name "HN  ")
      5.000     5.000     0.000 peak  3550 weight  0.10000E+01 volume  0.92700E+00 ppm1      0.657 ppm2      8.646
 OR { 3550}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "34  " and name "HN  ")
 OR { 3550}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "34  " and name "HN  ")
 OR { 3550}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "31  " and name "HN  ")
 OR { 3550}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "31  " and name "HN  ")
 OR { 3550}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "31  " and name "HN  ")
 ASSI { 3560}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "41  " and name "HA  ")
      6.000     6.000     0.000 peak  3560 weight  0.10000E+01 volume  0.19700E+00 ppm1      0.655 ppm2      4.165
 OR { 3560}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 3560}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 3560}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "35  " and name "HA1 ")
 OR { 3560}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "35  " and name "HA1 ")
 OR { 3560}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "35  " and name "HA1 ")
 OR { 3560}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "37  " and name "HD1 ")
 OR { 3560}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "37  " and name "HD1 ")
 OR { 3560}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "37  " and name "HD1 ")
 OR { 3560}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "28  " and name "HA  ")
 OR { 3560}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "28  " and name "HA  ")
 OR { 3560}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "28  " and name "HA  ")
 ASSI { 3548}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "41  " and name "HE21")
      5.000     5.000     0.000 peak  3548 weight  0.10000E+01 volume  0.98700E+00 ppm1      0.658 ppm2      6.698
 OR { 3548}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "41  " and name "HE21")
 OR { 3548}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "41  " and name "HE21")
 ASSI { 3554}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "36  " and name "HN  ")
      5.000     5.000     0.000 peak  3554 weight  0.10000E+01 volume  0.34300E+00 ppm1      0.656 ppm2      6.199
 OR { 3554}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "36  " and name "HN  ")
 OR { 3554}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "36  " and name "HN  ")
 ASSI { 3552}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "31  " and name "HA  ")
      5.000     5.000     0.000 peak  3552 weight  0.10000E+01 volume  0.44800E+00 ppm1      0.657 ppm2      3.779
 OR { 3552}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "31  " and name "HA  ")
 OR { 3552}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "31  " and name "HA  ")
 ASSI { 3553}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "27  " and name "HA  ")
      5.000     5.000     0.000 peak  3553 weight  0.10000E+01 volume  0.33300E+00 ppm1      0.655 ppm2      4.627
 OR { 3553}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 3553}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 3553}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "34  " and name "HA  ")
 OR { 3553}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "34  " and name "HA  ")
 OR { 3553}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "34  " and name "HA  ")
 OR { 3553}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "37  " and name "HA  ")
 OR { 3553}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "37  " and name "HA  ")
 OR { 3553}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "37  " and name "HA  ")
 ASSI { 3551}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "41  " and name "HE22")
      5.000     5.000     0.000 peak  3551 weight  0.10000E+01 volume  0.65400E+00 ppm1      0.657 ppm2      6.435
 OR { 3551}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "41  " and name "HE22")
 OR { 3551}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "41  " and name "HE22")
 ASSI { 4310}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "46  " and name "HN  ")
      6.000     6.000     0.000 peak  4310 weight  0.10000E+01 volume  0.66000E-01 ppm1      0.695 ppm2      9.023
 OR { 4310}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "46  " and name "HN  ")
 OR { 4310}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "46  " and name "HN  ")
 ASSI { 4309}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "45  " and name "HB1 ")
      6.000     6.000     0.000 peak  4309 weight  0.10000E+01 volume  0.18900E+00 ppm1      0.695 ppm2      2.943
 OR { 4309}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 4309}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "45  " and name "HB1 ")
 ASSI { 4293}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "44  " and name "HA  ")
      3.300     3.300     0.000 peak  4293 weight  0.10000E+01 volume  0.17870E+01 ppm1      0.696 ppm2      4.868
 OR { 4293}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "44  " and name "HA  ")
 OR { 4293}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "44  " and name "HA  ")
 OR { 4293}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "49  " and name "HA  ")
 OR { 4293}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "49  " and name "HA  ")
 OR { 4293}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 4299}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "49  " and name "HN  ")
      5.000     5.000     0.000 peak  4299 weight  0.10000E+01 volume  0.37500E+00 ppm1      0.695 ppm2      8.627
 OR { 4299}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "49  " and name "HN  ")
 OR { 4299}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "49  " and name "HN  ")
 OR { 4299}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "50  " and name "HN  ")
 OR { 4299}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "50  " and name "HN  ")
 OR { 4299}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "50  " and name "HN  ")
 ASSI { 4289}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "45  " and name "HN  ")
      3.300     3.300     0.000 peak  4289 weight  0.10000E+01 volume  0.23240E+01 ppm1      0.694 ppm2      9.153
 OR { 4289}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "45  " and name "HN  ")
 OR { 4289}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "45  " and name "HN  ")
 OR { 4289}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "44  " and name "HN  ")
 OR { 4289}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "44  " and name "HN  ")
 OR { 4289}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "44  " and name "HN  ")
 ASSI { 4296}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "68  " and name "HB2 ")
      5.000     5.000     0.000 peak  4296 weight  0.10000E+01 volume  0.71200E+00 ppm1      0.694 ppm2      3.061
 OR { 4296}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 4296}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 4296}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 4296}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 4296}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "68  " and name "HB1 ")
 ASSI { 4301}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "45  " and name "HA  ")
      5.000     5.000     0.000 peak  4301 weight  0.10000E+01 volume  0.35600E+00 ppm1      0.694 ppm2      5.185
 OR { 4301}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "45  " and name "HA  ")
 OR { 4301}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "45  " and name "HA  ")
 ASSI { 8079}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "46  " and name "HA  ")
      6.000     6.000     0.000 peak  8079 weight  0.10000E+01 volume  0.18200E+00 ppm1      0.695 ppm2      3.701
 OR { 8079}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "46  " and name "HA  ")
 OR { 8079}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "46  " and name "HA  ")
 ASSI { 4295}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "47  " and name "HA1 ")
      5.000     5.000     0.000 peak  4295 weight  0.10000E+01 volume  0.78800E+00 ppm1      0.694 ppm2      4.103
 OR { 4295}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "47  " and name "HA1 ")
 OR { 4295}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "47  " and name "HA1 ")
 ASSI { 4305}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "45  " and name "HB2 ")
      6.000     6.000     0.000 peak  4305 weight  0.10000E+01 volume  0.10600E+00 ppm1      0.693 ppm2      2.758
 OR { 4305}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 4305}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 4287}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "47  " and name "HN  ")
      2.700     2.700     0.000 peak  4287 weight  0.10000E+01 volume  0.32820E+01 ppm1      0.694 ppm2      8.076
 OR { 4287}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "47  " and name "HN  ")
 OR { 4287}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "47  " and name "HN  ")
 OR { 4287}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "48  " and name "HN  ")
 OR { 4287}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "48  " and name "HN  ")
 OR { 4287}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "48  " and name "HN  ")
 ASSI { 4306}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "68  " and name "HN  ")
      6.000     6.000     0.000 peak  4306 weight  0.10000E+01 volume  0.95000E-01 ppm1      0.692 ppm2      9.363
 OR { 4306}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "68  " and name "HN  ")
 OR { 4306}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "68  " and name "HN  ")
 ASSI { 4307}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "68  " and name "HD2 ")
      6.000     6.000     0.000 peak  4307 weight  0.10000E+01 volume  0.67000E-01 ppm1      0.697 ppm2      7.054
 OR { 4307}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "68  " and name "HD2 ")
 OR { 4307}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "68  " and name "HD2 ")
 ASSI { 4304}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "48  " and name "HA  ")
      6.000     6.000     0.000 peak  4304 weight  0.10000E+01 volume  0.22200E+00 ppm1      0.695 ppm2      4.652
 OR { 4304}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "48  " and name "HA  ")
 OR { 4304}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "48  " and name "HA  ")
 OR { 4304}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 4304}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 4304}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "67  " and name "HA  ")
 ASSI { 3833}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "36  " and name "HN  ")
      5.000     5.000     0.000 peak  3833 weight  0.10000E+01 volume  0.75200E+00 ppm1      0.924 ppm2      6.197
 OR { 3833}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "36  " and name "HN  ")
 OR { 3833}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "36  " and name "HN  ")
 ASSI { 3841}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "31  " and name "HA  ")
      6.000     6.000     0.000 peak  3841 weight  0.10000E+01 volume  0.20700E+00 ppm1      0.925 ppm2      3.764
 OR { 3841}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "31  " and name "HA  ")
 OR { 3841}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "31  " and name "HA  ")
 OR { 3841}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "38  " and name "HD1 ")
 OR { 3841}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "38  " and name "HD1 ")
 OR { 3841}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "38  " and name "HD1 ")
 OR { 3841}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "38  " and name "HD2 ")
 OR { 3841}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "38  " and name "HD2 ")
 OR { 3841}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 3840}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "41  " and name "HE21")
      6.000     6.000     0.000 peak  3840 weight  0.10000E+01 volume  0.28500E+00 ppm1      0.924 ppm2      6.701
 OR { 3840}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "41  " and name "HE21")
 OR { 3840}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "41  " and name "HE21")
 ASSI { 3830}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "37  " and name "HD2 ")
      3.300     3.300     0.000 peak  3830 weight  0.10000E+01 volume  0.17330E+01 ppm1      0.925 ppm2      3.553
 OR { 3830}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "37  " and name "HD2 ")
 OR { 3830}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "37  " and name "HD2 ")
 ASSI { 3838}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "41  " and name "HN  ")
      6.000     6.000     0.000 peak  3838 weight  0.10000E+01 volume  0.26400E+00 ppm1      0.925 ppm2      7.366
 OR { 3838}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "41  " and name "HN  ")
 OR { 3838}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "41  " and name "HN  ")
 ASSI { 3837}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "40  " and name "HN  ")
      5.000     5.000     0.000 peak  3837 weight  0.10000E+01 volume  0.34200E+00 ppm1      0.926 ppm2      7.915
 OR { 3837}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "40  " and name "HN  ")
 OR { 3837}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "40  " and name "HN  ")
 ASSI { 3843}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "37  " and name "HA  ")
      6.000     6.000     0.000 peak  3843 weight  0.10000E+01 volume  0.89000E-01 ppm1      0.924 ppm2      4.615
 OR { 3843}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "37  " and name "HA  ")
 OR { 3843}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "37  " and name "HA  ")
 OR { 3843}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 3843}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 3843}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 3843}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "34  " and name "HA  ")
 OR { 3843}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "34  " and name "HA  ")
 OR { 3843}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "34  " and name "HA  ")
 ASSI { 3831}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "41  " and name "HA  ")
      3.300     3.300     0.000 peak  3831 weight  0.10000E+01 volume  0.15770E+01 ppm1      0.924 ppm2      4.169
 OR { 3831}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 3831}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "37  " and name "HD1 ")
 OR { 3831}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 3831}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "37  " and name "HD1 ")
 OR { 3831}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "37  " and name "HD1 ")
 ASSI { 3827}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "41  " and name "HG1 ")
      2.700     2.700     0.000 peak  3827 weight  0.10000E+01 volume  0.30550E+01 ppm1      0.925 ppm2      2.501
 OR { 3827}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "41  " and name "HG1 ")
 OR { 3827}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "41  " and name "HG1 ")
 OR { 3827}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "40  " and name "HB1 ")
 OR { 3827}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "40  " and name "HB1 ")
 OR { 3827}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "40  " and name "HB1 ")
 ASSI { 3835}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "41  " and name "HE22")
      5.000     5.000     0.000 peak  3835 weight  0.10000E+01 volume  0.62800E+00 ppm1      0.925 ppm2      6.432
 OR { 3835}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "41  " and name "HE22")
 OR { 3835}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "41  " and name "HE22")
 ASSI { 3842}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "42  " and name "HN  ")
      6.000     6.000     0.000 peak  3842 weight  0.10000E+01 volume  0.12000E+00 ppm1      0.925 ppm2      8.504
 OR { 3842}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "42  " and name "HN  ")
 OR { 3842}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "42  " and name "HN  ")
 OR { 3842}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "39  " and name "HN  ")
 OR { 3842}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "72  " and name "HN  ")
 OR { 3842}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "39  " and name "HN  ")
 OR { 3842}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "72  " and name "HN  ")
 OR { 3842}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "72  " and name "HN  ")
 OR { 3842}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "39  " and name "HN  ")
 OR { 3842}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "35  " and name "HN  ")
 OR { 3842}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "35  " and name "HN  ")
 OR { 3842}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "35  " and name "HN  ")
 ASSI { 3402}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "38  " and name "HD1 ")
      6.000     6.000     0.000 peak  3402 weight  0.10000E+01 volume  0.11300E+00 ppm1      1.616 ppm2      3.734
 OR { 3402}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HD1 ")
 OR { 3402}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HD1 ")
 OR { 3402}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HD2 ")
 OR { 3402}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "38  " and name "HD2 ")
 OR { 3402}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 3400}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "26  " and name "HA  ")
      6.000     6.000     0.000 peak  3400 weight  0.10000E+01 volume  0.12600E+00 ppm1      1.618 ppm2      4.024
 OR { 3400}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 3400}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 3400}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "38  " and name "HA  ")
 OR { 3400}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HA  ")
 OR { 3400}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HA  ")
 ASSI { 3398}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HE1 ")
      6.000     6.000     0.000 peak  3398 weight  0.10000E+01 volume  0.20800E+00 ppm1      1.611 ppm2      3.143
 OR { 3398}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HE1 ")
 OR { 3398}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "29  " and name "HE1 ")
 OR { 3398}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 3398}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 3398}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "25  " and name "HB2 ")
 ASSI { 3390}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HN  ")
      3.300     3.300     0.000 peak  3390 weight  0.10000E+01 volume  0.23530E+01 ppm1      1.617 ppm2      7.863
 OR { 3390}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "29  " and name "HN  ")
 OR { 3390}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HN  ")
 ASSI { 3388}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "25  " and name "HA  ")
      2.700     2.700     0.000 peak  3388 weight  0.10000E+01 volume  0.33330E+01 ppm1      1.617 ppm2      4.567
 OR { 3388}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "25  " and name "HA  ")
 OR { 3388}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "25  " and name "HA  ")
 ASSI { 3396}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "32  " and name "HB1 ")
      5.000     5.000     0.000 peak  3396 weight  0.10000E+01 volume  0.38900E+00 ppm1      1.617 ppm2      2.853
 OR { 3396}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 3396}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 3396}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 3396}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "32  " and name "HB1 ")
 OR { 3396}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "32  " and name "HB1 ")
 ASSI { 3397}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "27  " and name "HN  ")
      6.000     6.000     0.000 peak  3397 weight  0.10000E+01 volume  0.26400E+00 ppm1      1.615 ppm2      8.555
 OR { 3397}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HN  ")
 OR { 3397}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HN  ")
 ASSI { 3404}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "24  " and name "HA  ")
      6.000     6.000     0.000 peak  3404 weight  0.10000E+01 volume  0.82000E-01 ppm1      1.614 ppm2      3.859
 OR { 3404}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "24  " and name "HA  ")
 OR { 3404}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "24  " and name "HA  ")
 ASSI { 3387}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "28  " and name "HN  ")
      2.700     2.700     0.000 peak  3387 weight  0.10000E+01 volume  0.59750E+01 ppm1      1.617 ppm2      8.138
 OR { 3387}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "28  " and name "HN  ")
 OR { 3387}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HN  ")
 ASSI { 3401}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HE2 ")
      6.000     6.000     0.000 peak  3401 weight  0.10000E+01 volume  0.98000E-01 ppm1      1.611 ppm2      3.021
 OR { 3401}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "29  " and name "HE2 ")
 OR { 3401}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HE2 ")
 ASSI { 3399}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HN  ")
      6.000     6.000     0.000 peak  3399 weight  0.10000E+01 volume  0.21100E+00 ppm1      1.617 ppm2      8.648
 OR { 3399}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "31  " and name "HN  ")
 OR { 3399}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "31  " and name "HN  ")
 ASSI { 5346}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "68  " and name "HB1 ")
      6.000     6.000     0.000 peak  5346 weight  0.10000E+01 volume  0.14800E+00 ppm1      0.842 ppm2      3.068
 OR { 5346}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 5346}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 5346}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 5346}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 5346}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "68  " and name "HB1 ")
 ASSI { 5333}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "43  " and name "HA  ")
      5.000     5.000     0.000 peak  5333 weight  0.10000E+01 volume  0.59500E+00 ppm1      0.837 ppm2      5.284
 OR { 5333}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "43  " and name "HA  ")
 OR { 5333}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "43  " and name "HA  ")
 ASSI { 5334}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "45  " and name "HB1 ")
      5.000     5.000     0.000 peak  5334 weight  0.10000E+01 volume  0.45900E+00 ppm1      0.834 ppm2      2.928
 OR { 5334}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 5334}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "45  " and name "HB1 ")
 ASSI { 5336}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "5   " and name "HA  ")
      5.000     5.000     0.000 peak  5336 weight  0.10000E+01 volume  0.41500E+00 ppm1      0.838 ppm2      5.001
 OR { 5336}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "68  " and name "HA  ")
 OR { 5336}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "68  " and name "HA  ")
 OR { 5336}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "68  " and name "HA  ")
 OR { 5336}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "5   " and name "HA  ")
 OR { 5336}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "5   " and name "HA  ")
 ASSI { 5332}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "44  " and name "HN  ")
      5.000     5.000     0.000 peak  5332 weight  0.10000E+01 volume  0.91300E+00 ppm1      0.834 ppm2      9.152
 OR { 5332}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "44  " and name "HN  ")
 OR { 5332}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "44  " and name "HN  ")
 OR { 5332}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "45  " and name "HN  ")
 OR { 5332}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "45  " and name "HN  ")
 OR { 5332}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "45  " and name "HN  ")
 ASSI { 5338}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "61  " and name "HD21")
      6.000     6.000     0.000 peak  5338 weight  0.10000E+01 volume  0.23000E+00 ppm1      0.838 ppm2     -0.090
 OR { 5338}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "61  " and name "HD21")
 OR { 5338}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "61  " and name "HD23")
 OR { 5338}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "61  " and name "HD22")
 OR { 5338}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "61  " and name "HD23")
 OR { 5338}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "61  " and name "HD22")
 OR { 5338}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "61  " and name "HD23")
 OR { 5338}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "61  " and name "HD21")
 OR { 5338}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "61  " and name "HD22")
 ASSI { 5327}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "68  " and name "HN  ")
      3.300     3.300     0.000 peak  5327 weight  0.10000E+01 volume  0.17730E+01 ppm1      0.834 ppm2      9.345
 OR { 5327}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "68  " and name "HN  ")
 OR { 5327}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "68  " and name "HN  ")
 OR { 5327}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "67  " and name "HN  ")
 OR { 5327}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "67  " and name "HN  ")
 OR { 5327}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "67  " and name "HN  ")
 ASSI { 5337}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "50  " and name "HD23")
      6.000     6.000     0.000 peak  5337 weight  0.10000E+01 volume  0.21000E+00 ppm1      0.834 ppm2      0.038
 OR { 5337}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "50  " and name "HD21")
 OR { 5337}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "50  " and name "HD22")
 OR { 5337}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "50  " and name "HD23")
 OR { 5337}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "50  " and name "HD21")
 OR { 5337}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "50  " and name "HD22")
 OR { 5337}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "50  " and name "HD22")
 OR { 5337}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "50  " and name "HD23")
 OR { 5337}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "50  " and name "HD21")
 ASSI { 5344}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "46  " and name "HN  ")
      6.000     6.000     0.000 peak  5344 weight  0.10000E+01 volume  0.13400E+00 ppm1      0.839 ppm2      8.979
 OR { 5344}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "46  " and name "HN  ")
 OR { 5344}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "46  " and name "HN  ")
 OR { 5344}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "6   " and name "HN  ")
 OR { 5344}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "6   " and name "HN  ")
 OR { 5344}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "6   " and name "HN  ")
 OR { 5344}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "43  " and name "HN  ")
 OR { 5344}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "43  " and name "HN  ")
 OR { 5344}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "43  " and name "HN  ")
 ASSI { 5343}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "45  " and name "HD2 ")
      6.000     6.000     0.000 peak  5343 weight  0.10000E+01 volume  0.20400E+00 ppm1      0.834 ppm2      7.406
 OR { 5343}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 5343}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 5343}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 5343}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 5343}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "45  " and name "HD1 ")
 ASSI { 2653}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "33  " and name "HE1 ")
      6.000     6.000     0.000 peak  2653 weight  0.10000E+01 volume  0.11700E+00 ppm1      0.576 ppm2      3.144
 OR { 2653}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "33  " and name "HE1 ")
 OR { 2653}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "4   " and name "HB2 ")
 OR { 2653}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "33  " and name "HE1 ")
 OR { 2653}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "4   " and name "HB2 ")
 OR { 2653}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "4   " and name "HB2 ")
 OR { 2653}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 2653}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 2653}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "25  " and name "HB2 ")
 ASSI { 2643}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "14  " and name "HA  ")
      5.000     5.000     0.000 peak  2643 weight  0.10000E+01 volume  0.48700E+00 ppm1      0.573 ppm2      5.176
 OR { 2643}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "14  " and name "HA  ")
 OR { 2643}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "14  " and name "HA  ")
 OR { 2643}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 2643}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 2643}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "16  " and name "HA  ")
 ASSI { 2645}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "16  " and name "HN  ")
      5.000     5.000     0.000 peak  2645 weight  0.10000E+01 volume  0.41900E+00 ppm1      0.575 ppm2      8.145
 OR { 2645}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "16  " and name "HN  ")
 OR { 2645}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "16  " and name "HN  ")
 ASSI { 2635}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "15  " and name "HN  ")
      3.300     3.300     0.000 peak  2635 weight  0.10000E+01 volume  0.21120E+01 ppm1      0.574 ppm2      8.762
 OR { 2635}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 2635}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 2635}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "3   " and name "HN  ")
 OR { 2635}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "3   " and name "HN  ")
 OR { 2635}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "3   " and name "HN  ")
 ASSI { 2652}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "3   " and name "HA  ")
      6.000     6.000     0.000 peak  2652 weight  0.10000E+01 volume  0.12100E+00 ppm1      0.573 ppm2      4.406
 OR { 2652}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "3   " and name "HA  ")
 OR { 2652}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "3   " and name "HA  ")
 ASSI { 2647}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "26  " and name "HA  ")
      6.000     6.000     0.000 peak  2647 weight  0.10000E+01 volume  0.19200E+00 ppm1      0.574 ppm2      4.013
 OR { 2647}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 2647}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 2647}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "14  " and name "HB  ")
 OR { 2647}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "14  " and name "HB  ")
 OR { 2647}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "14  " and name "HB  ")
 ASSI { 2646}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "29  " and name "HB2 ")
      5.000     5.000     0.000 peak  2646 weight  0.10000E+01 volume  0.45200E+00 ppm1      0.574 ppm2      2.139
 OR { 2646}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "29  " and name "HB2 ")
 OR { 2646}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "29  " and name "HB2 ")
 OR { 2646}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "2   " and name "HG1 ")
 OR { 2646}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "2   " and name "HG1 ")
 OR { 2646}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "2   " and name "HG1 ")
 OR { 2646}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 2646}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 2646}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "1   " and name "HG2 ")
 ASSI { 2649}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "30  " and name "HA  ")
      6.000     6.000     0.000 peak  2649 weight  0.10000E+01 volume  0.88000E-01 ppm1      0.575 ppm2      3.443
 OR { 2649}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "30  " and name "HA  ")
 OR { 2649}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "30  " and name "HA  ")
 ASSI { 2654}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "29  " and name "HE1 ")
      6.000     6.000     0.000 peak  2654 weight  0.10000E+01 volume  0.10800E+00 ppm1      0.576 ppm2      3.076
 OR { 2654}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "29  " and name "HE1 ")
 OR { 2654}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "33  " and name "HE2 ")
 OR { 2654}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "33  " and name "HE2 ")
 OR { 2654}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "29  " and name "HE1 ")
 OR { 2654}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "33  " and name "HE2 ")
 OR { 2654}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "4   " and name "HB2 ")
 OR { 2654}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "4   " and name "HB2 ")
 OR { 2654}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "4   " and name "HB2 ")
 OR { 2654}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "21  " and name "HB2 ")
 OR { 2654}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "21  " and name "HB2 ")
 OR { 2654}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "21  " and name "HB2 ")
 ASSI { 2650}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "4   " and name "HA  ")
      6.000     6.000     0.000 peak  2650 weight  0.10000E+01 volume  0.85000E-01 ppm1      0.571 ppm2      5.600
 OR { 2650}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "4   " and name "HA  ")
 OR { 2650}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "4   " and name "HA  ")
 ASSI { 2655}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "14  " and name "HN  ")
      6.000     6.000     0.000 peak  2655 weight  0.10000E+01 volume  0.42000E-01 ppm1      0.573 ppm2      8.577
 OR { 2655}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "14  " and name "HN  ")
 OR { 2655}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "14  " and name "HN  ")
 OR { 2655}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "27  " and name "HN  ")
 OR { 2655}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "27  " and name "HN  ")
 OR { 2655}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "27  " and name "HN  ")
 ASSI { 1969}
     (segid "    " and resid "5   " and name "HG23")
     (segid "    " and resid "15  " and name "HN  ")
      5.000     5.000     0.000 peak  1969 weight  0.10000E+01 volume  0.30000E+00 ppm1      0.694 ppm2      8.762
 OR { 1969}
     (segid "    " and resid "5   " and name "HG22")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 1969}
     (segid "    " and resid "5   " and name "HG21")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 1969}
     (segid "    " and resid "5   " and name "HG21")
     (segid "    " and resid "3   " and name "HN  ")
 OR { 1969}
     (segid "    " and resid "5   " and name "HG22")
     (segid "    " and resid "3   " and name "HN  ")
 OR { 1969}
     (segid "    " and resid "5   " and name "HG23")
     (segid "    " and resid "3   " and name "HN  ")
 ASSI { 1962}
     (segid "    " and resid "5   " and name "HG22")
     (segid "    " and resid "4   " and name "HB2 ")
      6.000     6.000     0.000 peak  1962 weight  0.10000E+01 volume  0.10000E+00 ppm1      0.701 ppm2      3.093
 OR { 1962}
     (segid "    " and resid "5   " and name "HG21")
     (segid "    " and resid "4   " and name "HB2 ")
 OR { 1962}
     (segid "    " and resid "5   " and name "HG23")
     (segid "    " and resid "4   " and name "HB2 ")
 OR { 1962}
     (segid "    " and resid "5   " and name "HG22")
     (segid "    " and resid "33  " and name "HE2 ")
 OR { 1962}
     (segid "    " and resid "5   " and name "HG21")
     (segid "    " and resid "33  " and name "HE2 ")
 OR { 1962}
     (segid "    " and resid "5   " and name "HG23")
     (segid "    " and resid "33  " and name "HE2 ")
 OR { 1962}
     (segid "    " and resid "5   " and name "HG22")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 1962}
     (segid "    " and resid "5   " and name "HG22")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 1962}
     (segid "    " and resid "5   " and name "HG23")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 1962}
     (segid "    " and resid "5   " and name "HG23")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 1962}
     (segid "    " and resid "5   " and name "HG21")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 1962}
     (segid "    " and resid "5   " and name "HG23")
     (segid "    " and resid "29  " and name "HE1 ")
 OR { 1962}
     (segid "    " and resid "5   " and name "HG21")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 1962}
     (segid "    " and resid "5   " and name "HG21")
     (segid "    " and resid "29  " and name "HE1 ")
 OR { 1962}
     (segid "    " and resid "5   " and name "HG22")
     (segid "    " and resid "29  " and name "HE1 ")
 ASSI { 1963}
     (segid "    " and resid "5   " and name "HG21")
     (segid "    " and resid "30  " and name "HA  ")
      6.000     6.000     0.000 peak  1963 weight  0.10000E+01 volume  0.85000E-01 ppm1      0.694 ppm2      3.453
 OR { 1963}
     (segid "    " and resid "5   " and name "HG23")
     (segid "    " and resid "30  " and name "HA  ")
 OR { 1963}
     (segid "    " and resid "5   " and name "HG22")
     (segid "    " and resid "30  " and name "HA  ")
 ASSI { 1965}
     (segid "    " and resid "5   " and name "HG23")
     (segid "    " and resid "5   " and name "HA  ")
      3.300     3.300     0.000 peak  1965 weight  0.10000E+01 volume  0.26310E+01 ppm1      0.693 ppm2      4.999
 OR { 1965}
     (segid "    " and resid "5   " and name "HG22")
     (segid "    " and resid "5   " and name "HA  ")
 OR { 1965}
     (segid "    " and resid "5   " and name "HG21")
     (segid "    " and resid "5   " and name "HA  ")
 ASSI { 1966}
     (segid "    " and resid "5   " and name "HG23")
     (segid "    " and resid "14  " and name "HA  ")
      6.000     6.000     0.000 peak  1966 weight  0.10000E+01 volume  0.25000E+00 ppm1      0.695 ppm2      5.227
 OR { 1966}
     (segid "    " and resid "5   " and name "HG21")
     (segid "    " and resid "14  " and name "HA  ")
 OR { 1966}
     (segid "    " and resid "5   " and name "HG22")
     (segid "    " and resid "14  " and name "HA  ")
 OR { 1966}
     (segid "    " and resid "5   " and name "HG21")
     (segid "    " and resid "66  " and name "HA  ")
 OR { 1966}
     (segid "    " and resid "5   " and name "HG23")
     (segid "    " and resid "66  " and name "HA  ")
 OR { 1966}
     (segid "    " and resid "5   " and name "HG22")
     (segid "    " and resid "66  " and name "HA  ")
 OR { 1966}
     (segid "    " and resid "5   " and name "HG22")
     (segid "    " and resid "6   " and name "HA  ")
 OR { 1966}
     (segid "    " and resid "5   " and name "HG21")
     (segid "    " and resid "6   " and name "HA  ")
 OR { 1966}
     (segid "    " and resid "5   " and name "HG23")
     (segid "    " and resid "6   " and name "HA  ")
 ASSI { 1967}
     (segid "    " and resid "5   " and name "HG21")
     (segid "    " and resid "4   " and name "HA  ")
      5.000     5.000     0.000 peak  1967 weight  0.10000E+01 volume  0.40400E+00 ppm1      0.693 ppm2      5.600
 OR { 1967}
     (segid "    " and resid "5   " and name "HG23")
     (segid "    " and resid "4   " and name "HA  ")
 OR { 1967}
     (segid "    " and resid "5   " and name "HG22")
     (segid "    " and resid "4   " and name "HA  ")
 ASSI { 1970}
     (segid "    " and resid "5   " and name "HG22")
     (segid "    " and resid "6   " and name "HN  ")
      5.000     5.000     0.000 peak  1970 weight  0.10000E+01 volume  0.48100E+00 ppm1      0.696 ppm2      8.971
 OR { 1970}
     (segid "    " and resid "5   " and name "HG21")
     (segid "    " and resid "6   " and name "HN  ")
 OR { 1970}
     (segid "    " and resid "5   " and name "HG23")
     (segid "    " and resid "6   " and name "HN  ")
 ASSI { 1971}
     (segid "    " and resid "5   " and name "HG21")
     (segid "    " and resid "5   " and name "HN  ")
      3.300     3.300     0.000 peak  1971 weight  0.10000E+01 volume  0.16650E+01 ppm1      0.694 ppm2      9.220
 OR { 1971}
     (segid "    " and resid "5   " and name "HG23")
     (segid "    " and resid "5   " and name "HN  ")
 OR { 1971}
     (segid "    " and resid "5   " and name "HG22")
     (segid "    " and resid "5   " and name "HN  ")
 ASSI { 1972}
     (segid "    " and resid "5   " and name "HG22")
     (segid "    " and resid "67  " and name "HN  ")
      5.000     5.000     0.000 peak  1972 weight  0.10000E+01 volume  0.41200E+00 ppm1      0.694 ppm2      9.345
 OR { 1972}
     (segid "    " and resid "5   " and name "HG21")
     (segid "    " and resid "67  " and name "HN  ")
 OR { 1972}
     (segid "    " and resid "5   " and name "HG23")
     (segid "    " and resid "67  " and name "HN  ")
 OR { 1972}
     (segid "    " and resid "5   " and name "HG22")
     (segid "    " and resid "68  " and name "HN  ")
 OR { 1972}
     (segid "    " and resid "5   " and name "HG23")
     (segid "    " and resid "68  " and name "HN  ")
 OR { 1972}
     (segid "    " and resid "5   " and name "HG21")
     (segid "    " and resid "68  " and name "HN  ")
 ASSI { 1968}
     (segid "    " and resid "5   " and name "HG21")
     (segid "    " and resid "4   " and name "HN  ")
      6.000     6.000     0.000 peak  1968 weight  0.10000E+01 volume  0.11400E+00 ppm1      0.691 ppm2      8.391
 OR { 1968}
     (segid "    " and resid "5   " and name "HG23")
     (segid "    " and resid "4   " and name "HN  ")
 OR { 1968}
     (segid "    " and resid "5   " and name "HG22")
     (segid "    " and resid "4   " and name "HN  ")
 ASSI { 1973}
     (segid "    " and resid "5   " and name "HG22")
     (segid "    " and resid "13  " and name "HN  ")
      6.000     6.000     0.000 peak  1973 weight  0.10000E+01 volume  0.11800E+00 ppm1      0.692 ppm2      9.685
 OR { 1973}
     (segid "    " and resid "5   " and name "HG21")
     (segid "    " and resid "13  " and name "HN  ")
 OR { 1973}
     (segid "    " and resid "5   " and name "HG23")
     (segid "    " and resid "13  " and name "HN  ")
 ASSI { 8697}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "42  " and name "HD1 ")
      5.000     5.000     0.000 peak  8697 weight  0.10000E+01 volume  0.12160E+01 ppm1      0.830 ppm2      3.074
 OR { 8697}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "42  " and name "HD1 ")
 OR { 8697}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "42  " and name "HD1 ")
 OR { 8697}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 8697}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 8697}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 8697}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 8697}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 8697}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 8697}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 8697}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 8697}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "68  " and name "HB2 ")
 ASSI { 8704}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "7   " and name "HA  ")
      6.000     6.000     0.000 peak  8704 weight  0.10000E+01 volume  0.77000E-01 ppm1      0.838 ppm2      4.860
 OR { 8704}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "7   " and name "HA  ")
 OR { 8704}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "71  " and name "HA  ")
 OR { 8704}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "71  " and name "HA  ")
 OR { 8704}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "7   " and name "HA  ")
 OR { 8704}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "44  " and name "HA  ")
 OR { 8704}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "44  " and name "HA  ")
 OR { 8704}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "71  " and name "HA  ")
 OR { 8704}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "44  " and name "HA  ")
 OR { 8704}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "49  " and name "HA  ")
 OR { 8704}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "49  " and name "HA  ")
 OR { 8704}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 8705}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "69  " and name "HA  ")
      6.000     6.000     0.000 peak  8705 weight  0.10000E+01 volume  0.26500E+00 ppm1      0.829 ppm2      5.096
 OR { 8705}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 8705}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "69  " and name "HA  ")
 ASSI { 8707}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "43  " and name "HA  ")
      6.000     6.000     0.000 peak  8707 weight  0.10000E+01 volume  0.66000E-01 ppm1      0.837 ppm2      5.281
 OR { 8707}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "43  " and name "HA  ")
 OR { 8707}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "43  " and name "HA  ")
 ASSI { 2897}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "70  " and name "HN  ")
      5.000     5.000     0.000 peak  2897 weight  0.10000E+01 volume  0.13600E+01 ppm1      0.829 ppm2      9.235
 OR { 2897}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "70  " and name "HN  ")
 OR { 2897}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "70  " and name "HN  ")
 ASSI { 3122}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "59  " and name "HE1 ")
      6.000     6.000     0.000 peak  3122 weight  0.10000E+01 volume  0.10000E+00 ppm1      0.726 ppm2      6.841
 OR { 3122}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 3122}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 3122}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 3122}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 3122}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "49  " and name "HE22")
 OR { 3122}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 3122}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "49  " and name "HE22")
 OR { 3122}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "49  " and name "HE22")
 OR { 3122}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "25  " and name "HD22")
 OR { 3122}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "25  " and name "HD22")
 OR { 3122}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "25  " and name "HD22")
 ASSI { 3114}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "50  " and name "HD23")
      6.000     6.000     0.000 peak  3114 weight  0.10000E+01 volume  0.18800E+00 ppm1      0.726 ppm2      0.039
 OR { 3114}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "50  " and name "HD21")
 OR { 3114}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "50  " and name "HD21")
 OR { 3114}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "50  " and name "HD21")
 OR { 3114}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "50  " and name "HD23")
 OR { 3114}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "50  " and name "HD22")
 OR { 3114}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "50  " and name "HD22")
 OR { 3114}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "50  " and name "HD22")
 OR { 3114}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "50  " and name "HD23")
 ASSI { 3120}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "54  " and name "HN  ")
      6.000     6.000     0.000 peak  3120 weight  0.10000E+01 volume  0.11200E+00 ppm1      0.725 ppm2      7.493
 OR { 3120}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "54  " and name "HN  ")
 OR { 3120}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "54  " and name "HN  ")
 ASSI { 3117}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "27  " and name "HN  ")
      6.000     6.000     0.000 peak  3117 weight  0.10000E+01 volume  0.28800E+00 ppm1      0.725 ppm2      8.558
 OR { 3117}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "27  " and name "HN  ")
 OR { 3117}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "27  " and name "HN  ")
 OR { 3117}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "50  " and name "HN  ")
 OR { 3117}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "50  " and name "HN  ")
 OR { 3117}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "50  " and name "HN  ")
 ASSI { 3115}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "27  " and name "HB2 ")
      5.000     5.000     0.000 peak  3115 weight  0.10000E+01 volume  0.58000E+00 ppm1      0.725 ppm2      2.009
 OR { 3115}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 3115}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 3115}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "24  " and name "HB2 ")
 OR { 3115}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "24  " and name "HB2 ")
 OR { 3115}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "24  " and name "HB2 ")
 OR { 3115}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "24  " and name "HB1 ")
 OR { 3115}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "38  " and name "HB2 ")
 OR { 3115}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "24  " and name "HB1 ")
 OR { 3115}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "38  " and name "HB2 ")
 OR { 3115}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "24  " and name "HB1 ")
 OR { 3115}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "38  " and name "HB2 ")
 ASSI { 3121}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "26  " and name "HN  ")
      6.000     6.000     0.000 peak  3121 weight  0.10000E+01 volume  0.11300E+00 ppm1      0.727 ppm2      7.737
 OR { 3121}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "26  " and name "HN  ")
 OR { 3121}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "26  " and name "HN  ")
 ASSI { 3111}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "52  " and name "HN  ")
      5.000     5.000     0.000 peak  3111 weight  0.10000E+01 volume  0.53400E+00 ppm1      0.726 ppm2      8.188
 OR { 3111}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "52  " and name "HN  ")
 OR { 3111}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "52  " and name "HN  ")
 OR { 3111}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "51  " and name "HN  ")
 OR { 3111}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "51  " and name "HN  ")
 OR { 3111}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "51  " and name "HN  ")
 ASSI { 3103}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "52  " and name "HA  ")
      3.300     3.300     0.000 peak  3103 weight  0.10000E+01 volume  0.16470E+01 ppm1      0.726 ppm2      4.274
 OR { 3103}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "52  " and name "HA  ")
 OR { 3103}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "52  " and name "HA  ")
 ASSI { 1979}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "24  " and name "HN  ")
      5.000     5.000     0.000 peak  1979 weight  0.10000E+01 volume  0.38800E+00 ppm1      0.727 ppm2     10.177
 OR { 1979}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "24  " and name "HN  ")
 OR { 1979}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "24  " and name "HN  ")
 ASSI { 3107}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "24  " and name "HA  ")
      5.000     5.000     0.000 peak  3107 weight  0.10000E+01 volume  0.63500E+00 ppm1      0.727 ppm2      3.857
 OR { 3107}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "24  " and name "HA  ")
 OR { 3107}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "24  " and name "HA  ")
 OR { 3107}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "50  " and name "HA  ")
 OR { 3107}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "50  " and name "HA  ")
 OR { 3107}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "50  " and name "HA  ")
 ASSI { 3108}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "27  " and name "HE1 ")
      5.000     5.000     0.000 peak  3108 weight  0.10000E+01 volume  0.72100E+00 ppm1      0.728 ppm2      2.745
 OR { 3108}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "27  " and name "HE1 ")
 OR { 3108}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "27  " and name "HE1 ")
 ASSI { 3106}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "23  " and name "HN  ")
      5.000     5.000     0.000 peak  3106 weight  0.10000E+01 volume  0.67900E+00 ppm1      0.727 ppm2      8.387
 OR { 3106}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "23  " and name "HN  ")
 OR { 3106}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "23  " and name "HN  ")
 ASSI { 3102}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "27  " and name "HE2 ")
      3.300     3.300     0.000 peak  3102 weight  0.10000E+01 volume  0.19540E+01 ppm1      0.726 ppm2      2.597
 OR { 3102}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "27  " and name "HE2 ")
 OR { 3102}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "27  " and name "HE2 ")
 ASSI { 3118}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "51  " and name "HA  ")
      6.000     6.000     0.000 peak  3118 weight  0.10000E+01 volume  0.29000E+00 ppm1      0.731 ppm2      4.548
 OR { 3118}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "51  " and name "HA  ")
 OR { 3118}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "51  " and name "HA  ")
 OR { 3118}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 3118}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 3118}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "22  " and name "HB  ")
 ASSI { 3119}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "53  " and name "HN  ")
      6.000     6.000     0.000 peak  3119 weight  0.10000E+01 volume  0.14300E+00 ppm1      0.727 ppm2      9.981
 OR { 3119}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "53  " and name "HN  ")
 OR { 3119}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "53  " and name "HN  ")
 ASSI { 1959}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "11  " and name "HA  ")
      6.000     6.000     0.000 peak  1959 weight  0.10000E+01 volume  0.10700E+00 ppm1      1.142 ppm2      4.314
 OR { 1959}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "11  " and name "HA  ")
 OR { 1959}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "11  " and name "HA  ")
 OR { 1959}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "8   " and name "HA  ")
 OR { 1959}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "8   " and name "HA  ")
 OR { 1959}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "10  " and name "HA1 ")
 OR { 1959}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "10  " and name "HA1 ")
 OR { 1959}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "8   " and name "HA  ")
 OR { 1959}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "10  " and name "HA1 ")
 ASSI { 1941}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "70  " and name "HA  ")
      6.000     6.000     0.000 peak  1941 weight  0.10000E+01 volume  0.12300E+00 ppm1      1.135 ppm2      4.375
 OR { 1941}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "11  " and name "HA  ")
 OR { 1941}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 1941}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 1941}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "11  " and name "HA  ")
 OR { 1941}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "11  " and name "HA  ")
 OR { 1941}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "10  " and name "HA1 ")
 OR { 1941}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "10  " and name "HA1 ")
 OR { 1941}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "10  " and name "HA1 ")
 OR { 1941}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "9   " and name "HA  ")
 OR { 1941}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "9   " and name "HA  ")
 OR { 1941}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "9   " and name "HA  ")
 ASSI { 2383}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "11  " and name "HE2 ")
      6.000     6.000     0.000 peak  2383 weight  0.10000E+01 volume  0.18400E+00 ppm1      1.136 ppm2      2.929
 OR { 2383}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 2383}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 2383}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 2383}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 2383}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 2383}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "6   " and name "HE2 ")
 OR { 2383}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "6   " and name "HE2 ")
 OR { 2383}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "6   " and name "HE2 ")
 ASSI { 2603}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "7   " and name "HB  ")
      2.700     2.700     0.000 peak  2603 weight  0.10000E+01 volume  0.34910E+01 ppm1      1.139 ppm2      4.785
 OR { 2603}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "7   " and name "HB  ")
 OR { 2603}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "7   " and name "HB  ")
 ASSI { 2640}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "12  " and name "HA  ")
      5.000     5.000     0.000 peak  2640 weight  0.10000E+01 volume  0.52300E+00 ppm1      1.139 ppm2      5.079
 OR { 2640}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "12  " and name "HA  ")
 OR { 2640}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "12  " and name "HA  ")
 OR { 2640}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 2640}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 2640}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "69  " and name "HA  ")
 ASSI { 2764}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "6   " and name "HA  ")
      5.000     5.000     0.000 peak  2764 weight  0.10000E+01 volume  0.73300E+00 ppm1      1.138 ppm2      5.237
 OR { 2764}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "6   " and name "HA  ")
 OR { 2764}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "6   " and name "HA  ")
 ASSI { 2767}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "11  " and name "HN  ")
      6.000     6.000     0.000 peak  2767 weight  0.10000E+01 volume  0.22700E+00 ppm1      1.138 ppm2      7.282
 OR { 2767}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "11  " and name "HN  ")
 OR { 2767}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "11  " and name "HN  ")
 ASSI { 2771}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "69  " and name "HN  ")
      6.000     6.000     0.000 peak  2771 weight  0.10000E+01 volume  0.11300E+00 ppm1      1.141 ppm2      8.339
 OR { 2771}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "69  " and name "HN  ")
 OR { 2771}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "69  " and name "HN  ")
 ASSI { 2782}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "7   " and name "HN  ")
      3.300     3.300     0.000 peak  2782 weight  0.10000E+01 volume  0.28380E+01 ppm1      1.136 ppm2      8.763
 OR { 2782}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "7   " and name "HN  ")
 OR { 2782}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "7   " and name "HN  ")
 ASSI { 2786}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "8   " and name "HN  ")
      5.000     5.000     0.000 peak  2786 weight  0.10000E+01 volume  0.32800E+00 ppm1      1.140 ppm2      9.066
 OR { 2786}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "8   " and name "HN  ")
 OR { 2786}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "8   " and name "HN  ")
 ASSI { 2791}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "70  " and name "HN  ")
      6.000     6.000     0.000 peak  2791 weight  0.10000E+01 volume  0.75000E-01 ppm1      1.139 ppm2      9.234
 OR { 2791}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "70  " and name "HN  ")
 OR { 2791}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "70  " and name "HN  ")
 OR { 2791}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "5   " and name "HN  ")
 OR { 2791}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "5   " and name "HN  ")
 OR { 2791}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "5   " and name "HN  ")
 ASSI { 2797}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "13  " and name "HN  ")
      6.000     6.000     0.000 peak  2797 weight  0.10000E+01 volume  0.29000E+00 ppm1      1.136 ppm2      9.685
 OR { 2797}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "13  " and name "HN  ")
 OR { 2797}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "13  " and name "HN  ")
 ASSI { 5273}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "67  " and name "HA  ")
      6.000     6.000     0.000 peak  5273 weight  0.10000E+01 volume  0.25100E+00 ppm1      0.908 ppm2      4.601
 OR { 5273}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 5273}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 5273}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "65  " and name "HA  ")
 OR { 5273}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "65  " and name "HA  ")
 OR { 5273}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "65  " and name "HA  ")
 ASSI { 5276}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "4   " and name "HA  ")
      6.000     6.000     0.000 peak  5276 weight  0.10000E+01 volume  0.29000E-01 ppm1      0.900 ppm2      5.599
 OR { 5276}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "4   " and name "HA  ")
 OR { 5276}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "4   " and name "HA  ")
 ASSI { 5269}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "6   " and name "HE1 ")
      5.000     5.000     0.000 peak  5269 weight  0.10000E+01 volume  0.61800E+00 ppm1      0.900 ppm2      2.889
 OR { 5269}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "6   " and name "HE1 ")
 OR { 5269}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "6   " and name "HE2 ")
 OR { 5269}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "6   " and name "HE1 ")
 OR { 5269}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "6   " and name "HE2 ")
 OR { 5269}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "6   " and name "HE2 ")
 ASSI { 5261}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "67  " and name "HN  ")
      5.000     5.000     0.000 peak  5261 weight  0.10000E+01 volume  0.14630E+01 ppm1      0.900 ppm2      9.336
 OR { 5261}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "67  " and name "HN  ")
 OR { 5261}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "67  " and name "HN  ")
 OR { 5261}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "68  " and name "HN  ")
 OR { 5261}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "68  " and name "HN  ")
 OR { 5261}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "68  " and name "HN  ")
 ASSI { 5272}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "66  " and name "HN  ")
      5.000     5.000     0.000 peak  5272 weight  0.10000E+01 volume  0.33300E+00 ppm1      0.898 ppm2      8.647
 OR { 5272}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "66  " and name "HN  ")
 OR { 5272}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "66  " and name "HN  ")
 ASSI { 5268}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "68  " and name "HE1 ")
      5.000     5.000     0.000 peak  5268 weight  0.10000E+01 volume  0.48900E+00 ppm1      0.899 ppm2      8.000
 OR { 5268}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "68  " and name "HE1 ")
 OR { 5268}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "68  " and name "HE1 ")
 ASSI { 5262}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "42  " and name "HD1 ")
      5.000     5.000     0.000 peak  5262 weight  0.10000E+01 volume  0.12470E+01 ppm1      0.901 ppm2      3.087
 OR { 5262}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 5262}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "42  " and name "HD1 ")
 OR { 5262}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 5262}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "42  " and name "HD1 ")
 OR { 5262}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 5262}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "4   " and name "HB2 ")
 OR { 5262}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "4   " and name "HB2 ")
 OR { 5262}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 5262}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "4   " and name "HB2 ")
 OR { 5262}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 5262}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 5262}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 5262}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 5262}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 5262}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 5262}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 5262}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 5262}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 5262}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 5262}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 5262}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "42  " and name "HD1 ")
 OR { 5262}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "4   " and name "HB2 ")
 OR { 5262}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "42  " and name "HD1 ")
 OR { 5262}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 5262}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 5262}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 5262}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "42  " and name "HD1 ")
 OR { 5262}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "4   " and name "HB2 ")
 OR { 5262}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "4   " and name "HB2 ")
 ASSI { 5265}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "6   " and name "HN  ")
      5.000     5.000     0.000 peak  5265 weight  0.10000E+01 volume  0.51900E+00 ppm1      0.900 ppm2      8.970
 OR { 5265}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "6   " and name "HN  ")
 OR { 5265}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "6   " and name "HN  ")
 OR { 5265}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "46  " and name "HN  ")
 OR { 5265}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "46  " and name "HN  ")
 OR { 5265}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "43  " and name "HN  ")
 OR { 5265}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "46  " and name "HN  ")
 OR { 5265}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "46  " and name "HN  ")
 OR { 5265}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "6   " and name "HN  ")
 OR { 5265}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "43  " and name "HN  ")
 OR { 5265}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "43  " and name "HN  ")
 OR { 5265}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "43  " and name "HN  ")
 ASSI { 5267}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "4   " and name "HB1 ")
      5.000     5.000     0.000 peak  5267 weight  0.10000E+01 volume  0.62100E+00 ppm1      0.901 ppm2      2.804
 OR { 5267}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "4   " and name "HB1 ")
 OR { 5267}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "4   " and name "HB1 ")
 ASSI { 5266}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "5   " and name "HA  ")
      5.000     5.000     0.000 peak  5266 weight  0.10000E+01 volume  0.61400E+00 ppm1      0.900 ppm2      4.999
 OR { 5266}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "5   " and name "HA  ")
 OR { 5266}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "5   " and name "HA  ")
 OR { 5266}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "68  " and name "HA  ")
 OR { 5266}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "68  " and name "HA  ")
 OR { 5266}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "68  " and name "HA  ")
 OR { 5266}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "68  " and name "HA  ")
 OR { 5266}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "68  " and name "HA  ")
 OR { 5266}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "5   " and name "HA  ")
 OR { 5266}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "5   " and name "HA  ")
 ASSI { 1978}
     (segid "    " and resid "5   " and name "HG13")
     (segid "    " and resid "69  " and name "HN  ")
      5.000     5.000     0.000 peak  1978 weight  0.10000E+01 volume  0.70000E+00 ppm1      0.684 ppm2      8.337
 OR { 1978}
     (segid "    " and resid "5   " and name "HG11")
     (segid "    " and resid "69  " and name "HN  ")
 OR { 1978}
     (segid "    " and resid "5   " and name "HG12")
     (segid "    " and resid "69  " and name "HN  ")
 ASSI { 1982}
     (segid "    " and resid "5   " and name "HG13")
     (segid "    " and resid "7   " and name "HN  ")
      5.000     5.000     0.000 peak  1982 weight  0.10000E+01 volume  0.30300E+00 ppm1      0.683 ppm2      8.780
 OR { 1982}
     (segid "    " and resid "5   " and name "HG12")
     (segid "    " and resid "7   " and name "HN  ")
 OR { 1982}
     (segid "    " and resid "5   " and name "HG11")
     (segid "    " and resid "7   " and name "HN  ")
 OR { 1982}
     (segid "    " and resid "5   " and name "HG13")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 1982}
     (segid "    " and resid "5   " and name "HG11")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 1982}
     (segid "    " and resid "5   " and name "HG12")
     (segid "    " and resid "15  " and name "HN  ")
 ASSI { 1976}
     (segid "    " and resid "5   " and name "HG11")
     (segid "    " and resid "5   " and name "HA  ")
      2.700     2.700     0.000 peak  1976 weight  0.10000E+01 volume  0.33260E+01 ppm1      0.684 ppm2      5.006
 OR { 1976}
     (segid "    " and resid "5   " and name "HG13")
     (segid "    " and resid "5   " and name "HA  ")
 OR { 1976}
     (segid "    " and resid "5   " and name "HG12")
     (segid "    " and resid "5   " and name "HA  ")
 ASSI { 1975}
     (segid "    " and resid "5   " and name "HG13")
     (segid "    " and resid "6   " and name "HA  ")
      5.000     5.000     0.000 peak  1975 weight  0.10000E+01 volume  0.40900E+00 ppm1      0.685 ppm2      5.248
 OR { 1975}
     (segid "    " and resid "5   " and name "HG11")
     (segid "    " and resid "6   " and name "HA  ")
 OR { 1975}
     (segid "    " and resid "5   " and name "HG12")
     (segid "    " and resid "6   " and name "HA  ")
 OR { 1975}
     (segid "    " and resid "5   " and name "HG13")
     (segid "    " and resid "43  " and name "HA  ")
 OR { 1975}
     (segid "    " and resid "5   " and name "HG12")
     (segid "    " and resid "43  " and name "HA  ")
 OR { 1975}
     (segid "    " and resid "5   " and name "HG11")
     (segid "    " and resid "43  " and name "HA  ")
 OR { 1975}
     (segid "    " and resid "5   " and name "HG13")
     (segid "    " and resid "66  " and name "HA  ")
 OR { 1975}
     (segid "    " and resid "5   " and name "HG11")
     (segid "    " and resid "66  " and name "HA  ")
 OR { 1975}
     (segid "    " and resid "5   " and name "HG12")
     (segid "    " and resid "66  " and name "HA  ")
 ASSI { 1983}
     (segid "    " and resid "5   " and name "HG11")
     (segid "    " and resid "6   " and name "HN  ")
      3.300     3.300     0.000 peak  1983 weight  0.10000E+01 volume  0.15060E+01 ppm1      0.685 ppm2      8.971
 OR { 1983}
     (segid "    " and resid "5   " and name "HG13")
     (segid "    " and resid "6   " and name "HN  ")
 OR { 1983}
     (segid "    " and resid "5   " and name "HG12")
     (segid "    " and resid "6   " and name "HN  ")
 ASSI { 1984}
     (segid "    " and resid "5   " and name "HG12")
     (segid "    " and resid "5   " and name "HN  ")
      5.000     5.000     0.000 peak  1984 weight  0.10000E+01 volume  0.56800E+00 ppm1      0.685 ppm2      9.221
 OR { 1984}
     (segid "    " and resid "5   " and name "HG13")
     (segid "    " and resid "5   " and name "HN  ")
 OR { 1984}
     (segid "    " and resid "5   " and name "HG11")
     (segid "    " and resid "5   " and name "HN  ")
 OR { 1984}
     (segid "    " and resid "5   " and name "HG13")
     (segid "    " and resid "70  " and name "HN  ")
 OR { 1984}
     (segid "    " and resid "5   " and name "HG12")
     (segid "    " and resid "70  " and name "HN  ")
 OR { 1984}
     (segid "    " and resid "5   " and name "HG11")
     (segid "    " and resid "70  " and name "HN  ")
 ASSI { 1986}
     (segid "    " and resid "5   " and name "HG12")
     (segid "    " and resid "13  " and name "HN  ")
      6.000     6.000     0.000 peak  1986 weight  0.10000E+01 volume  0.11600E+00 ppm1      0.684 ppm2      9.685
 OR { 1986}
     (segid "    " and resid "5   " and name "HG13")
     (segid "    " and resid "13  " and name "HN  ")
 OR { 1986}
     (segid "    " and resid "5   " and name "HG11")
     (segid "    " and resid "13  " and name "HN  ")
 ASSI { 1985}
     (segid "    " and resid "5   " and name "HG13")
     (segid "    " and resid "67  " and name "HN  ")
      6.000     6.000     0.000 peak  1985 weight  0.10000E+01 volume  0.19500E+00 ppm1      0.683 ppm2      9.340
 OR { 1985}
     (segid "    " and resid "5   " and name "HG11")
     (segid "    " and resid "67  " and name "HN  ")
 OR { 1985}
     (segid "    " and resid "5   " and name "HG12")
     (segid "    " and resid "67  " and name "HN  ")
 OR { 1985}
     (segid "    " and resid "5   " and name "HG11")
     (segid "    " and resid "68  " and name "HN  ")
 OR { 1985}
     (segid "    " and resid "5   " and name "HG13")
     (segid "    " and resid "68  " and name "HN  ")
 OR { 1985}
     (segid "    " and resid "5   " and name "HG12")
     (segid "    " and resid "68  " and name "HN  ")
 ASSI { 8682}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "65  " and name "HA  ")
      6.000     6.000     0.000 peak  8682 weight  0.10000E+01 volume  0.18800E+00 ppm1      0.939 ppm2      4.575
 OR { 8682}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "65  " and name "HA  ")
 OR { 8682}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "65  " and name "HA  ")
 OR { 8682}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "9   " and name "HB  ")
 OR { 8682}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "9   " and name "HB  ")
 OR { 8682}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "9   " and name "HB  ")
 OR { 8682}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "9   " and name "HB  ")
 OR { 8682}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "65  " and name "HA  ")
 ASSI { 8683}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "71  " and name "HA  ")
      6.000     6.000     0.000 peak  8683 weight  0.10000E+01 volume  0.96000E-01 ppm1      0.940 ppm2      4.851
 OR { 8683}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "71  " and name "HA  ")
 OR { 8683}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "71  " and name "HA  ")
 OR { 8683}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "44  " and name "HA  ")
 OR { 8683}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "44  " and name "HA  ")
 OR { 8683}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "44  " and name "HA  ")
 ASSI { 8684}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "69  " and name "HA  ")
      6.000     6.000     0.000 peak  8684 weight  0.10000E+01 volume  0.24600E+00 ppm1      0.941 ppm2      5.091
 OR { 8684}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 8684}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 8684}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "12  " and name "HA  ")
 OR { 8684}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "12  " and name "HA  ")
 OR { 8684}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "12  " and name "HA  ")
 OR { 8684}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 8684}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 8684}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 8684}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "12  " and name "HA  ")
 OR { 8684}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "12  " and name "HA  ")
 OR { 8684}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "12  " and name "HA  ")
 ASSI { 8685}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "71  " and name "HN  ")
      5.000     5.000     0.000 peak  8685 weight  0.10000E+01 volume  0.10700E+01 ppm1      0.940 ppm2      8.074
 OR { 8685}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "71  " and name "HN  ")
 OR { 8685}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "71  " and name "HN  ")
 ASSI { 8686}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "73  " and name "HN  ")
      6.000     6.000     0.000 peak  8686 weight  0.10000E+01 volume  0.98000E-01 ppm1      0.941 ppm2      8.339
 OR { 8686}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "73  " and name "HN  ")
 OR { 8686}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "73  " and name "HN  ")
 OR { 8686}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "69  " and name "HN  ")
 OR { 8686}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "69  " and name "HN  ")
 OR { 8686}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "69  " and name "HN  ")
 OR { 8686}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "69  " and name "HN  ")
 OR { 8686}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "69  " and name "HN  ")
 OR { 8686}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "73  " and name "HN  ")
 OR { 8686}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "73  " and name "HN  ")
 ASSI { 8687}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "70  " and name "HN  ")
      5.000     5.000     0.000 peak  8687 weight  0.10000E+01 volume  0.50200E+00 ppm1      0.938 ppm2      9.236
 OR { 8687}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "70  " and name "HN  ")
 OR { 8687}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "70  " and name "HN  ")
 ASSI { 2588}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "15  " and name "HA  ")
      6.000     6.000     0.000 peak  2588 weight  0.10000E+01 volume  0.25600E+00 ppm1      1.084 ppm2      4.555
 OR { 2588}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "15  " and name "HA  ")
 OR { 2588}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "15  " and name "HA  ")
 ASSI { 2585}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "2   " and name "HE21")
      5.000     5.000     0.000 peak  2585 weight  0.10000E+01 volume  0.33800E+00 ppm1      1.087 ppm2      7.417
 OR { 2585}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "2   " and name "HE21")
 OR { 2585}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "2   " and name "HE21")
 ASSI { 2586}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "2   " and name "HE22")
      6.000     6.000     0.000 peak  2586 weight  0.10000E+01 volume  0.22700E+00 ppm1      1.087 ppm2      6.706
 OR { 2586}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "2   " and name "HE22")
 OR { 2586}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "2   " and name "HE22")
 ASSI { 2578}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "2   " and name "HG1 ")
      5.000     5.000     0.000 peak  2578 weight  0.10000E+01 volume  0.95000E+00 ppm1      1.083 ppm2      2.170
 OR { 2578}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "2   " and name "HG1 ")
 OR { 2578}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "2   " and name "HG1 ")
 ASSI { 2577}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "4   " and name "HE2 ")
      5.000     5.000     0.000 peak  2577 weight  0.10000E+01 volume  0.13260E+01 ppm1      1.084 ppm2      7.250
 OR { 2577}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "4   " and name "HE2 ")
 OR { 2577}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "4   " and name "HE2 ")
 OR { 2577}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "4   " and name "HE1 ")
 OR { 2577}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "4   " and name "HE1 ")
 OR { 2577}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "4   " and name "HE1 ")
 OR { 2577}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "4   " and name "HZ  ")
 OR { 2577}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "4   " and name "HE2 ")
 OR { 2577}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "4   " and name "HZ  ")
 OR { 2577}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "4   " and name "HZ  ")
 OR { 2577}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "4   " and name "HE1 ")
 OR { 2577}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "4   " and name "HE1 ")
 OR { 2577}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "4   " and name "HE2 ")
 OR { 2577}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "4   " and name "HZ  ")
 OR { 2577}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "4   " and name "HZ  ")
 ASSI { 2576}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "15  " and name "HN  ")
      3.300     3.300     0.000 peak  2576 weight  0.10000E+01 volume  0.18650E+01 ppm1      1.083 ppm2      8.762
 OR { 2576}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 2576}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 2576}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "3   " and name "HN  ")
 OR { 2576}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "3   " and name "HN  ")
 OR { 2576}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "3   " and name "HN  ")
 ASSI { 2581}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "14  " and name "HN  ")
      5.000     5.000     0.000 peak  2581 weight  0.10000E+01 volume  0.63900E+00 ppm1      1.083 ppm2      8.572
 OR { 2581}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "14  " and name "HN  ")
 OR { 2581}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "14  " and name "HN  ")
 OR { 2581}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "12  " and name "HN  ")
 OR { 2581}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "12  " and name "HN  ")
 OR { 2581}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "12  " and name "HN  ")
 OR { 2581}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "14  " and name "HN  ")
 OR { 2581}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "14  " and name "HN  ")
 OR { 2581}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "14  " and name "HN  ")
 OR { 2581}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "12  " and name "HN  ")
 OR { 2581}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "12  " and name "HN  ")
 OR { 2581}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "12  " and name "HN  ")
 ASSI { 2590}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "2   " and name "HA  ")
      6.000     6.000     0.000 peak  2590 weight  0.10000E+01 volume  0.13900E+00 ppm1      1.083 ppm2      4.652
 OR { 2590}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "2   " and name "HA  ")
 OR { 2590}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "2   " and name "HA  ")
 ASSI { 2364}
     (segid "    " and resid "9   " and name "HG23")
     (segid "    " and resid "9   " and name "HN  ")
      5.000     5.000     0.000 peak  2364 weight  0.10000E+01 volume  0.45000E+00 ppm1      1.260 ppm2      7.652
 OR { 2364}
     (segid "    " and resid "9   " and name "HG22")
     (segid "    " and resid "9   " and name "HN  ")
 OR { 2364}
     (segid "    " and resid "9   " and name "HG21")
     (segid "    " and resid "9   " and name "HN  ")
 ASSI { 2371}
     (segid "    " and resid "9   " and name "HG21")
     (segid "    " and resid "8   " and name "HN  ")
      6.000     6.000     0.000 peak  2371 weight  0.10000E+01 volume  0.91000E-01 ppm1      1.262 ppm2      9.072
 OR { 2371}
     (segid "    " and resid "9   " and name "HG23")
     (segid "    " and resid "8   " and name "HN  ")
 OR { 2371}
     (segid "    " and resid "9   " and name "HG22")
     (segid "    " and resid "8   " and name "HN  ")
 ASSI { 2627}
     (segid "    " and resid "15  " and name "HG13")
     (segid "    " and resid "33  " and name "HE2 ")
      5.000     5.000     0.000 peak  2627 weight  0.10000E+01 volume  0.30800E+00 ppm1      0.719 ppm2      3.075
 OR { 2627}
     (segid "    " and resid "15  " and name "HG12")
     (segid "    " and resid "33  " and name "HE2 ")
 OR { 2627}
     (segid "    " and resid "15  " and name "HG11")
     (segid "    " and resid "33  " and name "HE2 ")
 OR { 2627}
     (segid "    " and resid "15  " and name "HG11")
     (segid "    " and resid "29  " and name "HE1 ")
 OR { 2627}
     (segid "    " and resid "15  " and name "HG13")
     (segid "    " and resid "29  " and name "HE1 ")
 OR { 2627}
     (segid "    " and resid "15  " and name "HG12")
     (segid "    " and resid "29  " and name "HE1 ")
 ASSI { 2370}
     (segid "    " and resid "9   " and name "HG21")
     (segid "    " and resid "8   " and name "HA  ")
      6.000     6.000     0.000 peak  2370 weight  0.10000E+01 volume  0.21200E+00 ppm1      1.266 ppm2      4.311
 OR { 2370}
     (segid "    " and resid "9   " and name "HG23")
     (segid "    " and resid "8   " and name "HA  ")
 OR { 2370}
     (segid "    " and resid "9   " and name "HG22")
     (segid "    " and resid "8   " and name "HA  ")
 OR { 2370}
     (segid "    " and resid "9   " and name "HG21")
     (segid "    " and resid "10  " and name "HA1 ")
 OR { 2370}
     (segid "    " and resid "9   " and name "HG22")
     (segid "    " and resid "10  " and name "HA1 ")
 OR { 2370}
     (segid "    " and resid "9   " and name "HG23")
     (segid "    " and resid "10  " and name "HA1 ")
 OR { 2370}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "52  " and name "HA  ")
 OR { 2370}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "52  " and name "HA  ")
 OR { 2370}
     (segid "    " and resid "9   " and name "HG22")
     (segid "    " and resid "11  " and name "HA  ")
 OR { 2370}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "52  " and name "HA  ")
 OR { 2370}
     (segid "    " and resid "9   " and name "HG21")
     (segid "    " and resid "11  " and name "HA  ")
 OR { 2370}
     (segid "    " and resid "9   " and name "HG23")
     (segid "    " and resid "11  " and name "HA  ")
 OR { 2370}
     (segid "    " and resid "9   " and name "HG21")
     (segid "    " and resid "52  " and name "HA  ")
 OR { 2370}
     (segid "    " and resid "9   " and name "HG23")
     (segid "    " and resid "52  " and name "HA  ")
 OR { 2370}
     (segid "    " and resid "9   " and name "HG22")
     (segid "    " and resid "52  " and name "HA  ")
 OR { 2370}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "8   " and name "HA  ")
 OR { 2370}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "8   " and name "HA  ")
 OR { 2370}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "8   " and name "HA  ")
 OR { 2370}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "11  " and name "HA  ")
 OR { 2370}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "11  " and name "HA  ")
 OR { 2370}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "11  " and name "HA  ")
 OR { 2370}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "10  " and name "HA1 ")
 OR { 2370}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "10  " and name "HA1 ")
 OR { 2370}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "10  " and name "HA1 ")
 ASSI { 2628}
     (segid "    " and resid "15  " and name "HG13")
     (segid "    " and resid "14  " and name "HA  ")
      6.000     6.000     0.000 peak  2628 weight  0.10000E+01 volume  0.28400E+00 ppm1      0.720 ppm2      5.176
 OR { 2628}
     (segid "    " and resid "15  " and name "HG12")
     (segid "    " and resid "14  " and name "HA  ")
 OR { 2628}
     (segid "    " and resid "15  " and name "HG11")
     (segid "    " and resid "14  " and name "HA  ")
 OR { 2628}
     (segid "    " and resid "15  " and name "HG12")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 2628}
     (segid "    " and resid "15  " and name "HG13")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 2628}
     (segid "    " and resid "15  " and name "HG11")
     (segid "    " and resid "16  " and name "HA  ")
 ASSI { 2633}
     (segid "    " and resid "15  " and name "HG13")
     (segid "    " and resid "14  " and name "HN  ")
      6.000     6.000     0.000 peak  2633 weight  0.10000E+01 volume  0.10800E+00 ppm1      0.719 ppm2      8.575
 OR { 2633}
     (segid "    " and resid "15  " and name "HG12")
     (segid "    " and resid "14  " and name "HN  ")
 OR { 2633}
     (segid "    " and resid "15  " and name "HG11")
     (segid "    " and resid "14  " and name "HN  ")
 ASSI { 2471}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "4   " and name "HD2 ")
      3.300     3.300     0.000 peak  2471 weight  0.10000E+01 volume  0.16210E+01 ppm1      1.052 ppm2      7.102
 OR { 2471}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "4   " and name "HD2 ")
 OR { 2471}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "4   " and name "HD1 ")
 OR { 2471}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "4   " and name "HD1 ")
 OR { 2471}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "4   " and name "HD2 ")
 OR { 2471}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "4   " and name "HD1 ")
 OR { 2471}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "4   " and name "HD2 ")
 OR { 2471}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "4   " and name "HD2 ")
 OR { 2471}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "4   " and name "HD1 ")
 OR { 2471}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "4   " and name "HD1 ")
 OR { 2471}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "4   " and name "HD1 ")
 OR { 2471}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "4   " and name "HD2 ")
 ASSI { 2619}
     (segid "    " and resid "15  " and name "HG11")
     (segid "    " and resid "15  " and name "HN  ")
      5.000     5.000     0.000 peak  2619 weight  0.10000E+01 volume  0.59400E+00 ppm1      0.718 ppm2      8.763
 OR { 2619}
     (segid "    " and resid "15  " and name "HG13")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 2619}
     (segid "    " and resid "15  " and name "HG12")
     (segid "    " and resid "15  " and name "HN  ")
 ASSI { 2626}
     (segid "    " and resid "15  " and name "HG11")
     (segid "    " and resid "26  " and name "HA  ")
      6.000     6.000     0.000 peak  2626 weight  0.10000E+01 volume  0.26000E+00 ppm1      0.718 ppm2      4.001
 OR { 2626}
     (segid "    " and resid "15  " and name "HG12")
     (segid "    " and resid "14  " and name "HB  ")
 OR { 2626}
     (segid "    " and resid "15  " and name "HG13")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 2626}
     (segid "    " and resid "15  " and name "HG13")
     (segid "    " and resid "14  " and name "HB  ")
 OR { 2626}
     (segid "    " and resid "15  " and name "HG11")
     (segid "    " and resid "14  " and name "HB  ")
 OR { 2626}
     (segid "    " and resid "15  " and name "HG12")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 2630}
     (segid "    " and resid "15  " and name "HG13")
     (segid "    " and resid "33  " and name "HE1 ")
      6.000     6.000     0.000 peak  2630 weight  0.10000E+01 volume  0.18700E+00 ppm1      0.715 ppm2      3.173
 OR { 2630}
     (segid "    " and resid "15  " and name "HG11")
     (segid "    " and resid "33  " and name "HE1 ")
 OR { 2630}
     (segid "    " and resid "15  " and name "HG12")
     (segid "    " and resid "33  " and name "HE1 ")
 ASSI { 2622}
     (segid "    " and resid "15  " and name "HG11")
     (segid "    " and resid "30  " and name "HA  ")
      5.000     5.000     0.000 peak  2622 weight  0.10000E+01 volume  0.30200E+00 ppm1      0.715 ppm2      3.444
 OR { 2622}
     (segid "    " and resid "15  " and name "HG12")
     (segid "    " and resid "30  " and name "HA  ")
 OR { 2622}
     (segid "    " and resid "15  " and name "HG13")
     (segid "    " and resid "30  " and name "HA  ")
 ASSI { 2473}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "4   " and name "HA  ")
      5.000     5.000     0.000 peak  2473 weight  0.10000E+01 volume  0.65900E+00 ppm1      1.049 ppm2      5.602
 OR { 2473}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "4   " and name "HA  ")
 OR { 2473}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "4   " and name "HA  ")
 OR { 2473}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "4   " and name "HA  ")
 OR { 2473}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "4   " and name "HA  ")
 OR { 2473}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "4   " and name "HA  ")
 ASSI { 2616}
     (segid "    " and resid "15  " and name "HG13")
     (segid "    " and resid "16  " and name "HN  ")
      5.000     5.000     0.000 peak  2616 weight  0.10000E+01 volume  0.85300E+00 ppm1      0.718 ppm2      8.149
 OR { 2616}
     (segid "    " and resid "15  " and name "HG12")
     (segid "    " and resid "16  " and name "HN  ")
 OR { 2616}
     (segid "    " and resid "15  " and name "HG11")
     (segid "    " and resid "16  " and name "HN  ")
 ASSI { 2470}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "13  " and name "HN  ")
      3.300     3.300     0.000 peak  2470 weight  0.10000E+01 volume  0.15390E+01 ppm1      1.050 ppm2      9.686
 OR { 2470}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "13  " and name "HN  ")
 OR { 2470}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "13  " and name "HN  ")
 ASSI { 2475}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "5   " and name "HN  ")
      5.000     5.000     0.000 peak  2475 weight  0.10000E+01 volume  0.73800E+00 ppm1      1.050 ppm2      9.224
 OR { 2475}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "5   " and name "HN  ")
 OR { 2475}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "5   " and name "HN  ")
 ASSI { 2629}
     (segid "    " and resid "15  " and name "HG13")
     (segid "    " and resid "29  " and name "HA  ")
      6.000     6.000     0.000 peak  2629 weight  0.10000E+01 volume  0.15300E+00 ppm1      0.715 ppm2      4.222
 OR { 2629}
     (segid "    " and resid "15  " and name "HG11")
     (segid "    " and resid "29  " and name "HA  ")
 OR { 2629}
     (segid "    " and resid "15  " and name "HG12")
     (segid "    " and resid "29  " and name "HA  ")
 ASSI { 2469}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "4   " and name "HB1 ")
      3.300     3.300     0.000 peak  2469 weight  0.10000E+01 volume  0.27440E+01 ppm1      1.050 ppm2      2.810
 OR { 2469}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "4   " and name "HB1 ")
 OR { 2469}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "4   " and name "HB1 ")
 ASSI { 2472}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "4   " and name "HB2 ")
      5.000     5.000     0.000 peak  2472 weight  0.10000E+01 volume  0.10720E+01 ppm1      1.050 ppm2      3.089
 OR { 2472}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "4   " and name "HB2 ")
 OR { 2472}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "4   " and name "HB2 ")
 ASSI { 4825}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "61  " and name "HD23")
      6.000     6.000     0.000 peak  4825 weight  0.10000E+01 volume  0.15100E+00 ppm1      0.549 ppm2     -0.093
 OR { 4825}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "61  " and name "HD22")
 OR { 4825}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "61  " and name "HD22")
 OR { 4825}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "61  " and name "HD21")
 OR { 4825}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "61  " and name "HD22")
 OR { 4825}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "61  " and name "HD21")
 OR { 4825}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "61  " and name "HD23")
 OR { 4825}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "61  " and name "HD23")
 OR { 4825}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "61  " and name "HD21")
 ASSI { 4811}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "56  " and name "HA  ")
      2.700     2.700     0.000 peak  4811 weight  0.10000E+01 volume  0.40210E+01 ppm1      0.552 ppm2      4.097
 OR { 4811}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 4811}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "56  " and name "HA  ")
 ASSI { 4833}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "22  " and name "HA  ")
      6.000     6.000     0.000 peak  4833 weight  0.10000E+01 volume  0.19400E+00 ppm1      0.554 ppm2      4.897
 OR { 4833}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "22  " and name "HA  ")
 OR { 4833}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "22  " and name "HA  ")
 OR { 4833}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "21  " and name "HA  ")
 OR { 4833}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "21  " and name "HA  ")
 OR { 4833}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "21  " and name "HA  ")
 ASSI { 4818}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "50  " and name "HD22")
      5.000     5.000     0.000 peak  4818 weight  0.10000E+01 volume  0.40200E+00 ppm1      0.551 ppm2      0.038
 OR { 4818}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "50  " and name "HD22")
 OR { 4818}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "50  " and name "HD22")
 OR { 4818}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "50  " and name "HD21")
 OR { 4818}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "50  " and name "HD21")
 OR { 4818}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "50  " and name "HD21")
 OR { 4818}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "50  " and name "HD23")
 OR { 4818}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "50  " and name "HD23")
 OR { 4818}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "50  " and name "HD23")
 ASSI { 4827}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "23  " and name "HB  ")
      6.000     6.000     0.000 peak  4827 weight  0.10000E+01 volume  0.22600E+00 ppm1      0.551 ppm2      2.197
 OR { 4827}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "23  " and name "HB  ")
 OR { 4827}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "23  " and name "HB  ")
 OR { 4827}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 4827}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 4827}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 4827}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "18  " and name "HB1 ")
 OR { 4827}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "18  " and name "HB1 ")
 OR { 4827}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "18  " and name "HB1 ")
 OR { 4827}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "19  " and name "HG1 ")
 OR { 4827}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "19  " and name "HG1 ")
 OR { 4827}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "19  " and name "HG1 ")
 ASSI { 4815}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "23  " and name "HA  ")
      3.300     3.300     0.000 peak  4815 weight  0.10000E+01 volume  0.17410E+01 ppm1      0.551 ppm2      3.387
 OR { 4815}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 4815}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "23  " and name "HA  ")
 ASSI { 4824}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "26  " and name "HN  ")
      6.000     6.000     0.000 peak  4824 weight  0.10000E+01 volume  0.18900E+00 ppm1      0.551 ppm2      7.736
 OR { 4824}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "26  " and name "HN  ")
 OR { 4824}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "26  " and name "HN  ")
 ASSI { 4826}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "23  " and name "HN  ")
      6.000     6.000     0.000 peak  4826 weight  0.10000E+01 volume  0.18900E+00 ppm1      0.552 ppm2      8.376
 OR { 4826}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "23  " and name "HN  ")
 OR { 4826}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "23  " and name "HN  ")
 ASSI { 4822}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "59  " and name "HD2 ")
      5.000     5.000     0.000 peak  4822 weight  0.10000E+01 volume  0.33300E+00 ppm1      0.553 ppm2      7.211
 OR { 4822}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 4822}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 4822}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 4822}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 4822}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "59  " and name "HD1 ")
 ASSI { 4830}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "55  " and name "HA  ")
      6.000     6.000     0.000 peak  4830 weight  0.10000E+01 volume  0.16500E+00 ppm1      0.551 ppm2      4.965
 OR { 4830}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "55  " and name "HA  ")
 OR { 4830}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "55  " and name "HA  ")
 ASSI { 4832}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "59  " and name "HB2 ")
      6.000     6.000     0.000 peak  4832 weight  0.10000E+01 volume  0.11800E+00 ppm1      0.549 ppm2      2.566
 OR { 4832}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 4832}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 4832}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "1   " and name "HG1 ")
 OR { 4832}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "1   " and name "HG1 ")
 OR { 4832}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "1   " and name "HG1 ")
 ASSI { 4817}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "56  " and name "HN  ")
      5.000     5.000     0.000 peak  4817 weight  0.10000E+01 volume  0.97900E+00 ppm1      0.553 ppm2      8.673
 OR { 4817}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "56  " and name "HN  ")
 OR { 4817}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "56  " and name "HN  ")
 ASSI { 4819}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "26  " and name "HB1 ")
      5.000     5.000     0.000 peak  4819 weight  0.10000E+01 volume  0.81300E+00 ppm1      0.552 ppm2      2.364
 OR { 4819}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 4819}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 4819}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 4819}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 4819}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 4819}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 4819}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 4819}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "54  " and name "HB1 ")
 ASSI { 4581}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "59  " and name "HA  ")
      6.000     6.000     0.000 peak  4581 weight  0.10000E+01 volume  0.64000E-01 ppm1      0.038 ppm2      4.525
 OR { 4581}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "59  " and name "HA  ")
 OR { 4581}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "59  " and name "HA  ")
 OR { 4581}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "51  " and name "HA  ")
 OR { 4581}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "51  " and name "HA  ")
 OR { 4581}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "51  " and name "HA  ")
 ASSI { 4829}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "59  " and name "HE2 ")
      6.000     6.000     0.000 peak  4829 weight  0.10000E+01 volume  0.10400E+00 ppm1      0.556 ppm2      6.837
 OR { 4829}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 4829}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 4829}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 4829}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 4829}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 4829}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "61  " and name "HN  ")
 OR { 4829}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "61  " and name "HN  ")
 OR { 4829}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "61  " and name "HN  ")
 ASSI { 4835}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "58  " and name "HN  ")
      6.000     6.000     0.000 peak  4835 weight  0.10000E+01 volume  0.60000E-01 ppm1      0.550 ppm2      7.842
 OR { 4835}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "58  " and name "HN  ")
 OR { 4835}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "58  " and name "HN  ")
 OR { 4835}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "21  " and name "HN  ")
 OR { 4835}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "21  " and name "HN  ")
 OR { 4835}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "21  " and name "HN  ")
 ASSI { 4834}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "21  " and name "HB1 ")
      6.000     6.000     0.000 peak  4834 weight  0.10000E+01 volume  0.11200E+00 ppm1      0.553 ppm2      2.723
 OR { 4834}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 4834}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 4834}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 4834}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 4834}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 4831}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "21  " and name "HB2 ")
      6.000     6.000     0.000 peak  4831 weight  0.10000E+01 volume  0.14100E+00 ppm1      0.554 ppm2      3.086
 OR { 4831}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "21  " and name "HB2 ")
 OR { 4831}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "21  " and name "HB2 ")
 ASSI { 3034}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "25  " and name "HD22")
      6.000     6.000     0.000 peak  3034 weight  0.10000E+01 volume  0.12200E+00 ppm1      1.241 ppm2      6.897
 OR { 3034}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "25  " and name "HD22")
 OR { 3034}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "25  " and name "HD22")
 OR { 3034}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 3034}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "25  " and name "HD22")
 OR { 3034}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 3034}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 3034}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 3034}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "25  " and name "HD22")
 OR { 3034}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "25  " and name "HD22")
 OR { 3034}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 3034}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "59  " and name "HE1 ")
 ASSI { 3027}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "25  " and name "HB2 ")
      6.000     6.000     0.000 peak  3027 weight  0.10000E+01 volume  0.24300E+00 ppm1      1.242 ppm2      3.145
 OR { 3027}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 3027}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "54  " and name "HD2 ")
 OR { 3027}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 3027}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "54  " and name "HD1 ")
 OR { 3027}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "54  " and name "HD1 ")
 OR { 3027}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "54  " and name "HD2 ")
 OR { 3027}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "54  " and name "HD2 ")
 OR { 3027}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "54  " and name "HD1 ")
 OR { 3027}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "54  " and name "HD2 ")
 OR { 3027}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "54  " and name "HD1 ")
 OR { 3027}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "54  " and name "HD2 ")
 OR { 3027}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "54  " and name "HD2 ")
 OR { 3027}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "54  " and name "HD1 ")
 OR { 3027}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "54  " and name "HD1 ")
 OR { 3027}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 3027}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 3027}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "25  " and name "HB2 ")
 ASSI { 3024}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "23  " and name "HN  ")
      5.000     5.000     0.000 peak  3024 weight  0.10000E+01 volume  0.91200E+00 ppm1      1.241 ppm2      8.386
 OR { 3024}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "23  " and name "HN  ")
 OR { 3024}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "23  " and name "HN  ")
 OR { 3024}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "23  " and name "HN  ")
 OR { 3024}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "23  " and name "HN  ")
 ASSI { 4568}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "50  " and name "HN  ")
      5.000     5.000     0.000 peak  4568 weight  0.10000E+01 volume  0.60500E+00 ppm1      0.037 ppm2      8.618
 OR { 4568}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "50  " and name "HN  ")
 OR { 4568}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "50  " and name "HN  ")
 ASSI { 4571}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "59  " and name "HB2 ")
      5.000     5.000     0.000 peak  4571 weight  0.10000E+01 volume  0.42700E+00 ppm1      0.036 ppm2      2.569
 OR { 4571}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 4571}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "59  " and name "HB2 ")
 ASSI { 4582}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "54  " and name "HB2 ")
      6.000     6.000     0.000 peak  4582 weight  0.10000E+01 volume  0.15500E+00 ppm1      0.039 ppm2      2.289
 OR { 4582}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 4582}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 4582}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "51  " and name "HG2 ")
 OR { 4582}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 4582}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 4582}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "49  " and name "HG1 ")
 OR { 4582}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 4582}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 4582}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "51  " and name "HG2 ")
 OR { 4582}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "49  " and name "HG1 ")
 OR { 4582}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 4582}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "51  " and name "HG2 ")
 OR { 4582}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 4582}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "49  " and name "HG1 ")
 ASSI { 4573}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "43  " and name "HB2 ")
      5.000     5.000     0.000 peak  4573 weight  0.10000E+01 volume  0.42500E+00 ppm1      0.036 ppm2      1.701
 OR { 4573}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "43  " and name "HB2 ")
 OR { 4573}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "43  " and name "HB2 ")
 OR { 4573}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "67  " and name "HB  ")
 OR { 4573}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "67  " and name "HB  ")
 OR { 4573}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "67  " and name "HB  ")
 ASSI { 1961}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "24  " and name "HN  ")
      6.000     6.000     0.000 peak  1961 weight  0.10000E+01 volume  0.27000E+00 ppm1      1.245 ppm2     10.181
 OR { 1961}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "24  " and name "HN  ")
 OR { 1961}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "24  " and name "HN  ")
 ASSI { 4560}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "45  " and name "HB2 ")
      3.300     3.300     0.000 peak  4560 weight  0.10000E+01 volume  0.15250E+01 ppm1      0.038 ppm2      2.763
 OR { 4560}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 4560}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 3030}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "21  " and name "HB1 ")
      6.000     6.000     0.000 peak  3030 weight  0.10000E+01 volume  0.16100E+00 ppm1      1.242 ppm2      2.724
 OR { 3030}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 3030}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 3030}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 3030}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "21  " and name "HB1 ")
 ASSI { 4566}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "45  " and name "HB1 ")
      5.000     5.000     0.000 peak  4566 weight  0.10000E+01 volume  0.90500E+00 ppm1      0.037 ppm2      2.927
 OR { 4566}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 4566}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "45  " and name "HB1 ")
 ASSI { 4570}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "59  " and name "HB1 ")
      5.000     5.000     0.000 peak  4570 weight  0.10000E+01 volume  0.49600E+00 ppm1      0.038 ppm2      3.431
 OR { 4570}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "59  " and name "HB1 ")
 OR { 4570}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "59  " and name "HB1 ")
 OR { 4570}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 4570}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 4570}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "23  " and name "HA  ")
 ASSI { 4576}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "45  " and name "HD2 ")
      5.000     5.000     0.000 peak  4576 weight  0.10000E+01 volume  0.44200E+00 ppm1      0.039 ppm2      7.395
 OR { 4576}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 4576}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 4576}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 4576}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 4576}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "45  " and name "HD2 ")
 ASSI { 3022}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "22  " and name "HN  ")
      3.300     3.300     0.000 peak  3022 weight  0.10000E+01 volume  0.24990E+01 ppm1      1.240 ppm2      8.238
 OR { 3022}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "22  " and name "HN  ")
 OR { 3022}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "22  " and name "HN  ")
 ASSI { 4572}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "45  " and name "HN  ")
      6.000     6.000     0.000 peak  4572 weight  0.10000E+01 volume  0.24700E+00 ppm1      0.038 ppm2      9.154
 OR { 4572}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "45  " and name "HN  ")
 OR { 4572}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "45  " and name "HN  ")
 ASSI { 8219}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "48  " and name "HD2 ")
      6.000     6.000     0.000 peak  8219 weight  0.10000E+01 volume  0.26600E+00 ppm1      0.039 ppm2      1.888
 OR { 8219}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "48  " and name "HD2 ")
 OR { 8219}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "48  " and name "HD2 ")
 OR { 8219}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "48  " and name "HD1 ")
 OR { 8219}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "48  " and name "HD1 ")
 OR { 8219}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "48  " and name "HD1 ")
 OR { 8219}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "51  " and name "HB2 ")
 OR { 8219}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "51  " and name "HB2 ")
 OR { 8219}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "51  " and name "HB2 ")
 ASSI { 8228}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "59  " and name "HN  ")
      6.000     6.000     0.000 peak  8228 weight  0.10000E+01 volume  0.22800E+00 ppm1      0.037 ppm2      7.485
 OR { 8228}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "59  " and name "HN  ")
 OR { 8228}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "59  " and name "HN  ")
 OR { 8228}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "54  " and name "HN  ")
 OR { 8228}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "54  " and name "HN  ")
 OR { 8228}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "45  " and name "HZ  ")
 OR { 8228}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "45  " and name "HZ  ")
 OR { 8228}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "45  " and name "HZ  ")
 OR { 8228}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "54  " and name "HN  ")
 ASSI { 4574}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "48  " and name "HB1 ")
      5.000     5.000     0.000 peak  4574 weight  0.10000E+01 volume  0.45500E+00 ppm1      0.037 ppm2      1.965
 OR { 4574}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "48  " and name "HB1 ")
 OR { 4574}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "48  " and name "HB1 ")
 OR { 4574}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "48  " and name "HB2 ")
 OR { 4574}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "48  " and name "HB2 ")
 OR { 4574}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "48  " and name "HB2 ")
 OR { 4574}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "49  " and name "HB1 ")
 OR { 4574}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "49  " and name "HB1 ")
 OR { 4574}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "54  " and name "HG1 ")
 OR { 4574}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "49  " and name "HB1 ")
 OR { 4574}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "54  " and name "HG1 ")
 OR { 4574}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "54  " and name "HG1 ")
 ASSI { 4580}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "56  " and name "HA  ")
      6.000     6.000     0.000 peak  4580 weight  0.10000E+01 volume  0.15300E+00 ppm1      0.033 ppm2      4.086
 OR { 4580}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 4580}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 4580}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "47  " and name "HA1 ")
 OR { 4580}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "47  " and name "HA1 ")
 OR { 4580}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "47  " and name "HA1 ")
 ASSI { 4577}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "49  " and name "HA  ")
      6.000     6.000     0.000 peak  4577 weight  0.10000E+01 volume  0.14400E+00 ppm1      0.037 ppm2      4.818
 OR { 4577}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "49  " and name "HA  ")
 OR { 4577}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 3033}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "25  " and name "HN  ")
      6.000     6.000     0.000 peak  3033 weight  0.10000E+01 volume  0.12600E+00 ppm1      1.246 ppm2      7.949
 OR { 3033}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "25  " and name "HN  ")
 OR { 3033}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "25  " and name "HN  ")
 ASSI { 4569}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "51  " and name "HN  ")
      5.000     5.000     0.000 peak  4569 weight  0.10000E+01 volume  0.39500E+00 ppm1      0.037 ppm2      8.208
 OR { 4569}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "51  " and name "HN  ")
 OR { 4569}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "51  " and name "HN  ")
 ASSI { 3035}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "25  " and name "HB1 ")
      6.000     6.000     0.000 peak  3035 weight  0.10000E+01 volume  0.12500E+00 ppm1      1.238 ppm2      2.837
 OR { 3035}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 3035}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 3035}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 3035}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 3035}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "25  " and name "HB1 ")
 ASSI { 4583}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "49  " and name "HG2 ")
      6.000     6.000     0.000 peak  4583 weight  0.10000E+01 volume  0.13400E+00 ppm1      0.034 ppm2      2.234
 OR { 4583}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 4583}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "49  " and name "HG1 ")
 OR { 4583}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "23  " and name "HB  ")
 OR { 4583}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 4583}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "49  " and name "HG1 ")
 OR { 4583}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "23  " and name "HB  ")
 OR { 4583}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "49  " and name "HG1 ")
 OR { 4583}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "23  " and name "HB  ")
 OR { 4583}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "58  " and name "HB1 ")
 OR { 4583}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "58  " and name "HB1 ")
 OR { 4583}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "58  " and name "HB1 ")
 ASSI { 4747}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "54  " and name "HN  ")
      6.000     6.000     0.000 peak  4747 weight  0.10000E+01 volume  0.64000E-01 ppm1      1.206 ppm2      7.495
 OR { 4747}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "54  " and name "HN  ")
 OR { 4747}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "54  " and name "HN  ")
 OR { 4747}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "54  " and name "HN  ")
 OR { 4747}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "54  " and name "HN  ")
 OR { 4747}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "54  " and name "HN  ")
 OR { 4747}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "59  " and name "HN  ")
 OR { 4747}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "59  " and name "HN  ")
 OR { 4747}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "59  " and name "HN  ")
 OR { 4747}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "59  " and name "HN  ")
 OR { 4747}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "59  " and name "HN  ")
 OR { 4747}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "59  " and name "HN  ")
 ASSI { 4728}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "20  " and name "HA  ")
      5.000     5.000     0.000 peak  4728 weight  0.10000E+01 volume  0.13900E+01 ppm1      1.199 ppm2      4.411
 OR { 4728}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "20  " and name "HA  ")
 OR { 4728}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "20  " and name "HA  ")
 ASSI { 4733}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "58  " and name "HN  ")
      6.000     6.000     0.000 peak  4733 weight  0.10000E+01 volume  0.25400E+00 ppm1      1.200 ppm2      7.848
 OR { 4733}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "58  " and name "HN  ")
 OR { 4733}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "58  " and name "HN  ")
 OR { 4733}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "21  " and name "HN  ")
 OR { 4733}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "21  " and name "HN  ")
 OR { 4733}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "21  " and name "HN  ")
 OR { 4733}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "21  " and name "HN  ")
 OR { 4733}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "21  " and name "HN  ")
 OR { 4733}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "21  " and name "HN  ")
 OR { 4733}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "58  " and name "HN  ")
 OR { 4733}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "58  " and name "HN  ")
 OR { 4733}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "58  " and name "HN  ")
 ASSI { 4729}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "57  " and name "HB1 ")
      6.000     6.000     0.000 peak  4729 weight  0.10000E+01 volume  0.29400E+00 ppm1      1.198 ppm2      3.781
 OR { 4729}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "57  " and name "HB1 ")
 OR { 4729}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "57  " and name "HB1 ")
 OR { 4729}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "20  " and name "HB1 ")
 OR { 4729}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "20  " and name "HB1 ")
 OR { 4729}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "20  " and name "HB1 ")
 ASSI { 4732}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "20  " and name "HB2 ")
      5.000     5.000     0.000 peak  4732 weight  0.10000E+01 volume  0.37100E+00 ppm1      1.200 ppm2      4.127
 OR { 4732}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "20  " and name "HB2 ")
 OR { 4732}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "20  " and name "HB2 ")
 OR { 4732}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "20  " and name "HB2 ")
 OR { 4732}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "20  " and name "HB2 ")
 OR { 4732}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "20  " and name "HB2 ")
 OR { 4732}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "19  " and name "HA  ")
 OR { 4732}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 4732}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 4732}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 4732}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 4732}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "19  " and name "HA  ")
 OR { 4732}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 4732}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 4732}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "19  " and name "HA  ")
 OR { 4732}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "19  " and name "HA  ")
 OR { 4732}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "19  " and name "HA  ")
 OR { 4732}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "19  " and name "HA  ")
 ASSI { 4726}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "55  " and name "HN  ")
      2.700     2.700     0.000 peak  4726 weight  0.10000E+01 volume  0.30760E+01 ppm1      1.199 ppm2      8.702
 OR { 4726}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "55  " and name "HN  ")
 OR { 4726}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "55  " and name "HN  ")
 OR { 4726}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "56  " and name "HN  ")
 OR { 4726}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "56  " and name "HN  ")
 OR { 4726}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "56  " and name "HN  ")
 ASSI { 1974}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "20  " and name "HN  ")
      6.000     6.000     0.000 peak  1974 weight  0.10000E+01 volume  0.86000E-01 ppm1      1.198 ppm2      7.076
 OR { 1974}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "20  " and name "HN  ")
 OR { 1974}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "20  " and name "HN  ")
 ASSI { 4723}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "55  " and name "HB  ")
      2.700     2.700     0.000 peak  4723 weight  0.10000E+01 volume  0.33690E+01 ppm1      1.199 ppm2      4.592
 OR { 4723}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "55  " and name "HB  ")
 OR { 4723}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "55  " and name "HB  ")
 ASSI { 4743}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "58  " and name "HB2 ")
      6.000     6.000     0.000 peak  4743 weight  0.10000E+01 volume  0.85000E-01 ppm1      1.198 ppm2      2.937
 OR { 4743}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "58  " and name "HB2 ")
 OR { 4743}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "58  " and name "HB2 ")
 ASSI { 8872}
     (segid "    " and resid "73  " and name "HD23")
     (segid "    " and resid "72  " and name "HA  ")
      6.000     6.000     0.000 peak  8872 weight  0.10000E+01 volume  0.88000E-01 ppm1      0.873 ppm2      4.225
 OR { 8872}
     (segid "    " and resid "73  " and name "HD22")
     (segid "    " and resid "72  " and name "HA  ")
 OR { 8872}
     (segid "    " and resid "73  " and name "HD21")
     (segid "    " and resid "72  " and name "HA  ")
 ASSI { 8876}
     (segid "    " and resid "73  " and name "HD23")
     (segid "    " and resid "73  " and name "HN  ")
      6.000     6.000     0.000 peak  8876 weight  0.10000E+01 volume  0.17900E+00 ppm1      0.869 ppm2      8.356
 OR { 8876}
     (segid "    " and resid "73  " and name "HD22")
     (segid "    " and resid "73  " and name "HN  ")
 OR { 8876}
     (segid "    " and resid "73  " and name "HD21")
     (segid "    " and resid "73  " and name "HN  ")
 ASSI { 8877}
     (segid "    " and resid "73  " and name "HD22")
     (segid "    " and resid "74  " and name "HN  ")
      6.000     6.000     0.000 peak  8877 weight  0.10000E+01 volume  0.18400E+00 ppm1      0.869 ppm2      8.411
 OR { 8877}
     (segid "    " and resid "73  " and name "HD21")
     (segid "    " and resid "74  " and name "HN  ")
 OR { 8877}
     (segid "    " and resid "73  " and name "HD23")
     (segid "    " and resid "74  " and name "HN  ")
 ASSI { 3281}
     (segid "    " and resid "26  " and name "HD13")
     (segid "    " and resid "27  " and name "HA  ")
      6.000     6.000     0.000 peak  3281 weight  0.10000E+01 volume  0.93000E-01 ppm1      0.756 ppm2      4.595
 OR { 3281}
     (segid "    " and resid "26  " and name "HD11")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 3281}
     (segid "    " and resid "26  " and name "HD12")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 3281}
     (segid "    " and resid "26  " and name "HD11")
     (segid "    " and resid "15  " and name "HA  ")
 OR { 3281}
     (segid "    " and resid "26  " and name "HD13")
     (segid "    " and resid "15  " and name "HA  ")
 OR { 3281}
     (segid "    " and resid "26  " and name "HD12")
     (segid "    " and resid "15  " and name "HA  ")
 OR { 3281}
     (segid "    " and resid "26  " and name "HD11")
     (segid "    " and resid "25  " and name "HA  ")
 OR { 3281}
     (segid "    " and resid "26  " and name "HD13")
     (segid "    " and resid "25  " and name "HA  ")
 OR { 3281}
     (segid "    " and resid "26  " and name "HD12")
     (segid "    " and resid "25  " and name "HA  ")
 ASSI { 3266}
     (segid "    " and resid "26  " and name "HD11")
     (segid "    " and resid "29  " and name "HB2 ")
      5.000     5.000     0.000 peak  3266 weight  0.10000E+01 volume  0.61200E+00 ppm1      0.754 ppm2      2.148
 OR { 3266}
     (segid "    " and resid "26  " and name "HD13")
     (segid "    " and resid "29  " and name "HB2 ")
 OR { 3266}
     (segid "    " and resid "26  " and name "HD12")
     (segid "    " and resid "29  " and name "HB2 ")
 ASSI { 3280}
     (segid "    " and resid "26  " and name "HD11")
     (segid "    " and resid "29  " and name "HN  ")
      6.000     6.000     0.000 peak  3280 weight  0.10000E+01 volume  0.11800E+00 ppm1      0.755 ppm2      7.862
 OR { 3280}
     (segid "    " and resid "26  " and name "HD13")
     (segid "    " and resid "29  " and name "HN  ")
 OR { 3280}
     (segid "    " and resid "26  " and name "HD12")
     (segid "    " and resid "29  " and name "HN  ")
 ASSI { 3279}
     (segid "    " and resid "26  " and name "HD11")
     (segid "    " and resid "27  " and name "HN  ")
      6.000     6.000     0.000 peak  3279 weight  0.10000E+01 volume  0.13800E+00 ppm1      0.752 ppm2      8.552
 OR { 3279}
     (segid "    " and resid "26  " and name "HD12")
     (segid "    " and resid "27  " and name "HN  ")
 OR { 3279}
     (segid "    " and resid "26  " and name "HD13")
     (segid "    " and resid "27  " and name "HN  ")
 ASSI { 3278}
     (segid "    " and resid "26  " and name "HD13")
     (segid "    " and resid "30  " and name "HA  ")
      6.000     6.000     0.000 peak  3278 weight  0.10000E+01 volume  0.17700E+00 ppm1      0.754 ppm2      3.406
 OR { 3278}
     (segid "    " and resid "26  " and name "HD11")
     (segid "    " and resid "30  " and name "HA  ")
 OR { 3278}
     (segid "    " and resid "26  " and name "HD12")
     (segid "    " and resid "30  " and name "HA  ")
 OR { 3278}
     (segid "    " and resid "26  " and name "HD12")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 3278}
     (segid "    " and resid "26  " and name "HD13")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 3278}
     (segid "    " and resid "26  " and name "HD11")
     (segid "    " and resid "23  " and name "HA  ")
 ASSI { 3271}
     (segid "    " and resid "26  " and name "HD11")
     (segid "    " and resid "30  " and name "HN  ")
      5.000     5.000     0.000 peak  3271 weight  0.10000E+01 volume  0.30100E+00 ppm1      0.758 ppm2      8.106
 OR { 3271}
     (segid "    " and resid "26  " and name "HD12")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 3271}
     (segid "    " and resid "26  " and name "HD13")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 3271}
     (segid "    " and resid "26  " and name "HD11")
     (segid "    " and resid "28  " and name "HN  ")
 OR { 3271}
     (segid "    " and resid "26  " and name "HD12")
     (segid "    " and resid "28  " and name "HN  ")
 OR { 3271}
     (segid "    " and resid "26  " and name "HD13")
     (segid "    " and resid "28  " and name "HN  ")
 OR { 3271}
     (segid "    " and resid "26  " and name "HD13")
     (segid "    " and resid "16  " and name "HN  ")
 OR { 3271}
     (segid "    " and resid "26  " and name "HD12")
     (segid "    " and resid "16  " and name "HN  ")
 OR { 3271}
     (segid "    " and resid "26  " and name "HD11")
     (segid "    " and resid "16  " and name "HN  ")
 ASSI { 3267}
     (segid "    " and resid "26  " and name "HD13")
     (segid "    " and resid "26  " and name "HN  ")
      5.000     5.000     0.000 peak  3267 weight  0.10000E+01 volume  0.33600E+00 ppm1      0.755 ppm2      7.737
 OR { 3267}
     (segid "    " and resid "26  " and name "HD11")
     (segid "    " and resid "26  " and name "HN  ")
 OR { 3267}
     (segid "    " and resid "26  " and name "HD12")
     (segid "    " and resid "26  " and name "HN  ")
 ASSI { 5067}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "45  " and name "HB2 ")
      5.000     5.000     0.000 peak  5067 weight  0.10000E+01 volume  0.34800E+00 ppm1     -0.085 ppm2      2.763
 OR { 5067}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 5067}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 5075}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "62  " and name "HG1 ")
      6.000     6.000     0.000 peak  5075 weight  0.10000E+01 volume  0.59000E-01 ppm1     -0.084 ppm2      2.355
 OR { 5075}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "62  " and name "HG1 ")
 OR { 5075}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "62  " and name "HG2 ")
 OR { 5075}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "62  " and name "HG1 ")
 OR { 5075}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "62  " and name "HG2 ")
 OR { 5075}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "62  " and name "HG2 ")
 OR { 5075}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "19  " and name "HB1 ")
 OR { 5075}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "19  " and name "HB1 ")
 OR { 5075}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "19  " and name "HB1 ")
 OR { 5075}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "64  " and name "HB2 ")
 OR { 5075}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 5075}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 5075}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 5075}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "64  " and name "HB2 ")
 OR { 5075}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "64  " and name "HB2 ")
 ASSI { 5063}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "45  " and name "HB1 ")
      5.000     5.000     0.000 peak  5063 weight  0.10000E+01 volume  0.46500E+00 ppm1     -0.086 ppm2      2.928
 OR { 5063}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 5063}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "45  " and name "HB1 ")
 ASSI { 5073}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "56  " and name "HA  ")
      6.000     6.000     0.000 peak  5073 weight  0.10000E+01 volume  0.14200E+00 ppm1     -0.087 ppm2      4.088
 OR { 5073}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 5073}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 5073}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "63  " and name "HA  ")
 OR { 5073}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "63  " and name "HA  ")
 OR { 5073}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "19  " and name "HA  ")
 OR { 5073}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "63  " and name "HA  ")
 OR { 5073}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "19  " and name "HA  ")
 OR { 5073}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "19  " and name "HA  ")
 OR { 5073}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "66  " and name "HB  ")
 OR { 5073}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "66  " and name "HB  ")
 OR { 5073}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "66  " and name "HB  ")
 ASSI { 5064}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "59  " and name "HB1 ")
      6.000     6.000     0.000 peak  5064 weight  0.10000E+01 volume  0.24400E+00 ppm1     -0.086 ppm2      3.436
 OR { 5064}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "59  " and name "HB1 ")
 OR { 5064}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "59  " and name "HB1 ")
 ASSI { 5074}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "65  " and name "HN  ")
      6.000     6.000     0.000 peak  5074 weight  0.10000E+01 volume  0.61000E-01 ppm1     -0.085 ppm2      7.918
 OR { 5074}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "65  " and name "HN  ")
 OR { 5074}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "65  " and name "HN  ")
 ASSI { 5072}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "59  " and name "HD1 ")
      6.000     6.000     0.000 peak  5072 weight  0.10000E+01 volume  0.13500E+00 ppm1     -0.086 ppm2      7.236
 OR { 5072}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 5072}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 5072}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "62  " and name "HE21")
 OR { 5072}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 5072}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 5072}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 5072}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "62  " and name "HE21")
 OR { 5072}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "62  " and name "HE21")
 ASSI { 5070}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "65  " and name "HA  ")
      6.000     6.000     0.000 peak  5070 weight  0.10000E+01 volume  0.18300E+00 ppm1     -0.087 ppm2      4.593
 OR { 5070}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "65  " and name "HA  ")
 OR { 5070}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "65  " and name "HA  ")
 OR { 5070}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "62  " and name "HA  ")
 OR { 5070}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "62  " and name "HA  ")
 OR { 5070}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "62  " and name "HA  ")
 OR { 5070}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 5070}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 5070}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "67  " and name "HA  ")
 ASSI { 5062}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "61  " and name "HN  ")
      5.000     5.000     0.000 peak  5062 weight  0.10000E+01 volume  0.37600E+00 ppm1     -0.086 ppm2      6.815
 OR { 5062}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "61  " and name "HN  ")
 OR { 5062}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "61  " and name "HN  ")
 OR { 5062}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "60  " and name "HD22")
 OR { 5062}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "60  " and name "HD22")
 OR { 5062}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "60  " and name "HD22")
 ASSI { 5059}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "45  " and name "HZ  ")
      5.000     5.000     0.000 peak  5059 weight  0.10000E+01 volume  0.10670E+01 ppm1     -0.085 ppm2      7.426
 OR { 5059}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "45  " and name "HZ  ")
 OR { 5059}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 5059}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 5059}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "45  " and name "HZ  ")
 OR { 5059}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 5059}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 5059}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 5059}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "45  " and name "HD2 ")
 ASSI { 5068}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "1   " and name "HE1 ")
      5.000     5.000     0.000 peak  5068 weight  0.10000E+01 volume  0.34800E+00 ppm1     -0.087 ppm2      1.688
 OR { 5068}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 5068}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 5068}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 5068}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 5068}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 5068}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 5068}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 5068}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 5068}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "56  " and name "HG  ")
 OR { 5068}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "56  " and name "HG  ")
 OR { 5068}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "56  " and name "HG  ")
 ASSI { 5051}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "61  " and name "HA  ")
      2.700     2.700     0.000 peak  5051 weight  0.10000E+01 volume  0.34360E+01 ppm1     -0.087 ppm2      3.691
 OR { 5051}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "61  " and name "HA  ")
 OR { 5051}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "61  " and name "HA  ")
 OR { 5051}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "65  " and name "HB2 ")
 OR { 5051}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "65  " and name "HB2 ")
 OR { 5051}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "65  " and name "HB2 ")
 ASSI { 5056}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "65  " and name "HB1 ")
      5.000     5.000     0.000 peak  5056 weight  0.10000E+01 volume  0.11930E+01 ppm1     -0.085 ppm2      3.817
 OR { 5056}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "65  " and name "HB1 ")
 OR { 5056}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "65  " and name "HB1 ")
 ASSI { 5060}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "62  " and name "HN  ")
      5.000     5.000     0.000 peak  5060 weight  0.10000E+01 volume  0.64500E+00 ppm1     -0.084 ppm2      7.698
 OR { 5060}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "62  " and name "HN  ")
 OR { 5060}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "62  " and name "HN  ")
 ASSI { 5065}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "59  " and name "HB2 ")
      5.000     5.000     0.000 peak  5065 weight  0.10000E+01 volume  0.33600E+00 ppm1     -0.086 ppm2      2.570
 OR { 5065}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 5065}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "59  " and name "HB2 ")
 ASSI { 2339}
     (segid "    " and resid "8   " and name "HD23")
     (segid "    " and resid "68  " and name "HB1 ")
      6.000     6.000     0.000 peak  2339 weight  0.10000E+01 volume  0.67000E-01 ppm1      0.987 ppm2      3.069
 OR { 2339}
     (segid "    " and resid "8   " and name "HD21")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 2339}
     (segid "    " and resid "8   " and name "HD21")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 2339}
     (segid "    " and resid "8   " and name "HD23")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 2339}
     (segid "    " and resid "8   " and name "HD22")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 2339}
     (segid "    " and resid "8   " and name "HD22")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 2339}
     (segid "    " and resid "8   " and name "HD21")
     (segid "    " and resid "42  " and name "HD1 ")
 OR { 2339}
     (segid "    " and resid "8   " and name "HD23")
     (segid "    " and resid "42  " and name "HD1 ")
 OR { 2339}
     (segid "    " and resid "8   " and name "HD22")
     (segid "    " and resid "42  " and name "HD1 ")
 ASSI { 2336}
     (segid "    " and resid "8   " and name "HD22")
     (segid "    " and resid "8   " and name "HN  ")
      6.000     6.000     0.000 peak  2336 weight  0.10000E+01 volume  0.14000E+00 ppm1      0.987 ppm2      9.074
 OR { 2336}
     (segid "    " and resid "8   " and name "HD21")
     (segid "    " and resid "8   " and name "HN  ")
 OR { 2336}
     (segid "    " and resid "8   " and name "HD23")
     (segid "    " and resid "8   " and name "HN  ")
 ASSI { 2331}
     (segid "    " and resid "8   " and name "HD21")
     (segid "    " and resid "70  " and name "HA  ")
      5.000     5.000     0.000 peak  2331 weight  0.10000E+01 volume  0.59500E+00 ppm1      0.987 ppm2      4.415
 OR { 2331}
     (segid "    " and resid "8   " and name "HD22")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 2331}
     (segid "    " and resid "8   " and name "HD23")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 2331}
     (segid "    " and resid "8   " and name "HD22")
     (segid "    " and resid "9   " and name "HA  ")
 OR { 2331}
     (segid "    " and resid "8   " and name "HD23")
     (segid "    " and resid "9   " and name "HA  ")
 OR { 2331}
     (segid "    " and resid "8   " and name "HD21")
     (segid "    " and resid "9   " and name "HA  ")
 ASSI { 2334}
     (segid "    " and resid "8   " and name "HD21")
     (segid "    " and resid "71  " and name "HN  ")
      6.000     6.000     0.000 peak  2334 weight  0.10000E+01 volume  0.25700E+00 ppm1      0.986 ppm2      8.070
 OR { 2334}
     (segid "    " and resid "8   " and name "HD22")
     (segid "    " and resid "71  " and name "HN  ")
 OR { 2334}
     (segid "    " and resid "8   " and name "HD23")
     (segid "    " and resid "71  " and name "HN  ")
 ASSI { 2338}
     (segid "    " and resid "8   " and name "HD23")
     (segid "    " and resid "7   " and name "HA  ")
      6.000     6.000     0.000 peak  2338 weight  0.10000E+01 volume  0.16500E+00 ppm1      0.986 ppm2      4.867
 OR { 2338}
     (segid "    " and resid "8   " and name "HD21")
     (segid "    " and resid "7   " and name "HA  ")
 OR { 2338}
     (segid "    " and resid "8   " and name "HD22")
     (segid "    " and resid "7   " and name "HA  ")
 OR { 2338}
     (segid "    " and resid "8   " and name "HD22")
     (segid "    " and resid "71  " and name "HA  ")
 OR { 2338}
     (segid "    " and resid "8   " and name "HD21")
     (segid "    " and resid "71  " and name "HA  ")
 OR { 2338}
     (segid "    " and resid "8   " and name "HD23")
     (segid "    " and resid "71  " and name "HA  ")
 ASSI { 8769}
     (segid "    " and resid "71  " and name "HD23")
     (segid "    " and resid "70  " and name "HA  ")
      5.000     5.000     0.000 peak  8769 weight  0.10000E+01 volume  0.60200E+00 ppm1      0.880 ppm2      4.419
 OR { 8769}
     (segid "    " and resid "71  " and name "HD23")
     (segid "    " and resid "40  " and name "HA  ")
 OR { 8769}
     (segid "    " and resid "71  " and name "HD21")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 8769}
     (segid "    " and resid "71  " and name "HD21")
     (segid "    " and resid "40  " and name "HA  ")
 OR { 8769}
     (segid "    " and resid "71  " and name "HD22")
     (segid "    " and resid "40  " and name "HA  ")
 OR { 8769}
     (segid "    " and resid "71  " and name "HD22")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 8769}
     (segid "    " and resid "71  " and name "HD21")
     (segid "    " and resid "36  " and name "HA  ")
 OR { 8769}
     (segid "    " and resid "71  " and name "HD23")
     (segid "    " and resid "36  " and name "HA  ")
 OR { 8769}
     (segid "    " and resid "71  " and name "HD22")
     (segid "    " and resid "36  " and name "HA  ")
 ASSI { 2969}
     (segid "    " and resid "71  " and name "HD23")
     (segid "    " and resid "71  " and name "HN  ")
      5.000     5.000     0.000 peak  2969 weight  0.10000E+01 volume  0.32800E+00 ppm1      0.882 ppm2      8.074
 OR { 2969}
     (segid "    " and resid "71  " and name "HD21")
     (segid "    " and resid "71  " and name "HN  ")
 OR { 2969}
     (segid "    " and resid "71  " and name "HD22")
     (segid "    " and resid "71  " and name "HN  ")
 ASSI { 2984}
     (segid "    " and resid "71  " and name "HD21")
     (segid "    " and resid "72  " and name "HN  ")
      5.000     5.000     0.000 peak  2984 weight  0.10000E+01 volume  0.47900E+00 ppm1      0.882 ppm2      8.549
 OR { 2984}
     (segid "    " and resid "71  " and name "HD23")
     (segid "    " and resid "72  " and name "HN  ")
 OR { 2984}
     (segid "    " and resid "71  " and name "HD22")
     (segid "    " and resid "72  " and name "HN  ")
 ASSI { 4222}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "69  " and name "HA  ")
      3.300     3.300     0.000 peak  4222 weight  0.10000E+01 volume  0.28150E+01 ppm1      0.799 ppm2      5.094
 OR { 4222}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 4222}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "69  " and name "HA  ")
 ASSI { 4232}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "42  " and name "HA  ")
      6.000     6.000     0.000 peak  4232 weight  0.10000E+01 volume  0.43000E-01 ppm1      0.794 ppm2      4.457
 OR { 4232}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "42  " and name "HA  ")
 OR { 4232}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "42  " and name "HA  ")
 OR { 4232}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 4232}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 4232}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "70  " and name "HA  ")
 ASSI { 4223}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "44  " and name "HN  ")
      5.000     5.000     0.000 peak  4223 weight  0.10000E+01 volume  0.53400E+00 ppm1      0.803 ppm2      9.151
 OR { 4223}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "44  " and name "HN  ")
 OR { 4223}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "44  " and name "HN  ")
 ASSI { 4224}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "43  " and name "HN  ")
      6.000     6.000     0.000 peak  4224 weight  0.10000E+01 volume  0.27500E+00 ppm1      0.801 ppm2      8.975
 OR { 4224}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "43  " and name "HN  ")
 OR { 4224}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "43  " and name "HN  ")
 ASSI { 4231}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "69  " and name "HN  ")
      6.000     6.000     0.000 peak  4231 weight  0.10000E+01 volume  0.92000E-01 ppm1      0.799 ppm2      8.337
 OR { 4231}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "69  " and name "HN  ")
 OR { 4231}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "69  " and name "HN  ")
 ASSI { 4233}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "27  " and name "HE1 ")
      6.000     6.000     0.000 peak  4233 weight  0.10000E+01 volume  0.77000E-01 ppm1      0.795 ppm2      2.748
 OR { 4233}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "27  " and name "HE1 ")
 OR { 4233}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "27  " and name "HE1 ")
 OR { 4233}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 4233}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 4233}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 4229}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "42  " and name "HN  ")
      5.000     5.000     0.000 peak  4229 weight  0.10000E+01 volume  0.38700E+00 ppm1      0.802 ppm2      8.492
 OR { 4229}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "42  " and name "HN  ")
 OR { 4229}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "42  " and name "HN  ")
 OR { 4229}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "42  " and name "HN  ")
 ASSI { 5473}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "69  " and name "HN  ")
      6.000     6.000     0.000 peak  5473 weight  0.10000E+01 volume  0.20800E+00 ppm1      0.844 ppm2      8.336
 OR { 5473}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "69  " and name "HN  ")
 OR { 5473}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "69  " and name "HN  ")
 OR { 5473}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "69  " and name "HN  ")
 OR { 5473}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "69  " and name "HN  ")
 OR { 5473}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "69  " and name "HN  ")
 OR { 5473}
     (segid "    " and resid "71  " and name "HD23")
     (segid "    " and resid "73  " and name "HN  ")
 OR { 5473}
     (segid "    " and resid "71  " and name "HD23")
     (segid "    " and resid "69  " and name "HN  ")
 OR { 5473}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "73  " and name "HN  ")
 OR { 5473}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "73  " and name "HN  ")
 OR { 5473}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "73  " and name "HN  ")
 OR { 5473}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "73  " and name "HN  ")
 OR { 5473}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "73  " and name "HN  ")
 OR { 5473}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "73  " and name "HN  ")
 ASSI { 5470}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "41  " and name "HG1 ")
      5.000     5.000     0.000 peak  5470 weight  0.10000E+01 volume  0.82400E+00 ppm1      0.841 ppm2      2.515
 OR { 5470}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "41  " and name "HG1 ")
 OR { 5470}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "41  " and name "HG1 ")
 OR { 5470}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "41  " and name "HG1 ")
 OR { 5470}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "41  " and name "HG1 ")
 OR { 5470}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "41  " and name "HG1 ")
 OR { 5470}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "40  " and name "HB1 ")
 OR { 5470}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "40  " and name "HB1 ")
 OR { 5470}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "40  " and name "HB1 ")
 OR { 5470}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "40  " and name "HB1 ")
 OR { 5470}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "40  " and name "HB1 ")
 OR { 5470}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "40  " and name "HB1 ")
 ASSI { 5474}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "41  " and name "HN  ")
      6.000     6.000     0.000 peak  5474 weight  0.10000E+01 volume  0.76000E-01 ppm1      0.842 ppm2      7.367
 OR { 5474}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "41  " and name "HN  ")
 OR { 5474}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "41  " and name "HN  ")
 OR { 5474}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "41  " and name "HN  ")
 OR { 5474}
     (segid "    " and resid "13  " and name "HD12")
     (segid "    " and resid "33  " and name "HN  ")
 OR { 5474}
     (segid "    " and resid "13  " and name "HD11")
     (segid "    " and resid "33  " and name "HN  ")
 OR { 5474}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "41  " and name "HN  ")
 OR { 5474}
     (segid "    " and resid "13  " and name "HD13")
     (segid "    " and resid "33  " and name "HN  ")
 OR { 5474}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "41  " and name "HN  ")
 OR { 5474}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 5474}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 5474}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 5474}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 5474}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 5474}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 5474}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "33  " and name "HN  ")
 OR { 5474}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "33  " and name "HN  ")
 OR { 5474}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "33  " and name "HN  ")
 OR { 5474}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 5474}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 5474}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 5474}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 5474}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "33  " and name "HN  ")
 OR { 5474}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "33  " and name "HN  ")
 OR { 5474}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 5474}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 5474}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "33  " and name "HN  ")
 OR { 5474}
     (segid "    " and resid "13  " and name "HD12")
     (segid "    " and resid "41  " and name "HN  ")
 OR { 5474}
     (segid "    " and resid "13  " and name "HD13")
     (segid "    " and resid "41  " and name "HN  ")
 OR { 5474}
     (segid "    " and resid "13  " and name "HD11")
     (segid "    " and resid "41  " and name "HN  ")
 OR { 5474}
     (segid "    " and resid "13  " and name "HD12")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 5474}
     (segid "    " and resid "13  " and name "HD12")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 5474}
     (segid "    " and resid "13  " and name "HD13")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 5474}
     (segid "    " and resid "13  " and name "HD13")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 5474}
     (segid "    " and resid "13  " and name "HD11")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 5474}
     (segid "    " and resid "13  " and name "HD11")
     (segid "    " and resid "45  " and name "HD1 ")
 ASSI { 5467}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "41  " and name "HA  ")
      3.300     3.300     0.000 peak  5467 weight  0.10000E+01 volume  0.19610E+01 ppm1      0.843 ppm2      4.129
 OR { 5467}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 5467}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 5468}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "42  " and name "HN  ")
      5.000     5.000     0.000 peak  5468 weight  0.10000E+01 volume  0.12150E+01 ppm1      0.842 ppm2      8.473
 OR { 5468}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "42  " and name "HN  ")
 OR { 5468}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "42  " and name "HN  ")
 ASSI { 5465}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "69  " and name "HA  ")
      3.300     3.300     0.000 peak  5465 weight  0.10000E+01 volume  0.29640E+01 ppm1      0.838 ppm2      5.091
 OR { 5465}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 5465}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "69  " and name "HA  ")
 ASSI { 5476}
     (segid "    " and resid "13  " and name "HD13")
     (segid "    " and resid "15  " and name "HN  ")
      6.000     6.000     0.000 peak  5476 weight  0.10000E+01 volume  0.10200E+00 ppm1      0.845 ppm2      8.732
 OR { 5476}
     (segid "    " and resid "13  " and name "HD11")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 5476}
     (segid "    " and resid "13  " and name "HD12")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 5476}
     (segid "    " and resid "13  " and name "HD12")
     (segid "    " and resid "7   " and name "HN  ")
 OR { 5476}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "7   " and name "HN  ")
 OR { 5476}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "7   " and name "HN  ")
 OR { 5476}
     (segid "    " and resid "13  " and name "HD13")
     (segid "    " and resid "7   " and name "HN  ")
 OR { 5476}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "7   " and name "HN  ")
 OR { 5476}
     (segid "    " and resid "13  " and name "HD11")
     (segid "    " and resid "7   " and name "HN  ")
 OR { 5476}
     (segid "    " and resid "13  " and name "HD13")
     (segid "    " and resid "3   " and name "HN  ")
 OR { 5476}
     (segid "    " and resid "13  " and name "HD11")
     (segid "    " and resid "3   " and name "HN  ")
 OR { 5476}
     (segid "    " and resid "13  " and name "HD12")
     (segid "    " and resid "3   " and name "HN  ")
 OR { 5476}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 5476}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 5476}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 5476}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "3   " and name "HN  ")
 OR { 5476}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "3   " and name "HN  ")
 OR { 5476}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "3   " and name "HN  ")
 ASSI { 5466}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "70  " and name "HN  ")
      3.300     3.300     0.000 peak  5466 weight  0.10000E+01 volume  0.18070E+01 ppm1      0.843 ppm2      9.236
 OR { 5466}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "70  " and name "HN  ")
 OR { 5466}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "70  " and name "HN  ")
 ASSI { 3098}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "56  " and name "HN  ")
      6.000     6.000     0.000 peak  3098 weight  0.10000E+01 volume  0.16100E+00 ppm1      1.014 ppm2      8.610
 OR { 3098}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "56  " and name "HN  ")
 OR { 3098}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "56  " and name "HN  ")
 OR { 3098}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "50  " and name "HN  ")
 OR { 3098}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "50  " and name "HN  ")
 OR { 3098}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "50  " and name "HN  ")
 ASSI { 2539}
     (segid "    " and resid "13  " and name "HD13")
     (segid "    " and resid "14  " and name "HN  ")
      5.000     5.000     0.000 peak  2539 weight  0.10000E+01 volume  0.30500E+00 ppm1      0.802 ppm2      8.571
 OR { 2539}
     (segid "    " and resid "13  " and name "HD12")
     (segid "    " and resid "14  " and name "HN  ")
 OR { 2539}
     (segid "    " and resid "13  " and name "HD11")
     (segid "    " and resid "14  " and name "HN  ")
 OR { 2539}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "72  " and name "HN  ")
 OR { 2539}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "72  " and name "HN  ")
 OR { 2539}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "14  " and name "HN  ")
 OR { 2539}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "14  " and name "HN  ")
 OR { 2539}
     (segid "    " and resid "13  " and name "HD13")
     (segid "    " and resid "72  " and name "HN  ")
 OR { 2539}
     (segid "    " and resid "13  " and name "HD12")
     (segid "    " and resid "72  " and name "HN  ")
 OR { 2539}
     (segid "    " and resid "13  " and name "HD11")
     (segid "    " and resid "72  " and name "HN  ")
 ASSI { 3083}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "54  " and name "HE  ")
      5.000     5.000     0.000 peak  3083 weight  0.10000E+01 volume  0.55000E+00 ppm1      1.011 ppm2      7.210
 OR { 3083}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "54  " and name "HE  ")
 OR { 3083}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "54  " and name "HE  ")
 OR { 3083}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 3083}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 3083}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 3083}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 3083}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 3083}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "59  " and name "HD2 ")
 ASSI { 3079}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "50  " and name "HD23")
      5.000     5.000     0.000 peak  3079 weight  0.10000E+01 volume  0.70900E+00 ppm1      1.010 ppm2      0.036
 OR { 3079}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "50  " and name "HD21")
 OR { 3079}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "50  " and name "HD21")
 OR { 3079}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "50  " and name "HD21")
 OR { 3079}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "50  " and name "HD23")
 OR { 3079}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "50  " and name "HD23")
 OR { 3079}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "50  " and name "HD22")
 OR { 3079}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "50  " and name "HD22")
 OR { 3079}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "50  " and name "HD22")
 ASSI { 2540}
     (segid "    " and resid "13  " and name "HD13")
     (segid "    " and resid "11  " and name "HE1 ")
      5.000     5.000     0.000 peak  2540 weight  0.10000E+01 volume  0.41200E+00 ppm1      0.803 ppm2      2.921
 OR { 2540}
     (segid "    " and resid "13  " and name "HD11")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 2540}
     (segid "    " and resid "13  " and name "HD12")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 2540}
     (segid "    " and resid "13  " and name "HD11")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 2540}
     (segid "    " and resid "13  " and name "HD13")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 2540}
     (segid "    " and resid "13  " and name "HD12")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 2540}
     (segid "    " and resid "13  " and name "HD11")
     (segid "    " and resid "32  " and name "HB1 ")
 OR { 2540}
     (segid "    " and resid "13  " and name "HD13")
     (segid "    " and resid "32  " and name "HB1 ")
 OR { 2540}
     (segid "    " and resid "13  " and name "HD12")
     (segid "    " and resid "32  " and name "HB1 ")
 ASSI { 3099}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "54  " and name "HD1 ")
      6.000     6.000     0.000 peak  3099 weight  0.10000E+01 volume  0.68000E-01 ppm1      1.012 ppm2      3.181
 OR { 3099}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "54  " and name "HD1 ")
 OR { 3099}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "54  " and name "HD2 ")
 OR { 3099}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "54  " and name "HD1 ")
 OR { 3099}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "54  " and name "HD2 ")
 OR { 3099}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "54  " and name "HD2 ")
 OR { 3099}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 3099}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 3099}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "25  " and name "HB2 ")
 ASSI { 3085}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "50  " and name "HA  ")
      5.000     5.000     0.000 peak  3085 weight  0.10000E+01 volume  0.44400E+00 ppm1      1.012 ppm2      3.860
 OR { 3085}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "50  " and name "HA  ")
 OR { 3085}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "50  " and name "HA  ")
 OR { 3085}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "24  " and name "HA  ")
 OR { 3085}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "24  " and name "HA  ")
 OR { 3085}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "24  " and name "HA  ")
 ASSI { 3084}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "54  " and name "HN  ")
      5.000     5.000     0.000 peak  3084 weight  0.10000E+01 volume  0.54900E+00 ppm1      1.012 ppm2      7.493
 OR { 3084}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "54  " and name "HN  ")
 OR { 3084}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "54  " and name "HN  ")
 ASSI { 2541}
     (segid "    " and resid "13  " and name "HD11")
     (segid "    " and resid "30  " and name "HA  ")
      6.000     6.000     0.000 peak  2541 weight  0.10000E+01 volume  0.23500E+00 ppm1      0.801 ppm2      3.444
 OR { 2541}
     (segid "    " and resid "13  " and name "HD12")
     (segid "    " and resid "30  " and name "HA  ")
 OR { 2541}
     (segid "    " and resid "13  " and name "HD13")
     (segid "    " and resid "30  " and name "HA  ")
 OR { 2541}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "30  " and name "HA  ")
 OR { 2541}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "30  " and name "HA  ")
 ASSI { 3087}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "52  " and name "HA  ")
      5.000     5.000     0.000 peak  3087 weight  0.10000E+01 volume  0.74300E+00 ppm1      1.014 ppm2      4.273
 OR { 3087}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "52  " and name "HA  ")
 OR { 3087}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "52  " and name "HA  ")
 ASSI { 3077}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "54  " and name "HB2 ")
      3.300     3.300     0.000 peak  3077 weight  0.10000E+01 volume  0.18740E+01 ppm1      1.011 ppm2      2.329
 OR { 3077}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 3077}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 3077}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 3077}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 3077}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 3077}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 3077}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 3077}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "26  " and name "HB1 ")
 ASSI { 3088}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "56  " and name "HA  ")
      5.000     5.000     0.000 peak  3088 weight  0.10000E+01 volume  0.34500E+00 ppm1      1.010 ppm2      4.095
 OR { 3088}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 3088}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "56  " and name "HA  ")
 ASSI { 3081}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "51  " and name "HN  ")
      5.000     5.000     0.000 peak  3081 weight  0.10000E+01 volume  0.66800E+00 ppm1      1.011 ppm2      8.207
 OR { 3081}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "51  " and name "HN  ")
 OR { 3081}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "51  " and name "HN  ")
 OR { 3081}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "52  " and name "HN  ")
 OR { 3081}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "52  " and name "HN  ")
 OR { 3081}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "52  " and name "HN  ")
 ASSI { 3074}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "23  " and name "HN  ")
      2.700     2.700     0.000 peak  3074 weight  0.10000E+01 volume  0.33090E+01 ppm1      1.012 ppm2      8.385
 OR { 3074}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "23  " and name "HN  ")
 OR { 3074}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "23  " and name "HN  ")
 ASSI { 2536}
     (segid "    " and resid "13  " and name "HD12")
     (segid "    " and resid "13  " and name "HN  ")
      6.000     6.000     0.000 peak  2536 weight  0.10000E+01 volume  0.20400E+00 ppm1      0.802 ppm2      9.685
 OR { 2536}
     (segid "    " and resid "13  " and name "HD13")
     (segid "    " and resid "13  " and name "HN  ")
 OR { 2536}
     (segid "    " and resid "13  " and name "HD11")
     (segid "    " and resid "13  " and name "HN  ")
 ASSI { 3092}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "56  " and name "HN  ")
      6.000     6.000     0.000 peak  3092 weight  0.10000E+01 volume  0.20800E+00 ppm1      1.011 ppm2      8.681
 OR { 3092}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "56  " and name "HN  ")
 OR { 3092}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "55  " and name "HN  ")
 OR { 3092}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "55  " and name "HN  ")
 OR { 3092}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "56  " and name "HN  ")
 OR { 3092}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "55  " and name "HN  ")
 OR { 3092}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "57  " and name "HN  ")
 OR { 3092}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "57  " and name "HN  ")
 OR { 3092}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "57  " and name "HN  ")
 ASSI { 3089}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "24  " and name "HN  ")
      6.000     6.000     0.000 peak  3089 weight  0.10000E+01 volume  0.19900E+00 ppm1      1.011 ppm2     10.180
 OR { 3089}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "24  " and name "HN  ")
 OR { 3089}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "24  " and name "HN  ")
 ASSI { 3075}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "59  " and name "HE1 ")
      3.300     3.300     0.000 peak  3075 weight  0.10000E+01 volume  0.22340E+01 ppm1      1.011 ppm2      6.840
 OR { 3075}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 3075}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 3075}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 3075}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 3075}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "59  " and name "HE1 ")
 ASSI { 3096}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "27  " and name "HE2 ")
      6.000     6.000     0.000 peak  3096 weight  0.10000E+01 volume  0.14200E+00 ppm1      1.008 ppm2      2.575
 OR { 3096}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "27  " and name "HE2 ")
 OR { 3096}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "27  " and name "HE2 ")
 OR { 3096}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 3096}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 3096}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "59  " and name "HB2 ")
 ASSI { 3090}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "22  " and name "HA  ")
      5.000     5.000     0.000 peak  3090 weight  0.10000E+01 volume  0.41500E+00 ppm1      1.011 ppm2      4.917
 OR { 3090}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "22  " and name "HA  ")
 OR { 3090}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "22  " and name "HA  ")
 ASSI { 5143}
     (segid "    " and resid "63  " and name "HG1 ")
     (segid "    " and resid "64  " and name "HN  ")
      6.000     6.000     0.000 peak  5143 weight  0.10000E+01 volume  0.20000E+00 ppm1      1.496 ppm2      9.124
 OR { 5143}
     (segid "    " and resid "63  " and name "HG2 ")
     (segid "    " and resid "64  " and name "HN  ")
 ASSI { 5138}
     (segid "    " and resid "63  " and name "HG2 ")
     (segid "    " and resid "63  " and name "HN  ")
      5.000     5.000     0.000 peak  5138 weight  0.10000E+01 volume  0.68500E+00 ppm1      1.499 ppm2      8.418
 OR { 5138}
     (segid "    " and resid "63  " and name "HG1 ")
     (segid "    " and resid "63  " and name "HN  ")
 ASSI { 8508}
     (segid "    " and resid "63  " and name "HG1 ")
     (segid "    " and resid "63  " and name "HA  ")
      5.000     5.000     0.000 peak  8508 weight  0.10000E+01 volume  0.42600E+00 ppm1      1.504 ppm2      4.039
 OR { 8508}
     (segid "    " and resid "63  " and name "HG2 ")
     (segid "    " and resid "63  " and name "HA  ")
 ASSI { 3097}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "51  " and name "HA  ")
      6.000     6.000     0.000 peak  3097 weight  0.10000E+01 volume  0.14700E+00 ppm1      1.012 ppm2      4.551
 OR { 3097}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 3097}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 3097}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 3097}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "51  " and name "HA  ")
 OR { 3097}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "51  " and name "HA  ")
 ASSI { 5148}
     (segid "    " and resid "63  " and name "HG2 ")
     (segid "    " and resid "2   " and name "HN  ")
      6.000     6.000     0.000 peak  5148 weight  0.10000E+01 volume  0.99000E-01 ppm1      1.483 ppm2      8.734
 OR { 5148}
     (segid "    " and resid "63  " and name "HG1 ")
     (segid "    " and resid "2   " and name "HN  ")
 ASSI { 5146}
     (segid "    " and resid "63  " and name "HG1 ")
     (segid "    " and resid "64  " and name "HA  ")
      6.000     6.000     0.000 peak  5146 weight  0.10000E+01 volume  0.11400E+00 ppm1      1.487 ppm2      3.324
 OR { 5146}
     (segid "    " and resid "63  " and name "HG2 ")
     (segid "    " and resid "64  " and name "HA  ")
 ASSI { 4443}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "47  " and name "HA2 ")
      6.000     6.000     0.000 peak  4443 weight  0.10000E+01 volume  0.13900E+00 ppm1      1.550 ppm2      3.464
 OR { 4443}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "47  " and name "HA2 ")
 OR { 4443}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "59  " and name "HB1 ")
 OR { 4443}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "59  " and name "HB1 ")
 ASSI { 4438}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "59  " and name "HE2 ")
      6.000     6.000     0.000 peak  4438 weight  0.10000E+01 volume  0.19000E+00 ppm1      1.557 ppm2      6.854
 OR { 4438}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 4438}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 4438}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 4438}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "60  " and name "HD22")
 OR { 4438}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "60  " and name "HD22")
 ASSI { 4432}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "48  " and name "HN  ")
      5.000     5.000     0.000 peak  4432 weight  0.10000E+01 volume  0.88200E+00 ppm1      1.550 ppm2      8.074
 OR { 4432}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "48  " and name "HN  ")
 ASSI { 4437}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "49  " and name "HN  ")
      5.000     5.000     0.000 peak  4437 weight  0.10000E+01 volume  0.33600E+00 ppm1      1.553 ppm2      8.635
 OR { 4437}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "49  " and name "HN  ")
 ASSI { 4440}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "50  " and name "HD22")
      6.000     6.000     0.000 peak  4440 weight  0.10000E+01 volume  0.57000E-01 ppm1      1.553 ppm2      0.038
 OR { 4440}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "50  " and name "HD23")
 OR { 4440}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "50  " and name "HD21")
 OR { 4440}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "50  " and name "HD23")
 OR { 4440}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "50  " and name "HD22")
 OR { 4440}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "50  " and name "HD21")
 ASSI { 4442}
     (segid "    " and resid "63  " and name "HG1 ")
     (segid "    " and resid "1   " and name "HA  ")
      6.000     6.000     0.000 peak  4442 weight  0.10000E+01 volume  0.16500E+00 ppm1      1.551 ppm2      4.099
 OR { 4442}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "47  " and name "HA1 ")
 OR { 4442}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "47  " and name "HA1 ")
 OR { 4442}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "1   " and name "HA  ")
 OR { 4442}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "1   " and name "HA  ")
 OR { 4442}
     (segid "    " and resid "63  " and name "HG1 ")
     (segid "    " and resid "47  " and name "HA1 ")
 ASSI { 4441}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "59  " and name "HD1 ")
      6.000     6.000     0.000 peak  4441 weight  0.10000E+01 volume  0.15700E+00 ppm1      1.555 ppm2      7.215
 OR { 4441}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 4441}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 4441}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "59  " and name "HD2 ")
 ASSI { 2749}
     (segid "    " and resid "17  " and name "HD13")
     (segid "    " and resid "25  " and name "HB1 ")
      5.000     5.000     0.000 peak  2749 weight  0.10000E+01 volume  0.84100E+00 ppm1      0.840 ppm2      2.849
 OR { 2749}
     (segid "    " and resid "17  " and name "HD12")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 2749}
     (segid "    " and resid "17  " and name "HD11")
     (segid "    " and resid "25  " and name "HB1 ")
 ASSI { 2751}
     (segid "    " and resid "17  " and name "HD12")
     (segid "    " and resid "18  " and name "HG1 ")
      5.000     5.000     0.000 peak  2751 weight  0.10000E+01 volume  0.33900E+00 ppm1      0.832 ppm2      2.376
 OR { 2751}
     (segid "    " and resid "17  " and name "HD12")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 2751}
     (segid "    " and resid "17  " and name "HD11")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 2751}
     (segid "    " and resid "17  " and name "HD11")
     (segid "    " and resid "18  " and name "HG1 ")
 OR { 2751}
     (segid "    " and resid "17  " and name "HD13")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 2751}
     (segid "    " and resid "17  " and name "HD13")
     (segid "    " and resid "18  " and name "HG1 ")
 ASSI { 2755}
     (segid "    " and resid "17  " and name "HD13")
     (segid "    " and resid "16  " and name "HN  ")
      6.000     6.000     0.000 peak  2755 weight  0.10000E+01 volume  0.23400E+00 ppm1      0.832 ppm2      8.128
 OR { 2755}
     (segid "    " and resid "17  " and name "HD11")
     (segid "    " and resid "16  " and name "HN  ")
 OR { 2755}
     (segid "    " and resid "17  " and name "HD12")
     (segid "    " and resid "16  " and name "HN  ")
 OR { 2755}
     (segid "    " and resid "17  " and name "HD13")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 2755}
     (segid "    " and resid "17  " and name "HD13")
     (segid "    " and resid "28  " and name "HN  ")
 OR { 2755}
     (segid "    " and resid "17  " and name "HD12")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 2755}
     (segid "    " and resid "17  " and name "HD12")
     (segid "    " and resid "28  " and name "HN  ")
 OR { 2755}
     (segid "    " and resid "17  " and name "HD11")
     (segid "    " and resid "28  " and name "HN  ")
 OR { 2755}
     (segid "    " and resid "17  " and name "HD11")
     (segid "    " and resid "30  " and name "HN  ")
 ASSI { 2747}
     (segid "    " and resid "17  " and name "HD13")
     (segid "    " and resid "26  " and name "HA  ")
      5.000     5.000     0.000 peak  2747 weight  0.10000E+01 volume  0.12510E+01 ppm1      0.839 ppm2      4.007
 OR { 2747}
     (segid "    " and resid "17  " and name "HD11")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 2747}
     (segid "    " and resid "17  " and name "HD12")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 2757}
     (segid "    " and resid "17  " and name "HD13")
     (segid "    " and resid "29  " and name "HN  ")
      6.000     6.000     0.000 peak  2757 weight  0.10000E+01 volume  0.13400E+00 ppm1      0.844 ppm2      7.858
 OR { 2757}
     (segid "    " and resid "17  " and name "HD12")
     (segid "    " and resid "21  " and name "HN  ")
 OR { 2757}
     (segid "    " and resid "17  " and name "HD11")
     (segid "    " and resid "21  " and name "HN  ")
 OR { 2757}
     (segid "    " and resid "17  " and name "HD13")
     (segid "    " and resid "21  " and name "HN  ")
 OR { 2757}
     (segid "    " and resid "17  " and name "HD12")
     (segid "    " and resid "29  " and name "HN  ")
 OR { 2757}
     (segid "    " and resid "17  " and name "HD11")
     (segid "    " and resid "29  " and name "HN  ")
 ASSI { 2758}
     (segid "    " and resid "17  " and name "HD13")
     (segid "    " and resid "25  " and name "HA  ")
      6.000     6.000     0.000 peak  2758 weight  0.10000E+01 volume  0.11400E+00 ppm1      0.844 ppm2      4.565
 OR { 2758}
     (segid "    " and resid "17  " and name "HD12")
     (segid "    " and resid "25  " and name "HA  ")
 OR { 2758}
     (segid "    " and resid "17  " and name "HD11")
     (segid "    " and resid "25  " and name "HA  ")
 OR { 2758}
     (segid "    " and resid "17  " and name "HD12")
     (segid "    " and resid "15  " and name "HA  ")
 OR { 2758}
     (segid "    " and resid "17  " and name "HD11")
     (segid "    " and resid "15  " and name "HA  ")
 OR { 2758}
     (segid "    " and resid "17  " and name "HD13")
     (segid "    " and resid "15  " and name "HA  ")
 ASSI { 2750}
     (segid "    " and resid "17  " and name "HD11")
     (segid "    " and resid "18  " and name "HN  ")
      5.000     5.000     0.000 peak  2750 weight  0.10000E+01 volume  0.40000E+00 ppm1      0.840 ppm2      9.363
 OR { 2750}
     (segid "    " and resid "17  " and name "HD12")
     (segid "    " and resid "18  " and name "HN  ")
 OR { 2750}
     (segid "    " and resid "17  " and name "HD13")
     (segid "    " and resid "18  " and name "HN  ")
 ASSI { 2746}
     (segid "    " and resid "17  " and name "HD13")
     (segid "    " and resid "29  " and name "HE1 ")
      3.300     3.300     0.000 peak  2746 weight  0.10000E+01 volume  0.16760E+01 ppm1      0.842 ppm2      3.098
 OR { 2746}
     (segid "    " and resid "17  " and name "HD12")
     (segid "    " and resid "29  " and name "HE1 ")
 OR { 2746}
     (segid "    " and resid "17  " and name "HD11")
     (segid "    " and resid "29  " and name "HE1 ")
 OR { 2746}
     (segid "    " and resid "17  " and name "HD12")
     (segid "    " and resid "21  " and name "HB2 ")
 OR { 2746}
     (segid "    " and resid "17  " and name "HD11")
     (segid "    " and resid "21  " and name "HB2 ")
 OR { 2746}
     (segid "    " and resid "17  " and name "HD13")
     (segid "    " and resid "21  " and name "HB2 ")
 ASSI { 2743}
     (segid "    " and resid "17  " and name "HD12")
     (segid "    " and resid "17  " and name "HA  ")
      3.300     3.300     0.000 peak  2743 weight  0.10000E+01 volume  0.20760E+01 ppm1      0.841 ppm2      4.729
 OR { 2743}
     (segid "    " and resid "17  " and name "HD13")
     (segid "    " and resid "17  " and name "HA  ")
 OR { 2743}
     (segid "    " and resid "17  " and name "HD11")
     (segid "    " and resid "17  " and name "HA  ")
 ASSI { 2752}
     (segid "    " and resid "17  " and name "HD11")
     (segid "    " and resid "17  " and name "HN  ")
      5.000     5.000     0.000 peak  2752 weight  0.10000E+01 volume  0.33400E+00 ppm1      0.834 ppm2      8.287
 OR { 2752}
     (segid "    " and resid "17  " and name "HD13")
     (segid "    " and resid "17  " and name "HN  ")
 OR { 2752}
     (segid "    " and resid "17  " and name "HD12")
     (segid "    " and resid "17  " and name "HN  ")
 ASSI { 2748}
     (segid "    " and resid "17  " and name "HD12")
     (segid "    " and resid "21  " and name "HB1 ")
      5.000     5.000     0.000 peak  2748 weight  0.10000E+01 volume  0.86100E+00 ppm1      0.840 ppm2      2.721
 OR { 2748}
     (segid "    " and resid "17  " and name "HD13")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 2748}
     (segid "    " and resid "17  " and name "HD11")
     (segid "    " and resid "21  " and name "HB1 ")
 ASSI { 2754}
     (segid "    " and resid "17  " and name "HD12")
     (segid "    " and resid "26  " and name "HN  ")
      6.000     6.000     0.000 peak  2754 weight  0.10000E+01 volume  0.21600E+00 ppm1      0.839 ppm2      7.737
 OR { 2754}
     (segid "    " and resid "17  " and name "HD13")
     (segid "    " and resid "26  " and name "HN  ")
 OR { 2754}
     (segid "    " and resid "17  " and name "HD11")
     (segid "    " and resid "26  " and name "HN  ")
 ASSI { 2225}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "12  " and name "HA  ")
      6.000     6.000     0.000 peak  2225 weight  0.10000E+01 volume  0.27000E+00 ppm1      1.251 ppm2      5.087
 OR { 2225}
     (segid "    " and resid "6   " and name "HG2 ")
     (segid "    " and resid "12  " and name "HA  ")
 OR { 2225}
     (segid "    " and resid "6   " and name "HG2 ")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 2225}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "69  " and name "HA  ")
 ASSI { 2223}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "7   " and name "HN  ")
      6.000     6.000     0.000 peak  2223 weight  0.10000E+01 volume  0.22700E+00 ppm1      1.249 ppm2      8.765
 OR { 2223}
     (segid "    " and resid "6   " and name "HG2 ")
     (segid "    " and resid "7   " and name "HN  ")
 ASSI { 2206}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "6   " and name "HN  ")
      6.000     6.000     0.000 peak  2206 weight  0.10000E+01 volume  0.19500E+00 ppm1      1.417 ppm2      8.971
 ASSI { 2157}
     (segid "    " and resid "6   " and name "HG2 ")
     (segid "    " and resid "10  " and name "HA2 ")
      6.000     6.000     0.000 peak  2157 weight  0.10000E+01 volume  0.10800E+00 ppm1      1.253 ppm2      3.617
 OR { 2157}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "10  " and name "HA2 ")
 ASSI { 2222}
     (segid "    " and resid "6   " and name "HG2 ")
     (segid "    " and resid "6   " and name "HN  ")
      6.000     6.000     0.000 peak  2222 weight  0.10000E+01 volume  0.22500E+00 ppm1      1.255 ppm2      8.970
 ASSI { 2214}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "12  " and name "HA  ")
      6.000     6.000     0.000 peak  2214 weight  0.10000E+01 volume  0.23200E+00 ppm1      1.423 ppm2      5.077
 OR { 2214}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "12  " and name "HA  ")
 OR { 2214}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 2214}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "69  " and name "HA  ")
 ASSI { 2212}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "7   " and name "HN  ")
      6.000     6.000     0.000 peak  2212 weight  0.10000E+01 volume  0.19300E+00 ppm1      1.411 ppm2      8.779
 OR { 2212}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "7   " and name "HN  ")
 ASSI { 2204}
     (segid "    " and resid "6   " and name "HG2 ")
     (segid "    " and resid "68  " and name "HA  ")
      6.000     6.000     0.000 peak  2204 weight  0.10000E+01 volume  0.21700E+00 ppm1      1.257 ppm2      5.023
 ASSI { 2200}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "11  " and name "HE2 ")
      5.000     5.000     0.000 peak  2200 weight  0.10000E+01 volume  0.86500E+00 ppm1      1.410 ppm2      2.908
 OR { 2200}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 2200}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "6   " and name "HE1 ")
 OR { 2200}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "6   " and name "HE2 ")
 OR { 2200}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "6   " and name "HE1 ")
 OR { 2200}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "6   " and name "HE2 ")
 OR { 2200}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 2200}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 2216}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "11  " and name "HE1 ")
      5.000     5.000     0.000 peak  2216 weight  0.10000E+01 volume  0.95000E+00 ppm1      1.253 ppm2      2.913
 OR { 2216}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 2216}
     (segid "    " and resid "6   " and name "HG2 ")
     (segid "    " and resid "6   " and name "HE2 ")
 OR { 2216}
     (segid "    " and resid "6   " and name "HG2 ")
     (segid "    " and resid "6   " and name "HE1 ")
 OR { 2216}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "6   " and name "HE2 ")
 OR { 2216}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "6   " and name "HE1 ")
 OR { 2216}
     (segid "    " and resid "6   " and name "HG2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 2216}
     (segid "    " and resid "6   " and name "HG2 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 6870}
     (segid "    " and resid "71  " and name "HD11")
     (segid "    " and resid "40  " and name "HG2 ")
      5.000     5.000     0.000 peak  6870 weight  0.10000E+01 volume  0.39300E+00 ppm1      0.964 ppm2      2.416
 OR { 6870}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "40  " and name "HG2 ")
 OR { 6870}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "40  " and name "HG1 ")
 OR { 6870}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "40  " and name "HG2 ")
 OR { 6870}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "40  " and name "HG1 ")
 OR { 6870}
     (segid "    " and resid "71  " and name "HD11")
     (segid "    " and resid "40  " and name "HG1 ")
 ASSI { 8752}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "40  " and name "HB1 ")
      5.000     5.000     0.000 peak  8752 weight  0.10000E+01 volume  0.33900E+00 ppm1      0.966 ppm2      2.488
 OR { 8752}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "40  " and name "HB1 ")
 OR { 8752}
     (segid "    " and resid "71  " and name "HD11")
     (segid "    " and resid "40  " and name "HB1 ")
 ASSI { 8753}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "41  " and name "HA  ")
      6.000     6.000     0.000 peak  8753 weight  0.10000E+01 volume  0.17000E+00 ppm1      0.969 ppm2      4.121
 OR { 8753}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 8753}
     (segid "    " and resid "71  " and name "HD11")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 8754}
     (segid "    " and resid "73  " and name "HD13")
     (segid "    " and resid "73  " and name "HA  ")
      6.000     6.000     0.000 peak  8754 weight  0.10000E+01 volume  0.26100E+00 ppm1      0.966 ppm2      4.425
 OR { 8754}
     (segid "    " and resid "73  " and name "HD12")
     (segid "    " and resid "73  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "71  " and name "HD11")
     (segid "    " and resid "40  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "71  " and name "HD11")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "40  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "73  " and name "HD11")
     (segid "    " and resid "73  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "40  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "73  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "36  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "73  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "36  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "71  " and name "HD11")
     (segid "    " and resid "36  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "71  " and name "HD11")
     (segid "    " and resid "73  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "73  " and name "HD12")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "73  " and name "HD11")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "73  " and name "HD13")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "73  " and name "HD12")
     (segid "    " and resid "40  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "73  " and name "HD11")
     (segid "    " and resid "40  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "73  " and name "HD13")
     (segid "    " and resid "40  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "73  " and name "HD12")
     (segid "    " and resid "36  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "73  " and name "HD13")
     (segid "    " and resid "36  " and name "HA  ")
 OR { 8754}
     (segid "    " and resid "73  " and name "HD11")
     (segid "    " and resid "36  " and name "HA  ")
 ASSI { 8758}
     (segid "    " and resid "71  " and name "HD11")
     (segid "    " and resid "71  " and name "HN  ")
      6.000     6.000     0.000 peak  8758 weight  0.10000E+01 volume  0.22100E+00 ppm1      0.968 ppm2      8.074
 OR { 8758}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "71  " and name "HN  ")
 OR { 8758}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "71  " and name "HN  ")
 ASSI { 8759}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "72  " and name "HN  ")
      5.000     5.000     0.000 peak  8759 weight  0.10000E+01 volume  0.33400E+00 ppm1      0.966 ppm2      8.549
 OR { 8759}
     (segid "    " and resid "71  " and name "HD11")
     (segid "    " and resid "72  " and name "HN  ")
 OR { 8759}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "72  " and name "HN  ")
 ASSI { 2208}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "12  " and name "HN  ")
      6.000     6.000     0.000 peak  2208 weight  0.10000E+01 volume  0.21600E+00 ppm1      1.408 ppm2      8.610
 ASSI { 8865}
     (segid "    " and resid "73  " and name "HD13")
     (segid "    " and resid "73  " and name "HA  ")
      6.000     6.000     0.000 peak  8865 weight  0.10000E+01 volume  0.19600E+00 ppm1      0.923 ppm2      4.387
 OR { 8865}
     (segid "    " and resid "73  " and name "HD12")
     (segid "    " and resid "73  " and name "HA  ")
 OR { 8865}
     (segid "    " and resid "73  " and name "HD11")
     (segid "    " and resid "73  " and name "HA  ")
 OR { 8865}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 8865}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "73  " and name "HA  ")
 OR { 8865}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 8865}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "73  " and name "HA  ")
 OR { 8865}
     (segid "    " and resid "73  " and name "HD12")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 8865}
     (segid "    " and resid "73  " and name "HD11")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 8865}
     (segid "    " and resid "73  " and name "HD13")
     (segid "    " and resid "70  " and name "HA  ")
 ASSI { 3711}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "32  " and name "HB1 ")
      6.000     6.000     0.000 peak  3711 weight  0.10000E+01 volume  0.26000E+00 ppm1      1.644 ppm2      2.885
 OR { 3711}
     (segid "    " and resid "33  " and name "HG2 ")
     (segid "    " and resid "32  " and name "HB1 ")
 ASSI { 3706}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "30  " and name "HA  ")
      6.000     6.000     0.000 peak  3706 weight  0.10000E+01 volume  0.20300E+00 ppm1      1.647 ppm2      3.441
 OR { 3706}
     (segid "    " and resid "33  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HA  ")
 ASSI { 2224}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "11  " and name "HN  ")
      6.000     6.000     0.000 peak  2224 weight  0.10000E+01 volume  0.16200E+00 ppm1      1.249 ppm2      7.285
 ASSI { 3697}
     (segid "    " and resid "33  " and name "HG2 ")
     (segid "    " and resid "33  " and name "HN  ")
      5.000     5.000     0.000 peak  3697 weight  0.10000E+01 volume  0.13580E+01 ppm1      1.640 ppm2      7.353
 OR { 3697}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "33  " and name "HN  ")
 ASSI { 3708}
     (segid "    " and resid "33  " and name "HG2 ")
     (segid "    " and resid "32  " and name "HB2 ")
      5.000     5.000     0.000 peak  3708 weight  0.10000E+01 volume  0.30100E+00 ppm1      1.636 ppm2      2.747
 OR { 3708}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "32  " and name "HB2 ")
 ASSI { 3710}
     (segid "    " and resid "33  " and name "HG2 ")
     (segid "    " and resid "34  " and name "HN  ")
      6.000     6.000     0.000 peak  3710 weight  0.10000E+01 volume  0.26800E+00 ppm1      1.644 ppm2      8.678
 OR { 3710}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "34  " and name "HN  ")
 ASSI { 2256}
     (segid "    " and resid "13  " and name "HD21")
     (segid "    " and resid "33  " and name "HA  ")
      6.000     6.000     0.000 peak  2256 weight  0.10000E+01 volume  0.68000E-01 ppm1      0.787 ppm2      4.344
 OR { 2256}
     (segid "    " and resid "13  " and name "HD23")
     (segid "    " and resid "33  " and name "HA  ")
 OR { 2256}
     (segid "    " and resid "13  " and name "HD22")
     (segid "    " and resid "33  " and name "HA  ")
 OR { 2256}
     (segid "    " and resid "13  " and name "HD21")
     (segid "    " and resid "11  " and name "HA  ")
 OR { 2256}
     (segid "    " and resid "13  " and name "HD23")
     (segid "    " and resid "11  " and name "HA  ")
 OR { 2256}
     (segid "    " and resid "13  " and name "HD22")
     (segid "    " and resid "11  " and name "HA  ")
 OR { 2256}
     (segid "    " and resid "13  " and name "HD21")
     (segid "    " and resid "32  " and name "HA  ")
 OR { 2256}
     (segid "    " and resid "13  " and name "HD22")
     (segid "    " and resid "32  " and name "HA  ")
 OR { 2256}
     (segid "    " and resid "13  " and name "HD23")
     (segid "    " and resid "32  " and name "HA  ")
 ASSI { 2255}
     (segid "    " and resid "13  " and name "HD23")
     (segid "    " and resid "11  " and name "HE2 ")
      6.000     6.000     0.000 peak  2255 weight  0.10000E+01 volume  0.85000E-01 ppm1      0.787 ppm2      2.920
 OR { 2255}
     (segid "    " and resid "13  " and name "HD23")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 2255}
     (segid "    " and resid "13  " and name "HD22")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 2255}
     (segid "    " and resid "13  " and name "HD21")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 2255}
     (segid "    " and resid "13  " and name "HD21")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 2255}
     (segid "    " and resid "13  " and name "HD22")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 2255}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 2255}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 2255}
     (segid "    " and resid "13  " and name "HD23")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 2255}
     (segid "    " and resid "13  " and name "HD22")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 2255}
     (segid "    " and resid "13  " and name "HD21")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 2255}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 2255}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 2255}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 2255}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 2243}
     (segid "    " and resid "13  " and name "HD22")
     (segid "    " and resid "30  " and name "HA  ")
      5.000     5.000     0.000 peak  2243 weight  0.10000E+01 volume  0.42800E+00 ppm1      0.791 ppm2      3.442
 OR { 2243}
     (segid "    " and resid "13  " and name "HD21")
     (segid "    " and resid "30  " and name "HA  ")
 OR { 2243}
     (segid "    " and resid "13  " and name "HD23")
     (segid "    " and resid "30  " and name "HA  ")
 ASSI { 2260}
     (segid "    " and resid "13  " and name "HD21")
     (segid "    " and resid "33  " and name "HN  ")
      6.000     6.000     0.000 peak  2260 weight  0.10000E+01 volume  0.58000E-01 ppm1      0.788 ppm2      7.340
 OR { 2260}
     (segid "    " and resid "13  " and name "HD22")
     (segid "    " and resid "33  " and name "HN  ")
 OR { 2260}
     (segid "    " and resid "13  " and name "HD23")
     (segid "    " and resid "33  " and name "HN  ")
 ASSI { 2270}
     (segid "    " and resid "13  " and name "HD21")
     (segid "    " and resid "14  " and name "HN  ")
      6.000     6.000     0.000 peak  2270 weight  0.10000E+01 volume  0.21500E+00 ppm1      0.787 ppm2      8.570
 OR { 2270}
     (segid "    " and resid "13  " and name "HD22")
     (segid "    " and resid "14  " and name "HN  ")
 OR { 2270}
     (segid "    " and resid "13  " and name "HD23")
     (segid "    " and resid "14  " and name "HN  ")
 OR { 2270}
     (segid "    " and resid "13  " and name "HD23")
     (segid "    " and resid "12  " and name "HN  ")
 OR { 2270}
     (segid "    " and resid "13  " and name "HD21")
     (segid "    " and resid "12  " and name "HN  ")
 OR { 2270}
     (segid "    " and resid "13  " and name "HD22")
     (segid "    " and resid "12  " and name "HN  ")
 ASSI { 2263}
     (segid "    " and resid "13  " and name "HD22")
     (segid "    " and resid "34  " and name "HN  ")
      6.000     6.000     0.000 peak  2263 weight  0.10000E+01 volume  0.10000E+00 ppm1      0.787 ppm2      8.687
 OR { 2263}
     (segid "    " and resid "13  " and name "HD21")
     (segid "    " and resid "34  " and name "HN  ")
 OR { 2263}
     (segid "    " and resid "13  " and name "HD23")
     (segid "    " and resid "34  " and name "HN  ")
 OR { 2263}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "66  " and name "HN  ")
 OR { 2263}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "66  " and name "HN  ")
 OR { 2263}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "66  " and name "HN  ")
 OR { 2263}
     (segid "    " and resid "13  " and name "HD21")
     (segid "    " and resid "66  " and name "HN  ")
 OR { 2263}
     (segid "    " and resid "13  " and name "HD23")
     (segid "    " and resid "66  " and name "HN  ")
 OR { 2263}
     (segid "    " and resid "13  " and name "HD22")
     (segid "    " and resid "66  " and name "HN  ")
 OR { 2263}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "34  " and name "HN  ")
 OR { 2263}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "34  " and name "HN  ")
 OR { 2263}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "34  " and name "HN  ")
 ASSI { 2287}
     (segid "    " and resid "13  " and name "HD23")
     (segid "    " and resid "13  " and name "HN  ")
      6.000     6.000     0.000 peak  2287 weight  0.10000E+01 volume  0.93000E-01 ppm1      0.788 ppm2      9.683
 OR { 2287}
     (segid "    " and resid "13  " and name "HD22")
     (segid "    " and resid "13  " and name "HN  ")
 OR { 2287}
     (segid "    " and resid "13  " and name "HD21")
     (segid "    " and resid "13  " and name "HN  ")
 ASSI { 2319}
     (segid "    " and resid "8   " and name "HD12")
     (segid "    " and resid "70  " and name "HA  ")
      5.000     5.000     0.000 peak  2319 weight  0.10000E+01 volume  0.41100E+00 ppm1      1.036 ppm2      4.411
 OR { 2319}
     (segid "    " and resid "8   " and name "HD11")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 2319}
     (segid "    " and resid "8   " and name "HD13")
     (segid "    " and resid "70  " and name "HA  ")
 ASSI { 1960}
     (segid "    " and resid "8   " and name "HD13")
     (segid "    " and resid "8   " and name "HN  ")
      6.000     6.000     0.000 peak  1960 weight  0.10000E+01 volume  0.61000E-01 ppm1      1.039 ppm2      9.076
 OR { 1960}
     (segid "    " and resid "8   " and name "HD12")
     (segid "    " and resid "8   " and name "HN  ")
 OR { 1960}
     (segid "    " and resid "8   " and name "HD11")
     (segid "    " and resid "8   " and name "HN  ")
 ASSI { 4547}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "59  " and name "HE2 ")
      6.000     6.000     0.000 peak  4547 weight  0.10000E+01 volume  0.87000E-01 ppm1      0.481 ppm2      6.838
 OR { 4547}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 4547}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 4547}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 4547}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 4547}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "59  " and name "HE2 ")
 ASSI { 4543}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "61  " and name "HD23")
      5.000     5.000     0.000 peak  4543 weight  0.10000E+01 volume  0.50700E+00 ppm1      0.482 ppm2     -0.064
 OR { 4543}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "61  " and name "HD22")
 OR { 4543}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "61  " and name "HD21")
 OR { 4543}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "61  " and name "HD22")
 OR { 4543}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "61  " and name "HD23")
 OR { 4543}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "61  " and name "HD21")
 OR { 4543}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "61  " and name "HD21")
 OR { 4543}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "61  " and name "HD23")
 OR { 4543}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "61  " and name "HD22")
 ASSI { 4552}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "27  " and name "HE2 ")
      6.000     6.000     0.000 peak  4552 weight  0.10000E+01 volume  0.81000E-01 ppm1      0.482 ppm2      2.569
 OR { 4552}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 4552}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 4552}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 4552}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "27  " and name "HE2 ")
 OR { 4552}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "27  " and name "HE2 ")
 ASSI { 4553}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "44  " and name "HA  ")
      6.000     6.000     0.000 peak  4553 weight  0.10000E+01 volume  0.15200E+00 ppm1      0.481 ppm2      4.856
 OR { 4553}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "44  " and name "HA  ")
 OR { 4553}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "44  " and name "HA  ")
 OR { 4553}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "49  " and name "HA  ")
 OR { 4553}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "49  " and name "HA  ")
 OR { 4553}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 4550}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "23  " and name "HA  ")
      6.000     6.000     0.000 peak  4550 weight  0.10000E+01 volume  0.14800E+00 ppm1      0.482 ppm2      3.420
 OR { 4550}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 4550}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 4550}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "59  " and name "HB1 ")
 OR { 4550}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "59  " and name "HB1 ")
 OR { 4550}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "59  " and name "HB1 ")
 ASSI { 2321}
     (segid "    " and resid "8   " and name "HD12")
     (segid "    " and resid "71  " and name "HN  ")
      6.000     6.000     0.000 peak  2321 weight  0.10000E+01 volume  0.29200E+00 ppm1      1.038 ppm2      8.071
 OR { 2321}
     (segid "    " and resid "8   " and name "HD13")
     (segid "    " and resid "71  " and name "HN  ")
 OR { 2321}
     (segid "    " and resid "8   " and name "HD11")
     (segid "    " and resid "71  " and name "HN  ")
 ASSI { 4556}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "45  " and name "HA  ")
      6.000     6.000     0.000 peak  4556 weight  0.10000E+01 volume  0.48000E-01 ppm1      0.486 ppm2      5.177
 OR { 4556}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "45  " and name "HA  ")
 OR { 4556}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "45  " and name "HA  ")
 ASSI { 4542}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "45  " and name "HN  ")
      5.000     5.000     0.000 peak  4542 weight  0.10000E+01 volume  0.31500E+00 ppm1      0.478 ppm2      9.152
 OR { 4542}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "45  " and name "HN  ")
 OR { 4542}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "45  " and name "HN  ")
 OR { 4542}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "44  " and name "HN  ")
 OR { 4542}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "44  " and name "HN  ")
 OR { 4542}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "44  " and name "HN  ")
 ASSI { 1939}
     (segid "    " and resid "8   " and name "HD13")
     (segid "    " and resid "7   " and name "HA  ")
      6.000     6.000     0.000 peak  1939 weight  0.10000E+01 volume  0.76000E-01 ppm1      1.039 ppm2      4.860
 OR { 1939}
     (segid "    " and resid "8   " and name "HD12")
     (segid "    " and resid "7   " and name "HA  ")
 OR { 1939}
     (segid "    " and resid "8   " and name "HD11")
     (segid "    " and resid "7   " and name "HA  ")
 OR { 1939}
     (segid "    " and resid "8   " and name "HD11")
     (segid "    " and resid "71  " and name "HA  ")
 OR { 1939}
     (segid "    " and resid "8   " and name "HD13")
     (segid "    " and resid "71  " and name "HA  ")
 OR { 1939}
     (segid "    " and resid "8   " and name "HD12")
     (segid "    " and resid "71  " and name "HA  ")
 ASSI { 2073}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "65  " and name "HA  ")
      6.000     6.000     0.000 peak  2073 weight  0.10000E+01 volume  0.29700E+00 ppm1      0.737 ppm2      4.580
 OR { 2073}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "65  " and name "HA  ")
 OR { 2073}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "65  " and name "HA  ")
 OR { 2073}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "62  " and name "HA  ")
 OR { 2073}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "62  " and name "HA  ")
 OR { 2073}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "62  " and name "HA  ")
 ASSI { 4554}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "23  " and name "HB  ")
      6.000     6.000     0.000 peak  4554 weight  0.10000E+01 volume  0.11000E+00 ppm1      0.481 ppm2      2.241
 OR { 4554}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "23  " and name "HB  ")
 OR { 4554}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "23  " and name "HB  ")
 OR { 4554}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 4554}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "49  " and name "HG1 ")
 OR { 4554}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "49  " and name "HG1 ")
 OR { 4554}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 4554}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 4554}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "49  " and name "HG1 ")
 OR { 4554}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "58  " and name "HB1 ")
 OR { 4554}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "58  " and name "HB1 ")
 OR { 4554}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 4554}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "58  " and name "HB1 ")
 OR { 4554}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 4554}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "30  " and name "HB  ")
 ASSI { 4548}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "48  " and name "HB1 ")
      6.000     6.000     0.000 peak  4548 weight  0.10000E+01 volume  0.19500E+00 ppm1      0.478 ppm2      1.953
 OR { 4548}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "48  " and name "HB1 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "48  " and name "HB1 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "41  " and name "HB1 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "48  " and name "HB2 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "41  " and name "HB1 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "41  " and name "HB1 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "48  " and name "HB2 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "48  " and name "HB2 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "51  " and name "HB2 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "51  " and name "HB2 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "54  " and name "HG1 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "51  " and name "HB2 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "54  " and name "HG1 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "49  " and name "HB1 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "54  " and name "HG1 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "49  " and name "HB1 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "49  " and name "HB2 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "49  " and name "HB1 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "49  " and name "HB2 ")
 OR { 4548}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "49  " and name "HB2 ")
 ASSI { 4555}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "51  " and name "HN  ")
      6.000     6.000     0.000 peak  4555 weight  0.10000E+01 volume  0.62000E-01 ppm1      0.482 ppm2      8.206
 OR { 4555}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "51  " and name "HN  ")
 OR { 4555}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "51  " and name "HN  ")
 OR { 4555}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "52  " and name "HN  ")
 OR { 4555}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "52  " and name "HN  ")
 OR { 4555}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "52  " and name "HN  ")
 ASSI { 2068}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "64  " and name "HA  ")
      6.000     6.000     0.000 peak  2068 weight  0.10000E+01 volume  0.12000E+00 ppm1      0.739 ppm2      3.306
 OR { 2068}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "64  " and name "HA  ")
 OR { 2068}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "64  " and name "HA  ")
 ASSI { 2075}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "65  " and name "HN  ")
      5.000     5.000     0.000 peak  2075 weight  0.10000E+01 volume  0.83100E+00 ppm1      0.738 ppm2      7.923
 OR { 2075}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "65  " and name "HN  ")
 OR { 2075}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "65  " and name "HN  ")
 ASSI { 2070}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "65  " and name "HB1 ")
      5.000     5.000     0.000 peak  2070 weight  0.10000E+01 volume  0.59200E+00 ppm1      0.738 ppm2      3.806
 OR { 2070}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "65  " and name "HB1 ")
 OR { 2070}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "65  " and name "HB1 ")
 ASSI { 2071}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "63  " and name "HA  ")
      5.000     5.000     0.000 peak  2071 weight  0.10000E+01 volume  0.50900E+00 ppm1      0.738 ppm2      4.019
 OR { 2071}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "63  " and name "HA  ")
 OR { 2071}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "63  " and name "HA  ")
 ASSI { 2076}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "4   " and name "HN  ")
      5.000     5.000     0.000 peak  2076 weight  0.10000E+01 volume  0.50100E+00 ppm1      0.737 ppm2      8.402
 OR { 2076}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "4   " and name "HN  ")
 OR { 2076}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "4   " and name "HN  ")
 OR { 2076}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "63  " and name "HN  ")
 OR { 2076}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "63  " and name "HN  ")
 OR { 2076}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "63  " and name "HN  ")
 ASSI { 2078}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "64  " and name "HN  ")
      5.000     5.000     0.000 peak  2078 weight  0.10000E+01 volume  0.36300E+00 ppm1      0.738 ppm2      9.127
 OR { 2078}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "64  " and name "HN  ")
 OR { 2078}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "64  " and name "HN  ")
 ASSI { 4538}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "45  " and name "HB2 ")
      5.000     5.000     0.000 peak  4538 weight  0.10000E+01 volume  0.79100E+00 ppm1      0.477 ppm2      2.762
 OR { 4538}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 4538}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 4538}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "27  " and name "HE1 ")
 OR { 4538}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "27  " and name "HE1 ")
 OR { 4538}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "27  " and name "HE1 ")
 ASSI { 4539}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "45  " and name "HB1 ")
      5.000     5.000     0.000 peak  4539 weight  0.10000E+01 volume  0.69900E+00 ppm1      0.478 ppm2      2.927
 OR { 4539}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 4539}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "45  " and name "HB1 ")
 ASSI { 2077}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "3   " and name "HN  ")
      6.000     6.000     0.000 peak  2077 weight  0.10000E+01 volume  0.20300E+00 ppm1      0.737 ppm2      8.768
 OR { 2077}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "3   " and name "HN  ")
 OR { 2077}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "3   " and name "HN  ")
 OR { 2077}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "2   " and name "HN  ")
 OR { 2077}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "2   " and name "HN  ")
 OR { 2077}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "2   " and name "HN  ")
 OR { 2077}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 2077}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 2077}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "15  " and name "HN  ")
 ASSI { 2060}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "61  " and name "HD21")
      5.000     5.000     0.000 peak  2060 weight  0.10000E+01 volume  0.10800E+01 ppm1      0.738 ppm2     -0.092
 OR { 2060}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "61  " and name "HD22")
 OR { 2060}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "61  " and name "HD21")
 OR { 2060}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "61  " and name "HD22")
 OR { 2060}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "61  " and name "HD21")
 OR { 2060}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "61  " and name "HD23")
 OR { 2060}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "61  " and name "HD23")
 OR { 2060}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "61  " and name "HD22")
 OR { 2060}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "61  " and name "HD23")
 ASSI { 4537}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "43  " and name "HB2 ")
      5.000     5.000     0.000 peak  4537 weight  0.10000E+01 volume  0.10530E+01 ppm1      0.477 ppm2      1.700
 OR { 4537}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "43  " and name "HB2 ")
 OR { 4537}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "43  " and name "HB2 ")
 ASSI { 4551}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "45  " and name "HD2 ")
      6.000     6.000     0.000 peak  4551 weight  0.10000E+01 volume  0.13300E+00 ppm1      0.478 ppm2      7.396
 OR { 4551}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 4551}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 4551}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 4551}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 4551}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "45  " and name "HD2 ")
 ASSI { 2074}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "62  " and name "HN  ")
      6.000     6.000     0.000 peak  2074 weight  0.10000E+01 volume  0.14400E+00 ppm1      0.738 ppm2      7.697
 OR { 2074}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "62  " and name "HN  ")
 OR { 2074}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "62  " and name "HN  ")
 ASSI { 2069}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "65  " and name "HB2 ")
      3.300     3.300     0.000 peak  2069 weight  0.10000E+01 volume  0.15060E+01 ppm1      0.739 ppm2      3.636
 OR { 2069}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "65  " and name "HB2 ")
 OR { 2069}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "65  " and name "HB2 ")
 ASSI { 4545}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "59  " and name "HD2 ")
      6.000     6.000     0.000 peak  4545 weight  0.10000E+01 volume  0.16400E+00 ppm1      0.478 ppm2      7.224
 OR { 4545}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 4545}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 4545}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 4545}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 4545}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "59  " and name "HD1 ")
 ASSI { 4549}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "43  " and name "HA  ")
      6.000     6.000     0.000 peak  4549 weight  0.10000E+01 volume  0.10100E+00 ppm1      0.481 ppm2      5.280
 OR { 4549}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "43  " and name "HA  ")
 OR { 4549}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "43  " and name "HA  ")
 ASSI { 3459}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HN  ")
      6.000     6.000     0.000 peak  3459 weight  0.10000E+01 volume  0.24900E+00 ppm1      1.604 ppm2      8.109
 OR { 3459}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "28  " and name "HN  ")
 OR { 3459}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "16  " and name "HN  ")
 OR { 3459}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "32  " and name "HN  ")
 ASSI { 3454}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HN  ")
      5.000     5.000     0.000 peak  3454 weight  0.10000E+01 volume  0.10710E+01 ppm1      1.606 ppm2      7.861
 ASSI { 4541}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "50  " and name "HN  ")
      5.000     5.000     0.000 peak  4541 weight  0.10000E+01 volume  0.48800E+00 ppm1      0.477 ppm2      8.612
 OR { 4541}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "50  " and name "HN  ")
 OR { 4541}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "50  " and name "HN  ")
 ASSI { 3458}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "26  " and name "HA  ")
      6.000     6.000     0.000 peak  3458 weight  0.10000E+01 volume  0.22300E+00 ppm1      1.601 ppm2      4.012
 ASSI { 3446}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "26  " and name "HA  ")
      6.000     6.000     0.000 peak  3446 weight  0.10000E+01 volume  0.21100E+00 ppm1      1.702 ppm2      4.015
 ASSI { 3447}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "30  " and name "HN  ")
      6.000     6.000     0.000 peak  3447 weight  0.10000E+01 volume  0.17900E+00 ppm1      1.707 ppm2      8.103
 OR { 3447}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "28  " and name "HN  ")
 OR { 3447}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "16  " and name "HN  ")
 OR { 3447}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "32  " and name "HN  ")
 ASSI { 3443}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HN  ")
      5.000     5.000     0.000 peak  3443 weight  0.10000E+01 volume  0.80300E+00 ppm1      1.706 ppm2      7.862
 ASSI { 5492}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "43  " and name "HA  ")
      6.000     6.000     0.000 peak  5492 weight  0.10000E+01 volume  0.12500E+00 ppm1      0.746 ppm2      5.275
 OR { 5492}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "43  " and name "HA  ")
 OR { 5492}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "43  " and name "HA  ")
 OR { 5492}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "6   " and name "HA  ")
 OR { 5492}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "6   " and name "HA  ")
 OR { 5492}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "6   " and name "HA  ")
 ASSI { 5487}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "69  " and name "HN  ")
      6.000     6.000     0.000 peak  5487 weight  0.10000E+01 volume  0.20800E+00 ppm1      0.748 ppm2      8.335
 OR { 5487}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "69  " and name "HN  ")
 OR { 5487}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "69  " and name "HN  ")
 OR { 5487}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "17  " and name "HN  ")
 OR { 5487}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "17  " and name "HN  ")
 OR { 5487}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "17  " and name "HN  ")
 OR { 5487}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "23  " and name "HN  ")
 OR { 5487}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "23  " and name "HN  ")
 OR { 5487}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "23  " and name "HN  ")
 OR { 5487}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "23  " and name "HN  ")
 OR { 5487}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "69  " and name "HN  ")
 OR { 5487}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "23  " and name "HN  ")
 OR { 5487}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "69  " and name "HN  ")
 OR { 5487}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "23  " and name "HN  ")
 OR { 5487}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "69  " and name "HN  ")
 OR { 5487}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "17  " and name "HN  ")
 OR { 5487}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "17  " and name "HN  ")
 OR { 5487}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "17  " and name "HN  ")
 ASSI { 5486}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "7   " and name "HB  ")
      5.000     5.000     0.000 peak  5486 weight  0.10000E+01 volume  0.35600E+00 ppm1      0.749 ppm2      4.785
 OR { 5486}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "7   " and name "HB  ")
 OR { 5486}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "7   " and name "HB  ")
 OR { 5486}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "17  " and name "HA  ")
 OR { 5486}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "17  " and name "HA  ")
 OR { 5486}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "17  " and name "HA  ")
 OR { 5486}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "17  " and name "HA  ")
 OR { 5486}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "17  " and name "HA  ")
 OR { 5486}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "17  " and name "HA  ")
 OR { 5486}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "7   " and name "HB  ")
 OR { 5486}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "7   " and name "HB  ")
 OR { 5486}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "7   " and name "HB  ")
 ASSI { 5485}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "7   " and name "HA  ")
      5.000     5.000     0.000 peak  5485 weight  0.10000E+01 volume  0.38300E+00 ppm1      0.749 ppm2      4.891
 OR { 5485}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "7   " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "7   " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "18  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "18  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "18  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "71  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "21  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "21  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "21  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "22  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "71  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "22  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "22  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "71  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "22  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "22  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "22  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "7   " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "7   " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "7   " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "21  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "21  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "21  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "18  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "18  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "71  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "71  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "18  " and name "HA  ")
 OR { 5485}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "71  " and name "HA  ")
 ASSI { 5490}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "42  " and name "HN  ")
      6.000     6.000     0.000 peak  5490 weight  0.10000E+01 volume  0.13400E+00 ppm1      0.748 ppm2      8.480
 OR { 5490}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "42  " and name "HN  ")
 OR { 5490}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "42  " and name "HN  ")
 ASSI { 5042}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "45  " and name "HB1 ")
      6.000     6.000     0.000 peak  5042 weight  0.10000E+01 volume  0.12000E+00 ppm1      0.553 ppm2      2.926
 OR { 5042}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 5042}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "45  " and name "HB1 ")
 OR { 5042}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "58  " and name "HB2 ")
 OR { 5042}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "58  " and name "HB2 ")
 OR { 5042}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "58  " and name "HB2 ")
 ASSI { 5488}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "70  " and name "HN  ")
      6.000     6.000     0.000 peak  5488 weight  0.10000E+01 volume  0.16800E+00 ppm1      0.747 ppm2      9.232
 OR { 5488}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "70  " and name "HN  ")
 OR { 5488}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "70  " and name "HN  ")
 OR { 5488}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "5   " and name "HN  ")
 OR { 5488}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "5   " and name "HN  ")
 OR { 5488}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "5   " and name "HN  ")
 ASSI { 5483}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "19  " and name "HA  ")
      5.000     5.000     0.000 peak  5483 weight  0.10000E+01 volume  0.37600E+00 ppm1      0.747 ppm2      4.127
 OR { 5483}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "19  " and name "HA  ")
 OR { 5483}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "19  " and name "HA  ")
 OR { 5483}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 5483}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 5483}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 5483}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 5483}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 5483}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 5483}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 5483}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 5483}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 5483}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 5483}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "19  " and name "HA  ")
 OR { 5483}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "19  " and name "HA  ")
 ASSI { 5044}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "45  " and name "HB2 ")
      6.000     6.000     0.000 peak  5044 weight  0.10000E+01 volume  0.12800E+00 ppm1      0.547 ppm2      2.774
 OR { 5044}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 5044}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 5044}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 5044}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 5044}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 5044}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 5044}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 5044}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 5044}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 5044}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 5044}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 5044}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "4   " and name "HB1 ")
 OR { 5044}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "4   " and name "HB1 ")
 OR { 5044}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "4   " and name "HB1 ")
 OR { 5044}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "4   " and name "HB1 ")
 OR { 5044}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "4   " and name "HB1 ")
 OR { 5044}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "4   " and name "HB1 ")
 ASSI { 5041}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "45  " and name "HE1 ")
      6.000     6.000     0.000 peak  5041 weight  0.10000E+01 volume  0.22600E+00 ppm1      0.551 ppm2      7.511
 OR { 5041}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "45  " and name "HE2 ")
 OR { 5041}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "45  " and name "HE1 ")
 OR { 5041}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "45  " and name "HE1 ")
 OR { 5041}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "45  " and name "HE2 ")
 OR { 5041}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "59  " and name "HN  ")
 OR { 5041}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "45  " and name "HE2 ")
 OR { 5041}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "59  " and name "HN  ")
 OR { 5041}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "59  " and name "HN  ")
 OR { 5041}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "60  " and name "HD21")
 OR { 5041}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "60  " and name "HD21")
 OR { 5041}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "60  " and name "HD21")
 ASSI { 5045}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "56  " and name "HN  ")
      6.000     6.000     0.000 peak  5045 weight  0.10000E+01 volume  0.92000E-01 ppm1      0.549 ppm2      8.676
 OR { 5045}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "56  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "57  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "56  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "57  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "57  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "66  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "56  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "56  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "56  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "66  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "66  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "57  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "57  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "66  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "57  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "66  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "66  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "55  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "55  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "55  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "55  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "55  " and name "HN  ")
 OR { 5045}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "55  " and name "HN  ")
 ASSI { 5035}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "59  " and name "HB2 ")
      5.000     5.000     0.000 peak  5035 weight  0.10000E+01 volume  0.77000E+00 ppm1      0.549 ppm2      2.570
 OR { 5035}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 5035}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "59  " and name "HB2 ")
 ASSI { 5494}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "27  " and name "HE1 ")
      6.000     6.000     0.000 peak  5494 weight  0.10000E+01 volume  0.13400E+00 ppm1      0.747 ppm2      2.795
 OR { 5494}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "27  " and name "HE1 ")
 OR { 5494}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "27  " and name "HE1 ")
 OR { 5494}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 5494}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 5494}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 5494}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "27  " and name "HE1 ")
 OR { 5494}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "27  " and name "HE1 ")
 OR { 5494}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "27  " and name "HE1 ")
 OR { 5494}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "4   " and name "HB1 ")
 OR { 5494}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "4   " and name "HB1 ")
 OR { 5494}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "4   " and name "HB1 ")
 OR { 5494}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "39  " and name "HB1 ")
 OR { 5494}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 5494}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "60  " and name "HB1 ")
 OR { 5494}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "39  " and name "HB1 ")
 OR { 5494}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "60  " and name "HB1 ")
 OR { 5494}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "60  " and name "HB1 ")
 OR { 5494}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "39  " and name "HB1 ")
 OR { 5494}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 5494}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 5494}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "4   " and name "HB1 ")
 OR { 5494}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "32  " and name "HB2 ")
 OR { 5494}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "4   " and name "HB1 ")
 OR { 5494}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "4   " and name "HB1 ")
 OR { 5494}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "32  " and name "HB2 ")
 OR { 5494}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "32  " and name "HB2 ")
 OR { 5494}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "32  " and name "HB2 ")
 OR { 5494}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "32  " and name "HB2 ")
 OR { 5494}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "32  " and name "HB2 ")
 OR { 5494}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "39  " and name "HB1 ")
 OR { 5494}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "39  " and name "HB1 ")
 OR { 5494}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "39  " and name "HB1 ")
 OR { 5494}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "60  " and name "HB1 ")
 OR { 5494}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "60  " and name "HB1 ")
 OR { 5494}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "60  " and name "HB1 ")
 ASSI { 5039}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "59  " and name "HD2 ")
      5.000     5.000     0.000 peak  5039 weight  0.10000E+01 volume  0.31900E+00 ppm1      0.552 ppm2      7.215
 OR { 5039}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 5039}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 5039}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 5039}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 5039}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 5039}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 5039}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "59  " and name "HD1 ")
 ASSI { 5031}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "56  " and name "HA  ")
      5.000     5.000     0.000 peak  5031 weight  0.10000E+01 volume  0.12490E+01 ppm1      0.550 ppm2      4.097
 OR { 5031}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 5031}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "56  " and name "HA  ")
 ASSI { 4806}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "17  " and name "HA  ")
      6.000     6.000     0.000 peak  4806 weight  0.10000E+01 volume  0.13800E+00 ppm1      0.694 ppm2      4.728
 OR { 4806}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "17  " and name "HA  ")
 OR { 4806}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "17  " and name "HA  ")
 ASSI { 5491}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "41  " and name "HG1 ")
      6.000     6.000     0.000 peak  5491 weight  0.10000E+01 volume  0.21300E+00 ppm1      0.750 ppm2      2.519
 OR { 5491}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "41  " and name "HG1 ")
 OR { 5491}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "41  " and name "HG1 ")
 ASSI { 5493}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "8   " and name "HN  ")
      6.000     6.000     0.000 peak  5493 weight  0.10000E+01 volume  0.10200E+00 ppm1      0.749 ppm2      9.075
 OR { 5493}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "8   " and name "HN  ")
 OR { 5493}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "8   " and name "HN  ")
 OR { 5493}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "64  " and name "HN  ")
 OR { 5493}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "64  " and name "HN  ")
 OR { 5493}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "64  " and name "HN  ")
 OR { 5493}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "64  " and name "HN  ")
 OR { 5493}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "64  " and name "HN  ")
 OR { 5493}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "8   " and name "HN  ")
 OR { 5493}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "8   " and name "HN  ")
 ASSI { 4799}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "21  " and name "HB1 ")
      5.000     5.000     0.000 peak  4799 weight  0.10000E+01 volume  0.43200E+00 ppm1      0.694 ppm2      2.723
 OR { 4799}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 4799}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "21  " and name "HB1 ")
 ASSI { 5037}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "59  " and name "HB1 ")
      5.000     5.000     0.000 peak  5037 weight  0.10000E+01 volume  0.35000E+00 ppm1      0.550 ppm2      3.437
 OR { 5037}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "59  " and name "HB1 ")
 OR { 5037}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "59  " and name "HB1 ")
 ASSI { 5032}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "50  " and name "HD22")
      5.000     5.000     0.000 peak  5032 weight  0.10000E+01 volume  0.85200E+00 ppm1      0.551 ppm2      0.033
 OR { 5032}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "50  " and name "HD21")
 OR { 5032}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "50  " and name "HD22")
 OR { 5032}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "50  " and name "HD21")
 OR { 5032}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "50  " and name "HD23")
 OR { 5032}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "50  " and name "HD21")
 OR { 5032}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "50  " and name "HD22")
 OR { 5032}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "50  " and name "HD23")
 OR { 5032}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "50  " and name "HD23")
 ASSI { 4803}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "23  " and name "HA  ")
      6.000     6.000     0.000 peak  4803 weight  0.10000E+01 volume  0.16500E+00 ppm1      0.694 ppm2      3.386
 OR { 4803}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 4803}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "23  " and name "HA  ")
 ASSI { 5046}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "65  " and name "HB1 ")
      6.000     6.000     0.000 peak  5046 weight  0.10000E+01 volume  0.20200E+00 ppm1      0.553 ppm2      3.802
 OR { 5046}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "65  " and name "HB1 ")
 OR { 5046}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "65  " and name "HB1 ")
 OR { 5046}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "65  " and name "HB1 ")
 OR { 5046}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "65  " and name "HB1 ")
 OR { 5046}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "65  " and name "HB1 ")
 OR { 5046}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "19  " and name "HD2 ")
 OR { 5046}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "19  " and name "HD2 ")
 OR { 5046}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "19  " and name "HD2 ")
 OR { 5046}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "57  " and name "HB1 ")
 OR { 5046}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "57  " and name "HB1 ")
 OR { 5046}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "57  " and name "HB1 ")
 OR { 5046}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "19  " and name "HD2 ")
 OR { 5046}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "19  " and name "HD2 ")
 OR { 5046}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "19  " and name "HD2 ")
 OR { 5046}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "57  " and name "HB1 ")
 OR { 5046}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "57  " and name "HB1 ")
 OR { 5046}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "57  " and name "HB1 ")
 ASSI { 5043}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "45  " and name "HD1 ")
      6.000     6.000     0.000 peak  5043 weight  0.10000E+01 volume  0.17900E+00 ppm1      0.552 ppm2      7.420
 OR { 5043}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 5043}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 5043}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 5043}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "45  " and name "HZ  ")
 OR { 5043}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "45  " and name "HZ  ")
 OR { 5043}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 5043}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 5043}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "45  " and name "HZ  ")
 ASSI { 5180}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "3   " and name "HA  ")
      6.000     6.000     0.000 peak  5180 weight  0.10000E+01 volume  0.13400E+00 ppm1      2.448 ppm2      4.434
 ASSI { 4807}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "26  " and name "HN  ")
      6.000     6.000     0.000 peak  4807 weight  0.10000E+01 volume  0.91000E-01 ppm1      0.694 ppm2      7.733
 OR { 4807}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "26  " and name "HN  ")
 OR { 4807}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "26  " and name "HN  ")
 OR { 4807}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "62  " and name "HN  ")
 OR { 4807}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "62  " and name "HN  ")
 OR { 4807}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "62  " and name "HN  ")
 ASSI { 4797}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "21  " and name "HB2 ")
      5.000     5.000     0.000 peak  4797 weight  0.10000E+01 volume  0.75600E+00 ppm1      0.693 ppm2      3.084
 OR { 4797}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "21  " and name "HB2 ")
 OR { 4797}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "21  " and name "HB2 ")
 ASSI { 4801}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "26  " and name "HB1 ")
      5.000     5.000     0.000 peak  4801 weight  0.10000E+01 volume  0.38200E+00 ppm1      0.688 ppm2      2.373
 OR { 4801}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 4801}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "19  " and name "HB1 ")
 OR { 4801}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 4801}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "19  " and name "HB1 ")
 OR { 4801}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "19  " and name "HB1 ")
 OR { 4801}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "18  " and name "HG1 ")
 OR { 4801}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "18  " and name "HG1 ")
 OR { 4801}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "18  " and name "HG1 ")
 ASSI { 5040}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "61  " and name "HA  ")
      5.000     5.000     0.000 peak  5040 weight  0.10000E+01 volume  0.39400E+00 ppm1      0.552 ppm2      3.675
 OR { 5040}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "61  " and name "HA  ")
 OR { 5040}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "61  " and name "HA  ")
 OR { 5040}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "65  " and name "HB2 ")
 OR { 5040}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "65  " and name "HB2 ")
 OR { 5040}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "65  " and name "HB2 ")
 OR { 5040}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "65  " and name "HB2 ")
 OR { 5040}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "65  " and name "HB2 ")
 OR { 5040}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "65  " and name "HB2 ")
 OR { 5040}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "61  " and name "HA  ")
 OR { 5040}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "61  " and name "HA  ")
 OR { 5040}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "61  " and name "HA  ")
 ASSI { 5047}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "62  " and name "HN  ")
      6.000     6.000     0.000 peak  5047 weight  0.10000E+01 volume  0.94000E-01 ppm1      0.544 ppm2      7.702
 OR { 5047}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "62  " and name "HN  ")
 OR { 5047}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "62  " and name "HN  ")
 OR { 5047}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "62  " and name "HN  ")
 OR { 5047}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "62  " and name "HN  ")
 OR { 5047}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "62  " and name "HN  ")
 OR { 5047}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "26  " and name "HN  ")
 OR { 5047}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "26  " and name "HN  ")
 OR { 5047}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "26  " and name "HN  ")
 OR { 5047}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "26  " and name "HN  ")
 OR { 5047}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "26  " and name "HN  ")
 OR { 5047}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "26  " and name "HN  ")
 ASSI { 5178}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "63  " and name "HG2 ")
      6.000     6.000     0.000 peak  5178 weight  0.10000E+01 volume  0.13100E+00 ppm1      2.447 ppm2      1.483
 OR { 5178}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "63  " and name "HG1 ")
 ASSI { 5172}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "64  " and name "HA  ")
      3.300     3.300     0.000 peak  5172 weight  0.10000E+01 volume  0.16420E+01 ppm1      2.451 ppm2      3.310
 ASSI { 4796}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "19  " and name "HA  ")
      5.000     5.000     0.000 peak  4796 weight  0.10000E+01 volume  0.10000E+01 ppm1      0.694 ppm2      4.115
 OR { 4796}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "19  " and name "HA  ")
 OR { 4796}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "19  " and name "HA  ")
 OR { 4796}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 4796}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 4796}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "56  " and name "HA  ")
 ASSI { 5185}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "4   " and name "HE1 ")
      5.000     5.000     0.000 peak  5185 weight  0.10000E+01 volume  0.74300E+00 ppm1      2.367 ppm2      7.250
 OR { 5185}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "4   " and name "HE2 ")
 OR { 5185}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "4   " and name "HZ  ")
 ASSI { 5188}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "63  " and name "HG2 ")
      6.000     6.000     0.000 peak  5188 weight  0.10000E+01 volume  0.14200E+00 ppm1      2.362 ppm2      1.481
 OR { 5188}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "63  " and name "HG1 ")
 ASSI { 8331}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "26  " and name "HA  ")
      6.000     6.000     0.000 peak  8331 weight  0.10000E+01 volume  0.16900E+00 ppm1      0.696 ppm2      4.012
 OR { 8331}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 8331}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 8331}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "19  " and name "HD1 ")
 OR { 8331}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "19  " and name "HD1 ")
 OR { 8331}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "19  " and name "HD1 ")
 OR { 8331}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "63  " and name "HA  ")
 OR { 8331}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "63  " and name "HA  ")
 OR { 8331}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "63  " and name "HA  ")
 ASSI { 5175}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "64  " and name "HN  ")
      5.000     5.000     0.000 peak  5175 weight  0.10000E+01 volume  0.42000E+00 ppm1      2.453 ppm2      9.116
 ASSI { 5186}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "64  " and name "HN  ")
      5.000     5.000     0.000 peak  5186 weight  0.10000E+01 volume  0.38800E+00 ppm1      2.359 ppm2      9.118
 ASSI { 5189}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "63  " and name "HB2 ")
      6.000     6.000     0.000 peak  5189 weight  0.10000E+01 volume  0.15500E+00 ppm1      2.370 ppm2      1.886
 OR { 5189}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "2   " and name "HB1 ")
 OR { 5189}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "62  " and name "HB2 ")
 ASSI { 4809}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "17  " and name "HN  ")
      6.000     6.000     0.000 peak  4809 weight  0.10000E+01 volume  0.73000E-01 ppm1      0.694 ppm2      8.264
 OR { 4809}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "22  " and name "HN  ")
 OR { 4809}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "17  " and name "HN  ")
 OR { 4809}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "17  " and name "HN  ")
 OR { 4809}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "22  " and name "HN  ")
 OR { 4809}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "22  " and name "HN  ")
 ASSI { 5038}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "61  " and name "HN  ")
      5.000     5.000     0.000 peak  5038 weight  0.10000E+01 volume  0.36400E+00 ppm1      0.549 ppm2      6.818
 OR { 5038}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "61  " and name "HN  ")
 OR { 5038}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "61  " and name "HN  ")
 OR { 5038}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 5038}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 5038}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "59  " and name "HE1 ")
 ASSI { 5183}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "64  " and name "HA  ")
      3.300     3.300     0.000 peak  5183 weight  0.10000E+01 volume  0.16650E+01 ppm1      2.367 ppm2      3.309
 ASSI { 4804}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "18  " and name "HN  ")
      6.000     6.000     0.000 peak  4804 weight  0.10000E+01 volume  0.12300E+00 ppm1      0.693 ppm2      9.364
 OR { 4804}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "18  " and name "HN  ")
 OR { 4804}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "18  " and name "HN  ")
 ASSI { 5174}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "4   " and name "HE2 ")
      5.000     5.000     0.000 peak  5174 weight  0.10000E+01 volume  0.86300E+00 ppm1      2.452 ppm2      7.249
 OR { 5174}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "4   " and name "HE1 ")
 OR { 5174}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "4   " and name "HZ  ")
 ASSI { 4808}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "18  " and name "HA  ")
      6.000     6.000     0.000 peak  4808 weight  0.10000E+01 volume  0.15600E+00 ppm1      0.699 ppm2      4.854
 OR { 4808}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "18  " and name "HA  ")
 OR { 4808}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "18  " and name "HA  ")
 OR { 4808}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "21  " and name "HA  ")
 OR { 4808}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "21  " and name "HA  ")
 OR { 4808}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "21  " and name "HA  ")
 ASSI { 5192}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "65  " and name "HN  ")
      6.000     6.000     0.000 peak  5192 weight  0.10000E+01 volume  0.10200E+00 ppm1      2.369 ppm2      7.923
 ASSI { 4800}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "56  " and name "HN  ")
      5.000     5.000     0.000 peak  4800 weight  0.10000E+01 volume  0.53500E+00 ppm1      0.694 ppm2      8.671
 OR { 4800}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "56  " and name "HN  ")
 OR { 4800}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "56  " and name "HN  ")
 OR { 4800}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "57  " and name "HN  ")
 OR { 4800}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "57  " and name "HN  ")
 OR { 4800}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "57  " and name "HN  ")
 ASSI { 5177}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "65  " and name "HN  ")
      6.000     6.000     0.000 peak  5177 weight  0.10000E+01 volume  0.10700E+00 ppm1      2.451 ppm2      7.919
 ASSI { 5190}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HA  ")
      6.000     6.000     0.000 peak  5190 weight  0.10000E+01 volume  0.10400E+00 ppm1      2.375 ppm2      4.434
 ASSI { 2087}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "16  " and name "HA  ")
      6.000     6.000     0.000 peak  2087 weight  0.10000E+01 volume  0.11200E+00 ppm1      0.583 ppm2      5.163
 OR { 2087}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 2087}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 2087}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "45  " and name "HA  ")
 OR { 2087}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "45  " and name "HA  ")
 OR { 2087}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "45  " and name "HA  ")
 OR { 2087}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "14  " and name "HA  ")
 OR { 2087}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "14  " and name "HA  ")
 OR { 2087}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "14  " and name "HA  ")
 OR { 2087}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "45  " and name "HA  ")
 OR { 2087}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "45  " and name "HA  ")
 OR { 2087}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "45  " and name "HA  ")
 OR { 2087}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 2087}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 2087}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 2087}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "14  " and name "HA  ")
 OR { 2087}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "14  " and name "HA  ")
 OR { 2087}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "14  " and name "HA  ")
 ASSI { 2084}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "1   " and name "HG1 ")
      5.000     5.000     0.000 peak  2084 weight  0.10000E+01 volume  0.36400E+00 ppm1      0.581 ppm2      2.514
 OR { 2084}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "1   " and name "HG1 ")
 OR { 2084}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "1   " and name "HG1 ")
 ASSI { 2088}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "17  " and name "HN  ")
      6.000     6.000     0.000 peak  2088 weight  0.10000E+01 volume  0.16400E+00 ppm1      0.584 ppm2      8.290
 OR { 2088}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "17  " and name "HN  ")
 OR { 2088}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "17  " and name "HN  ")
 ASSI { 2089}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "4   " and name "HN  ")
      6.000     6.000     0.000 peak  2089 weight  0.10000E+01 volume  0.18100E+00 ppm1      0.582 ppm2      8.409
 OR { 2089}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "4   " and name "HN  ")
 OR { 2089}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "4   " and name "HN  ")
 OR { 2089}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "4   " and name "HN  ")
 OR { 2089}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "63  " and name "HN  ")
 OR { 2089}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "4   " and name "HN  ")
 OR { 2089}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "23  " and name "HN  ")
 OR { 2089}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "4   " and name "HN  ")
 OR { 2089}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "23  " and name "HN  ")
 OR { 2089}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "23  " and name "HN  ")
 OR { 2089}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "63  " and name "HN  ")
 OR { 2089}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "63  " and name "HN  ")
 OR { 2089}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "63  " and name "HN  ")
 OR { 2089}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "63  " and name "HN  ")
 OR { 2089}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "63  " and name "HN  ")
 OR { 2089}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "23  " and name "HN  ")
 OR { 2089}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "23  " and name "HN  ")
 OR { 2089}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "23  " and name "HN  ")
 ASSI { 2090}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "3   " and name "HN  ")
      5.000     5.000     0.000 peak  2090 weight  0.10000E+01 volume  0.52300E+00 ppm1      0.583 ppm2      8.766
 OR { 2090}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "3   " and name "HN  ")
 OR { 2090}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "3   " and name "HN  ")
 OR { 2090}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 2090}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 2090}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 2090}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "2   " and name "HN  ")
 OR { 2090}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "2   " and name "HN  ")
 OR { 2090}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "2   " and name "HN  ")
 ASSI { 2053}
     (segid "    " and resid "3   " and name "HG  ")
     (segid "    " and resid "3   " and name "HD13")
      2.700     2.700     0.000 peak  2053 weight  0.10000E+01 volume  0.10423E+02 ppm1      1.406 ppm2      0.584
 OR { 2053}
     (segid "    " and resid "3   " and name "HG  ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 2053}
     (segid "    " and resid "3   " and name "HG  ")
     (segid "    " and resid "3   " and name "HD11")
 ASSI { 3370}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "41  " and name "HE21")
      6.000     6.000     0.000 peak  3370 weight  0.10000E+01 volume  0.79000E-01 ppm1      1.452 ppm2      6.706
 ASSI { 3366}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "38  " and name "HA  ")
      5.000     5.000     0.000 peak  3366 weight  0.10000E+01 volume  0.41000E+00 ppm1      1.480 ppm2      4.047
 OR { 3366}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HA  ")
 OR { 3366}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 3366}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 3354}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "27  " and name "HE1 ")
      5.000     5.000     0.000 peak  3354 weight  0.10000E+01 volume  0.79800E+00 ppm1      1.480 ppm2      2.751
 OR { 3354}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HE1 ")
 ASSI { 3351}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "27  " and name "HN  ")
      5.000     5.000     0.000 peak  3351 weight  0.10000E+01 volume  0.10340E+01 ppm1      1.482 ppm2      8.552
 OR { 3351}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HN  ")
 ASSI { 3357}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "27  " and name "HE2 ")
      5.000     5.000     0.000 peak  3357 weight  0.10000E+01 volume  0.70400E+00 ppm1      1.481 ppm2      2.593
 OR { 3357}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HE2 ")
 ASSI { 3363}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "24  " and name "HA  ")
      6.000     6.000     0.000 peak  3363 weight  0.10000E+01 volume  0.25000E+00 ppm1      1.481 ppm2      3.858
 OR { 3363}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "24  " and name "HA  ")
 ASSI { 3311}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HA  ")
      5.000     5.000     0.000 peak  3311 weight  0.10000E+01 volume  0.73900E+00 ppm1      1.482 ppm2      4.634
 OR { 3311}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "27  " and name "HA  ")
 ASSI { 3368}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "28  " and name "HN  ")
      6.000     6.000     0.000 peak  3368 weight  0.10000E+01 volume  0.17000E+00 ppm1      1.482 ppm2      8.136
 OR { 3368}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "28  " and name "HN  ")
 OR { 3368}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 3368}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HN  ")
 ASSI { 2059}
     (segid "    " and resid "3   " and name "HG  ")
     (segid "    " and resid "3   " and name "HN  ")
      5.000     5.000     0.000 peak  2059 weight  0.10000E+01 volume  0.37700E+00 ppm1      1.398 ppm2      8.762
 ASSI { 3365}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HB1 ")
      5.000     5.000     0.000 peak  3365 weight  0.10000E+01 volume  0.43000E+00 ppm1      1.480 ppm2      2.254
 OR { 3365}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "38  " and name "HB1 ")
 OR { 3365}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 3365}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HB  ")
 ASSI { 3810}
     (segid "    " and resid "3   " and name "HG  ")
     (segid "    " and resid "4   " and name "HN  ")
      6.000     6.000     0.000 peak  3810 weight  0.10000E+01 volume  0.12600E+00 ppm1      1.395 ppm2      8.399
 OR { 3810}
     (segid "    " and resid "3   " and name "HG  ")
     (segid "    " and resid "63  " and name "HN  ")
 ASSI { 2057}
     (segid "    " and resid "3   " and name "HG  ")
     (segid "    " and resid "3   " and name "HA  ")
      3.300     3.300     0.000 peak  2057 weight  0.10000E+01 volume  0.18500E+01 ppm1      1.392 ppm2      4.446
 OR { 2057}
     (segid "    " and resid "36  " and name "HG11")
     (segid "    " and resid "36  " and name "HA  ")
 OR { 2057}
     (segid "    " and resid "36  " and name "HG11")
     (segid "    " and resid "3   " and name "HA  ")
 OR { 2057}
     (segid "    " and resid "3   " and name "HG  ")
     (segid "    " and resid "36  " and name "HA  ")
 ASSI { 4248}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "27  " and name "HA  ")
      6.000     6.000     0.000 peak  4248 weight  0.10000E+01 volume  0.10400E+00 ppm1      0.797 ppm2      4.627
 OR { 4248}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 4248}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 4248}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "2   " and name "HA  ")
 OR { 4248}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "2   " and name "HA  ")
 OR { 4248}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "2   " and name "HA  ")
 OR { 4248}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 4248}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 4248}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 4248}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 4248}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 4248}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 4248}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 4248}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 4248}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 4248}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "2   " and name "HA  ")
 OR { 4248}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "2   " and name "HA  ")
 OR { 4248}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "2   " and name "HA  ")
 ASSI { 4249}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "23  " and name "HA  ")
      6.000     6.000     0.000 peak  4249 weight  0.10000E+01 volume  0.69000E-01 ppm1      0.788 ppm2      3.388
 OR { 4249}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 4249}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 4249}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 4249}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "23  " and name "HA  ")
 ASSI { 4250}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "69  " and name "HA  ")
      6.000     6.000     0.000 peak  4250 weight  0.10000E+01 volume  0.68000E-01 ppm1      0.792 ppm2      5.092
 OR { 4250}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 4250}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "69  " and name "HA  ")
 ASSI { 4246}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "50  " and name "HD22")
      6.000     6.000     0.000 peak  4246 weight  0.10000E+01 volume  0.43000E-01 ppm1      0.792 ppm2      0.038
 OR { 4246}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "50  " and name "HD23")
 OR { 4246}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "50  " and name "HD21")
 OR { 4246}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "50  " and name "HD21")
 OR { 4246}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "50  " and name "HD22")
 OR { 4246}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "50  " and name "HD23")
 OR { 4246}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "50  " and name "HD23")
 OR { 4246}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "50  " and name "HD22")
 OR { 4246}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "50  " and name "HD21")
 ASSI {  553}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "50  " and name "HD12")
      5.000     5.000     0.000 peak   553 weight  0.10000E+01 volume  0.30300E+00 ppm1      0.797 ppm2      0.472
 OR {  553}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "50  " and name "HD13")
 OR {  553}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "50  " and name "HD13")
 OR {  553}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "50  " and name "HD11")
 OR {  553}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "50  " and name "HD13")
 OR {  553}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "50  " and name "HD12")
 OR {  553}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "50  " and name "HD11")
 OR {  553}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "50  " and name "HD11")
 OR {  553}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "50  " and name "HD12")
 ASSI { 4236}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "42  " and name "HA  ")
      6.000     6.000     0.000 peak  4236 weight  0.10000E+01 volume  0.23700E+00 ppm1      0.802 ppm2      4.464
 OR { 4236}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "42  " and name "HA  ")
 OR { 4236}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "42  " and name "HA  ")
 OR { 4236}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "39  " and name "HA  ")
 OR { 4236}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "39  " and name "HA  ")
 OR { 4236}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "3   " and name "HA  ")
 OR { 4236}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "3   " and name "HA  ")
 OR { 4236}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "39  " and name "HA  ")
 OR { 4236}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "3   " and name "HA  ")
 ASSI { 4245}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "27  " and name "HN  ")
      6.000     6.000     0.000 peak  4245 weight  0.10000E+01 volume  0.24700E+00 ppm1      0.801 ppm2      8.570
 OR { 4245}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "27  " and name "HN  ")
 OR { 4245}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "27  " and name "HN  ")
 OR { 4245}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "50  " and name "HN  ")
 OR { 4245}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "50  " and name "HN  ")
 OR { 4245}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "50  " and name "HN  ")
 OR { 4245}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "27  " and name "HN  ")
 OR { 4245}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "27  " and name "HN  ")
 OR { 4245}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "50  " and name "HN  ")
 OR { 4245}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "50  " and name "HN  ")
 ASSI { 4241}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "26  " and name "HB1 ")
      5.000     5.000     0.000 peak  4241 weight  0.10000E+01 volume  0.35200E+00 ppm1      0.800 ppm2      2.367
 OR { 4241}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 4241}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 4241}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 4241}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 4241}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "26  " and name "HB1 ")
 ASSI { 4238}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "27  " and name "HE1 ")
      5.000     5.000     0.000 peak  4238 weight  0.10000E+01 volume  0.66400E+00 ppm1      0.799 ppm2      2.742
 OR { 4238}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 4238}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 4238}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "27  " and name "HE1 ")
 OR { 4238}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "27  " and name "HE1 ")
 OR { 4238}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 4238}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 4238}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "27  " and name "HE1 ")
 OR { 4238}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 4238}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 4238}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "27  " and name "HE1 ")
 OR { 4238}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "27  " and name "HE1 ")
 ASSI { 4234}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "43  " and name "HN  ")
      5.000     5.000     0.000 peak  4234 weight  0.10000E+01 volume  0.60800E+00 ppm1      0.800 ppm2      8.975
 OR { 4234}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "43  " and name "HN  ")
 OR { 4234}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "43  " and name "HN  ")
 ASSI { 4247}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "23  " and name "HB  ")
      6.000     6.000     0.000 peak  4247 weight  0.10000E+01 volume  0.13800E+00 ppm1      0.793 ppm2      2.227
 OR { 4247}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "18  " and name "HG2 ")
 OR { 4247}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "18  " and name "HG2 ")
 OR { 4247}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 4247}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "23  " and name "HB  ")
 OR { 4247}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 4247}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "23  " and name "HB  ")
 OR { 4247}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 4247}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "18  " and name "HB1 ")
 OR { 4247}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "49  " and name "HG1 ")
 OR { 4247}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "18  " and name "HG2 ")
 OR { 4247}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 4247}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "38  " and name "HB1 ")
 OR { 4247}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "38  " and name "HB1 ")
 OR { 4247}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 4247}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "38  " and name "HB1 ")
 OR { 4247}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "18  " and name "HB1 ")
 OR { 4247}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "49  " and name "HG1 ")
 OR { 4247}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "18  " and name "HB1 ")
 OR { 4247}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "49  " and name "HG1 ")
 OR { 4247}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 4247}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 4247}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "23  " and name "HB  ")
 OR { 4247}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "23  " and name "HB  ")
 OR { 4247}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 4247}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "23  " and name "HB  ")
 OR { 4247}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 4247}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "38  " and name "HB1 ")
 OR { 4247}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "38  " and name "HB1 ")
 OR { 4247}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "38  " and name "HB1 ")
 OR { 4247}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "18  " and name "HG2 ")
 OR { 4247}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "18  " and name "HG2 ")
 OR { 4247}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 4247}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "18  " and name "HG2 ")
 OR { 4247}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 4247}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 4247}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "18  " and name "HB1 ")
 OR { 4247}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "49  " and name "HG1 ")
 OR { 4247}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "49  " and name "HG1 ")
 OR { 4247}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "18  " and name "HB1 ")
 OR { 4247}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "18  " and name "HB1 ")
 OR { 4247}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "49  " and name "HG1 ")
 ASSI { 3819}
     (segid "    " and resid "36  " and name "HG12")
     (segid "    " and resid "36  " and name "HN  ")
      5.000     5.000     0.000 peak  3819 weight  0.10000E+01 volume  0.87800E+00 ppm1      1.114 ppm2      6.196
 ASSI { 3824}
     (segid "    " and resid "36  " and name "HG12")
     (segid "    " and resid "41  " and name "HG1 ")
      6.000     6.000     0.000 peak  3824 weight  0.10000E+01 volume  0.14000E+00 ppm1      1.119 ppm2      2.493
 OR { 3824}
     (segid "    " and resid "36  " and name "HG12")
     (segid "    " and resid "40  " and name "HB1 ")
 ASSI { 3790}
     (segid "    " and resid "36  " and name "HG11")
     (segid "    " and resid "37  " and name "HD2 ")
      6.000     6.000     0.000 peak  3790 weight  0.10000E+01 volume  0.24300E+00 ppm1      1.393 ppm2      3.565
 ASSI { 2055}
     (segid "    " and resid "36  " and name "HG11")
     (segid "    " and resid "36  " and name "HN  ")
      3.300     3.300     0.000 peak  2055 weight  0.10000E+01 volume  0.17070E+01 ppm1      1.393 ppm2      6.197
 ASSI { 3822}
     (segid "    " and resid "36  " and name "HG12")
     (segid "    " and resid "37  " and name "HD1 ")
      6.000     6.000     0.000 peak  3822 weight  0.10000E+01 volume  0.24800E+00 ppm1      1.117 ppm2      4.170
 OR { 3822}
     (segid "    " and resid "36  " and name "HG12")
     (segid "    " and resid "35  " and name "HA1 ")
 ASSI { 3809}
     (segid "    " and resid "36  " and name "HG11")
     (segid "    " and resid "35  " and name "HA1 ")
      5.000     5.000     0.000 peak  3809 weight  0.10000E+01 volume  0.31500E+00 ppm1      1.396 ppm2      4.169
 OR { 3809}
     (segid "    " and resid "36  " and name "HG11")
     (segid "    " and resid "37  " and name "HD1 ")
 ASSI { 4528}
     (segid "    " and resid "50  " and name "HG  ")
     (segid "    " and resid "51  " and name "HN  ")
      6.000     6.000     0.000 peak  4528 weight  0.10000E+01 volume  0.13600E+00 ppm1      1.039 ppm2      8.207
 OR { 4528}
     (segid "    " and resid "50  " and name "HG  ")
     (segid "    " and resid "52  " and name "HN  ")
 ASSI { 3820}
     (segid "    " and resid "36  " and name "HG12")
     (segid "    " and resid "34  " and name "HG1 ")
      5.000     5.000     0.000 peak  3820 weight  0.10000E+01 volume  0.58500E+00 ppm1      1.114 ppm2      2.131
 OR { 3820}
     (segid "    " and resid "36  " and name "HG12")
     (segid "    " and resid "34  " and name "HB1 ")
 OR { 3820}
     (segid "    " and resid "36  " and name "HG12")
     (segid "    " and resid "34  " and name "HG2 ")
 OR { 3820}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "70  " and name "HB  ")
 OR { 3820}
     (segid "    " and resid "36  " and name "HG12")
     (segid "    " and resid "70  " and name "HB  ")
 OR { 3820}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "34  " and name "HG2 ")
 OR { 3820}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 3820}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "34  " and name "HB1 ")
 ASSI { 2529}
     (segid "    " and resid "13  " and name "HG  ")
     (segid "    " and resid "5   " and name "HN  ")
      6.000     6.000     0.000 peak  2529 weight  0.10000E+01 volume  0.12500E+00 ppm1      1.680 ppm2      9.211
 ASSI { 2776}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "23  " and name "HA  ")
      6.000     6.000     0.000 peak  2776 weight  0.10000E+01 volume  0.11700E+00 ppm1      0.748 ppm2      3.387
 OR { 2776}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 2776}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "23  " and name "HA  ")
 ASSI { 2521}
     (segid "    " and resid "13  " and name "HG  ")
     (segid "    " and resid "13  " and name "HN  ")
      5.000     5.000     0.000 peak  2521 weight  0.10000E+01 volume  0.97500E+00 ppm1      1.677 ppm2      9.687
 ASSI { 2522}
     (segid "    " and resid "13  " and name "HG  ")
     (segid "    " and resid "12  " and name "HA  ")
      6.000     6.000     0.000 peak  2522 weight  0.10000E+01 volume  0.27700E+00 ppm1      1.680 ppm2      5.086
 ASSI { 2765}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "21  " and name "HB2 ")
      5.000     5.000     0.000 peak  2765 weight  0.10000E+01 volume  0.80200E+00 ppm1      0.747 ppm2      3.095
 OR { 2765}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "21  " and name "HB2 ")
 OR { 2765}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "29  " and name "HE1 ")
 OR { 2765}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "21  " and name "HB2 ")
 OR { 2765}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "29  " and name "HE1 ")
 OR { 2765}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "29  " and name "HE1 ")
 ASSI { 2779}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "16  " and name "HA  ")
      6.000     6.000     0.000 peak  2779 weight  0.10000E+01 volume  0.46000E-01 ppm1      0.747 ppm2      5.159
 OR { 2779}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 2779}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 2779}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "14  " and name "HA  ")
 OR { 2779}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "14  " and name "HA  ")
 OR { 2779}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "14  " and name "HA  ")
 ASSI { 2769}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "26  " and name "HN  ")
      5.000     5.000     0.000 peak  2769 weight  0.10000E+01 volume  0.41600E+00 ppm1      0.747 ppm2      7.737
 OR { 2769}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "26  " and name "HN  ")
 OR { 2769}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "26  " and name "HN  ")
 ASSI { 2773}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "16  " and name "HN  ")
      6.000     6.000     0.000 peak  2773 weight  0.10000E+01 volume  0.14700E+00 ppm1      0.746 ppm2      8.127
 OR { 2773}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "16  " and name "HN  ")
 OR { 2773}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "16  " and name "HN  ")
 OR { 2773}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 2773}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 2773}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 2773}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "28  " and name "HN  ")
 OR { 2773}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "28  " and name "HN  ")
 OR { 2773}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "28  " and name "HN  ")
 ASSI { 2759}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "26  " and name "HA  ")
      3.300     3.300     0.000 peak  2759 weight  0.10000E+01 volume  0.26360E+01 ppm1      0.747 ppm2      4.011
 OR { 2759}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 2759}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 2778}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "21  " and name "HN  ")
      6.000     6.000     0.000 peak  2778 weight  0.10000E+01 volume  0.15500E+00 ppm1      0.747 ppm2      7.854
 OR { 2778}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "29  " and name "HN  ")
 OR { 2778}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "21  " and name "HN  ")
 OR { 2778}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "29  " and name "HN  ")
 OR { 2778}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "29  " and name "HN  ")
 OR { 2778}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "21  " and name "HN  ")
 ASSI { 2768}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "21  " and name "HB1 ")
      5.000     5.000     0.000 peak  2768 weight  0.10000E+01 volume  0.53700E+00 ppm1      0.746 ppm2      2.720
 OR { 2768}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "21  " and name "HB1 ")
 OR { 2768}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "21  " and name "HB1 ")
 ASSI { 8910}
     (segid "    " and resid "74  " and name "HG2 ")
     (segid "    " and resid "74  " and name "HA  ")
      5.000     5.000     0.000 peak  8910 weight  0.10000E+01 volume  0.46900E+00 ppm1      1.646 ppm2      4.284
 OR { 8910}
     (segid "    " and resid "74  " and name "HG1 ")
     (segid "    " and resid "74  " and name "HA  ")
 ASSI { 8911}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "74  " and name "HN  ")
      5.000     5.000     0.000 peak  8911 weight  0.10000E+01 volume  0.39800E+00 ppm1      1.618 ppm2      8.438
 OR { 8911}
     (segid "    " and resid "74  " and name "HG1 ")
     (segid "    " and resid "74  " and name "HN  ")
 OR { 8911}
     (segid "    " and resid "74  " and name "HG2 ")
     (segid "    " and resid "75  " and name "HN  ")
 OR { 8911}
     (segid "    " and resid "74  " and name "HG2 ")
     (segid "    " and resid "74  " and name "HN  ")
 OR { 8911}
     (segid "    " and resid "74  " and name "HG1 ")
     (segid "    " and resid "75  " and name "HN  ")
 OR { 8911}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "75  " and name "HN  ")
 ASSI { 2766}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "26  " and name "HB1 ")
      5.000     5.000     0.000 peak  2766 weight  0.10000E+01 volume  0.76100E+00 ppm1      0.747 ppm2      2.368
 OR { 2766}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 2766}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "26  " and name "HB1 ")
 ASSI { 2775}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "17  " and name "HN  ")
      6.000     6.000     0.000 peak  2775 weight  0.10000E+01 volume  0.16200E+00 ppm1      0.747 ppm2      8.287
 OR { 2775}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "17  " and name "HN  ")
 OR { 2775}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "17  " and name "HN  ")
 ASSI { 4525}
     (segid "    " and resid "50  " and name "HG  ")
     (segid "    " and resid "50  " and name "HN  ")
      3.300     3.300     0.000 peak  4525 weight  0.10000E+01 volume  0.15020E+01 ppm1      1.034 ppm2      8.608
 ASSI { 2772}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "18  " and name "HN  ")
      6.000     6.000     0.000 peak  2772 weight  0.10000E+01 volume  0.21700E+00 ppm1      0.746 ppm2      9.362
 OR { 2772}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "18  " and name "HN  ")
 OR { 2772}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "18  " and name "HN  ")
 ASSI { 2763}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "17  " and name "HA  ")
      5.000     5.000     0.000 peak  2763 weight  0.10000E+01 volume  0.69200E+00 ppm1      0.746 ppm2      4.729
 OR { 2763}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "17  " and name "HA  ")
 OR { 2763}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "17  " and name "HA  ")
 ASSI { 2770}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "25  " and name "HB1 ")
      5.000     5.000     0.000 peak  2770 weight  0.10000E+01 volume  0.42200E+00 ppm1      0.747 ppm2      2.842
 OR { 2770}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 2770}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "25  " and name "HB1 ")
 ASSI { 2777}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "25  " and name "HA  ")
      6.000     6.000     0.000 peak  2777 weight  0.10000E+01 volume  0.10600E+00 ppm1      0.748 ppm2      4.565
 OR { 2777}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "15  " and name "HA  ")
 OR { 2777}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "15  " and name "HA  ")
 OR { 2777}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "15  " and name "HA  ")
 OR { 2777}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "25  " and name "HA  ")
 OR { 2777}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "25  " and name "HA  ")
 OR { 2777}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 2777}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 2777}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "22  " and name "HB  ")
 ASSI { 4530}
     (segid "    " and resid "50  " and name "HG  ")
     (segid "    " and resid "59  " and name "HD1 ")
      6.000     6.000     0.000 peak  4530 weight  0.10000E+01 volume  0.55000E-01 ppm1      1.034 ppm2      7.205
 OR { 4530}
     (segid "    " and resid "50  " and name "HG  ")
     (segid "    " and resid "59  " and name "HD2 ")
 ASSI { 2244}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "56  " and name "HD13")
      2.700     2.700     0.000 peak  2244 weight  0.10000E+01 volume  0.39470E+01 ppm1      1.687 ppm2      0.700
 OR { 2244}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 2244}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "56  " and name "HD12")
 ASSI { 4531}
     (segid "    " and resid "50  " and name "HG  ")
     (segid "    " and resid "45  " and name "HB1 ")
      6.000     6.000     0.000 peak  4531 weight  0.10000E+01 volume  0.10500E+00 ppm1      1.026 ppm2      2.927
 ASSI { 8860}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "73  " and name "HN  ")
      5.000     5.000     0.000 peak  8860 weight  0.10000E+01 volume  0.67500E+00 ppm1      1.612 ppm2      8.363
 OR { 8860}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "23  " and name "HN  ")
 OR { 8860}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "73  " and name "HN  ")
 OR { 8860}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "23  " and name "HN  ")
 ASSI { 8861}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "55  " and name "HN  ")
      6.000     6.000     0.000 peak  8861 weight  0.10000E+01 volume  0.25500E+00 ppm1      1.628 ppm2      8.709
 ASSI { 2514}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "56  " and name "HD21")
      3.300     3.300     0.000 peak  2514 weight  0.10000E+01 volume  0.25120E+01 ppm1      1.693 ppm2      0.555
 OR { 2514}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 2514}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "56  " and name "HD23")
 ASSI { 3276}
     (segid "    " and resid "26  " and name "HG  ")
     (segid "    " and resid "23  " and name "HA  ")
      6.000     6.000     0.000 peak  3276 weight  0.10000E+01 volume  0.18700E+00 ppm1      1.472 ppm2      3.386
 OR { 3276}
     (segid "    " and resid "43  " and name "HG  ")
     (segid "    " and resid "23  " and name "HA  ")
 ASSI { 4686}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "51  " and name "HN  ")
      6.000     6.000     0.000 peak  4686 weight  0.10000E+01 volume  0.16000E+00 ppm1      1.638 ppm2      8.205
 OR { 4686}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "52  " and name "HN  ")
 ASSI { 4445}
     (segid "    " and resid "50  " and name "HG  ")
     (segid "    " and resid "45  " and name "HB2 ")
      6.000     6.000     0.000 peak  4445 weight  0.10000E+01 volume  0.10400E+00 ppm1      1.035 ppm2      2.774
 ASSI { 3270}
     (segid "    " and resid "26  " and name "HG  ")
     (segid "    " and resid "26  " and name "HN  ")
      5.000     5.000     0.000 peak  3270 weight  0.10000E+01 volume  0.30000E+00 ppm1      1.473 ppm2      7.738
 ASSI { 4680}
     (segid "    " and resid "74  " and name "HG1 ")
     (segid "    " and resid "74  " and name "HD2 ")
      3.300     3.300     0.000 peak  4680 weight  0.10000E+01 volume  0.27760E+01 ppm1      1.636 ppm2      3.190
 OR { 4680}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "54  " and name "HD1 ")
 OR { 4680}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "54  " and name "HD2 ")
 OR { 4680}
     (segid "    " and resid "74  " and name "HG2 ")
     (segid "    " and resid "74  " and name "HD1 ")
 OR { 4680}
     (segid "    " and resid "74  " and name "HG1 ")
     (segid "    " and resid "74  " and name "HD1 ")
 OR { 4680}
     (segid "    " and resid "74  " and name "HG2 ")
     (segid "    " and resid "74  " and name "HD2 ")
 OR { 4680}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "74  " and name "HD2 ")
 OR { 4680}
     (segid "    " and resid "74  " and name "HG1 ")
     (segid "    " and resid "54  " and name "HD1 ")
 OR { 4680}
     (segid "    " and resid "74  " and name "HG1 ")
     (segid "    " and resid "54  " and name "HD2 ")
 OR { 4680}
     (segid "    " and resid "74  " and name "HG2 ")
     (segid "    " and resid "54  " and name "HD1 ")
 OR { 4680}
     (segid "    " and resid "74  " and name "HG2 ")
     (segid "    " and resid "54  " and name "HD2 ")
 OR { 4680}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "74  " and name "HD1 ")
 ASSI { 4676}
     (segid "    " and resid "54  " and name "HG1 ")
     (segid "    " and resid "58  " and name "HB2 ")
      6.000     6.000     0.000 peak  4676 weight  0.10000E+01 volume  0.92000E-01 ppm1      1.944 ppm2      2.933
 ASSI { 2310}
     (segid "    " and resid "8   " and name "HG  ")
     (segid "    " and resid "70  " and name "HG23")
      6.000     6.000     0.000 peak  2310 weight  0.10000E+01 volume  0.23400E+00 ppm1      1.870 ppm2      0.832
 OR { 2310}
     (segid "    " and resid "8   " and name "HG  ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 2310}
     (segid "    " and resid "8   " and name "HG  ")
     (segid "    " and resid "70  " and name "HG21")
 OR { 2310}
     (segid "    " and resid "8   " and name "HG  ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 2310}
     (segid "    " and resid "8   " and name "HG  ")
     (segid "    " and resid "69  " and name "HD13")
 ASSI { 3272}
     (segid "    " and resid "72  " and name "HG2 ")
     (segid "    " and resid "73  " and name "HN  ")
      6.000     6.000     0.000 peak  3272 weight  0.10000E+01 volume  0.21000E+00 ppm1      1.519 ppm2      8.358
 OR { 3272}
     (segid "    " and resid "72  " and name "HG1 ")
     (segid "    " and resid "73  " and name "HN  ")
 ASSI { 2528}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "22  " and name "HA  ")
      6.000     6.000     0.000 peak  2528 weight  0.10000E+01 volume  0.27500E+00 ppm1      1.702 ppm2      4.959
 OR { 2528}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "55  " and name "HA  ")
 ASSI { 2307}
     (segid "    " and resid "8   " and name "HG  ")
     (segid "    " and resid "8   " and name "HN  ")
      5.000     5.000     0.000 peak  2307 weight  0.10000E+01 volume  0.66600E+00 ppm1      1.872 ppm2      9.071
 ASSI { 4675}
     (segid "    " and resid "54  " and name "HG1 ")
     (segid "    " and resid "51  " and name "HN  ")
      6.000     6.000     0.000 peak  4675 weight  0.10000E+01 volume  0.15800E+00 ppm1      1.939 ppm2      8.209
 ASSI { 4273}
     (segid "    " and resid "44  " and name "HG11")
     (segid "    " and resid "44  " and name "HN  ")
      5.000     5.000     0.000 peak  4273 weight  0.10000E+01 volume  0.90300E+00 ppm1      1.366 ppm2      9.150
 OR { 4273}
     (segid "    " and resid "44  " and name "HG11")
     (segid "    " and resid "45  " and name "HN  ")
 ASSI { 4274}
     (segid "    " and resid "44  " and name "HG11")
     (segid "    " and resid "49  " and name "HA  ")
      5.000     5.000     0.000 peak  4274 weight  0.10000E+01 volume  0.50400E+00 ppm1      1.364 ppm2      4.853
 OR { 4274}
     (segid "    " and resid "44  " and name "HG11")
     (segid "    " and resid "44  " and name "HA  ")
 ASSI { 4677}
     (segid "    " and resid "54  " and name "HG1 ")
     (segid "    " and resid "50  " and name "HA  ")
      6.000     6.000     0.000 peak  4677 weight  0.10000E+01 volume  0.96000E-01 ppm1      1.945 ppm2      3.860
 ASSI { 8809}
     (segid "    " and resid "72  " and name "HG1 ")
     (segid "    " and resid "40  " and name "HA  ")
      5.000     5.000     0.000 peak  8809 weight  0.10000E+01 volume  0.76100E+00 ppm1      1.526 ppm2      4.452
 OR { 8809}
     (segid "    " and resid "72  " and name "HG2 ")
     (segid "    " and resid "40  " and name "HA  ")
 ASSI { 3259}
     (segid "    " and resid "72  " and name "HG2 ")
     (segid "    " and resid "72  " and name "HN  ")
      5.000     5.000     0.000 peak  3259 weight  0.10000E+01 volume  0.96300E+00 ppm1      1.511 ppm2      8.548
 OR { 3259}
     (segid "    " and resid "72  " and name "HG1 ")
     (segid "    " and resid "72  " and name "HN  ")
 OR { 3259}
     (segid "    " and resid "26  " and name "HG  ")
     (segid "    " and resid "27  " and name "HN  ")
 OR { 3259}
     (segid "    " and resid "26  " and name "HG  ")
     (segid "    " and resid "72  " and name "HN  ")
 OR { 3259}
     (segid "    " and resid "72  " and name "HG1 ")
     (segid "    " and resid "27  " and name "HN  ")
 OR { 3259}
     (segid "    " and resid "72  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HN  ")
 ASSI { 4279}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "44  " and name "HN  ")
      5.000     5.000     0.000 peak  4279 weight  0.10000E+01 volume  0.89000E+00 ppm1      1.075 ppm2      9.154
 OR { 4279}
     (segid "    " and resid "50  " and name "HG  ")
     (segid "    " and resid "45  " and name "HN  ")
 OR { 4279}
     (segid "    " and resid "50  " and name "HG  ")
     (segid "    " and resid "44  " and name "HN  ")
 OR { 4279}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "45  " and name "HN  ")
 ASSI { 2309}
     (segid "    " and resid "8   " and name "HG  ")
     (segid "    " and resid "70  " and name "HA  ")
      6.000     6.000     0.000 peak  2309 weight  0.10000E+01 volume  0.22300E+00 ppm1      1.880 ppm2      4.410
 ASSI { 4282}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "68  " and name "HB1 ")
      5.000     5.000     0.000 peak  4282 weight  0.10000E+01 volume  0.35900E+00 ppm1      1.077 ppm2      3.061
 OR { 4282}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "42  " and name "HD1 ")
 OR { 4282}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 4282}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "68  " and name "HB2 ")
 ASSI { 3255}
     (segid "    " and resid "72  " and name "HG2 ")
     (segid "    " and resid "72  " and name "HA  ")
      5.000     5.000     0.000 peak  3255 weight  0.10000E+01 volume  0.12450E+01 ppm1      1.514 ppm2      4.228
 OR { 3255}
     (segid "    " and resid "72  " and name "HG1 ")
     (segid "    " and resid "72  " and name "HA  ")
 ASSI { 4284}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "49  " and name "HG1 ")
      6.000     6.000     0.000 peak  4284 weight  0.10000E+01 volume  0.28500E+00 ppm1      1.083 ppm2      2.245
 OR { 4284}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 4284}
     (segid "    " and resid "50  " and name "HG  ")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 4284}
     (segid "    " and resid "50  " and name "HG  ")
     (segid "    " and resid "49  " and name "HG1 ")
 ASSI { 3252}
     (segid "    " and resid "72  " and name "HG2 ")
     (segid "    " and resid "72  " and name "HD1 ")
      2.700     2.700     0.000 peak  3252 weight  0.10000E+01 volume  0.30920E+01 ppm1      1.513 ppm2      3.140
 OR { 3252}
     (segid "    " and resid "72  " and name "HG1 ")
     (segid "    " and resid "72  " and name "HD2 ")
 OR { 3252}
     (segid "    " and resid "72  " and name "HG2 ")
     (segid "    " and resid "72  " and name "HD2 ")
 OR { 3252}
     (segid "    " and resid "72  " and name "HG1 ")
     (segid "    " and resid "72  " and name "HD1 ")
 ASSI { 4281}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "49  " and name "HA  ")
      5.000     5.000     0.000 peak  4281 weight  0.10000E+01 volume  0.87800E+00 ppm1      1.078 ppm2      4.849
 OR { 4281}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "44  " and name "HA  ")
 OR { 4281}
     (segid "    " and resid "50  " and name "HG  ")
     (segid "    " and resid "44  " and name "HA  ")
 OR { 4281}
     (segid "    " and resid "50  " and name "HG  ")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 2558}
     (segid "    " and resid "54  " and name "HG1 ")
     (segid "    " and resid "55  " and name "HN  ")
      6.000     6.000     0.000 peak  2558 weight  0.10000E+01 volume  0.21700E+00 ppm1      1.935 ppm2      8.707
 ASSI { 4285}
     (segid "    " and resid "44  " and name "HG12")
     (segid "    " and resid "43  " and name "HA  ")
      6.000     6.000     0.000 peak  4285 weight  0.10000E+01 volume  0.16300E+00 ppm1      1.084 ppm2      5.286
 OR { 4285}
     (segid "    " and resid "50  " and name "HG  ")
     (segid "    " and resid "43  " and name "HA  ")
 ASSI { 3251}
     (segid "    " and resid "42  " and name "HG1 ")
     (segid "    " and resid "42  " and name "HD2 ")
      3.300     3.300     0.000 peak  3251 weight  0.10000E+01 volume  0.25120E+01 ppm1      1.457 ppm2      3.074
 OR { 3251}
     (segid "    " and resid "42  " and name "HG1 ")
     (segid "    " and resid "42  " and name "HD1 ")
 ASSI { 4157}
     (segid "    " and resid "42  " and name "HG2 ")
     (segid "    " and resid "49  " and name "HG1 ")
      6.000     6.000     0.000 peak  4157 weight  0.10000E+01 volume  0.29300E+00 ppm1      1.288 ppm2      2.249
 OR { 4157}
     (segid "    " and resid "42  " and name "HG2 ")
     (segid "    " and resid "49  " and name "HG2 ")
 ASSI { 4681}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "54  " and name "HN  ")
      5.000     5.000     0.000 peak  4681 weight  0.10000E+01 volume  0.93400E+00 ppm1      1.633 ppm2      7.493
 ASSI { 4672}
     (segid "    " and resid "54  " and name "HG1 ")
     (segid "    " and resid "54  " and name "HN  ")
      5.000     5.000     0.000 peak  4672 weight  0.10000E+01 volume  0.58100E+00 ppm1      1.934 ppm2      7.491
 ASSI { 3256}
     (segid "    " and resid "42  " and name "HG1 ")
     (segid "    " and resid "42  " and name "HA  ")
      5.000     5.000     0.000 peak  3256 weight  0.10000E+01 volume  0.13350E+01 ppm1      1.459 ppm2      4.462
 ASSI { 4674}
     (segid "    " and resid "54  " and name "HG1 ")
     (segid "    " and resid "59  " and name "HE1 ")
      5.000     5.000     0.000 peak  4674 weight  0.10000E+01 volume  0.50800E+00 ppm1      1.937 ppm2      6.839
 OR { 4674}
     (segid "    " and resid "54  " and name "HG1 ")
     (segid "    " and resid "59  " and name "HE2 ")
 ASSI { 4155}
     (segid "    " and resid "42  " and name "HG2 ")
     (segid "    " and resid "42  " and name "HN  ")
      6.000     6.000     0.000 peak  4155 weight  0.10000E+01 volume  0.28700E+00 ppm1      1.292 ppm2      8.481
 ASSI { 3273}
     (segid "    " and resid "42  " and name "HG1 ")
     (segid "    " and resid "42  " and name "HN  ")
      5.000     5.000     0.000 peak  3273 weight  0.10000E+01 volume  0.38500E+00 ppm1      1.453 ppm2      8.479
 ASSI { 4156}
     (segid "    " and resid "42  " and name "HG2 ")
     (segid "    " and resid "43  " and name "HN  ")
      6.000     6.000     0.000 peak  4156 weight  0.10000E+01 volume  0.25900E+00 ppm1      1.293 ppm2      8.974
 ASSI { 4153}
     (segid "    " and resid "42  " and name "HG2 ")
     (segid "    " and resid "42  " and name "HA  ")
      5.000     5.000     0.000 peak  4153 weight  0.10000E+01 volume  0.72500E+00 ppm1      1.294 ppm2      4.465
 ASSI { 4275}
     (segid "    " and resid "44  " and name "HG11")
     (segid "    " and resid "43  " and name "HA  ")
      6.000     6.000     0.000 peak  4275 weight  0.10000E+01 volume  0.22200E+00 ppm1      1.369 ppm2      5.285
 ASSI { 3268}
     (segid "    " and resid "42  " and name "HG1 ")
     (segid "    " and resid "43  " and name "HN  ")
      5.000     5.000     0.000 peak  3268 weight  0.10000E+01 volume  0.44900E+00 ppm1      1.462 ppm2      8.973
 ASSI { 8745}
     (segid "    " and resid "71  " and name "HG  ")
     (segid "    " and resid "40  " and name "HA  ")
      5.000     5.000     0.000 peak  8745 weight  0.10000E+01 volume  0.38400E+00 ppm1      1.658 ppm2      4.411
 OR { 8745}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "39  " and name "HA  ")
 OR { 8745}
     (segid "    " and resid "71  " and name "HG  ")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 8745}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "20  " and name "HA  ")
 OR { 8745}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "57  " and name "HA  ")
 OR { 8745}
     (segid "    " and resid "71  " and name "HG  ")
     (segid "    " and resid "73  " and name "HA  ")
 OR { 8745}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "40  " and name "HA  ")
 OR { 8745}
     (segid "    " and resid "71  " and name "HG  ")
     (segid "    " and resid "39  " and name "HA  ")
 OR { 8745}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 8745}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "73  " and name "HA  ")
 OR { 8745}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "39  " and name "HA  ")
 OR { 8745}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "40  " and name "HA  ")
 OR { 8745}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "20  " and name "HA  ")
 OR { 8745}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 8745}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "57  " and name "HA  ")
 OR { 8745}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "73  " and name "HA  ")
 OR { 8745}
     (segid "    " and resid "71  " and name "HG  ")
     (segid "    " and resid "57  " and name "HA  ")
 OR { 8745}
     (segid "    " and resid "71  " and name "HG  ")
     (segid "    " and resid "20  " and name "HA  ")
 ASSI { 8746}
     (segid "    " and resid "71  " and name "HG  ")
     (segid "    " and resid "71  " and name "HN  ")
      5.000     5.000     0.000 peak  8746 weight  0.10000E+01 volume  0.11880E+01 ppm1      1.654 ppm2      8.072
 ASSI { 3967}
     (segid "    " and resid "71  " and name "HG  ")
     (segid "    " and resid "71  " and name "HA  ")
      5.000     5.000     0.000 peak  3967 weight  0.10000E+01 volume  0.75200E+00 ppm1      1.644 ppm2      4.856
 ASSI { 3293}
     (segid "    " and resid "26  " and name "HD23")
     (segid "    " and resid "27  " and name "HA  ")
      6.000     6.000     0.000 peak  3293 weight  0.10000E+01 volume  0.71000E-01 ppm1      0.658 ppm2      4.625
 OR { 3293}
     (segid "    " and resid "26  " and name "HD22")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 3293}
     (segid "    " and resid "26  " and name "HD21")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 3293}
     (segid "    " and resid "26  " and name "HD21")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 3293}
     (segid "    " and resid "26  " and name "HD23")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 3293}
     (segid "    " and resid "26  " and name "HD22")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 3293}
     (segid "    " and resid "26  " and name "HD22")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 3293}
     (segid "    " and resid "26  " and name "HD23")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 3293}
     (segid "    " and resid "26  " and name "HD21")
     (segid "    " and resid "22  " and name "HB  ")
 ASSI { 3291}
     (segid "    " and resid "26  " and name "HD23")
     (segid "    " and resid "27  " and name "HN  ")
      6.000     6.000     0.000 peak  3291 weight  0.10000E+01 volume  0.22200E+00 ppm1      0.656 ppm2      8.551
 OR { 3291}
     (segid "    " and resid "26  " and name "HD22")
     (segid "    " and resid "27  " and name "HN  ")
 OR { 3291}
     (segid "    " and resid "26  " and name "HD21")
     (segid "    " and resid "27  " and name "HN  ")
 ASSI { 3289}
     (segid "    " and resid "26  " and name "HD23")
     (segid "    " and resid "26  " and name "HN  ")
      5.000     5.000     0.000 peak  3289 weight  0.10000E+01 volume  0.41100E+00 ppm1      0.656 ppm2      7.736
 OR { 3289}
     (segid "    " and resid "26  " and name "HD22")
     (segid "    " and resid "26  " and name "HN  ")
 OR { 3289}
     (segid "    " and resid "26  " and name "HD21")
     (segid "    " and resid "26  " and name "HN  ")
 ASSI { 3968}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "39  " and name "HN  ")
      5.000     5.000     0.000 peak  3968 weight  0.10000E+01 volume  0.47800E+00 ppm1      1.644 ppm2      8.544
 OR { 3968}
     (segid "    " and resid "71  " and name "HG  ")
     (segid "    " and resid "72  " and name "HN  ")
 OR { 3968}
     (segid "    " and resid "71  " and name "HG  ")
     (segid "    " and resid "39  " and name "HN  ")
 OR { 3968}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "72  " and name "HN  ")
 ASSI { 3285}
     (segid "    " and resid "26  " and name "HD22")
     (segid "    " and resid "23  " and name "HA  ")
      5.000     5.000     0.000 peak  3285 weight  0.10000E+01 volume  0.56600E+00 ppm1      0.653 ppm2      3.388
 OR { 3285}
     (segid "    " and resid "26  " and name "HD23")
     (segid "    " and resid "23  " and name "HA  ")
 OR { 3285}
     (segid "    " and resid "26  " and name "HD21")
     (segid "    " and resid "23  " and name "HA  ")
 ASSI { 3288}
     (segid "    " and resid "26  " and name "HD21")
     (segid "    " and resid "50  " and name "HD21")
      5.000     5.000     0.000 peak  3288 weight  0.10000E+01 volume  0.33600E+00 ppm1      0.657 ppm2      0.036
 OR { 3288}
     (segid "    " and resid "26  " and name "HD22")
     (segid "    " and resid "50  " and name "HD21")
 OR { 3288}
     (segid "    " and resid "26  " and name "HD23")
     (segid "    " and resid "50  " and name "HD21")
 OR { 3288}
     (segid "    " and resid "26  " and name "HD22")
     (segid "    " and resid "50  " and name "HD23")
 OR { 3288}
     (segid "    " and resid "26  " and name "HD22")
     (segid "    " and resid "50  " and name "HD22")
 OR { 3288}
     (segid "    " and resid "26  " and name "HD23")
     (segid "    " and resid "50  " and name "HD22")
 OR { 3288}
     (segid "    " and resid "26  " and name "HD21")
     (segid "    " and resid "50  " and name "HD22")
 OR { 3288}
     (segid "    " and resid "26  " and name "HD23")
     (segid "    " and resid "50  " and name "HD23")
 OR { 3288}
     (segid "    " and resid "26  " and name "HD21")
     (segid "    " and resid "50  " and name "HD23")
 ASSI { 3969}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HA  ")
      5.000     5.000     0.000 peak  3969 weight  0.10000E+01 volume  0.35900E+00 ppm1      1.646 ppm2      4.618
 OR { 3969}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 3969}
     (segid "    " and resid "17  " and name "HG  ")
     (segid "    " and resid "2   " and name "HA  ")
 OR { 3969}
     (segid "    " and resid "17  " and name "HG  ")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 3969}
     (segid "    " and resid "17  " and name "HG  ")
     (segid "    " and resid "37  " and name "HA  ")
 OR { 3969}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "2   " and name "HA  ")
 ASSI { 3965}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "28  " and name "HA  ")
      5.000     5.000     0.000 peak  3965 weight  0.10000E+01 volume  0.70600E+00 ppm1      1.645 ppm2      4.191
 OR { 3965}
     (segid "    " and resid "71  " and name "HG  ")
     (segid "    " and resid "72  " and name "HA  ")
 OR { 3965}
     (segid "    " and resid "71  " and name "HG  ")
     (segid "    " and resid "37  " and name "HD1 ")
 OR { 3965}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HD1 ")
 OR { 3965}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "72  " and name "HA  ")
 OR { 3965}
     (segid "    " and resid "71  " and name "HG  ")
     (segid "    " and resid "28  " and name "HA  ")
 ASSI { 3972}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "41  " and name "HE22")
      6.000     6.000     0.000 peak  3972 weight  0.10000E+01 volume  0.64000E-01 ppm1      1.645 ppm2      6.423
 ASSI { 3970}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "41  " and name "HE21")
      6.000     6.000     0.000 peak  3970 weight  0.10000E+01 volume  0.11500E+00 ppm1      1.643 ppm2      6.703
 ASSI { 3959}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "37  " and name "HA  ")
      5.000     5.000     0.000 peak  3959 weight  0.10000E+01 volume  0.41300E+00 ppm1      2.188 ppm2      4.617
 OR { 3959}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "27  " and name "HA  ")
 ASSI { 3958}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "27  " and name "HB1 ")
      5.000     5.000     0.000 peak  3958 weight  0.10000E+01 volume  0.37800E+00 ppm1      2.190 ppm2      1.461
 OR { 3958}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "27  " and name "HG2 ")
 ASSI { 3957}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "39  " and name "HN  ")
      5.000     5.000     0.000 peak  3957 weight  0.10000E+01 volume  0.44500E+00 ppm1      2.185 ppm2      8.539
 ASSI { 3623}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HG22")
      6.000     6.000     0.000 peak  3623 weight  0.10000E+01 volume  0.12500E+00 ppm1      1.914 ppm2      0.670
 OR { 3623}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HG21")
 OR { 3623}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HG23")
 OR { 3623}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HG12")
 ASSI { 5457}
     (segid "    " and resid "69  " and name "HG  ")
     (segid "    " and resid "69  " and name "HN  ")
      6.000     6.000     0.000 peak  5457 weight  0.10000E+01 volume  0.19900E+00 ppm1      1.377 ppm2      8.335
 ASSI { 3606}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HE22")
      6.000     6.000     0.000 peak  3606 weight  0.10000E+01 volume  0.12900E+00 ppm1      2.427 ppm2      6.437
 ASSI { 3601}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "32  " and name "HN  ")
      5.000     5.000     0.000 peak  3601 weight  0.10000E+01 volume  0.14820E+01 ppm1      2.431 ppm2      8.095
 ASSI { 3572}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HB2 ")
      2.700     2.700     0.000 peak  3572 weight  0.10000E+01 volume  0.80020E+01 ppm1      2.428 ppm2      1.913
 ASSI { 3618}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HE21")
      5.000     5.000     0.000 peak  3618 weight  0.10000E+01 volume  0.44400E+00 ppm1      1.914 ppm2      6.700
 ASSI { 3622}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HN  ")
      6.000     6.000     0.000 peak  3622 weight  0.10000E+01 volume  0.11700E+00 ppm1      1.913 ppm2      6.202
 ASSI { 3613}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HD1 ")
      2.700     2.700     0.000 peak  3613 weight  0.10000E+01 volume  0.30850E+01 ppm1      1.908 ppm2      3.776
 OR { 3613}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "31  " and name "HA  ")
 ASSI { 3616}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "28  " and name "HA  ")
      5.000     5.000     0.000 peak  3616 weight  0.10000E+01 volume  0.12620E+01 ppm1      1.909 ppm2      4.181
 ASSI { 3620}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "37  " and name "HA  ")
      6.000     6.000     0.000 peak  3620 weight  0.10000E+01 volume  0.24700E+00 ppm1      1.911 ppm2      4.618
 OR { 3620}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HA  ")
 ASSI { 3621}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "31  " and name "HE21")
      6.000     6.000     0.000 peak  3621 weight  0.10000E+01 volume  0.18800E+00 ppm1      1.912 ppm2      7.625
 ASSI { 3608}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "32  " and name "HA  ")
      6.000     6.000     0.000 peak  3608 weight  0.10000E+01 volume  0.14400E+00 ppm1      2.427 ppm2      4.313
 ASSI { 3617}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "32  " and name "HN  ")
      5.000     5.000     0.000 peak  3617 weight  0.10000E+01 volume  0.89400E+00 ppm1      1.909 ppm2      8.091
 OR { 3617}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 3617}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "28  " and name "HN  ")
 ASSI { 3605}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HE21")
      6.000     6.000     0.000 peak  3605 weight  0.10000E+01 volume  0.17500E+00 ppm1      2.426 ppm2      7.629
 ASSI { 3607}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "37  " and name "HA  ")
      6.000     6.000     0.000 peak  3607 weight  0.10000E+01 volume  0.12400E+00 ppm1      2.431 ppm2      4.623
 OR { 3607}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HA  ")
 ASSI { 3604}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HE21")
      6.000     6.000     0.000 peak  3604 weight  0.10000E+01 volume  0.26300E+00 ppm1      2.428 ppm2      6.698
 ASSI { 3609}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "32  " and name "HB1 ")
      6.000     6.000     0.000 peak  3609 weight  0.10000E+01 volume  0.80000E-01 ppm1      2.426 ppm2      2.883
 ASSI { 3602}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HA  ")
      3.300     3.300     0.000 peak  3602 weight  0.10000E+01 volume  0.17580E+01 ppm1      2.433 ppm2      3.774
 OR { 3602}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HD1 ")
 ASSI { 3610}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HE22")
      6.000     6.000     0.000 peak  3610 weight  0.10000E+01 volume  0.92000E-01 ppm1      2.425 ppm2      6.815
 ASSI { 5459}
     (segid "    " and resid "69  " and name "HG  ")
     (segid "    " and resid "70  " and name "HA  ")
      6.000     6.000     0.000 peak  5459 weight  0.10000E+01 volume  0.21800E+00 ppm1      1.371 ppm2      4.413
 ASSI { 5455}
     (segid "    " and resid "69  " and name "HG  ")
     (segid "    " and resid "70  " and name "HN  ")
      5.000     5.000     0.000 peak  5455 weight  0.10000E+01 volume  0.37300E+00 ppm1      1.380 ppm2      9.234
 ASSI { 3600}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HA  ")
      3.300     3.300     0.000 peak  3600 weight  0.10000E+01 volume  0.19910E+01 ppm1      2.433 ppm2      4.183
 ASSI { 3603}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HG2 ")
      5.000     5.000     0.000 peak  3603 weight  0.10000E+01 volume  0.64400E+00 ppm1      2.433 ppm2      1.627
 OR { 3603}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HB1 ")
 OR { 3603}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HB3 ")
 OR { 3603}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HB2 ")
 ASSI { 3586}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HN  ")
      3.300     3.300     0.000 peak  3586 weight  0.10000E+01 volume  0.16990E+01 ppm1      2.428 ppm2      8.630
 ASSI { 3619}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HE22")
      5.000     5.000     0.000 peak  3619 weight  0.10000E+01 volume  0.41200E+00 ppm1      1.907 ppm2      6.436
 ASSI { 5017}
     (segid "    " and resid "61  " and name "HG  ")
     (segid "    " and resid "61  " and name "HN  ")
      5.000     5.000     0.000 peak  5017 weight  0.10000E+01 volume  0.13260E+01 ppm1      1.106 ppm2      6.816
 ASSI { 5021}
     (segid "    " and resid "61  " and name "HG  ")
     (segid "    " and resid "59  " and name "HB1 ")
      5.000     5.000     0.000 peak  5021 weight  0.10000E+01 volume  0.49700E+00 ppm1      1.105 ppm2      3.437
 ASSI { 2737}
     (segid "    " and resid "17  " and name "HG  ")
     (segid "    " and resid "17  " and name "HN  ")
      6.000     6.000     0.000 peak  2737 weight  0.10000E+01 volume  0.14200E+00 ppm1      1.684 ppm2      8.306
 ASSI { 5024}
     (segid "    " and resid "61  " and name "HG  ")
     (segid "    " and resid "62  " and name "HN  ")
      6.000     6.000     0.000 peak  5024 weight  0.10000E+01 volume  0.15400E+00 ppm1      1.103 ppm2      7.698
 ASSI { 3612}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "31  " and name "HN  ")
      3.300     3.300     0.000 peak  3612 weight  0.10000E+01 volume  0.18210E+01 ppm1      1.908 ppm2      8.631
 ASSI { 5025}
     (segid "    " and resid "61  " and name "HG  ")
     (segid "    " and resid "59  " and name "HD2 ")
      6.000     6.000     0.000 peak  5025 weight  0.10000E+01 volume  0.15300E+00 ppm1      1.100 ppm2      7.251
 OR { 5025}
     (segid "    " and resid "61  " and name "HG  ")
     (segid "    " and resid "59  " and name "HD1 ")
 ASSI { 5022}
     (segid "    " and resid "61  " and name "HG  ")
     (segid "    " and resid "45  " and name "HE1 ")
      6.000     6.000     0.000 peak  5022 weight  0.10000E+01 volume  0.23600E+00 ppm1      1.103 ppm2      7.522
 OR { 5022}
     (segid "    " and resid "61  " and name "HG  ")
     (segid "    " and resid "45  " and name "HE2 ")
 OR { 5022}
     (segid "    " and resid "61  " and name "HG  ")
     (segid "    " and resid "59  " and name "HN  ")
 ASSI { 5023}
     (segid "    " and resid "61  " and name "HG  ")
     (segid "    " and resid "45  " and name "HD1 ")
      6.000     6.000     0.000 peak  5023 weight  0.10000E+01 volume  0.29100E+00 ppm1      1.108 ppm2      7.437
 OR { 5023}
     (segid "    " and resid "61  " and name "HG  ")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 5023}
     (segid "    " and resid "61  " and name "HG  ")
     (segid "    " and resid "45  " and name "HZ  ")
 ASSI { 5458}
     (segid "    " and resid "69  " and name "HG  ")
     (segid "    " and resid "43  " and name "HA  ")
      5.000     5.000     0.000 peak  5458 weight  0.10000E+01 volume  0.38700E+00 ppm1      1.367 ppm2      5.252
 ASSI { 5020}
     (segid "    " and resid "61  " and name "HG  ")
     (segid "    " and resid "59  " and name "HB2 ")
      5.000     5.000     0.000 peak  5020 weight  0.10000E+01 volume  0.87700E+00 ppm1      1.106 ppm2      2.569
 ASSI { 2735}
     (segid "    " and resid "17  " and name "HG  ")
     (segid "    " and resid "21  " and name "HB2 ")
      5.000     5.000     0.000 peak  2735 weight  0.10000E+01 volume  0.45000E+00 ppm1      1.685 ppm2      3.086
 OR { 2735}
     (segid "    " and resid "17  " and name "HG  ")
     (segid "    " and resid "29  " and name "HE1 ")
 ASSI { 2731}
     (segid "    " and resid "17  " and name "HG  ")
     (segid "    " and resid "17  " and name "HD22")
      3.300     3.300     0.000 peak  2731 weight  0.10000E+01 volume  0.28600E+01 ppm1      1.682 ppm2      0.715
 OR { 2731}
     (segid "    " and resid "17  " and name "HG  ")
     (segid "    " and resid "17  " and name "HD21")
 OR { 2731}
     (segid "    " and resid "17  " and name "HG  ")
     (segid "    " and resid "17  " and name "HD23")
 ASSI { 2733}
     (segid "    " and resid "17  " and name "HG  ")
     (segid "    " and resid "18  " and name "HN  ")
      5.000     5.000     0.000 peak  2733 weight  0.10000E+01 volume  0.35500E+00 ppm1      1.683 ppm2      9.366
 ASSI { 2898}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "39  " and name "HA  ")
      6.000     6.000     0.000 peak  2898 weight  0.10000E+01 volume  0.12900E+00 ppm1      2.210 ppm2      4.408
 OR { 2898}
     (segid "    " and resid "19  " and name "HG1 ")
     (segid "    " and resid "57  " and name "HA  ")
 OR { 2898}
     (segid "    " and resid "19  " and name "HG1 ")
     (segid "    " and resid "20  " and name "HA  ")
 OR { 2898}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "20  " and name "HA  ")
 OR { 2898}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "57  " and name "HA  ")
 OR { 2898}
     (segid "    " and resid "19  " and name "HG1 ")
     (segid "    " and resid "39  " and name "HA  ")
 ASSI { 2895}
     (segid "    " and resid "19  " and name "HG1 ")
     (segid "    " and resid "20  " and name "HN  ")
      5.000     5.000     0.000 peak  2895 weight  0.10000E+01 volume  0.33900E+00 ppm1      2.212 ppm2      7.063
 ASSI { 2914}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "20  " and name "HN  ")
      6.000     6.000     0.000 peak  2914 weight  0.10000E+01 volume  0.16800E+00 ppm1      2.066 ppm2      7.066
 ASSI { 2316}
     (segid "    " and resid "19  " and name "HG1 ")
     (segid "    " and resid "19  " and name "HD2 ")
      2.700     2.700     0.000 peak  2316 weight  0.10000E+01 volume  0.33400E+01 ppm1      2.213 ppm2      3.801
 ASSI { 2896}
     (segid "    " and resid "19  " and name "HG1 ")
     (segid "    " and resid "18  " and name "HA  ")
      6.000     6.000     0.000 peak  2896 weight  0.10000E+01 volume  0.19400E+00 ppm1      2.212 ppm2      4.838
 ASSI { 2913}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "18  " and name "HA  ")
      6.000     6.000     0.000 peak  2913 weight  0.10000E+01 volume  0.16500E+00 ppm1      2.059 ppm2      4.836
 ASSI { 2732}
     (segid "    " and resid "17  " and name "HG  ")
     (segid "    " and resid "17  " and name "HA  ")
      5.000     5.000     0.000 peak  2732 weight  0.10000E+01 volume  0.85600E+00 ppm1      1.685 ppm2      4.728
 ASSI { 2734}
     (segid "    " and resid "17  " and name "HG  ")
     (segid "    " and resid "15  " and name "HG21")
      5.000     5.000     0.000 peak  2734 weight  0.10000E+01 volume  0.48100E+00 ppm1      1.683 ppm2      0.590
 OR { 2734}
     (segid "    " and resid "17  " and name "HG  ")
     (segid "    " and resid "15  " and name "HG23")
 OR { 2734}
     (segid "    " and resid "17  " and name "HG  ")
     (segid "    " and resid "3   " and name "HD11")
 OR { 2734}
     (segid "    " and resid "17  " and name "HG  ")
     (segid "    " and resid "3   " and name "HD13")
 OR { 2734}
     (segid "    " and resid "17  " and name "HG  ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 2734}
     (segid "    " and resid "17  " and name "HG  ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 2734}
     (segid "    " and resid "17  " and name "HG  ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 2734}
     (segid "    " and resid "17  " and name "HG  ")
     (segid "    " and resid "56  " and name "HD23")
 ASSI { 2912}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HG23")
      5.000     5.000     0.000 peak  2912 weight  0.10000E+01 volume  0.32900E+00 ppm1      2.058 ppm2      0.929
 OR { 2912}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 2912}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 2912}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "71  " and name "HD22")
 OR { 2912}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HG23")
 OR { 2912}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 2912}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 2912}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "61  " and name "HB1 ")
 OR { 2912}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "71  " and name "HD13")
 OR { 2912}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "71  " and name "HD11")
 OR { 2912}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "71  " and name "HD22")
 OR { 2912}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "71  " and name "HD12")
 OR { 2912}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "71  " and name "HD12")
 OR { 2912}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "71  " and name "HD13")
 OR { 2912}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "71  " and name "HD11")
 OR { 2912}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 2912}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 2912}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "61  " and name "HB1 ")
 OR { 2912}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HG23")
 OR { 2912}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "61  " and name "HB1 ")
 OR { 2912}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "71  " and name "HD11")
 OR { 2912}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "71  " and name "HD12")
 OR { 2912}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "71  " and name "HD13")
 OR { 2912}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "71  " and name "HD22")
 ASSI { 2902}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "37  " and name "HD1 ")
      2.700     2.700     0.000 peak  2902 weight  0.10000E+01 volume  0.41080E+01 ppm1      2.062 ppm2      4.163
 OR { 2902}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HD1 ")
 ASSI { 2911}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "40  " and name "HE21")
      5.000     5.000     0.000 peak  2911 weight  0.10000E+01 volume  0.48400E+00 ppm1      2.062 ppm2      7.671
 OR { 2911}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "40  " and name "HE21")
 OR { 2911}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "31  " and name "HE21")
 OR { 2911}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "31  " and name "HE21")
 ASSI { 2910}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "40  " and name "HE22")
      5.000     5.000     0.000 peak  2910 weight  0.10000E+01 volume  0.39300E+00 ppm1      2.051 ppm2      6.783
 OR { 2910}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "40  " and name "HE22")
 OR { 2910}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "31  " and name "HE22")
 OR { 2910}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "31  " and name "HE22")
 ASSI { 2908}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HA  ")
      5.000     5.000     0.000 peak  2908 weight  0.10000E+01 volume  0.10880E+01 ppm1      2.056 ppm2      4.457
 OR { 2908}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HA  ")
 OR { 2908}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "20  " and name "HA  ")
 OR { 2908}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "40  " and name "HA  ")
 OR { 2908}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "40  " and name "HA  ")
 OR { 2908}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HA  ")
 OR { 2908}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "20  " and name "HA  ")
 OR { 2908}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "40  " and name "HA  ")
 OR { 2908}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "20  " and name "HA  ")
 ASSI { 2916}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "39  " and name "HN  ")
      6.000     6.000     0.000 peak  2916 weight  0.10000E+01 volume  0.16600E+00 ppm1      2.062 ppm2      8.543
 OR { 2916}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "39  " and name "HN  ")
 OR { 2916}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "72  " and name "HN  ")
 OR { 2916}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "72  " and name "HN  ")
 ASSI { 5324}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "5   " and name "HA  ")
      6.000     6.000     0.000 peak  5324 weight  0.10000E+01 volume  0.90000E-01 ppm1      0.887 ppm2      4.993
 OR { 5324}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "68  " and name "HA  ")
 ASSI { 5322}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "50  " and name "HD21")
      6.000     6.000     0.000 peak  5322 weight  0.10000E+01 volume  0.11900E+00 ppm1      0.897 ppm2      0.038
 OR { 5322}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "50  " and name "HD22")
 OR { 5322}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "50  " and name "HD23")
 ASSI { 5314}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "61  " and name "HD21")
      5.000     5.000     0.000 peak  5314 weight  0.10000E+01 volume  0.56200E+00 ppm1      0.892 ppm2     -0.090
 OR { 5314}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "61  " and name "HD23")
 OR { 5314}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "61  " and name "HD22")
 ASSI { 5315}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "67  " and name "HA  ")
      5.000     5.000     0.000 peak  5315 weight  0.10000E+01 volume  0.42800E+00 ppm1      0.891 ppm2      4.623
 ASSI { 5319}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "45  " and name "HB2 ")
      6.000     6.000     0.000 peak  5319 weight  0.10000E+01 volume  0.25600E+00 ppm1      0.891 ppm2      2.763
 ASSI { 5300}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "67  " and name "HA  ")
      5.000     5.000     0.000 peak  5300 weight  0.10000E+01 volume  0.58800E+00 ppm1      1.437 ppm2      4.622
 ASSI { 5301}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "61  " and name "HD21")
      5.000     5.000     0.000 peak  5301 weight  0.10000E+01 volume  0.52100E+00 ppm1      1.443 ppm2     -0.090
 OR { 5301}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "61  " and name "HD23")
 OR { 5301}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "61  " and name "HD22")
 ASSI { 5321}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "45  " and name "HD2 ")
      6.000     6.000     0.000 peak  5321 weight  0.10000E+01 volume  0.22700E+00 ppm1      0.891 ppm2      7.398
 OR { 5321}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "45  " and name "HD1 ")
 ASSI { 5305}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "45  " and name "HA  ")
      6.000     6.000     0.000 peak  5305 weight  0.10000E+01 volume  0.18500E+00 ppm1      1.439 ppm2      5.239
 OR { 5305}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "66  " and name "HA  ")
 ASSI { 5317}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "45  " and name "HB1 ")
      5.000     5.000     0.000 peak  5317 weight  0.10000E+01 volume  0.49000E+00 ppm1      0.891 ppm2      2.929
 ASSI { 5316}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "67  " and name "HN  ")
      5.000     5.000     0.000 peak  5316 weight  0.10000E+01 volume  0.50800E+00 ppm1      0.892 ppm2      9.336
 OR { 5316}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "68  " and name "HN  ")
 ASSI { 3169}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "53  " and name "HN  ")
      6.000     6.000     0.000 peak  3169 weight  0.10000E+01 volume  0.13700E+00 ppm1      2.027 ppm2      9.973
 OR { 3169}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "53  " and name "HN  ")
 ASSI { 3170}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "25  " and name "HB2 ")
      6.000     6.000     0.000 peak  3170 weight  0.10000E+01 volume  0.85000E-01 ppm1      2.024 ppm2      3.147
 OR { 3170}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "25  " and name "HB2 ")
 ASSI { 5296}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "67  " and name "HG12")
      2.700     2.700     0.000 peak  5296 weight  0.10000E+01 volume  0.72030E+01 ppm1      1.439 ppm2      0.881
 ASSI { 5299}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "67  " and name "HN  ")
      5.000     5.000     0.000 peak  5299 weight  0.10000E+01 volume  0.92800E+00 ppm1      1.440 ppm2      9.336
 OR { 5299}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "68  " and name "HN  ")
 ASSI { 5323}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "45  " and name "HA  ")
      6.000     6.000     0.000 peak  5323 weight  0.10000E+01 volume  0.14200E+00 ppm1      0.897 ppm2      5.227
 OR { 5323}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "66  " and name "HA  ")
 ASSI { 3164}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HG21")
      6.000     6.000     0.000 peak  3164 weight  0.10000E+01 volume  0.18500E+00 ppm1      2.026 ppm2      1.245
 OR { 3164}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HG23")
 OR { 3164}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HG23")
 OR { 3164}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 3164}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 3164}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 3164}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HB2 ")
 OR { 3164}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HB2 ")
 ASSI { 5302}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "45  " and name "HB1 ")
      6.000     6.000     0.000 peak  5302 weight  0.10000E+01 volume  0.25000E+00 ppm1      1.444 ppm2      2.933
 ASSI { 5297}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "67  " and name "HD11")
      2.700     2.700     0.000 peak  5297 weight  0.10000E+01 volume  0.45130E+01 ppm1      1.440 ppm2      0.663
 OR { 5297}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "67  " and name "HD13")
 OR { 5297}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "67  " and name "HD12")
 ASSI { 3167}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG11")
      6.000     6.000     0.000 peak  3167 weight  0.10000E+01 volume  0.71000E-01 ppm1      2.018 ppm2      0.727
 OR { 3167}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 3167}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 3167}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 3167}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 3167}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 3167}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD21")
 OR { 3167}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD21")
 OR { 3167}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD23")
 OR { 3167}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 3167}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD23")
 OR { 3167}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 3167}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 3167}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 3167}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 3167}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 3167}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 3167}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD12")
 ASSI { 3159}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "24  " and name "HN  ")
      3.300     3.300     0.000 peak  3159 weight  0.10000E+01 volume  0.20770E+01 ppm1      2.020 ppm2     10.178
 OR { 3159}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "24  " and name "HN  ")
 ASSI { 5308}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "45  " and name "HB2 ")
      6.000     6.000     0.000 peak  5308 weight  0.10000E+01 volume  0.14900E+00 ppm1      1.432 ppm2      2.771
 ASSI { 5304}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "5   " and name "HA  ")
      6.000     6.000     0.000 peak  5304 weight  0.10000E+01 volume  0.15600E+00 ppm1      1.443 ppm2      4.997
 OR { 5304}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "68  " and name "HA  ")
 ASSI { 3160}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "25  " and name "HN  ")
      5.000     5.000     0.000 peak  3160 weight  0.10000E+01 volume  0.13700E+01 ppm1      2.022 ppm2      7.960
 OR { 3160}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "25  " and name "HN  ")
 ASSI { 3166}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HN  ")
      6.000     6.000     0.000 peak  3166 weight  0.10000E+01 volume  0.10000E+00 ppm1      2.015 ppm2      8.386
 OR { 3166}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HN  ")
 ASSI { 3165}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "52  " and name "HA  ")
      6.000     6.000     0.000 peak  3165 weight  0.10000E+01 volume  0.22500E+00 ppm1      2.022 ppm2      4.278
 OR { 3165}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "52  " and name "HA  ")
 ASSI { 3158}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "24  " and name "HA  ")
      2.700     2.700     0.000 peak  3158 weight  0.10000E+01 volume  0.40520E+01 ppm1      2.023 ppm2      3.856
 OR { 3158}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "24  " and name "HA  ")
 ASSI { 5310}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "50  " and name "HD21")
      6.000     6.000     0.000 peak  5310 weight  0.10000E+01 volume  0.86000E-01 ppm1      1.446 ppm2      0.039
 OR { 5310}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "50  " and name "HD22")
 OR { 5310}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "50  " and name "HD23")
 ASSI { 3480}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "16  " and name "HN  ")
      6.000     6.000     0.000 peak  3480 weight  0.10000E+01 volume  0.11000E+00 ppm1      1.778 ppm2      8.125
 OR { 3480}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "28  " and name "HN  ")
 OR { 3480}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 3480}
     (segid "    " and resid "33  " and name "HD1 ")
     (segid "    " and resid "32  " and name "HN  ")
 OR { 3480}
     (segid "    " and resid "33  " and name "HD1 ")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 3480}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "32  " and name "HN  ")
 OR { 3480}
     (segid "    " and resid "33  " and name "HD1 ")
     (segid "    " and resid "16  " and name "HN  ")
 OR { 3480}
     (segid "    " and resid "33  " and name "HD1 ")
     (segid "    " and resid "28  " and name "HN  ")
 ASSI { 3476}
     (segid "    " and resid "33  " and name "HD1 ")
     (segid "    " and resid "33  " and name "HN  ")
      6.000     6.000     0.000 peak  3476 weight  0.10000E+01 volume  0.28500E+00 ppm1      1.739 ppm2      7.356
 ASSI { 3467}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "17  " and name "HD21")
      5.000     5.000     0.000 peak  3467 weight  0.10000E+01 volume  0.40800E+00 ppm1      1.788 ppm2      0.726
 OR { 3467}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "15  " and name "HG13")
 OR { 3467}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "17  " and name "HD23")
 OR { 3467}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "15  " and name "HG11")
 OR { 3467}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 3467}
     (segid "    " and resid "33  " and name "HD1 ")
     (segid "    " and resid "15  " and name "HG13")
 OR { 3467}
     (segid "    " and resid "33  " and name "HD1 ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 3467}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 3467}
     (segid "    " and resid "33  " and name "HD1 ")
     (segid "    " and resid "15  " and name "HG11")
 OR { 3467}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 3467}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 3467}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "26  " and name "HD12")
 OR { 3467}
     (segid "    " and resid "33  " and name "HD1 ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 3467}
     (segid "    " and resid "33  " and name "HD1 ")
     (segid "    " and resid "17  " and name "HD21")
 OR { 3467}
     (segid "    " and resid "33  " and name "HD1 ")
     (segid "    " and resid "26  " and name "HD12")
 OR { 3467}
     (segid "    " and resid "33  " and name "HD1 ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 3467}
     (segid "    " and resid "33  " and name "HD1 ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 3467}
     (segid "    " and resid "33  " and name "HD1 ")
     (segid "    " and resid "17  " and name "HD23")
 ASSI { 3496}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "15  " and name "HG23")
      6.000     6.000     0.000 peak  3496 weight  0.10000E+01 volume  0.13000E+00 ppm1      1.617 ppm2      0.585
 OR { 3496}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 3496}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "15  " and name "HG21")
 OR { 3496}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "3   " and name "HD11")
 ASSI { 3481}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "29  " and name "HE1 ")
      5.000     5.000     0.000 peak  3481 weight  0.10000E+01 volume  0.10420E+01 ppm1      1.609 ppm2      3.090
 ASSI { 3488}
     (segid "    " and resid "33  " and name "HD2 ")
     (segid "    " and resid "33  " and name "HN  ")
      6.000     6.000     0.000 peak  3488 weight  0.10000E+01 volume  0.29200E+00 ppm1      1.663 ppm2      7.347
 OR { 3488}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "33  " and name "HN  ")
 ASSI { 3485}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "29  " and name "HN  ")
      6.000     6.000     0.000 peak  3485 weight  0.10000E+01 volume  0.26500E+00 ppm1      1.614 ppm2      7.862
 ASSI { 3484}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "15  " and name "HG11")
      5.000     5.000     0.000 peak  3484 weight  0.10000E+01 volume  0.69500E+00 ppm1      1.620 ppm2      0.722
 OR { 3484}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "17  " and name "HD21")
 OR { 3484}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 3484}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "17  " and name "HD23")
 OR { 3484}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 3484}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "15  " and name "HG13")
 OR { 3484}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 3484}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 3484}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "26  " and name "HD12")
 ASSI { 3494}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "26  " and name "HA  ")
      6.000     6.000     0.000 peak  3494 weight  0.10000E+01 volume  0.14600E+00 ppm1      1.611 ppm2      4.014
 ASSI { 3474}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "29  " and name "HN  ")
      6.000     6.000     0.000 peak  3474 weight  0.10000E+01 volume  0.27800E+00 ppm1      1.788 ppm2      7.865
 ASSI { 3491}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "16  " and name "HN  ")
      6.000     6.000     0.000 peak  3491 weight  0.10000E+01 volume  0.17500E+00 ppm1      1.614 ppm2      8.128
 OR { 3491}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "28  " and name "HN  ")
 OR { 3491}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 3491}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "32  " and name "HN  ")
 ASSI { 2235}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "12  " and name "HG23")
      6.000     6.000     0.000 peak  2235 weight  0.10000E+01 volume  0.19700E+00 ppm1      1.559 ppm2      1.061
 OR { 2235}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 2235}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 2235}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 2235}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 2235}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "12  " and name "HG23")
 OR { 2235}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 2235}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "69  " and name "HB2 ")
 ASSI { 2241}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "10  " and name "HA2 ")
      6.000     6.000     0.000 peak  2241 weight  0.10000E+01 volume  0.13500E+00 ppm1      1.555 ppm2      3.601
 OR { 2241}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "10  " and name "HA2 ")
 ASSI { 2240}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "12  " and name "HA  ")
      6.000     6.000     0.000 peak  2240 weight  0.10000E+01 volume  0.18800E+00 ppm1      1.561 ppm2      5.079
 OR { 2240}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "12  " and name "HA  ")
 OR { 2240}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 2240}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "69  " and name "HA  ")
 ASSI { 2231}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "66  " and name "HG22")
      5.000     5.000     0.000 peak  2231 weight  0.10000E+01 volume  0.67800E+00 ppm1      1.561 ppm2      0.904
 OR { 2231}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "66  " and name "HG22")
 OR { 2231}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "66  " and name "HG23")
 OR { 2231}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "66  " and name "HG21")
 OR { 2231}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "66  " and name "HG21")
 OR { 2231}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "66  " and name "HG23")
 ASSI { 4452}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "48  " and name "HN  ")
      6.000     6.000     0.000 peak  4452 weight  0.10000E+01 volume  0.11700E+00 ppm1      1.887 ppm2      8.080
 OR { 4452}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "48  " and name "HN  ")
 OR { 4452}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "47  " and name "HN  ")
 OR { 4452}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "47  " and name "HN  ")
 ASSI { 4449}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HE2 ")
      6.000     6.000     0.000 peak  4449 weight  0.10000E+01 volume  0.28600E+00 ppm1      1.882 ppm2      6.840
 OR { 4449}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "60  " and name "HD22")
 OR { 4449}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 4449}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 4449}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 4449}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "60  " and name "HD22")
 ASSI { 4447}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HD1 ")
      5.000     5.000     0.000 peak  4447 weight  0.10000E+01 volume  0.40300E+00 ppm1      1.886 ppm2      7.213
 OR { 4447}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 4447}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 4447}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HD2 ")
 ASSI { 2416}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "13  " and name "HD13")
      5.000     5.000     0.000 peak  2416 weight  0.10000E+01 volume  0.46500E+00 ppm1      1.640 ppm2      0.803
 OR { 2416}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 2416}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 2416}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 2416}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 2416}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 2416}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 2416}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 2416}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 2416}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 2416}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 2416}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 2416}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "69  " and name "HD21")
 OR { 2416}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 2416}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "69  " and name "HD21")
 OR { 2416}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 2416}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 2416}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 2416}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 2416}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "36  " and name "HD11")
 ASSI { 2420}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HN  ")
      6.000     6.000     0.000 peak  2420 weight  0.10000E+01 volume  0.14800E+00 ppm1      1.634 ppm2      7.275
 OR { 2420}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HN  ")
 ASSI { 4460}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HA  ")
      6.000     6.000     0.000 peak  4460 weight  0.10000E+01 volume  0.17900E+00 ppm1      1.957 ppm2      4.649
 OR { 4460}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HA  ")
 ASSI { 4461}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HG12")
      6.000     6.000     0.000 peak  4461 weight  0.10000E+01 volume  0.14500E+00 ppm1      1.952 ppm2      1.069
 OR { 4461}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HG12")
 OR { 4461}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HG  ")
 OR { 4461}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HG  ")
 OR { 4461}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HB1 ")
 OR { 4461}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HB1 ")
 ASSI { 4454}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HD11")
      5.000     5.000     0.000 peak  4454 weight  0.10000E+01 volume  0.79000E+00 ppm1      1.958 ppm2      0.662
 OR { 4454}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 4454}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 4454}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 4454}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 4454}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HD11")
 OR { 4454}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 4454}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 4454}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 4454}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 4454}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 4454}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HG23")
 ASSI { 4451}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HN  ")
      2.700     2.700     0.000 peak  4451 weight  0.10000E+01 volume  0.34910E+01 ppm1      1.957 ppm2      8.632
 OR { 4451}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "49  " and name "HN  ")
 ASSI { 4457}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "49  " and name "HE21")
      6.000     6.000     0.000 peak  4457 weight  0.10000E+01 volume  0.18700E+00 ppm1      1.957 ppm2      7.599
 OR { 4457}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HE21")
 ASSI { 4463}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "49  " and name "HE22")
      6.000     6.000     0.000 peak  4463 weight  0.10000E+01 volume  0.10600E+00 ppm1      1.957 ppm2      6.884
 OR { 4463}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HE22")
 ASSI { 2813}
     (segid "    " and resid "63  " and name "HD1 ")
     (segid "    " and resid "63  " and name "HN  ")
      6.000     6.000     0.000 peak  2813 weight  0.10000E+01 volume  0.26200E+00 ppm1      1.725 ppm2      8.417
 OR { 2813}
     (segid "    " and resid "63  " and name "HD2 ")
     (segid "    " and resid "63  " and name "HN  ")
 OR { 2813}
     (segid "    " and resid "2   " and name "HB2 ")
     (segid "    " and resid "4   " and name "HN  ")
 OR { 2813}
     (segid "    " and resid "2   " and name "HB2 ")
     (segid "    " and resid "63  " and name "HN  ")
 OR { 2813}
     (segid "    " and resid "63  " and name "HD1 ")
     (segid "    " and resid "4   " and name "HN  ")
 OR { 2813}
     (segid "    " and resid "63  " and name "HD2 ")
     (segid "    " and resid "4   " and name "HN  ")
 ASSI { 2812}
     (segid "    " and resid "18  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HD2 ")
      5.000     5.000     0.000 peak  2812 weight  0.10000E+01 volume  0.48700E+00 ppm1      1.722 ppm2      3.800
 OR { 2812}
     (segid "    " and resid "18  " and name "HB2 ")
     (segid "    " and resid "20  " and name "HB1 ")
 ASSI { 2809}
     (segid "    " and resid "18  " and name "HB2 ")
     (segid "    " and resid "21  " and name "HN  ")
      5.000     5.000     0.000 peak  2809 weight  0.10000E+01 volume  0.53300E+00 ppm1      1.725 ppm2      7.841
 ASSI { 2805}
     (segid "    " and resid "18  " and name "HB2 ")
     (segid "    " and resid "20  " and name "HN  ")
      5.000     5.000     0.000 peak  2805 weight  0.10000E+01 volume  0.80300E+00 ppm1      1.724 ppm2      7.058
 ASSI { 2804}
     (segid "    " and resid "18  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HD1 ")
      5.000     5.000     0.000 peak  2804 weight  0.10000E+01 volume  0.13220E+01 ppm1      1.723 ppm2      4.002
 OR { 2804}
     (segid "    " and resid "63  " and name "HD2 ")
     (segid "    " and resid "63  " and name "HA  ")
 OR { 2804}
     (segid "    " and resid "63  " and name "HD1 ")
     (segid "    " and resid "63  " and name "HA  ")
 OR { 2804}
     (segid "    " and resid "63  " and name "HD1 ")
     (segid "    " and resid "19  " and name "HD1 ")
 OR { 2804}
     (segid "    " and resid "63  " and name "HD2 ")
     (segid "    " and resid "19  " and name "HD1 ")
 OR { 2804}
     (segid "    " and resid "18  " and name "HB2 ")
     (segid "    " and resid "63  " and name "HA  ")
 ASSI { 2793}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "17  " and name "HA  ")
      6.000     6.000     0.000 peak  2793 weight  0.10000E+01 volume  0.12200E+00 ppm1      2.186 ppm2      4.730
 OR { 2793}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HA  ")
 ASSI { 2785}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "18  " and name "HN  ")
      5.000     5.000     0.000 peak  2785 weight  0.10000E+01 volume  0.94800E+00 ppm1      2.191 ppm2      9.362
 ASSI { 2814}
     (segid "    " and resid "2   " and name "HB2 ")
     (segid "    " and resid "64  " and name "HN  ")
      6.000     6.000     0.000 peak  2814 weight  0.10000E+01 volume  0.13900E+00 ppm1      1.726 ppm2      9.125
 OR { 2814}
     (segid "    " and resid "63  " and name "HD1 ")
     (segid "    " and resid "64  " and name "HN  ")
 OR { 2814}
     (segid "    " and resid "63  " and name "HD2 ")
     (segid "    " and resid "64  " and name "HN  ")
 ASSI { 2787}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "20  " and name "HN  ")
      5.000     5.000     0.000 peak  2787 weight  0.10000E+01 volume  0.76200E+00 ppm1      2.194 ppm2      7.058
 ASSI { 2796}
     (segid "    " and resid "18  " and name "HB2 ")
     (segid "    " and resid "18  " and name "HN  ")
      3.300     3.300     0.000 peak  2796 weight  0.10000E+01 volume  0.20700E+01 ppm1      1.725 ppm2      9.362
 ASSI { 2788}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "19  " and name "HD2 ")
      5.000     5.000     0.000 peak  2788 weight  0.10000E+01 volume  0.86700E+00 ppm1      2.189 ppm2      3.799
 OR { 2788}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HD2 ")
 OR { 2788}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "20  " and name "HB1 ")
 OR { 2788}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "20  " and name "HB1 ")
 ASSI { 3539}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "26  " and name "HG  ")
      6.000     6.000     0.000 peak  3539 weight  0.10000E+01 volume  0.15900E+00 ppm1      0.675 ppm2      1.484
 OR { 3539}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "13  " and name "HB2 ")
 OR { 3539}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "27  " and name "HG2 ")
 OR { 3539}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 3539}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "36  " and name "HB  ")
 ASSI { 8520}
     (segid "    " and resid "18  " and name "HB2 ")
     (segid "    " and resid "21  " and name "HB2 ")
      6.000     6.000     0.000 peak  8520 weight  0.10000E+01 volume  0.22100E+00 ppm1      1.723 ppm2      3.098
 ASSI { 3537}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "30  " and name "HN  ")
      5.000     5.000     0.000 peak  3537 weight  0.10000E+01 volume  0.75100E+00 ppm1      0.675 ppm2      8.100
 ASSI { 2803}
     (segid "    " and resid "18  " and name "HB2 ")
     (segid "    " and resid "18  " and name "HA  ")
      5.000     5.000     0.000 peak  2803 weight  0.10000E+01 volume  0.92600E+00 ppm1      1.723 ppm2      4.836
 ASSI { 2783}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HD1 ")
      3.300     3.300     0.000 peak  2783 weight  0.10000E+01 volume  0.16560E+01 ppm1      2.188 ppm2      3.985
 ASSI { 2103}
     (segid "    " and resid "2   " and name "HB1 ")
     (segid "    " and resid "16  " and name "HA  ")
      6.000     6.000     0.000 peak  2103 weight  0.10000E+01 volume  0.79000E-01 ppm1      1.883 ppm2      5.177
 OR { 2103}
     (segid "    " and resid "2   " and name "HB1 ")
     (segid "    " and resid "14  " and name "HA  ")
 ASSI { 2150}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "3   " and name "HD12")
      6.000     6.000     0.000 peak  2150 weight  0.10000E+01 volume  0.26200E+00 ppm1      2.156 ppm2      0.589
 OR { 2150}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "3   " and name "HD11")
 OR { 2150}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "3   " and name "HD13")
 OR { 2150}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 2150}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 2150}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 2150}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 2150}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 2150}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "15  " and name "HG21")
 OR { 2150}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "15  " and name "HG23")
 OR { 2150}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 2150}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 2150}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD13")
 OR { 2150}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 2150}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD11")
 OR { 2150}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 2150}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 2150}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 2150}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 2150}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 2150}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 2150}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 2150}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "15  " and name "HG21")
 OR { 2150}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "15  " and name "HG23")
 ASSI { 2145}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "1   " and name "HA  ")
      5.000     5.000     0.000 peak  2145 weight  0.10000E+01 volume  0.51800E+00 ppm1      2.511 ppm2      4.063
 OR { 2145}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "63  " and name "HA  ")
 ASSI { 2147}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "17  " and name "HN  ")
      6.000     6.000     0.000 peak  2147 weight  0.10000E+01 volume  0.12000E+00 ppm1      2.511 ppm2      8.295
 ASSI { 2151}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "3   " and name "HD21")
      5.000     5.000     0.000 peak  2151 weight  0.10000E+01 volume  0.55000E+00 ppm1      2.158 ppm2      0.725
 OR { 2151}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "3   " and name "HD22")
 OR { 2151}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "3   " and name "HD23")
 OR { 2151}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 2151}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 2151}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 2151}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 2151}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 2151}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 2151}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD23")
 OR { 2151}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD22")
 OR { 2151}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD21")
 ASSI { 3497}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "30  " and name "HG12")
      2.700     2.700     0.000 peak  3497 weight  0.10000E+01 volume  0.10445E+02 ppm1      1.806 ppm2      0.674
 ASSI { 3521}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "30  " and name "HN  ")
      3.300     3.300     0.000 peak  3521 weight  0.10000E+01 volume  0.20940E+01 ppm1      1.804 ppm2      8.099
 ASSI { 2148}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "2   " and name "HN  ")
      6.000     6.000     0.000 peak  2148 weight  0.10000E+01 volume  0.24900E+00 ppm1      2.514 ppm2      8.749
 OR { 2148}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "3   " and name "HN  ")
 ASSI { 2815}
     (segid "    " and resid "2   " and name "HB2 ")
     (segid "    " and resid "4   " and name "HE2 ")
      6.000     6.000     0.000 peak  2815 weight  0.10000E+01 volume  0.99000E-01 ppm1      1.730 ppm2      7.237
 OR { 2815}
     (segid "    " and resid "2   " and name "HB2 ")
     (segid "    " and resid "4   " and name "HE1 ")
 OR { 2815}
     (segid "    " and resid "2   " and name "HB2 ")
     (segid "    " and resid "4   " and name "HZ  ")
 OR { 2815}
     (segid "    " and resid "63  " and name "HD1 ")
     (segid "    " and resid "62  " and name "HE21")
 OR { 2815}
     (segid "    " and resid "63  " and name "HD2 ")
     (segid "    " and resid "62  " and name "HE21")
 OR { 2815}
     (segid "    " and resid "63  " and name "HD1 ")
     (segid "    " and resid "4   " and name "HE2 ")
 OR { 2815}
     (segid "    " and resid "63  " and name "HD1 ")
     (segid "    " and resid "4   " and name "HZ  ")
 OR { 2815}
     (segid "    " and resid "63  " and name "HD2 ")
     (segid "    " and resid "4   " and name "HE1 ")
 OR { 2815}
     (segid "    " and resid "63  " and name "HD2 ")
     (segid "    " and resid "4   " and name "HE2 ")
 OR { 2815}
     (segid "    " and resid "63  " and name "HD2 ")
     (segid "    " and resid "4   " and name "HZ  ")
 OR { 2815}
     (segid "    " and resid "63  " and name "HD1 ")
     (segid "    " and resid "4   " and name "HE1 ")
 OR { 2815}
     (segid "    " and resid "2   " and name "HB2 ")
     (segid "    " and resid "62  " and name "HE21")
 ASSI { 2139}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "3   " and name "HD21")
      5.000     5.000     0.000 peak  2139 weight  0.10000E+01 volume  0.54700E+00 ppm1      2.514 ppm2      0.728
 OR { 2139}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "3   " and name "HD23")
 OR { 2139}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "3   " and name "HD22")
 OR { 2139}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 2139}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 2139}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "56  " and name "HD13")
 ASSI { 2149}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "63  " and name "HA  ")
      5.000     5.000     0.000 peak  2149 weight  0.10000E+01 volume  0.90900E+00 ppm1      2.163 ppm2      4.076
 OR { 2149}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "1   " and name "HA  ")
 ASSI { 2152}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "3   " and name "HG  ")
      5.000     5.000     0.000 peak  2152 weight  0.10000E+01 volume  0.45200E+00 ppm1      2.160 ppm2      1.406
 ASSI { 2132}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "1   " and name "HE2 ")
      5.000     5.000     0.000 peak  2132 weight  0.10000E+01 volume  0.14440E+01 ppm1      2.516 ppm2      1.671
 OR { 2132}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 2132}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "1   " and name "HE1 ")
 ASSI { 2156}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "2   " and name "HN  ")
      5.000     5.000     0.000 peak  2156 weight  0.10000E+01 volume  0.37700E+00 ppm1      2.163 ppm2      8.748
 OR { 2156}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "3   " and name "HN  ")
 ASSI { 2140}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "3   " and name "HD11")
      6.000     6.000     0.000 peak  2140 weight  0.10000E+01 volume  0.27200E+00 ppm1      2.515 ppm2      0.592
 OR { 2140}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 2140}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "3   " and name "HD13")
 OR { 2140}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 2140}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 2140}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "61  " and name "HD12")
 ASSI { 2141}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "3   " and name "HG  ")
      5.000     5.000     0.000 peak  2141 weight  0.10000E+01 volume  0.33900E+00 ppm1      2.512 ppm2      1.399
 OR { 2141}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "3   " and name "HB2 ")
 ASSI { 2144}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "19  " and name "HD2 ")
      6.000     6.000     0.000 peak  2144 weight  0.10000E+01 volume  0.21500E+00 ppm1      2.512 ppm2      3.800
 ASSI { 4034}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "72  " and name "HN  ")
      6.000     6.000     0.000 peak  4034 weight  0.10000E+01 volume  0.19100E+00 ppm1      2.468 ppm2      8.549
 OR { 4034}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "39  " and name "HN  ")
 ASSI { 2102}
     (segid "    " and resid "2   " and name "HB1 ")
     (segid "    " and resid "1   " and name "HA  ")
      6.000     6.000     0.000 peak  2102 weight  0.10000E+01 volume  0.21700E+00 ppm1      1.884 ppm2      4.070
 OR { 2102}
     (segid "    " and resid "2   " and name "HB1 ")
     (segid "    " and resid "63  " and name "HA  ")
 ASSI { 2105}
     (segid "    " and resid "2   " and name "HB1 ")
     (segid "    " and resid "2   " and name "HN  ")
      3.300     3.300     0.000 peak  2105 weight  0.10000E+01 volume  0.17370E+01 ppm1      1.880 ppm2      8.752
 OR { 2105}
     (segid "    " and resid "2   " and name "HB1 ")
     (segid "    " and resid "3   " and name "HN  ")
 ASSI { 2104}
     (segid "    " and resid "2   " and name "HB1 ")
     (segid "    " and resid "64  " and name "HN  ")
      6.000     6.000     0.000 peak  2104 weight  0.10000E+01 volume  0.11300E+00 ppm1      1.880 ppm2      9.118
 ASSI { 4038}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "37  " and name "HD1 ")
      6.000     6.000     0.000 peak  4038 weight  0.10000E+01 volume  0.14600E+00 ppm1      2.468 ppm2      4.176
 OR { 4038}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "19  " and name "HA  ")
 OR { 4038}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 4038}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 4038}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "37  " and name "HD1 ")
 OR { 4038}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HA  ")
 ASSI { 3530}
     (segid "    " and resid "40  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HN  ")
      5.000     5.000     0.000 peak  3530 weight  0.10000E+01 volume  0.30700E+00 ppm1      1.793 ppm2      7.367
 ASSI { 2808}
     (segid "    " and resid "2   " and name "HB2 ")
     (segid "    " and resid "14  " and name "HG22")
      5.000     5.000     0.000 peak  2808 weight  0.10000E+01 volume  0.33800E+00 ppm1      1.729 ppm2      1.090
 OR { 2808}
     (segid "    " and resid "2   " and name "HB2 ")
     (segid "    " and resid "14  " and name "HG23")
 OR { 2808}
     (segid "    " and resid "2   " and name "HB2 ")
     (segid "    " and resid "14  " and name "HG21")
 ASSI { 2146}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "18  " and name "HA  ")
      6.000     6.000     0.000 peak  2146 weight  0.10000E+01 volume  0.19700E+00 ppm1      2.512 ppm2      4.835
 OR { 2146}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HA  ")
 OR { 2146}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "71  " and name "HA  ")
 OR { 2146}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "18  " and name "HA  ")
 ASSI { 3524}
     (segid "    " and resid "40  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HG21")
      3.300     3.300     0.000 peak  3524 weight  0.10000E+01 volume  0.21630E+01 ppm1      1.792 ppm2      0.932
 OR { 3524}
     (segid "    " and resid "40  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 3524}
     (segid "    " and resid "40  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HG23")
 OR { 3524}
     (segid "    " and resid "40  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD13")
 OR { 3524}
     (segid "    " and resid "40  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD11")
 ASSI { 2798}
     (segid "    " and resid "2   " and name "HB2 ")
     (segid "    " and resid "2   " and name "HN  ")
      3.300     3.300     0.000 peak  2798 weight  0.10000E+01 volume  0.17780E+01 ppm1      1.728 ppm2      8.754
 OR { 2798}
     (segid "    " and resid "2   " and name "HB2 ")
     (segid "    " and resid "3   " and name "HN  ")
 ASSI { 4028}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HN  ")
      5.000     5.000     0.000 peak  4028 weight  0.10000E+01 volume  0.97600E+00 ppm1      2.466 ppm2      7.915
 ASSI { 3534}
     (segid "    " and resid "40  " and name "HB2 ")
     (segid "    " and resid "72  " and name "HN  ")
      6.000     6.000     0.000 peak  3534 weight  0.10000E+01 volume  0.20800E+00 ppm1      1.791 ppm2      8.546
 OR { 3534}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "27  " and name "HN  ")
 OR { 3534}
     (segid "    " and resid "40  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HN  ")
 OR { 3534}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "39  " and name "HN  ")
 OR { 3534}
     (segid "    " and resid "40  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HN  ")
 OR { 3534}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "72  " and name "HN  ")
 ASSI { 2098}
     (segid "    " and resid "2   " and name "HB1 ")
     (segid "    " and resid "14  " and name "HG23")
      5.000     5.000     0.000 peak  2098 weight  0.10000E+01 volume  0.36100E+00 ppm1      1.884 ppm2      1.092
 OR { 2098}
     (segid "    " and resid "2   " and name "HB1 ")
     (segid "    " and resid "14  " and name "HG22")
 OR { 2098}
     (segid "    " and resid "2   " and name "HB1 ")
     (segid "    " and resid "14  " and name "HG21")
 ASSI { 4037}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "72  " and name "HG1 ")
      6.000     6.000     0.000 peak  4037 weight  0.10000E+01 volume  0.17700E+00 ppm1      2.476 ppm2      1.519
 OR { 4037}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "63  " and name "HG2 ")
 OR { 4037}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "72  " and name "HB2 ")
 OR { 4037}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "72  " and name "HG2 ")
 OR { 4037}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "63  " and name "HG1 ")
 OR { 4037}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "72  " and name "HG1 ")
 OR { 4037}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "72  " and name "HG2 ")
 OR { 4037}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "72  " and name "HB2 ")
 OR { 4037}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "63  " and name "HG2 ")
 OR { 4037}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "63  " and name "HG1 ")
 ASSI { 3528}
     (segid "    " and resid "40  " and name "HB2 ")
     (segid "    " and resid "37  " and name "HD2 ")
      5.000     5.000     0.000 peak  3528 weight  0.10000E+01 volume  0.93900E+00 ppm1      1.791 ppm2      3.559
 ASSI { 3522}
     (segid "    " and resid "40  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HN  ")
      3.300     3.300     0.000 peak  3522 weight  0.10000E+01 volume  0.21730E+01 ppm1      1.791 ppm2      7.913
 ASSI { 4032}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD22")
      3.300     3.300     0.000 peak  4032 weight  0.10000E+01 volume  0.15000E+01 ppm1      2.467 ppm2      0.928
 OR { 4032}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD12")
 OR { 4032}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD13")
 OR { 4032}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD21")
 OR { 4032}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD11")
 OR { 4032}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 4032}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 4032}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG23")
 ASSI { 4033}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "37  " and name "HD2 ")
      5.000     5.000     0.000 peak  4033 weight  0.10000E+01 volume  0.44700E+00 ppm1      2.464 ppm2      3.550
 ASSI { 4035}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HN  ")
      6.000     6.000     0.000 peak  4035 weight  0.10000E+01 volume  0.15400E+00 ppm1      2.466 ppm2      7.384
 ASSI { 4036}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HE21")
      6.000     6.000     0.000 peak  4036 weight  0.10000E+01 volume  0.10100E+00 ppm1      2.473 ppm2      7.679
 ASSI { 8904}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "75  " and name "HN  ")
      6.000     6.000     0.000 peak  8904 weight  0.10000E+01 volume  0.29800E+00 ppm1      1.786 ppm2      8.443
 OR { 8904}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "74  " and name "HN  ")
 ASSI { 2019}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "74  " and name "HA  ")
      5.000     5.000     0.000 peak  2019 weight  0.10000E+01 volume  0.53600E+00 ppm1      1.862 ppm2      4.282
 ASSI { 8895}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "75  " and name "HN  ")
      5.000     5.000     0.000 peak  8895 weight  0.10000E+01 volume  0.53200E+00 ppm1      1.858 ppm2      8.445
 OR { 8895}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "74  " and name "HN  ")
 OR { 8895}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "42  " and name "HN  ")
 OR { 8895}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "42  " and name "HN  ")
 OR { 8895}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "74  " and name "HN  ")
 OR { 8895}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "75  " and name "HN  ")
 ASSI { 3371}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "27  " and name "HN  ")
      5.000     5.000     0.000 peak  3371 weight  0.10000E+01 volume  0.70300E+00 ppm1      1.684 ppm2      8.549
 OR { 3371}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "27  " and name "HN  ")
 OR { 3371}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "39  " and name "HN  ")
 OR { 3371}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "39  " and name "HN  ")
 ASSI { 3362}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "23  " and name "HG13")
      5.000     5.000     0.000 peak  3362 weight  0.10000E+01 volume  0.94100E+00 ppm1      1.684 ppm2      0.728
 OR { 3362}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 3362}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 3362}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 3362}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 3362}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "23  " and name "HG13")
 ASSI { 3361}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "38  " and name "HA  ")
      5.000     5.000     0.000 peak  3361 weight  0.10000E+01 volume  0.10660E+01 ppm1      1.685 ppm2      4.063
 OR { 3361}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "38  " and name "HA  ")
 ASSI { 3360}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "24  " and name "HA  ")
      5.000     5.000     0.000 peak  3360 weight  0.10000E+01 volume  0.86100E+00 ppm1      1.683 ppm2      3.857
 OR { 3360}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "24  " and name "HA  ")
 ASSI { 7605}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "43  " and name "HD11")
      5.000     5.000     0.000 peak  7605 weight  0.10000E+01 volume  0.89000E+00 ppm1      1.684 ppm2      0.809
 OR { 7605}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 7605}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 7605}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 7605}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 7605}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 7605}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 7605}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 7605}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 7605}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 7605}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 7605}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 7605}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 7605}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 7605}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 7605}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 7605}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 7605}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 7605}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 7605}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 7605}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 7605}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "43  " and name "HD23")
 ASSI { 3373}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "28  " and name "HN  ")
      6.000     6.000     0.000 peak  3373 weight  0.10000E+01 volume  0.12900E+00 ppm1      1.694 ppm2      8.152
 OR { 3373}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "28  " and name "HN  ")
 OR { 3373}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "52  " and name "HN  ")
 OR { 3373}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "52  " and name "HN  ")
 ASSI { 3369}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "38  " and name "HB1 ")
      5.000     5.000     0.000 peak  3369 weight  0.10000E+01 volume  0.11620E+01 ppm1      1.680 ppm2      2.258
 OR { 3369}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "38  " and name "HB1 ")
 ASSI { 4072}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HE1 ")
      5.000     5.000     0.000 peak  4072 weight  0.10000E+01 volume  0.49800E+00 ppm1      1.890 ppm2      2.745
 OR { 4072}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HE1 ")
 ASSI { 4070}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HG1 ")
      3.300     3.300     0.000 peak  4070 weight  0.10000E+01 volume  0.16570E+01 ppm1      1.898 ppm2      2.518
 OR { 4070}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HG1 ")
 ASSI { 4075}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "76  " and name "HN  ")
      6.000     6.000     0.000 peak  4075 weight  0.10000E+01 volume  0.12600E+00 ppm1      1.898 ppm2      7.916
 OR { 4075}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HN  ")
 OR { 4075}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HN  ")
 OR { 4075}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HN  ")
 OR { 4075}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "76  " and name "HN  ")
 OR { 4075}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "76  " and name "HN  ")
 ASSI { 4039}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HN  ")
      3.300     3.300     0.000 peak  4039 weight  0.10000E+01 volume  0.16430E+01 ppm1      1.899 ppm2      7.369
 OR { 4039}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HN  ")
 ASSI { 4073}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "42  " and name "HN  ")
      5.000     5.000     0.000 peak  4073 weight  0.10000E+01 volume  0.60800E+00 ppm1      1.896 ppm2      8.476
 OR { 4073}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "42  " and name "HN  ")
 ASSI { 7960}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HD13")
      3.300     3.300     0.000 peak  7960 weight  0.10000E+01 volume  0.23740E+01 ppm1      1.898 ppm2      0.825
 OR { 7960}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 7960}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HD11")
 ASSI { 4074}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HE22")
      6.000     6.000     0.000 peak  4074 weight  0.10000E+01 volume  0.14800E+00 ppm1      1.910 ppm2      6.440
 OR { 4074}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HE22")
 ASSI { 2681}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HA  ")
      6.000     6.000     0.000 peak  2681 weight  0.10000E+01 volume  0.28900E+00 ppm1      1.791 ppm2      4.555
 ASSI { 2678}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "16  " and name "HA  ")
      3.300     3.300     0.000 peak  2678 weight  0.10000E+01 volume  0.15420E+01 ppm1      1.781 ppm2      5.156
 ASSI { 2641}
     (segid "    " and resid "16  " and name "HB1 ")
     (segid "    " and resid "16  " and name "HN  ")
      3.300     3.300     0.000 peak  2641 weight  0.10000E+01 volume  0.16250E+01 ppm1      1.844 ppm2      8.154
 ASSI { 2674}
     (segid "    " and resid "16  " and name "HB1 ")
     (segid "    " and resid "15  " and name "HA  ")
      6.000     6.000     0.000 peak  2674 weight  0.10000E+01 volume  0.19000E+00 ppm1      1.847 ppm2      4.571
 ASSI { 2669}
     (segid "    " and resid "16  " and name "HB1 ")
     (segid "    " and resid "16  " and name "HA  ")
      5.000     5.000     0.000 peak  2669 weight  0.10000E+01 volume  0.13290E+01 ppm1      1.853 ppm2      5.159
 ASSI { 2677}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "16  " and name "HN  ")
      5.000     5.000     0.000 peak  2677 weight  0.10000E+01 volume  0.14570E+01 ppm1      1.785 ppm2      8.152
 ASSI { 2684}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "2   " and name "HA  ")
      6.000     6.000     0.000 peak  2684 weight  0.10000E+01 volume  0.12800E+00 ppm1      1.787 ppm2      4.676
 ASSI { 2672}
     (segid "    " and resid "16  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HN  ")
      5.000     5.000     0.000 peak  2672 weight  0.10000E+01 volume  0.41300E+00 ppm1      1.847 ppm2      8.305
 ASSI { 2679}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HN  ")
      5.000     5.000     0.000 peak  2679 weight  0.10000E+01 volume  0.52700E+00 ppm1      1.786 ppm2      8.307
 OR { 2679}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HN  ")
 OR { 2679}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HN  ")
 OR { 2679}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HN  ")
 ASSI { 4146}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HN  ")
      6.000     6.000     0.000 peak  4146 weight  0.10000E+01 volume  0.20200E+00 ppm1      1.522 ppm2      8.346
 ASSI { 2675}
     (segid "    " and resid "16  " and name "HB1 ")
     (segid "    " and resid "2   " and name "HA  ")
      6.000     6.000     0.000 peak  2675 weight  0.10000E+01 volume  0.12800E+00 ppm1      1.842 ppm2      4.685
 OR { 2675}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 2675}
     (segid "    " and resid "16  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 2675}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "2   " and name "HA  ")
 ASSI { 8792}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HG2 ")
      6.000     6.000     0.000 peak  8792 weight  0.10000E+01 volume  0.25800E+00 ppm1      1.751 ppm2      2.366
 OR { 8792}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HG1 ")
 OR { 8792}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "18  " and name "HG1 ")
 OR { 8792}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HG1 ")
 OR { 8792}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "18  " and name "HG1 ")
 OR { 8792}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HG2 ")
 ASSI { 8791}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HB1 ")
      6.000     6.000     0.000 peak  8791 weight  0.10000E+01 volume  0.20900E+00 ppm1      1.752 ppm2      2.467
 ASSI { 8795}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HA  ")
      5.000     5.000     0.000 peak  8795 weight  0.10000E+01 volume  0.65900E+00 ppm1      1.750 ppm2      4.439
 ASSI { 8799}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HN  ")
      5.000     5.000     0.000 peak  8799 weight  0.10000E+01 volume  0.51400E+00 ppm1      1.751 ppm2      8.342
 ASSI { 8798}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "72  " and name "HN  ")
      5.000     5.000     0.000 peak  8798 weight  0.10000E+01 volume  0.80500E+00 ppm1      1.747 ppm2      8.549
 ASSI { 5410}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "67  " and name "HA  ")
      6.000     6.000     0.000 peak  5410 weight  0.10000E+01 volume  0.11000E+00 ppm1      3.080 ppm2      4.622
 OR { 5410}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HA  ")
 ASSI { 4143}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG11")
      5.000     5.000     0.000 peak  4143 weight  0.10000E+01 volume  0.31100E+00 ppm1      1.535 ppm2      0.934
 OR { 4143}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG13")
 OR { 4143}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG12")
 OR { 4143}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD21")
 OR { 4143}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD13")
 OR { 4143}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD11")
 OR { 4143}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD23")
 OR { 4143}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD12")
 OR { 4143}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD22")
 OR { 4143}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD11")
 OR { 4143}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD13")
 OR { 4143}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD12")
 OR { 4143}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD23")
 OR { 4143}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD12")
 OR { 4143}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD22")
 OR { 4143}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD21")
 OR { 4143}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG12")
 OR { 4143}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD11")
 OR { 4143}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG13")
 OR { 4143}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD13")
 OR { 4143}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD13")
 OR { 4143}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD12")
 OR { 4143}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG11")
 OR { 4143}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD11")
 ASSI { 4137}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "72  " and name "HN  ")
      5.000     5.000     0.000 peak  4137 weight  0.10000E+01 volume  0.10460E+01 ppm1      1.512 ppm2      8.547
 ASSI { 4149}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HA  ")
      6.000     6.000     0.000 peak  4149 weight  0.10000E+01 volume  0.99000E-01 ppm1      1.524 ppm2      4.852
 OR { 4149}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HA  ")
 OR { 4149}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HA  ")
 OR { 4149}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HA  ")
 ASSI { 5390}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "68  " and name "HA  ")
      3.300     3.300     0.000 peak  5390 weight  0.10000E+01 volume  0.22190E+01 ppm1      3.066 ppm2      5.011
 OR { 5390}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "68  " and name "HA  ")
 ASSI { 5405}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG12")
      5.000     5.000     0.000 peak  5405 weight  0.10000E+01 volume  0.45600E+00 ppm1      3.064 ppm2      0.942
 OR { 5405}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG12")
 OR { 5405}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG13")
 OR { 5405}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD23")
 OR { 5405}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD21")
 OR { 5405}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD21")
 OR { 5405}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG11")
 OR { 5405}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG13")
 OR { 5405}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG11")
 OR { 5405}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD23")
 OR { 5405}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD22")
 OR { 5405}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD22")
 OR { 5405}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "66  " and name "HG22")
 OR { 5405}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "66  " and name "HG21")
 OR { 5405}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "66  " and name "HG23")
 OR { 5405}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "66  " and name "HG22")
 OR { 5405}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "66  " and name "HG23")
 OR { 5405}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "66  " and name "HG21")
 ASSI { 4150}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HA  ")
      6.000     6.000     0.000 peak  4150 weight  0.10000E+01 volume  0.14900E+00 ppm1      1.539 ppm2      4.129
 OR { 4150}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 4133}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HA  ")
      3.300     3.300     0.000 peak  4133 weight  0.10000E+01 volume  0.19190E+01 ppm1      1.537 ppm2      4.459
 OR { 4133}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "42  " and name "HA  ")
 OR { 4133}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HA  ")
 OR { 4133}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "42  " and name "HA  ")
 ASSI { 4134}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "42  " and name "HD2 ")
      3.300     3.300     0.000 peak  4134 weight  0.10000E+01 volume  0.23290E+01 ppm1      1.530 ppm2      3.107
 OR { 4134}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "42  " and name "HD1 ")
 OR { 4134}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "72  " and name "HD1 ")
 OR { 4134}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "72  " and name "HD2 ")
 OR { 4134}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "72  " and name "HD2 ")
 OR { 4134}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "72  " and name "HD1 ")
 OR { 4134}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 4134}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "42  " and name "HD1 ")
 ASSI { 5395}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HN  ")
      5.000     5.000     0.000 peak  5395 weight  0.10000E+01 volume  0.46900E+00 ppm1      3.065 ppm2      8.336
 OR { 5395}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HN  ")
 ASSI { 4127}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HN  ")
      6.000     6.000     0.000 peak  4127 weight  0.10000E+01 volume  0.16600E+00 ppm1      1.659 ppm2      9.234
 ASSI { 4125}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HD13")
      6.000     6.000     0.000 peak  4125 weight  0.10000E+01 volume  0.17300E+00 ppm1      1.661 ppm2      0.665
 OR { 4125}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 4125}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HD11")
 OR { 4125}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HG21")
 ASSI { 4128}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "72  " and name "HA  ")
      6.000     6.000     0.000 peak  4128 weight  0.10000E+01 volume  0.14500E+00 ppm1      1.661 ppm2      4.226
 ASSI { 8625}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HD11")
      5.000     5.000     0.000 peak  8625 weight  0.10000E+01 volume  0.84400E+00 ppm1      3.068 ppm2      0.680
 OR { 8625}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 8625}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 8625}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 8625}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HD11")
 OR { 8625}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 8625}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 8625}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 8625}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 8625}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 8625}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 8625}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 8625}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "5   " and name "HG11")
 OR { 8625}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "5   " and name "HG11")
 ASSI { 4142}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HN  ")
      6.000     6.000     0.000 peak  4142 weight  0.10000E+01 volume  0.23300E+00 ppm1      1.542 ppm2      9.233
 ASSI { 4139}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HB  ")
      5.000     5.000     0.000 peak  4139 weight  0.10000E+01 volume  0.66000E+00 ppm1      1.542 ppm2      2.120
 ASSI { 5403}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HG12")
      6.000     6.000     0.000 peak  5403 weight  0.10000E+01 volume  0.25700E+00 ppm1      3.073 ppm2      1.086
 OR { 5403}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD11")
 OR { 5403}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD12")
 OR { 5403}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD12")
 OR { 5403}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HG12")
 OR { 5403}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD11")
 OR { 5403}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD13")
 OR { 5403}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD13")
 OR { 5403}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HB1 ")
 OR { 5403}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 5403}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 5403}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HB1 ")
 ASSI { 4138}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "42  " and name "HN  ")
      5.000     5.000     0.000 peak  4138 weight  0.10000E+01 volume  0.93400E+00 ppm1      1.549 ppm2      8.475
 ASSI { 5375}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HN  ")
      5.000     5.000     0.000 peak  5375 weight  0.10000E+01 volume  0.46300E+00 ppm1      3.066 ppm2      9.155
 OR { 5375}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HN  ")
 ASSI { 4145}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HD11")
      6.000     6.000     0.000 peak  4145 weight  0.10000E+01 volume  0.12400E+00 ppm1      1.540 ppm2      0.660
 OR { 4145}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 4145}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 4145}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 4145}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HG21")
 ASSI { 4136}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG22")
      5.000     5.000     0.000 peak  4136 weight  0.10000E+01 volume  0.72400E+00 ppm1      1.541 ppm2      0.828
 OR { 4136}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG23")
 OR { 4136}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG21")
 OR { 4136}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 4136}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 4136}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 4136}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 4136}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD23")
 OR { 4136}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 4136}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD23")
 OR { 4136}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 4136}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG21")
 OR { 4136}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 4136}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 4136}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 4136}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG23")
 OR { 4136}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 4136}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 4136}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 4136}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD22")
 ASSI { 1953}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG13")
      6.000     6.000     0.000 peak  1953 weight  0.10000E+01 volume  0.24300E+00 ppm1      1.657 ppm2      0.949
 OR { 1953}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG12")
 OR { 1953}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG11")
 OR { 1953}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD11")
 OR { 1953}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD13")
 ASSI { 4126}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HN  ")
      6.000     6.000     0.000 peak  4126 weight  0.10000E+01 volume  0.24200E+00 ppm1      1.663 ppm2      8.977
 ASSI { 4148}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HG1 ")
      6.000     6.000     0.000 peak  4148 weight  0.10000E+01 volume  0.15500E+00 ppm1      1.540 ppm2      2.254
 OR { 4148}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HG2 ")
 ASSI { 4147}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HG2 ")
      6.000     6.000     0.000 peak  4147 weight  0.10000E+01 volume  0.18800E+00 ppm1      1.528 ppm2      2.390
 OR { 4147}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HG1 ")
 ASSI { 5408}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "6   " and name "HB2 ")
      6.000     6.000     0.000 peak  5408 weight  0.10000E+01 volume  0.22400E+00 ppm1      3.050 ppm2      1.679
 OR { 5408}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 5408}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 5408}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "6   " and name "HB2 ")
 OR { 5408}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "42  " and name "HB1 ")
 OR { 5408}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "42  " and name "HB1 ")
 OR { 5408}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HB2 ")
 OR { 5408}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HB2 ")
 ASSI { 4123}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "42  " and name "HN  ")
      5.000     5.000     0.000 peak  4123 weight  0.10000E+01 volume  0.84400E+00 ppm1      1.660 ppm2      8.476
 ASSI { 5397}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG23")
      5.000     5.000     0.000 peak  5397 weight  0.10000E+01 volume  0.54600E+00 ppm1      3.063 ppm2      0.830
 OR { 5397}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG21")
 OR { 5397}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 5397}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 5397}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG21")
 OR { 5397}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG23")
 OR { 5397}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 5397}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 5397}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 5397}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 5397}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 5397}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 5397}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 5397}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 5397}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 5397}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD21")
 ASSI { 4144}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HN  ")
      6.000     6.000     0.000 peak  4144 weight  0.10000E+01 volume  0.21800E+00 ppm1      1.540 ppm2      8.971
 ASSI { 4124}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HB  ")
      5.000     5.000     0.000 peak  4124 weight  0.10000E+01 volume  0.58200E+00 ppm1      1.657 ppm2      2.118
 ASSI { 5391}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "68  " and name "HN  ")
      3.300     3.300     0.000 peak  5391 weight  0.10000E+01 volume  0.17860E+01 ppm1      3.068 ppm2      9.353
 OR { 5391}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "68  " and name "HN  ")
 ASSI { 4122}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG21")
      5.000     5.000     0.000 peak  4122 weight  0.10000E+01 volume  0.72300E+00 ppm1      1.657 ppm2      0.825
 OR { 4122}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 4122}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG23")
 OR { 4122}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 4122}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 4122}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 4122}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD21")
 ASSI { 5401}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HG11")
      6.000     6.000     0.000 peak  5401 weight  0.10000E+01 volume  0.28100E+00 ppm1      3.076 ppm2      1.373
 OR { 5401}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HG11")
 OR { 5401}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "6   " and name "HB1 ")
 OR { 5401}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "6   " and name "HB1 ")
 OR { 5401}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HG  ")
 OR { 5401}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HG  ")
 ASSI { 2872}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HE22")
      6.000     6.000     0.000 peak  2872 weight  0.10000E+01 volume  0.19500E+00 ppm1      2.418 ppm2      6.807
 OR { 2872}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HE22")
 OR { 2872}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HN  ")
 OR { 2872}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HE22")
 OR { 2872}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HN  ")
 OR { 2872}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HE22")
 ASSI { 3878}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HE21")
      6.000     6.000     0.000 peak  3878 weight  0.10000E+01 volume  0.17500E+00 ppm1      1.959 ppm2      7.655
 OR { 3878}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "31  " and name "HE21")
 ASSI { 3879}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HG23")
      6.000     6.000     0.000 peak  3879 weight  0.10000E+01 volume  0.20000E+00 ppm1      1.961 ppm2      0.929
 OR { 3879}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 3879}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 3879}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD12")
 OR { 3879}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD11")
 ASSI { 3877}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HA  ")
      5.000     5.000     0.000 peak  3877 weight  0.10000E+01 volume  0.30900E+00 ppm1      1.954 ppm2      4.442
 OR { 3877}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HA  ")
 OR { 3877}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HA  ")
 ASSI { 2867}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "39  " and name "HN  ")
      5.000     5.000     0.000 peak  2867 weight  0.10000E+01 volume  0.33800E+00 ppm1      2.413 ppm2      8.531
 ASSI { 3880}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "31  " and name "HE22")
      6.000     6.000     0.000 peak  3880 weight  0.10000E+01 volume  0.10600E+00 ppm1      1.950 ppm2      6.789
 OR { 3880}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HE22")
 ASSI { 3870}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HD2 ")
      5.000     5.000     0.000 peak  3870 weight  0.10000E+01 volume  0.10310E+01 ppm1      1.957 ppm2      3.735
 OR { 3870}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HD1 ")
 ASSI { 2870}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HE21")
      6.000     6.000     0.000 peak  2870 weight  0.10000E+01 volume  0.20100E+00 ppm1      2.418 ppm2      7.628
 OR { 2870}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HE21")
 ASSI { 2862}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HD2 ")
      3.300     3.300     0.000 peak  2862 weight  0.10000E+01 volume  0.24530E+01 ppm1      2.411 ppm2      3.733
 OR { 2862}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HD1 ")
 ASSI { 2876}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "57  " and name "HA  ")
      6.000     6.000     0.000 peak  2876 weight  0.10000E+01 volume  0.22700E+00 ppm1      2.419 ppm2      4.445
 OR { 2876}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "20  " and name "HA  ")
 OR { 2876}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HA  ")
 OR { 2876}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "20  " and name "HA  ")
 OR { 2876}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "57  " and name "HA  ")
 OR { 2876}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HA  ")
 ASSI { 3876}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HN  ")
      5.000     5.000     0.000 peak  3876 weight  0.10000E+01 volume  0.56500E+00 ppm1      1.954 ppm2      7.915
 ASSI { 3875}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HN  ")
      5.000     5.000     0.000 peak  3875 weight  0.10000E+01 volume  0.66600E+00 ppm1      1.960 ppm2      8.539
 ASSI { 2871}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HN  ")
      6.000     6.000     0.000 peak  2871 weight  0.10000E+01 volume  0.21100E+00 ppm1      2.418 ppm2      7.916
 ASSI { 2881}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG23")
      6.000     6.000     0.000 peak  2881 weight  0.10000E+01 volume  0.97000E-01 ppm1      2.414 ppm2      0.934
 OR { 2881}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 2881}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 2881}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HB1 ")
 OR { 2881}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD11")
 OR { 2881}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 2881}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 2881}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HB1 ")
 OR { 2881}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG23")
 OR { 2881}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD11")
 ASSI { 2884}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "57  " and name "HB2 ")
      5.000     5.000     0.000 peak  2884 weight  0.10000E+01 volume  0.12210E+01 ppm1      2.027 ppm2      3.966
 OR { 2884}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HD1 ")
 ASSI { 3881}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HB2 ")
      6.000     6.000     0.000 peak  3881 weight  0.10000E+01 volume  0.16100E+00 ppm1      1.961 ppm2      2.696
 ASSI { 2864}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "57  " and name "HB2 ")
      5.000     5.000     0.000 peak  2864 weight  0.10000E+01 volume  0.10480E+01 ppm1      2.373 ppm2      3.962
 OR { 2864}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HD1 ")
 ASSI { 2887}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "1   " and name "HE2 ")
      5.000     5.000     0.000 peak  2887 weight  0.10000E+01 volume  0.38300E+00 ppm1      2.028 ppm2      1.673
 OR { 2887}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 2887}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 2887}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HG  ")
 ASSI { 2880}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "57  " and name "HB1 ")
      3.300     3.300     0.000 peak  2880 weight  0.10000E+01 volume  0.18330E+01 ppm1      2.028 ppm2      3.784
 OR { 2880}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HD2 ")
 OR { 2880}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "20  " and name "HB1 ")
 ASSI { 2889}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "57  " and name "HN  ")
      6.000     6.000     0.000 peak  2889 weight  0.10000E+01 volume  0.16800E+00 ppm1      2.027 ppm2      8.708
 ASSI { 2886}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "20  " and name "HN  ")
      5.000     5.000     0.000 peak  2886 weight  0.10000E+01 volume  0.63000E+00 ppm1      2.029 ppm2      7.054
 ASSI { 2888}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "57  " and name "HA  ")
      5.000     5.000     0.000 peak  2888 weight  0.10000E+01 volume  0.34100E+00 ppm1      2.029 ppm2      4.402
 OR { 2888}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "20  " and name "HA  ")
 ASSI { 2868}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "57  " and name "HA  ")
      5.000     5.000     0.000 peak  2868 weight  0.10000E+01 volume  0.52100E+00 ppm1      2.370 ppm2      4.397
 OR { 2868}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "20  " and name "HA  ")
 ASSI { 2865}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "1   " and name "HE3 ")
      5.000     5.000     0.000 peak  2865 weight  0.10000E+01 volume  0.60000E+00 ppm1      2.375 ppm2      1.671
 OR { 2865}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 2865}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "1   " and name "HE2 ")
 ASSI { 2860}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HA  ")
      2.700     2.700     0.000 peak  2860 weight  0.10000E+01 volume  0.36780E+01 ppm1      2.371 ppm2      4.123
 ASSI { 2874}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "20  " and name "HN  ")
      6.000     6.000     0.000 peak  2874 weight  0.10000E+01 volume  0.26300E+00 ppm1      2.368 ppm2      7.056
 ASSI { 2863}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "57  " and name "HB1 ")
      3.300     3.300     0.000 peak  2863 weight  0.10000E+01 volume  0.19260E+01 ppm1      2.372 ppm2      3.781
 OR { 2863}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HD2 ")
 OR { 2863}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HD2 ")
 OR { 2863}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HD1 ")
 OR { 2863}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HD1 ")
 OR { 2863}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HD2 ")
 OR { 2863}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HD2 ")
 OR { 2863}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "57  " and name "HB1 ")
 ASSI { 2891}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "21  " and name "HN  ")
      6.000     6.000     0.000 peak  2891 weight  0.10000E+01 volume  0.11700E+00 ppm1      2.033 ppm2      7.856
 OR { 2891}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "58  " and name "HN  ")
 ASSI { 2892}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "18  " and name "HA  ")
      6.000     6.000     0.000 peak  2892 weight  0.10000E+01 volume  0.11400E+00 ppm1      2.029 ppm2      4.847
 OR { 2892}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "21  " and name "HA  ")
 ASSI { 2877}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "57  " and name "HN  ")
      5.000     5.000     0.000 peak  2877 weight  0.10000E+01 volume  0.32800E+00 ppm1      2.373 ppm2      8.711
 ASSI { 2883}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HB2 ")
      6.000     6.000     0.000 peak  2883 weight  0.10000E+01 volume  0.91000E-01 ppm1      2.368 ppm2      1.280
 OR { 2883}
     (segid "    " and resid "19  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HB1 ")
 ASSI { 3436}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HE2 ")
      6.000     6.000     0.000 peak  3436 weight  0.10000E+01 volume  0.22600E+00 ppm1      1.835 ppm2      3.048
 OR { 3436}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HE2 ")
 OR { 3436}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HE1 ")
 ASSI { 3437}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "32  " and name "HB1 ")
      6.000     6.000     0.000 peak  3437 weight  0.10000E+01 volume  0.76000E-01 ppm1      1.839 ppm2      2.880
 OR { 3437}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "25  " and name "HB1 ")
 ASSI { 3422}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HN  ")
      5.000     5.000     0.000 peak  3422 weight  0.10000E+01 volume  0.11820E+01 ppm1      2.134 ppm2      8.100
 ASSI { 3423}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG11")
      3.300     3.300     0.000 peak  3423 weight  0.10000E+01 volume  0.18940E+01 ppm1      2.134 ppm2      0.731
 OR { 3423}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 3423}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 3423}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG13")
 OR { 3423}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 3423}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HD12")
 OR { 3423}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 3423}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD23")
 ASSI { 3434}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HA  ")
      5.000     5.000     0.000 peak  3434 weight  0.10000E+01 volume  0.63100E+00 ppm1      1.835 ppm2      4.014
 ASSI { 3431}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HN  ")
      5.000     5.000     0.000 peak  3431 weight  0.10000E+01 volume  0.11060E+01 ppm1      1.838 ppm2      7.861
 ASSI { 3425}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG23")
      6.000     6.000     0.000 peak  3425 weight  0.10000E+01 volume  0.26600E+00 ppm1      2.132 ppm2      0.592
 OR { 3425}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 3425}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG21")
 ASSI { 2359}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD13")
      5.000     5.000     0.000 peak  2359 weight  0.10000E+01 volume  0.48900E+00 ppm1      1.835 ppm2      0.818
 OR { 2359}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD12")
 OR { 2359}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD11")
 OR { 2359}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 2359}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 2359}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 2359}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 2359}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 2359}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 2359}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 2359}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HD13")
 ASSI { 3429}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HE2 ")
      6.000     6.000     0.000 peak  3429 weight  0.10000E+01 volume  0.16400E+00 ppm1      2.143 ppm2      3.047
 OR { 3429}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HE1 ")
 ASSI { 3419}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HN  ")
      3.300     3.300     0.000 peak  3419 weight  0.10000E+01 volume  0.24130E+01 ppm1      2.135 ppm2      7.862
 ASSI { 3435}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "15  " and name "HG23")
      6.000     6.000     0.000 peak  3435 weight  0.10000E+01 volume  0.19500E+00 ppm1      1.835 ppm2      0.585
 OR { 3435}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "15  " and name "HG21")
 OR { 3435}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "15  " and name "HG22")
 ASSI { 3432}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "15  " and name "HG13")
      5.000     5.000     0.000 peak  3432 weight  0.10000E+01 volume  0.11380E+01 ppm1      1.835 ppm2      0.724
 OR { 3432}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "15  " and name "HG11")
 OR { 3432}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 3432}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 3432}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HG12")
 OR { 3432}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HD12")
 ASSI { 2018}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD13")
      5.000     5.000     0.000 peak  2018 weight  0.10000E+01 volume  0.47900E+00 ppm1      2.135 ppm2      0.829
 OR { 2018}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD12")
 OR { 2018}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD11")
 OR { 2018}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 2018}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 2018}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 2018}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 2018}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 2018}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 2018}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 2018}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 2018}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD11")
 ASSI { 3428}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HA  ")
      6.000     6.000     0.000 peak  3428 weight  0.10000E+01 volume  0.11300E+00 ppm1      2.134 ppm2      3.436
 ASSI { 3433}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HN  ")
      5.000     5.000     0.000 peak  3433 weight  0.10000E+01 volume  0.63100E+00 ppm1      1.838 ppm2      8.097
 OR { 3433}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "32  " and name "HN  ")
 ASSI { 3424}
     (segid "    " and resid "29  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HA  ")
      5.000     5.000     0.000 peak  3424 weight  0.10000E+01 volume  0.86900E+00 ppm1      2.135 ppm2      4.013
 ASSI { 4598}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HA  ")
      6.000     6.000     0.000 peak  4598 weight  0.10000E+01 volume  0.20500E+00 ppm1      1.905 ppm2      3.864
 ASSI { 4597}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "54  " and name "HD1 ")
      5.000     5.000     0.000 peak  4597 weight  0.10000E+01 volume  0.39500E+00 ppm1      1.904 ppm2      3.190
 OR { 4597}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "54  " and name "HD2 ")
 ASSI { 4586}
     (segid "    " and resid "62  " and name "HB1 ")
     (segid "    " and resid "62  " and name "HA  ")
      3.300     3.300     0.000 peak  4586 weight  0.10000E+01 volume  0.21520E+01 ppm1      2.181 ppm2      4.565
 OR { 4586}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "51  " and name "HA  ")
 OR { 4586}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "62  " and name "HA  ")
 OR { 4586}
     (segid "    " and resid "62  " and name "HB1 ")
     (segid "    " and resid "51  " and name "HA  ")
 ASSI { 4595}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "51  " and name "HN  ")
      3.300     3.300     0.000 peak  4595 weight  0.10000E+01 volume  0.18530E+01 ppm1      1.901 ppm2      8.205
 ASSI { 4599}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HE2 ")
      6.000     6.000     0.000 peak  4599 weight  0.10000E+01 volume  0.11400E+00 ppm1      1.904 ppm2      6.843
 OR { 4599}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HE1 ")
 ASSI { 4590}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "52  " and name "HN  ")
      3.300     3.300     0.000 peak  4590 weight  0.10000E+01 volume  0.18890E+01 ppm1      2.167 ppm2      8.200
 OR { 4590}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "51  " and name "HN  ")
 OR { 4590}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "52  " and name "HN  ")
 OR { 4590}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "51  " and name "HN  ")
 ASSI { 4596}
     (segid "    " and resid "51  " and name "HB2 ")
     (segid "    " and resid "51  " and name "HA  ")
      5.000     5.000     0.000 peak  4596 weight  0.10000E+01 volume  0.14130E+01 ppm1      1.913 ppm2      4.543
 ASSI { 4592}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HD1 ")
      5.000     5.000     0.000 peak  4592 weight  0.10000E+01 volume  0.33200E+00 ppm1      2.165 ppm2      3.181
 OR { 4592}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HD2 ")
 OR { 4592}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "54  " and name "HD1 ")
 OR { 4592}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "54  " and name "HD2 ")
 OR { 4592}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "25  " and name "HB2 ")
 OR { 4592}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "25  " and name "HB2 ")
 ASSI { 8237}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "24  " and name "HA  ")
      6.000     6.000     0.000 peak  8237 weight  0.10000E+01 volume  0.18000E+00 ppm1      2.172 ppm2      3.858
 OR { 8237}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HA  ")
 OR { 8237}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "50  " and name "HA  ")
 OR { 8237}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "24  " and name "HA  ")
 ASSI { 5093}
     (segid "    " and resid "62  " and name "HB2 ")
     (segid "    " and resid "62  " and name "HN  ")
      5.000     5.000     0.000 peak  5093 weight  0.10000E+01 volume  0.89900E+00 ppm1      1.834 ppm2      7.699
 ASSI { 4684}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HE2 ")
      3.300     3.300     0.000 peak  4684 weight  0.10000E+01 volume  0.21400E+01 ppm1      2.327 ppm2      6.840
 OR { 4684}
     (segid "    " and resid "54  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 4684}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 4684}
     (segid "    " and resid "54  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HE2 ")
 ASSI { 5087}
     (segid "    " and resid "62  " and name "HB1 ")
     (segid "    " and resid "62  " and name "HN  ")
      5.000     5.000     0.000 peak  5087 weight  0.10000E+01 volume  0.44300E+00 ppm1      2.211 ppm2      7.697
 OR { 5087}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "26  " and name "HN  ")
 OR { 5087}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "62  " and name "HN  ")
 OR { 5087}
     (segid "    " and resid "62  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HN  ")
 ASSI { 4688}
     (segid "    " and resid "54  " and name "HB1 ")
     (segid "    " and resid "55  " and name "HN  ")
      3.300     3.300     0.000 peak  4688 weight  0.10000E+01 volume  0.15670E+01 ppm1      2.323 ppm2      8.707
 OR { 4688}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "55  " and name "HN  ")
 ASSI { 4693}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "58  " and name "HB2 ")
      5.000     5.000     0.000 peak  4693 weight  0.10000E+01 volume  0.87900E+00 ppm1      2.326 ppm2      2.934
 OR { 4693}
     (segid "    " and resid "54  " and name "HB1 ")
     (segid "    " and resid "58  " and name "HB2 ")
 ASSI { 4694}
     (segid "    " and resid "54  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HE  ")
      5.000     5.000     0.000 peak  4694 weight  0.10000E+01 volume  0.36800E+00 ppm1      2.314 ppm2      7.221
 OR { 4694}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "54  " and name "HE  ")
 OR { 4694}
     (segid "    " and resid "54  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 4694}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 4694}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 4694}
     (segid "    " and resid "54  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HD2 ")
 ASSI { 4690}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG22")
      5.000     5.000     0.000 peak  4690 weight  0.10000E+01 volume  0.12970E+01 ppm1      2.316 ppm2      1.014
 OR { 4690}
     (segid "    " and resid "54  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 4690}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 4690}
     (segid "    " and resid "54  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 4690}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 4690}
     (segid "    " and resid "54  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG23")
 ASSI { 4687}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "54  " and name "HN  ")
      3.300     3.300     0.000 peak  4687 weight  0.10000E+01 volume  0.16330E+01 ppm1      2.312 ppm2      7.493
 OR { 4687}
     (segid "    " and resid "54  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HN  ")
 ASSI { 5092}
     (segid "    " and resid "62  " and name "HB2 ")
     (segid "    " and resid "62  " and name "HA  ")
      5.000     5.000     0.000 peak  5092 weight  0.10000E+01 volume  0.82100E+00 ppm1      1.830 ppm2      4.597
 OR { 5092}
     (segid "    " and resid "63  " and name "HB2 ")
     (segid "    " and resid "62  " and name "HA  ")
 ASSI { 5095}
     (segid "    " and resid "62  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HA  ")
      6.000     6.000     0.000 peak  5095 weight  0.10000E+01 volume  0.19400E+00 ppm1      1.830 ppm2      3.683
 OR { 5095}
     (segid "    " and resid "62  " and name "HB2 ")
     (segid "    " and resid "65  " and name "HB2 ")
 ASSI { 3059}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "24  " and name "HN  ")
      5.000     5.000     0.000 peak  3059 weight  0.10000E+01 volume  0.10100E+01 ppm1      2.196 ppm2     10.179
 ASSI { 3060}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "54  " and name "HN  ")
      5.000     5.000     0.000 peak  3060 weight  0.10000E+01 volume  0.52500E+00 ppm1      2.192 ppm2      7.494
 ASSI { 5121}
     (segid "    " and resid "63  " and name "HB1 ")
     (segid "    " and resid "63  " and name "HG2 ")
      3.300     3.300     0.000 peak  5121 weight  0.10000E+01 volume  0.18120E+01 ppm1      1.955 ppm2      1.493
 OR { 5121}
     (segid "    " and resid "63  " and name "HB1 ")
     (segid "    " and resid "63  " and name "HG1 ")
 ASSI { 5122}
     (segid "    " and resid "63  " and name "HB1 ")
     (segid "    " and resid "64  " and name "HN  ")
      5.000     5.000     0.000 peak  5122 weight  0.10000E+01 volume  0.47400E+00 ppm1      1.957 ppm2      9.124
 ASSI { 3062}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "53  " and name "HN  ")
      5.000     5.000     0.000 peak  3062 weight  0.10000E+01 volume  0.46500E+00 ppm1      2.191 ppm2      9.983
 ASSI { 3066}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "24  " and name "HA  ")
      6.000     6.000     0.000 peak  3066 weight  0.10000E+01 volume  0.16800E+00 ppm1      2.203 ppm2      3.866
 OR { 3066}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "50  " and name "HA  ")
 ASSI { 5131}
     (segid "    " and resid "63  " and name "HB2 ")
     (segid "    " and resid "63  " and name "HG1 ")
      3.300     3.300     0.000 peak  5131 weight  0.10000E+01 volume  0.17210E+01 ppm1      1.840 ppm2      1.492
 OR { 5131}
     (segid "    " and resid "63  " and name "HB2 ")
     (segid "    " and resid "63  " and name "HG2 ")
 ASSI { 5135}
     (segid "    " and resid "63  " and name "HB2 ")
     (segid "    " and resid "2   " and name "HN  ")
      6.000     6.000     0.000 peak  5135 weight  0.10000E+01 volume  0.70000E-01 ppm1      1.835 ppm2      8.738
 OR { 5135}
     (segid "    " and resid "63  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HN  ")
 ASSI { 3037}
     (segid "    " and resid "62  " and name "HB1 ")
     (segid "    " and resid "63  " and name "HN  ")
      2.700     2.700     0.000 peak  3037 weight  0.10000E+01 volume  0.31460E+01 ppm1      2.195 ppm2      8.390
 OR { 3037}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "23  " and name "HN  ")
 OR { 3037}
     (segid "    " and resid "62  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HN  ")
 OR { 3037}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "63  " and name "HN  ")
 ASSI { 5128}
     (segid "    " and resid "63  " and name "HB2 ")
     (segid "    " and resid "63  " and name "HN  ")
      3.300     3.300     0.000 peak  5128 weight  0.10000E+01 volume  0.16320E+01 ppm1      1.834 ppm2      8.418
 OR { 5128}
     (segid "    " and resid "62  " and name "HB2 ")
     (segid "    " and resid "63  " and name "HN  ")
 ASSI { 5120}
     (segid "    " and resid "63  " and name "HB1 ")
     (segid "    " and resid "63  " and name "HN  ")
      5.000     5.000     0.000 peak  5120 weight  0.10000E+01 volume  0.12420E+01 ppm1      1.954 ppm2      8.418
 ASSI { 5132}
     (segid "    " and resid "63  " and name "HB2 ")
     (segid "    " and resid "64  " and name "HN  ")
      5.000     5.000     0.000 peak  5132 weight  0.10000E+01 volume  0.42800E+00 ppm1      1.833 ppm2      9.125
 OR { 5132}
     (segid "    " and resid "62  " and name "HB2 ")
     (segid "    " and resid "64  " and name "HN  ")
 ASSI { 5124}
     (segid "    " and resid "63  " and name "HB1 ")
     (segid "    " and resid "2   " and name "HN  ")
      6.000     6.000     0.000 peak  5124 weight  0.10000E+01 volume  0.13400E+00 ppm1      1.945 ppm2      8.736
 ASSI { 3068}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "26  " and name "HB2 ")
      6.000     6.000     0.000 peak  3068 weight  0.10000E+01 volume  0.97000E-01 ppm1      2.196 ppm2      1.249
 OR { 3068}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 3068}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "22  " and name "HG23")
 OR { 3068}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 3068}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "55  " and name "HG22")
 OR { 3068}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "55  " and name "HG21")
 OR { 3068}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "55  " and name "HG23")
 ASSI { 3065}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "22  " and name "HA  ")
      6.000     6.000     0.000 peak  3065 weight  0.10000E+01 volume  0.16700E+00 ppm1      2.196 ppm2      4.913
 ASSI { 3950}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HB1 ")
      5.000     5.000     0.000 peak  3950 weight  0.10000E+01 volume  0.80400E+00 ppm1      2.051 ppm2      1.457
 OR { 3950}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HG1 ")
 OR { 3950}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HG2 ")
 ASSI { 3943}
     (segid "    " and resid "38  " and name "HB1 ")
     (segid "    " and resid "24  " and name "HA  ")
      6.000     6.000     0.000 peak  3943 weight  0.10000E+01 volume  0.14800E+00 ppm1      2.263 ppm2      3.860
 ASSI { 3952}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HA  ")
      6.000     6.000     0.000 peak  3952 weight  0.10000E+01 volume  0.16800E+00 ppm1      2.053 ppm2      4.434
 ASSI { 3948}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HN  ")
      5.000     5.000     0.000 peak  3948 weight  0.10000E+01 volume  0.11880E+01 ppm1      2.050 ppm2      8.534
 ASSI { 3940}
     (segid "    " and resid "38  " and name "HB1 ")
     (segid "    " and resid "39  " and name "HN  ")
      5.000     5.000     0.000 peak  3940 weight  0.10000E+01 volume  0.65600E+00 ppm1      2.263 ppm2      8.540
 OR { 3940}
     (segid "    " and resid "38  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HN  ")
 ASSI { 3955}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HE1 ")
      6.000     6.000     0.000 peak  3955 weight  0.10000E+01 volume  0.13900E+00 ppm1      2.045 ppm2      2.748
 OR { 3955}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HB1 ")
 ASSI { 3942}
     (segid "    " and resid "38  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HA  ")
      6.000     6.000     0.000 peak  3942 weight  0.10000E+01 volume  0.19800E+00 ppm1      2.260 ppm2      4.622
 OR { 3942}
     (segid "    " and resid "38  " and name "HB1 ")
     (segid "    " and resid "37  " and name "HA  ")
 ASSI { 3953}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HB2 ")
      6.000     6.000     0.000 peak  3953 weight  0.10000E+01 volume  0.18800E+00 ppm1      2.045 ppm2      2.666
 OR { 3953}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "52  " and name "HB1 ")
 ASSI { 3735}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HG22")
      6.000     6.000     0.000 peak  3735 weight  0.10000E+01 volume  0.11500E+00 ppm1      1.720 ppm2      0.927
 OR { 3735}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HG23")
 OR { 3735}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 3735}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD22")
 ASSI { 3737}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "31  " and name "HA  ")
      6.000     6.000     0.000 peak  3737 weight  0.10000E+01 volume  0.51000E-01 ppm1      1.721 ppm2      3.782
 ASSI { 3729}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HD11")
      5.000     5.000     0.000 peak  3729 weight  0.10000E+01 volume  0.43700E+00 ppm1      1.725 ppm2      0.806
 OR { 3729}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 3729}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 3729}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 3729}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 3729}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 3729}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD22")
 ASSI { 3721}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG11")
      6.000     6.000     0.000 peak  3721 weight  0.10000E+01 volume  0.12900E+00 ppm1      2.135 ppm2      1.402
 OR { 3721}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HB  ")
 ASSI { 3723}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HN  ")
      6.000     6.000     0.000 peak  3723 weight  0.10000E+01 volume  0.12800E+00 ppm1      2.142 ppm2      6.188
 ASSI { 3730}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HN  ")
      5.000     5.000     0.000 peak  3730 weight  0.10000E+01 volume  0.40400E+00 ppm1      1.724 ppm2      8.676
 ASSI { 2286}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HD12")
      5.000     5.000     0.000 peak  2286 weight  0.10000E+01 volume  0.36700E+00 ppm1      2.142 ppm2      0.802
 OR { 2286}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 2286}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 2286}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 2286}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 2286}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 2286}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HD23")
 OR { 2286}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HD22")
 OR { 2286}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HD21")
 ASSI { 2426}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG12")
      6.000     6.000     0.000 peak  2426 weight  0.10000E+01 volume  0.10200E+00 ppm1      2.142 ppm2      1.117
 OR { 2426}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "7   " and name "HG22")
 OR { 2426}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "7   " and name "HG21")
 ASSI { 3741}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "7   " and name "HG21")
      6.000     6.000     0.000 peak  3741 weight  0.10000E+01 volume -0.70000E-01 ppm1      1.719 ppm2      1.118
 OR { 3741}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HG12")
 OR { 3741}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "7   " and name "HG23")
 OR { 3741}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "7   " and name "HG22")
 OR { 3741}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "7   " and name "HG23")
 OR { 3741}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "7   " and name "HG22")
 OR { 3741}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "7   " and name "HG21")
 OR { 3741}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HG12")
 ASSI { 3742}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HG11")
      6.000     6.000     0.000 peak  3742 weight  0.10000E+01 volume -0.26900E+00 ppm1      1.722 ppm2      1.406
 OR { 3742}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "11  " and name "HG1 ")
 OR { 3742}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "11  " and name "HG1 ")
 OR { 3742}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HG11")
 ASSI { 3724}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "35  " and name "HN  ")
      6.000     6.000     0.000 peak  3724 weight  0.10000E+01 volume  0.68000E-01 ppm1      2.141 ppm2      8.498
 ASSI { 3732}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HG23")
      5.000     5.000     0.000 peak  3732 weight  0.10000E+01 volume  0.38600E+00 ppm1      1.724 ppm2      0.660
 OR { 3732}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HG21")
 OR { 3732}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HG22")
 ASSI { 3716}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HN  ")
      6.000     6.000     0.000 peak  3716 weight  0.10000E+01 volume  0.20000E+00 ppm1      2.137 ppm2      8.677
 ASSI { 3725}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG23")
      6.000     6.000     0.000 peak  3725 weight  0.10000E+01 volume  0.11400E+00 ppm1      2.137 ppm2      0.937
 OR { 3725}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 3725}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 3725}
     (segid "    " and resid "1   " and name "HB1 ")
     (segid "    " and resid "61  " and name "HB1 ")
 OR { 3725}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HB1 ")
 OR { 3725}
     (segid "    " and resid "1   " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 3725}
     (segid "    " and resid "1   " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 3725}
     (segid "    " and resid "1   " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG23")
 ASSI { 3717}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HA  ")
      6.000     6.000     0.000 peak  3717 weight  0.10000E+01 volume -0.11200E+00 ppm1      2.138 ppm2      4.625
 ASSI { 3728}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HB1 ")
      2.700     2.700     0.000 peak  3728 weight  0.10000E+01 volume -0.31110E+01 ppm1      1.723 ppm2      2.143
 OR { 3728}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HG1 ")
 ASSI { 5089}
     (segid "    " and resid "62  " and name "HG1 ")
     (segid "    " and resid "62  " and name "HB2 ")
      5.000     5.000     0.000 peak  5089 weight  0.10000E+01 volume -0.62000E+00 ppm1      2.349 ppm2      1.838
 OR { 5089}
     (segid "    " and resid "62  " and name "HG2 ")
     (segid "    " and resid "62  " and name "HB2 ")
 ASSI { 5104}
     (segid "    " and resid "62  " and name "HG1 ")
     (segid "    " and resid "61  " and name "HA  ")
      6.000     6.000     0.000 peak  5104 weight  0.10000E+01 volume -0.15000E-01 ppm1      2.349 ppm2      3.699
 OR { 5104}
     (segid "    " and resid "62  " and name "HG2 ")
     (segid "    " and resid "61  " and name "HA  ")
 ASSI { 5098}
     (segid "    " and resid "62  " and name "HG2 ")
     (segid "    " and resid "63  " and name "HN  ")
      6.000     6.000     0.000 peak  5098 weight  0.10000E+01 volume -0.13000E-01 ppm1      2.352 ppm2      8.418
 OR { 5098}
     (segid "    " and resid "62  " and name "HG1 ")
     (segid "    " and resid "63  " and name "HN  ")
 ASSI { 5100}
     (segid "    " and resid "62  " and name "HG2 ")
     (segid "    " and resid "62  " and name "HE22")
      6.000     6.000     0.000 peak  5100 weight  0.10000E+01 volume  0.10000E-02 ppm1      2.352 ppm2      6.812
 OR { 5100}
     (segid "    " and resid "62  " and name "HG1 ")
     (segid "    " and resid "62  " and name "HE22")
 ASSI { 2405}
     (segid "    " and resid "11  " and name "HB1 ")
     (segid "    " and resid "12  " and name "HN  ")
      5.000     5.000     0.000 peak  2405 weight  0.10000E+01 volume  0.30700E+00 ppm1      1.777 ppm2      8.621
 ASSI { 2403}
     (segid "    " and resid "11  " and name "HB1 ")
     (segid "    " and resid "7   " and name "HG22")
      5.000     5.000     0.000 peak  2403 weight  0.10000E+01 volume  0.56800E+00 ppm1      1.778 ppm2      1.137
 OR { 2403}
     (segid "    " and resid "11  " and name "HB1 ")
     (segid "    " and resid "7   " and name "HG23")
 OR { 2403}
     (segid "    " and resid "11  " and name "HB1 ")
     (segid "    " and resid "7   " and name "HG21")
 ASSI { 2399}
     (segid "    " and resid "11  " and name "HB1 ")
     (segid "    " and resid "11  " and name "HN  ")
      5.000     5.000     0.000 peak  2399 weight  0.10000E+01 volume  0.93500E+00 ppm1      1.778 ppm2      7.282
 ASSI { 2412}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "7   " and name "HG21")
      5.000     5.000     0.000 peak  2412 weight  0.10000E+01 volume  0.54700E+00 ppm1      1.687 ppm2      1.134
 OR { 2412}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "7   " and name "HG23")
 OR { 2412}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "7   " and name "HG22")
 OR { 2412}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HG12")
 OR { 2412}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 2412}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "7   " and name "HG23")
 OR { 2412}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "7   " and name "HG21")
 OR { 2412}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "7   " and name "HG22")
 OR { 2412}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 2412}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HG12")
 ASSI { 2410}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "11  " and name "HN  ")
      5.000     5.000     0.000 peak  2410 weight  0.10000E+01 volume  0.99500E+00 ppm1      1.688 ppm2      7.279
 ASSI { 2135}
     (segid "    " and resid "1   " and name "HB1 ")
     (segid "    " and resid "2   " and name "HN  ")
      5.000     5.000     0.000 peak  2135 weight  0.10000E+01 volume  0.45000E+00 ppm1      2.133 ppm2      8.751
 ASSI { 2138}
     (segid "    " and resid "1   " and name "HB2 ")
     (segid "    " and resid "2   " and name "HN  ")
      5.000     5.000     0.000 peak  2138 weight  0.10000E+01 volume  0.50300E+00 ppm1      1.979 ppm2      8.749
 ASSI { 8930}
     (segid "    " and resid "1   " and name "HB1 ")
     (segid "    " and resid "19  " and name "HD2 ")
      6.000     6.000     0.000 peak  8930 weight  0.10000E+01 volume  0.80000E-01 ppm1      2.136 ppm2      3.793
 ASSI { 2134}
     (segid "    " and resid "1   " and name "HB1 ")
     (segid "    " and resid "1   " and name "HA  ")
      5.000     5.000     0.000 peak  2134 weight  0.10000E+01 volume  0.10380E+01 ppm1      2.132 ppm2      4.070
 ASSI { 2407}
     (segid "    " and resid "11  " and name "HB1 ")
     (segid "    " and resid "7   " and name "HN  ")
      6.000     6.000     0.000 peak  2407 weight  0.10000E+01 volume  0.80000E-01 ppm1      1.777 ppm2      8.759
 ASSI { 4116}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "39  " and name "HA  ")
      6.000     6.000     0.000 peak  4116 weight  0.10000E+01 volume  0.11500E+00 ppm1      1.634 ppm2      4.444
 OR { 4116}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "40  " and name "HA  ")
 OR { 4116}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HA  ")
 OR { 4116}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "42  " and name "HA  ")
 ASSI { 4108}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "69  " and name "HD12")
      5.000     5.000     0.000 peak  4108 weight  0.10000E+01 volume  0.14160E+01 ppm1      1.639 ppm2      0.819
 OR { 4108}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 4108}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 4108}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 4108}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 4108}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 4108}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 4108}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 4108}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 4108}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 4108}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "43  " and name "HD21")
 ASSI { 4102}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HB  ")
      5.000     5.000     0.000 peak  4102 weight  0.10000E+01 volume  0.64400E+00 ppm1      2.516 ppm2      1.445
 OR { 4102}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "27  " and name "HB1 ")
 ASSI { 4083}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HG22")
      3.300     3.300     0.000 peak  4083 weight  0.10000E+01 volume  0.19620E+01 ppm1      2.515 ppm2      0.926
 OR { 4083}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 4083}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HG23")
 ASSI { 4106}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "42  " and name "HN  ")
      6.000     6.000     0.000 peak  4106 weight  0.10000E+01 volume  0.69000E-01 ppm1      2.516 ppm2      8.469
 ASSI { 4107}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HG23")
      3.300     3.300     0.000 peak  4107 weight  0.10000E+01 volume  0.19670E+01 ppm1      1.636 ppm2      0.927
 OR { 4107}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 4107}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HG22")
 ASSI { 4114}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "42  " and name "HN  ")
      6.000     6.000     0.000 peak  4114 weight  0.10000E+01 volume  0.13000E+00 ppm1      1.640 ppm2      8.474
 OR { 4114}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "39  " and name "HN  ")
 ASSI { 4084}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "41  " and name "HE22")
      5.000     5.000     0.000 peak  4084 weight  0.10000E+01 volume  0.12250E+01 ppm1      2.515 ppm2      6.433
 ASSI { 4113}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "41  " and name "HE21")
      5.000     5.000     0.000 peak  4113 weight  0.10000E+01 volume  0.32100E+00 ppm1      1.638 ppm2      6.689
 ASSI { 4090}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "41  " and name "HN  ")
      5.000     5.000     0.000 peak  4090 weight  0.10000E+01 volume  0.11110E+01 ppm1      2.512 ppm2      7.370
 ASSI { 4105}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HA  ")
      6.000     6.000     0.000 peak  4105 weight  0.10000E+01 volume  0.83000E-01 ppm1      2.520 ppm2      4.440
 OR { 4105}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "39  " and name "HA  ")
 OR { 4105}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "40  " and name "HA  ")
 OR { 4105}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "42  " and name "HA  ")
 ASSI { 4091}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HD12")
      5.000     5.000     0.000 peak  4091 weight  0.10000E+01 volume  0.12200E+01 ppm1      2.515 ppm2      0.825
 OR { 4091}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 4091}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 4091}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 4091}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 4091}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 4091}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 4091}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 4091}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 4091}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 4091}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "43  " and name "HD21")
 ASSI { 4103}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "30  " and name "HG21")
      6.000     6.000     0.000 peak  4103 weight  0.10000E+01 volume  0.29900E+00 ppm1      2.514 ppm2      0.669
 OR { 4103}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "30  " and name "HG23")
 OR { 4103}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "30  " and name "HG22")
 ASSI { 4112}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HG22")
      5.000     5.000     0.000 peak  4112 weight  0.10000E+01 volume  0.37200E+00 ppm1      1.636 ppm2      0.672
 OR { 4112}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HG21")
 OR { 4112}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HG23")
 OR { 4112}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HG12")
 ASSI { 3632}
     (segid "    " and resid "31  " and name "HG1 ")
     (segid "    " and resid "37  " and name "HA  ")
      6.000     6.000     0.000 peak  3632 weight  0.10000E+01 volume  0.21500E+00 ppm1      2.264 ppm2      4.622
 ASSI { 4092}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HA  ")
      3.300     3.300     0.000 peak  4092 weight  0.10000E+01 volume  0.15070E+01 ppm1      2.516 ppm2      4.110
 OR { 4092}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 3644}
     (segid "    " and resid "31  " and name "HG2 ")
     (segid "    " and resid "31  " and name "HE22")
      5.000     5.000     0.000 peak  3644 weight  0.10000E+01 volume  0.35300E+00 ppm1      1.934 ppm2      6.813
 ASSI { 4098}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "41  " and name "HE21")
      5.000     5.000     0.000 peak  4098 weight  0.10000E+01 volume  0.64200E+00 ppm1      2.515 ppm2      6.699
 ASSI { 4111}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "41  " and name "HN  ")
      5.000     5.000     0.000 peak  4111 weight  0.10000E+01 volume  0.71000E+00 ppm1      1.636 ppm2      7.370
 ASSI { 4104}
     (segid "    " and resid "41  " and name "HG1 ")
     (segid "    " and resid "40  " and name "HN  ")
      6.000     6.000     0.000 peak  4104 weight  0.10000E+01 volume  0.20900E+00 ppm1      2.520 ppm2      7.915
 ASSI { 3648}
     (segid "    " and resid "31  " and name "HG2 ")
     (segid "    " and resid "32  " and name "HN  ")
      6.000     6.000     0.000 peak  3648 weight  0.10000E+01 volume  0.23200E+00 ppm1      1.928 ppm2      8.097
 OR { 3648}
     (segid "    " and resid "31  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 3648}
     (segid "    " and resid "31  " and name "HG2 ")
     (segid "    " and resid "28  " and name "HN  ")
 ASSI { 3628}
     (segid "    " and resid "31  " and name "HG1 ")
     (segid "    " and resid "31  " and name "HE21")
      5.000     5.000     0.000 peak  3628 weight  0.10000E+01 volume  0.56500E+00 ppm1      2.265 ppm2      7.628
 ASSI { 4110}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "41  " and name "HE22")
      5.000     5.000     0.000 peak  4110 weight  0.10000E+01 volume  0.71000E+00 ppm1      1.641 ppm2      6.433
 ASSI { 4115}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "40  " and name "HN  ")
      6.000     6.000     0.000 peak  4115 weight  0.10000E+01 volume  0.10800E+00 ppm1      1.630 ppm2      7.917
 ASSI { 3631}
     (segid "    " and resid "31  " and name "HG1 ")
     (segid "    " and resid "32  " and name "HA  ")
      5.000     5.000     0.000 peak  3631 weight  0.10000E+01 volume  0.39300E+00 ppm1      2.265 ppm2      4.315
 ASSI { 3635}
     (segid "    " and resid "31  " and name "HG1 ")
     (segid "    " and resid "31  " and name "HN  ")
      6.000     6.000     0.000 peak  3635 weight  0.10000E+01 volume  0.23700E+00 ppm1      2.268 ppm2      8.636
 OR { 3635}
     (segid "    " and resid "31  " and name "HG1 ")
     (segid "    " and resid "34  " and name "HN  ")
 ASSI { 3634}
     (segid "    " and resid "31  " and name "HG1 ")
     (segid "    " and resid "35  " and name "HA2 ")
      6.000     6.000     0.000 peak  3634 weight  0.10000E+01 volume  0.27400E+00 ppm1      2.265 ppm2      3.906
 ASSI { 3636}
     (segid "    " and resid "31  " and name "HG1 ")
     (segid "    " and resid "35  " and name "HN  ")
      6.000     6.000     0.000 peak  3636 weight  0.10000E+01 volume  0.10100E+00 ppm1      2.270 ppm2      8.496
 ASSI { 3641}
     (segid "    " and resid "31  " and name "HG2 ")
     (segid "    " and resid "31  " and name "HE21")
      5.000     5.000     0.000 peak  3641 weight  0.10000E+01 volume  0.85400E+00 ppm1      1.934 ppm2      7.626
 ASSI { 3646}
     (segid "    " and resid "31  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HD1 ")
      5.000     5.000     0.000 peak  3646 weight  0.10000E+01 volume  0.36200E+00 ppm1      1.933 ppm2      4.174
 OR { 3646}
     (segid "    " and resid "31  " and name "HG2 ")
     (segid "    " and resid "28  " and name "HA  ")
 ASSI { 3629}
     (segid "    " and resid "31  " and name "HG1 ")
     (segid "    " and resid "31  " and name "HE22")
      5.000     5.000     0.000 peak  3629 weight  0.10000E+01 volume  0.30300E+00 ppm1      2.267 ppm2      6.813
 ASSI { 3643}
     (segid "    " and resid "31  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HA  ")
      5.000     5.000     0.000 peak  3643 weight  0.10000E+01 volume  0.49400E+00 ppm1      1.935 ppm2      4.623
 ASSI { 3645}
     (segid "    " and resid "31  " and name "HG2 ")
     (segid "    " and resid "31  " and name "HN  ")
      5.000     5.000     0.000 peak  3645 weight  0.10000E+01 volume  0.39000E+00 ppm1      1.928 ppm2      8.632
 OR { 3645}
     (segid "    " and resid "31  " and name "HG2 ")
     (segid "    " and resid "34  " and name "HN  ")
 OR { 3645}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "12  " and name "HN  ")
 OR { 3645}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "34  " and name "HN  ")
 OR { 3645}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "31  " and name "HN  ")
 OR { 3645}
     (segid "    " and resid "31  " and name "HG2 ")
     (segid "    " and resid "12  " and name "HN  ")
 ASSI { 3637}
     (segid "    " and resid "31  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HN  ")
      6.000     6.000     0.000 peak  3637 weight  0.10000E+01 volume  0.66000E-01 ppm1      2.274 ppm2      6.179
 ASSI { 3630}
     (segid "    " and resid "31  " and name "HG1 ")
     (segid "    " and resid "32  " and name "HN  ")
      5.000     5.000     0.000 peak  3630 weight  0.10000E+01 volume  0.38000E+00 ppm1      2.264 ppm2      8.096
 ASSI { 3633}
     (segid "    " and resid "31  " and name "HG1 ")
     (segid "    " and resid "28  " and name "HA  ")
      6.000     6.000     0.000 peak  3633 weight  0.10000E+01 volume  0.24500E+00 ppm1      2.269 ppm2      4.175
 OR { 3633}
     (segid "    " and resid "31  " and name "HG1 ")
     (segid "    " and resid "37  " and name "HD1 ")
 ASSI { 3647}
     (segid "    " and resid "31  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HN  ")
      6.000     6.000     0.000 peak  3647 weight  0.10000E+01 volume  0.17900E+00 ppm1      1.931 ppm2      6.188
 ASSI { 3650}
     (segid "    " and resid "31  " and name "HG2 ")
     (segid "    " and resid "41  " and name "HE21")
      6.000     6.000     0.000 peak  3650 weight  0.10000E+01 volume  0.85000E-01 ppm1      1.941 ppm2      6.705
 ASSI { 3320}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HN  ")
      5.000     5.000     0.000 peak  3320 weight  0.10000E+01 volume  0.40800E+00 ppm1      1.453 ppm2      8.138
 OR { 3320}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HN  ")
 ASSI { 3306}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "28  " and name "HN  ")
      5.000     5.000     0.000 peak  3306 weight  0.10000E+01 volume  0.95400E+00 ppm1      1.991 ppm2      8.138
 ASSI { 3309}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HE1 ")
      6.000     6.000     0.000 peak  3309 weight  0.10000E+01 volume  0.18600E+00 ppm1      1.993 ppm2      2.743
 ASSI { 3316}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HA  ")
      5.000     5.000     0.000 peak  3316 weight  0.10000E+01 volume  0.10180E+01 ppm1      1.449 ppm2      4.054
 ASSI { 3321}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HE21")
      6.000     6.000     0.000 peak  3321 weight  0.10000E+01 volume  0.24800E+00 ppm1      1.456 ppm2      6.701
 ASSI { 3305}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "24  " and name "HA  ")
      5.000     5.000     0.000 peak  3305 weight  0.10000E+01 volume  0.10740E+01 ppm1      1.996 ppm2      3.857
 ASSI { 3307}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HA  ")
      5.000     5.000     0.000 peak  3307 weight  0.10000E+01 volume  0.69600E+00 ppm1      1.997 ppm2      4.632
 OR { 3307}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HA  ")
 OR { 3307}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 3307}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HA  ")
 ASSI { 3308}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "41  " and name "HE21")
      6.000     6.000     0.000 peak  3308 weight  0.10000E+01 volume  0.11700E+00 ppm1      1.996 ppm2      6.700
 ASSI { 3304}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HN  ")
      5.000     5.000     0.000 peak  3304 weight  0.10000E+01 volume  0.13840E+01 ppm1      1.993 ppm2      8.549
 ASSI { 3322}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HG12")
      5.000     5.000     0.000 peak  3322 weight  0.10000E+01 volume  0.40800E+00 ppm1      1.452 ppm2      0.719
 OR { 3322}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 3322}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 3322}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 3322}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 3322}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 3322}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HD12")
 OR { 3322}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HD23")
 OR { 3322}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HD21")
 OR { 3322}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HD22")
 OR { 3322}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD22")
 ASSI { 3318}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "24  " and name "HA  ")
      5.000     5.000     0.000 peak  3318 weight  0.10000E+01 volume  0.51700E+00 ppm1      1.448 ppm2      3.858
 ASSI { 3319}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HD11")
      5.000     5.000     0.000 peak  3319 weight  0.10000E+01 volume  0.72500E+00 ppm1      1.449 ppm2      0.811
 OR { 3319}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 3319}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 3319}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 3319}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 3319}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 3319}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 3319}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 3319}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 3319}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 3319}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 3319}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HD12")
 ASSI { 3314}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HN  ")
      5.000     5.000     0.000 peak  3314 weight  0.10000E+01 volume  0.10230E+01 ppm1      1.447 ppm2      8.549
 ASSI { 1952}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "69  " and name "HB2 ")
      6.000     6.000     0.000 peak  1952 weight  0.10000E+01 volume  0.26000E+00 ppm1      1.911 ppm2      1.118
 OR { 1952}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "7   " and name "HG21")
 OR { 1952}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "7   " and name "HG23")
 OR { 1952}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "7   " and name "HG22")
 OR { 1952}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "3   " and name "HB1 ")
 ASSI { 1950}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "5   " and name "HG11")
      2.700     2.700     0.000 peak  1950 weight  0.10000E+01 volume  0.88730E+01 ppm1      1.911 ppm2      0.693
 OR { 1950}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "5   " and name "HG12")
 OR { 1950}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "5   " and name "HG13")
 OR { 1950}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "5   " and name "HG23")
 OR { 1950}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "5   " and name "HG22")
 OR { 1950}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "5   " and name "HG21")
 ASSI { 1957}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "5   " and name "HN  ")
      3.300     3.300     0.000 peak  1957 weight  0.10000E+01 volume  0.18410E+01 ppm1      1.911 ppm2      9.225
 ASSI { 1949}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "15  " and name "HG22")
      6.000     6.000     0.000 peak  1949 weight  0.10000E+01 volume  0.25500E+00 ppm1      1.912 ppm2      0.568
 OR { 1949}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "15  " and name "HG21")
 OR { 1949}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "15  " and name "HG23")
 ASSI { 1956}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "4   " and name "HA  ")
      6.000     6.000     0.000 peak  1956 weight  0.10000E+01 volume  0.19500E+00 ppm1      1.914 ppm2      5.599
 ASSI { 1958}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "13  " and name "HN  ")
      5.000     5.000     0.000 peak  1958 weight  0.10000E+01 volume  0.48800E+00 ppm1      1.909 ppm2      9.685
 ASSI { 3682}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "35  " and name "HN  ")
      6.000     6.000     0.000 peak  3682 weight  0.10000E+01 volume  0.75000E-01 ppm1      1.822 ppm2      8.496
 ASSI { 3680}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HN  ")
      5.000     5.000     0.000 peak  3680 weight  0.10000E+01 volume  0.96000E+00 ppm1      1.826 ppm2      8.680
 ASSI { 3676}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "13  " and name "HD12")
      3.300     3.300     0.000 peak  3676 weight  0.10000E+01 volume  0.18820E+01 ppm1      2.013 ppm2      0.800
 OR { 3676}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 3676}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 3676}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 3676}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 3676}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 3676}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 3676}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 3676}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 3676}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 3676}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 3676}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 3676}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 3676}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 3676}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 3676}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 3676}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 3676}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 3676}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 3676}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 3676}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 3676}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 3676}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 3676}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD23")
 ASSI { 3683}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HA  ")
      5.000     5.000     0.000 peak  3683 weight  0.10000E+01 volume  0.41800E+00 ppm1      2.015 ppm2      3.443
 ASSI { 3677}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HN  ")
      5.000     5.000     0.000 peak  3677 weight  0.10000E+01 volume  0.14870E+01 ppm1      2.015 ppm2      7.354
 ASSI { 3678}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD12")
      5.000     5.000     0.000 peak  3678 weight  0.10000E+01 volume  0.11980E+01 ppm1      1.828 ppm2      0.800
 OR { 3678}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 3678}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 3678}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 3678}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 3678}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD23")
 ASSI { 3679}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HN  ")
      5.000     5.000     0.000 peak  3679 weight  0.10000E+01 volume  0.82700E+00 ppm1      2.014 ppm2      8.680
 ASSI { 1845}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "33  " and name "HE1 ")
      6.000     6.000     0.000 peak  1845 weight  0.10000E+01 volume  0.63000E-01 ppm1      1.828 ppm2      3.174
 ASSI { 2196}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "7   " and name "HN  ")
      6.000     6.000     0.000 peak  2196 weight  0.10000E+01 volume  0.18800E+00 ppm1      1.368 ppm2      8.764
 ASSI { 3681}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HA  ")
      5.000     5.000     0.000 peak  3681 weight  0.10000E+01 volume  0.61700E+00 ppm1      1.829 ppm2      3.445
 ASSI { 3672}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "33  " and name "HN  ")
      3.300     3.300     0.000 peak  3672 weight  0.10000E+01 volume  0.22810E+01 ppm1      1.829 ppm2      7.348
 ASSI { 2197}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HG11")
      6.000     6.000     0.000 peak  2197 weight  0.10000E+01 volume  0.12100E+00 ppm1      1.359 ppm2      0.700
 OR { 2197}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HG13")
 OR { 2197}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HG12")
 OR { 2197}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HG21")
 OR { 2197}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HG23")
 OR { 2197}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HG22")
 OR { 2197}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 2197}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 2197}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "67  " and name "HD11")
 ASSI { 2179}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "68  " and name "HA  ")
      5.000     5.000     0.000 peak  2179 weight  0.10000E+01 volume  0.79900E+00 ppm1      1.670 ppm2      5.001
 OR { 2179}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "5   " and name "HA  ")
 ASSI { 2191}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "68  " and name "HA  ")
      5.000     5.000     0.000 peak  2191 weight  0.10000E+01 volume  0.73000E+00 ppm1      1.359 ppm2      4.996
 OR { 2191}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HA  ")
 ASSI { 2175}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "6   " and name "HN  ")
      5.000     5.000     0.000 peak  2175 weight  0.10000E+01 volume  0.99700E+00 ppm1      1.669 ppm2      8.972
 ASSI { 2186}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "6   " and name "HN  ")
      5.000     5.000     0.000 peak  2186 weight  0.10000E+01 volume  0.94800E+00 ppm1      1.364 ppm2      8.971
 ASSI { 2194}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "12  " and name "HG21")
      6.000     6.000     0.000 peak  2194 weight  0.10000E+01 volume  0.15700E+00 ppm1      1.367 ppm2      1.065
 OR { 2194}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 2194}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "12  " and name "HG23")
 ASSI { 2181}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "69  " and name "HN  ")
      6.000     6.000     0.000 peak  2181 weight  0.10000E+01 volume  0.12700E+00 ppm1      1.671 ppm2      8.337
 ASSI { 2183}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "68  " and name "HD2 ")
      6.000     6.000     0.000 peak  2183 weight  0.10000E+01 volume  0.11600E+00 ppm1      1.671 ppm2      7.073
 OR { 2183}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "4   " and name "HD2 ")
 OR { 2183}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "4   " and name "HD1 ")
 ASSI { 2174}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "12  " and name "HA  ")
      5.000     5.000     0.000 peak  2174 weight  0.10000E+01 volume  0.30400E+00 ppm1      1.673 ppm2      5.076
 ASSI { 4046}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "40  " and name "HE22")
      5.000     5.000     0.000 peak  4046 weight  0.10000E+01 volume  0.60200E+00 ppm1      2.381 ppm2      6.768
 OR { 4046}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "40  " and name "HE22")
 ASSI { 2198}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "68  " and name "HD2 ")
      6.000     6.000     0.000 peak  2198 weight  0.10000E+01 volume  0.72000E-01 ppm1      1.370 ppm2      7.074
 OR { 2198}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "4   " and name "HD2 ")
 OR { 2198}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "4   " and name "HD1 ")
 ASSI { 2177}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "66  " and name "HG21")
      5.000     5.000     0.000 peak  2177 weight  0.10000E+01 volume  0.62200E+00 ppm1      1.670 ppm2      0.906
 OR { 2177}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "66  " and name "HG23")
 OR { 2177}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "66  " and name "HG22")
 ASSI { 2180}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "7   " and name "HN  ")
      5.000     5.000     0.000 peak  2180 weight  0.10000E+01 volume  0.38400E+00 ppm1      1.674 ppm2      8.771
 ASSI { 2193}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "69  " and name "HN  ")
      6.000     6.000     0.000 peak  2193 weight  0.10000E+01 volume  0.13900E+00 ppm1      1.368 ppm2      8.336
 ASSI { 4052}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "37  " and name "HD1 ")
      6.000     6.000     0.000 peak  4052 weight  0.10000E+01 volume  0.21400E+00 ppm1      2.375 ppm2      4.176
 OR { 4052}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HD1 ")
 OR { 4052}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 4052}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 2189}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "66  " and name "HG21")
      5.000     5.000     0.000 peak  2189 weight  0.10000E+01 volume  0.77400E+00 ppm1      1.361 ppm2      0.902
 OR { 2189}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "66  " and name "HG23")
 OR { 2189}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "66  " and name "HG22")
 ASSI { 4056}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "72  " and name "HG2 ")
      6.000     6.000     0.000 peak  4056 weight  0.10000E+01 volume  0.23500E+00 ppm1      2.380 ppm2      1.521
 OR { 4056}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "72  " and name "HG1 ")
 OR { 4056}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "72  " and name "HB2 ")
 OR { 4056}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "72  " and name "HG2 ")
 OR { 4056}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "72  " and name "HG1 ")
 OR { 4056}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "72  " and name "HB2 ")
 ASSI { 4054}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "41  " and name "HN  ")
      6.000     6.000     0.000 peak  4054 weight  0.10000E+01 volume  0.20000E+00 ppm1      2.381 ppm2      7.369
 OR { 4054}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "41  " and name "HN  ")
 ASSI { 4050}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "39  " and name "HN  ")
      5.000     5.000     0.000 peak  4050 weight  0.10000E+01 volume  0.31000E+00 ppm1      2.382 ppm2      8.545
 OR { 4050}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "39  " and name "HN  ")
 OR { 4050}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "72  " and name "HN  ")
 OR { 4050}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "72  " and name "HN  ")
 ASSI { 4042}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "40  " and name "HE21")
      5.000     5.000     0.000 peak  4042 weight  0.10000E+01 volume  0.12740E+01 ppm1      2.381 ppm2      7.678
 OR { 4042}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "40  " and name "HE21")
 ASSI { 4055}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "72  " and name "HD2 ")
      6.000     6.000     0.000 peak  4055 weight  0.10000E+01 volume  0.83000E-01 ppm1      2.382 ppm2      3.146
 OR { 4055}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "72  " and name "HD1 ")
 OR { 4055}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "72  " and name "HD2 ")
 OR { 4055}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "72  " and name "HD1 ")
 ASSI { 2474}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "71  " and name "HD11")
      5.000     5.000     0.000 peak  2474 weight  0.10000E+01 volume  0.97100E+00 ppm1      2.382 ppm2      0.926
 OR { 2474}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "71  " and name "HD12")
 OR { 2474}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "71  " and name "HD22")
 OR { 2474}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "71  " and name "HD12")
 OR { 2474}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "71  " and name "HD22")
 OR { 2474}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "71  " and name "HD13")
 OR { 2474}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 2474}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "71  " and name "HD21")
 OR { 2474}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "71  " and name "HD21")
 OR { 2474}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HG23")
 OR { 2474}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 2474}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "71  " and name "HD13")
 OR { 2474}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "71  " and name "HD11")
 OR { 2474}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 2474}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 2474}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HG23")
 ASSI { 4047}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "37  " and name "HB2 ")
      5.000     5.000     0.000 peak  4047 weight  0.10000E+01 volume  0.10210E+01 ppm1      2.383 ppm2      1.956
 OR { 4047}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HB2 ")
 ASSI { 4043}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "40  " and name "HN  ")
      3.300     3.300     0.000 peak  4043 weight  0.10000E+01 volume  0.16630E+01 ppm1      2.382 ppm2      7.912
 OR { 4043}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "40  " and name "HN  ")
 ASSI { 4048}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "37  " and name "HD2 ")
      5.000     5.000     0.000 peak  4048 weight  0.10000E+01 volume  0.54900E+00 ppm1      2.380 ppm2      3.551
 OR { 4048}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HD2 ")
 ASSI { 4044}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "37  " and name "HG2 ")
      5.000     5.000     0.000 peak  4044 weight  0.10000E+01 volume  0.88700E+00 ppm1      2.381 ppm2      2.065
 OR { 4044}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "37  " and name "HG1 ")
 OR { 4044}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HG2 ")
 OR { 4044}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HG1 ")
 ASSI { 4481}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "50  " and name "HA  ")
      6.000     6.000     0.000 peak  4481 weight  0.10000E+01 volume  0.75000E-01 ppm1      2.243 ppm2      3.859
 OR { 4481}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "50  " and name "HA  ")
 ASSI { 4476}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "44  " and name "HG12")
      5.000     5.000     0.000 peak  4476 weight  0.10000E+01 volume  0.34500E+00 ppm1      2.247 ppm2      1.085
 OR { 4476}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "44  " and name "HG12")
 OR { 4476}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "50  " and name "HG  ")
 OR { 4476}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "50  " and name "HG  ")
 OR { 4476}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "50  " and name "HB1 ")
 OR { 4476}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "50  " and name "HB1 ")
 ASSI { 4478}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "42  " and name "HA  ")
      6.000     6.000     0.000 peak  4478 weight  0.10000E+01 volume  0.17000E+00 ppm1      2.249 ppm2      4.461
 OR { 4478}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "42  " and name "HA  ")
 ASSI { 2125}
     (segid "    " and resid "2   " and name "HG2 ")
     (segid "    " and resid "3   " and name "HN  ")
      5.000     5.000     0.000 peak  2125 weight  0.10000E+01 volume  0.77200E+00 ppm1      1.819 ppm2      8.759
 OR { 2125}
     (segid "    " and resid "2   " and name "HG2 ")
     (segid "    " and resid "2   " and name "HN  ")
 OR { 2125}
     (segid "    " and resid "2   " and name "HG2 ")
     (segid "    " and resid "15  " and name "HN  ")
 ASSI { 4473}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "43  " and name "HN  ")
      5.000     5.000     0.000 peak  4473 weight  0.10000E+01 volume  0.30200E+00 ppm1      2.249 ppm2      8.975
 OR { 4473}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "43  " and name "HN  ")
 ASSI { 2119}
     (segid "    " and resid "2   " and name "HG2 ")
     (segid "    " and resid "14  " and name "HG22")
      5.000     5.000     0.000 peak  2119 weight  0.10000E+01 volume  0.55900E+00 ppm1      1.819 ppm2      1.085
 OR { 2119}
     (segid "    " and resid "2   " and name "HG2 ")
     (segid "    " and resid "14  " and name "HG21")
 OR { 2119}
     (segid "    " and resid "2   " and name "HG2 ")
     (segid "    " and resid "14  " and name "HG23")
 ASSI { 4420}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HD2 ")
      5.000     5.000     0.000 peak  4420 weight  0.10000E+01 volume  0.34800E+00 ppm1      1.967 ppm2      7.210
 OR { 4420}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 4420}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 4420}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HD1 ")
 ASSI { 5506}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "69  " and name "HA  ")
      6.000     6.000     0.000 peak  5506 weight  0.10000E+01 volume  0.13800E+00 ppm1      2.115 ppm2      5.096
 ASSI { 5505}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "42  " and name "HG2 ")
      6.000     6.000     0.000 peak  5505 weight  0.10000E+01 volume  0.24500E+00 ppm1      2.116 ppm2      1.309
 ASSI { 2115}
     (segid "    " and resid "2   " and name "HG1 ")
     (segid "    " and resid "16  " and name "HA  ")
      6.000     6.000     0.000 peak  2115 weight  0.10000E+01 volume  0.11100E+00 ppm1      2.164 ppm2      5.165
 OR { 2115}
     (segid "    " and resid "2   " and name "HG1 ")
     (segid "    " and resid "14  " and name "HA  ")
 ASSI { 2117}
     (segid "    " and resid "2   " and name "HG1 ")
     (segid "    " and resid "2   " and name "HE21")
      5.000     5.000     0.000 peak  2117 weight  0.10000E+01 volume  0.37100E+00 ppm1      2.168 ppm2      7.421
 ASSI { 2118}
     (segid "    " and resid "2   " and name "HG1 ")
     (segid "    " and resid "3   " and name "HN  ")
      5.000     5.000     0.000 peak  2118 weight  0.10000E+01 volume  0.79200E+00 ppm1      2.169 ppm2      8.760
 OR { 2118}
     (segid "    " and resid "2   " and name "HG1 ")
     (segid "    " and resid "2   " and name "HN  ")
 OR { 2118}
     (segid "    " and resid "2   " and name "HG1 ")
     (segid "    " and resid "15  " and name "HN  ")
 ASSI { 2124}
     (segid "    " and resid "2   " and name "HG2 ")
     (segid "    " and resid "2   " and name "HE21")
      5.000     5.000     0.000 peak  2124 weight  0.10000E+01 volume  0.42200E+00 ppm1      1.818 ppm2      7.418
 ASSI { 4423}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HN  ")
      6.000     6.000     0.000 peak  4423 weight  0.10000E+01 volume  0.22000E+00 ppm1      1.974 ppm2      9.152
 OR { 4423}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HN  ")
 ASSI { 4470}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "44  " and name "HD12")
      5.000     5.000     0.000 peak  4470 weight  0.10000E+01 volume  0.80300E+00 ppm1      2.248 ppm2      0.665
 OR { 4470}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 4470}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 4470}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "44  " and name "HD11")
 OR { 4470}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "44  " and name "HD11")
 OR { 4470}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 4470}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 4470}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 4470}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 4470}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "44  " and name "HG22")
 ASSI { 4417}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HN  ")
      3.300     3.300     0.000 peak  4417 weight  0.10000E+01 volume  0.22440E+01 ppm1      1.966 ppm2      8.072
 OR { 4417}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HN  ")
 ASSI { 5496}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "70  " and name "HG11")
      2.700     2.700     0.000 peak  5496 weight  0.10000E+01 volume  0.31500E+01 ppm1      2.116 ppm2      0.939
 OR { 5496}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "70  " and name "HG13")
 OR { 5496}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "70  " and name "HG12")
 ASSI { 5504}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "42  " and name "HD2 ")
      5.000     5.000     0.000 peak  5504 weight  0.10000E+01 volume  0.33500E+00 ppm1      2.118 ppm2      3.076
 OR { 5504}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "42  " and name "HD1 ")
 ASSI { 5503}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "44  " and name "HD12")
      6.000     6.000     0.000 peak  5503 weight  0.10000E+01 volume  0.28600E+00 ppm1      2.120 ppm2      0.666
 OR { 5503}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "44  " and name "HD11")
 OR { 5503}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 5503}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "44  " and name "HG21")
 ASSI { 4428}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "49  " and name "HA  ")
      6.000     6.000     0.000 peak  4428 weight  0.10000E+01 volume  0.13500E+00 ppm1      1.960 ppm2      4.818
 OR { 4428}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 4426}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HB2 ")
      6.000     6.000     0.000 peak  4426 weight  0.10000E+01 volume  0.19800E+00 ppm1      1.962 ppm2      2.758
 OR { 4426}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 4425}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD21")
      6.000     6.000     0.000 peak  4425 weight  0.10000E+01 volume  0.17200E+00 ppm1      1.970 ppm2      0.037
 OR { 4425}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD22")
 OR { 4425}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD23")
 OR { 4425}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD23")
 OR { 4425}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD22")
 OR { 4425}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD21")
 ASSI { 4475}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "42  " and name "HD1 ")
      6.000     6.000     0.000 peak  4475 weight  0.10000E+01 volume  0.23000E+00 ppm1      2.244 ppm2      3.071
 OR { 4475}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "42  " and name "HD1 ")
 OR { 4475}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 4475}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "42  " and name "HD2 ")
 ASSI { 2122}
     (segid "    " and resid "2   " and name "HG2 ")
     (segid "    " and resid "16  " and name "HA  ")
      6.000     6.000     0.000 peak  2122 weight  0.10000E+01 volume  0.99000E-01 ppm1      1.813 ppm2      5.174
 OR { 2122}
     (segid "    " and resid "2   " and name "HG2 ")
     (segid "    " and resid "14  " and name "HA  ")
 ASSI { 4424}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HE2 ")
      5.000     5.000     0.000 peak  4424 weight  0.10000E+01 volume  0.41800E+00 ppm1      1.973 ppm2      6.841
 OR { 4424}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 4424}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 4424}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 4424}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "60  " and name "HD22")
 OR { 4424}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "60  " and name "HD22")
 ASSI { 4469}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "49  " and name "HE21")
      5.000     5.000     0.000 peak  4469 weight  0.10000E+01 volume  0.11270E+01 ppm1      2.249 ppm2      7.597
 OR { 4469}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "49  " and name "HE21")
 ASSI { 4467}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "50  " and name "HN  ")
      5.000     5.000     0.000 peak  4467 weight  0.10000E+01 volume  0.14460E+01 ppm1      2.247 ppm2      8.622
 OR { 4467}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "50  " and name "HN  ")
 OR { 4467}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "49  " and name "HN  ")
 OR { 4467}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "49  " and name "HN  ")
 ASSI { 5500}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "70  " and name "HN  ")
      5.000     5.000     0.000 peak  5500 weight  0.10000E+01 volume  0.12400E+01 ppm1      2.117 ppm2      9.237
 ASSI { 2113}
     (segid "    " and resid "2   " and name "HG1 ")
     (segid "    " and resid "14  " and name "HB  ")
      6.000     6.000     0.000 peak  2113 weight  0.10000E+01 volume  0.14800E+00 ppm1      2.171 ppm2      4.015
 OR { 2113}
     (segid "    " and resid "2   " and name "HG1 ")
     (segid "    " and resid "63  " and name "HA  ")
 ASSI { 2123}
     (segid "    " and resid "2   " and name "HG2 ")
     (segid "    " and resid "2   " and name "HE22")
      6.000     6.000     0.000 peak  2123 weight  0.10000E+01 volume  0.15600E+00 ppm1      1.821 ppm2      6.705
 ASSI { 2116}
     (segid "    " and resid "2   " and name "HG1 ")
     (segid "    " and resid "2   " and name "HE22")
      6.000     6.000     0.000 peak  2116 weight  0.10000E+01 volume  0.15900E+00 ppm1      2.168 ppm2      6.706
 ASSI { 4474}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "42  " and name "HG1 ")
      5.000     5.000     0.000 peak  4474 weight  0.10000E+01 volume  0.48800E+00 ppm1      2.248 ppm2      1.464
 OR { 4474}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "42  " and name "HG1 ")
 OR { 4474}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "50  " and name "HB2 ")
 OR { 4474}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "50  " and name "HB2 ")
 ASSI { 5499}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "70  " and name "HA  ")
      3.300     3.300     0.000 peak  5499 weight  0.10000E+01 volume  0.19450E+01 ppm1      2.117 ppm2      4.412
 ASSI { 4471}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "49  " and name "HE22")
      5.000     5.000     0.000 peak  4471 weight  0.10000E+01 volume  0.53200E+00 ppm1      2.250 ppm2      6.887
 OR { 4471}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "49  " and name "HE22")
 ASSI { 4419}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "49  " and name "HN  ")
      5.000     5.000     0.000 peak  4419 weight  0.10000E+01 volume  0.13450E+01 ppm1      1.972 ppm2      8.634
 OR { 4419}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HN  ")
 OR { 4419}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HN  ")
 OR { 4419}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HN  ")
 ASSI { 5498}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "71  " and name "HN  ")
      3.300     3.300     0.000 peak  5498 weight  0.10000E+01 volume  0.17050E+01 ppm1      2.117 ppm2      8.071
 ASSI { 4429}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HB1 ")
      6.000     6.000     0.000 peak  4429 weight  0.10000E+01 volume  0.86000E-01 ppm1      1.972 ppm2      2.916
 OR { 4429}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HB1 ")
 ASSI { 5497}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "70  " and name "HG23")
      3.300     3.300     0.000 peak  5497 weight  0.10000E+01 volume  0.23140E+01 ppm1      2.117 ppm2      0.827
 OR { 5497}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "70  " and name "HG21")
 OR { 5497}
     (segid "    " and resid "70  " and name "HB  ")
     (segid "    " and resid "70  " and name "HG22")
 ASSI { 2607}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "3   " and name "HB2 ")
      6.000     6.000     0.000 peak  2607 weight  0.10000E+01 volume  0.29100E+00 ppm1      1.770 ppm2      1.386
 OR { 2607}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "3   " and name "HG  ")
 ASSI { 2612}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "14  " and name "HG22")
      6.000     6.000     0.000 peak  2612 weight  0.10000E+01 volume  0.14400E+00 ppm1      1.772 ppm2      1.113
 OR { 2612}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "14  " and name "HG23")
 OR { 2612}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "14  " and name "HG21")
 OR { 2612}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "3   " and name "HB1 ")
 ASSI { 2606}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "15  " and name "HN  ")
      5.000     5.000     0.000 peak  2606 weight  0.10000E+01 volume  0.80700E+00 ppm1      1.770 ppm2      8.762
 OR { 2606}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "3   " and name "HN  ")
 ASSI { 2608}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "16  " and name "HA  ")
      6.000     6.000     0.000 peak  2608 weight  0.10000E+01 volume  0.19800E+00 ppm1      1.767 ppm2      5.175
 OR { 2608}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "14  " and name "HA  ")
 ASSI { 6984}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "17  " and name "HD11")
      5.000     5.000     0.000 peak  6984 weight  0.10000E+01 volume  0.10770E+01 ppm1      1.771 ppm2      0.823
 OR { 6984}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "17  " and name "HD12")
 OR { 6984}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "17  " and name "HD13")
 OR { 6984}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 6984}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 6984}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 6984}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 6984}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 6984}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "13  " and name "HD23")
 ASSI { 2609}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "17  " and name "HN  ")
      6.000     6.000     0.000 peak  2609 weight  0.10000E+01 volume  0.14100E+00 ppm1      1.760 ppm2      8.311
 ASSI { 2601}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "16  " and name "HN  ")
      3.300     3.300     0.000 peak  2601 weight  0.10000E+01 volume  0.21260E+01 ppm1      1.767 ppm2      8.152
 ASSI { 2817}
     (segid "    " and resid "18  " and name "HG1 ")
     (segid "    " and resid "18  " and name "HB2 ")
      2.700     2.700     0.000 peak  2817 weight  0.10000E+01 volume  0.31400E+01 ppm1      2.380 ppm2      1.726
 ASSI { 2825}
     (segid "    " and resid "18  " and name "HG1 ")
     (segid "    " and resid "19  " and name "HD1 ")
      5.000     5.000     0.000 peak  2825 weight  0.10000E+01 volume  0.35900E+00 ppm1      2.378 ppm2      3.984
 ASSI { 2837}
     (segid "    " and resid "18  " and name "HG2 ")
     (segid "    " and resid "19  " and name "HD2 ")
      6.000     6.000     0.000 peak  2837 weight  0.10000E+01 volume  0.24300E+00 ppm1      2.243 ppm2      3.803
 OR { 2837}
     (segid "    " and resid "18  " and name "HG2 ")
     (segid "    " and resid "20  " and name "HB1 ")
 ASSI { 2836}
     (segid "    " and resid "18  " and name "HG2 ")
     (segid "    " and resid "19  " and name "HD1 ")
      5.000     5.000     0.000 peak  2836 weight  0.10000E+01 volume  0.49500E+00 ppm1      2.252 ppm2      3.980
 ASSI { 2838}
     (segid "    " and resid "18  " and name "HG2 ")
     (segid "    " and resid "20  " and name "HN  ")
      6.000     6.000     0.000 peak  2838 weight  0.10000E+01 volume  0.22500E+00 ppm1      2.253 ppm2      7.065
 ASSI { 2834}
     (segid "    " and resid "18  " and name "HG2 ")
     (segid "    " and resid "18  " and name "HN  ")
      5.000     5.000     0.000 peak  2834 weight  0.10000E+01 volume  0.98500E+00 ppm1      2.252 ppm2      9.362
 ASSI { 2826}
     (segid "    " and resid "18  " and name "HG1 ")
     (segid "    " and resid "20  " and name "HN  ")
      6.000     6.000     0.000 peak  2826 weight  0.10000E+01 volume  0.22100E+00 ppm1      2.375 ppm2      7.051
 ASSI { 2827}
     (segid "    " and resid "18  " and name "HG1 ")
     (segid "    " and resid "19  " and name "HD2 ")
      6.000     6.000     0.000 peak  2827 weight  0.10000E+01 volume  0.25900E+00 ppm1      2.384 ppm2      3.802
 OR { 2827}
     (segid "    " and resid "18  " and name "HG1 ")
     (segid "    " and resid "20  " and name "HB1 ")
 ASSI { 2840}
     (segid "    " and resid "18  " and name "HG2 ")
     (segid "    " and resid "21  " and name "HN  ")
      6.000     6.000     0.000 peak  2840 weight  0.10000E+01 volume  0.74000E-01 ppm1      2.241 ppm2      7.837
 ASSI { 2830}
     (segid "    " and resid "18  " and name "HG1 ")
     (segid "    " and resid "17  " and name "HA  ")
      6.000     6.000     0.000 peak  2830 weight  0.10000E+01 volume  0.14900E+00 ppm1      2.379 ppm2      4.732
 ASSI { 2839}
     (segid "    " and resid "18  " and name "HG2 ")
     (segid "    " and resid "17  " and name "HA  ")
      6.000     6.000     0.000 peak  2839 weight  0.10000E+01 volume  0.15800E+00 ppm1      2.239 ppm2      4.731
 ASSI { 2822}
     (segid "    " and resid "18  " and name "HG1 ")
     (segid "    " and resid "18  " and name "HN  ")
      5.000     5.000     0.000 peak  2822 weight  0.10000E+01 volume  0.95900E+00 ppm1      2.383 ppm2      9.362
 ASSI { 2831}
     (segid "    " and resid "18  " and name "HG1 ")
     (segid "    " and resid "21  " and name "HN  ")
      6.000     6.000     0.000 peak  2831 weight  0.10000E+01 volume  0.69000E-01 ppm1      2.387 ppm2      7.840
 ASSI { 2702}
     (segid "    " and resid "16  " and name "HG2 ")
     (segid "    " and resid "15  " and name "HA  ")
      6.000     6.000     0.000 peak  2702 weight  0.10000E+01 volume  0.11900E+00 ppm1      1.987 ppm2      4.549
 ASSI { 2697}
     (segid "    " and resid "16  " and name "HG2 ")
     (segid "    " and resid "16  " and name "HN  ")
      5.000     5.000     0.000 peak  2697 weight  0.10000E+01 volume  0.31200E+00 ppm1      1.985 ppm2      8.151
 ASSI { 2689}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "16  " and name "HN  ")
      5.000     5.000     0.000 peak  2689 weight  0.10000E+01 volume  0.40100E+00 ppm1      2.073 ppm2      8.151
 ASSI { 2701}
     (segid "    " and resid "16  " and name "HG2 ")
     (segid "    " and resid "2   " and name "HA  ")
      6.000     6.000     0.000 peak  2701 weight  0.10000E+01 volume  0.12500E+00 ppm1      1.987 ppm2      4.668
 ASSI { 2699}
     (segid "    " and resid "16  " and name "HG2 ")
     (segid "    " and resid "17  " and name "HN  ")
      6.000     6.000     0.000 peak  2699 weight  0.10000E+01 volume  0.18400E+00 ppm1      1.979 ppm2      8.289
 ASSI { 2692}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "17  " and name "HN  ")
      6.000     6.000     0.000 peak  2692 weight  0.10000E+01 volume  0.23100E+00 ppm1      2.071 ppm2      8.303
 ASSI { 2693}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "15  " and name "HA  ")
      6.000     6.000     0.000 peak  2693 weight  0.10000E+01 volume  0.19100E+00 ppm1      2.070 ppm2      4.550
 ASSI { 2691}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "2   " and name "HA  ")
      6.000     6.000     0.000 peak  2691 weight  0.10000E+01 volume  0.27300E+00 ppm1      2.075 ppm2      4.647
 ASSI { 2704}
     (segid "    " and resid "16  " and name "HG2 ")
     (segid "    " and resid "2   " and name "HN  ")
      6.000     6.000     0.000 peak  2704 weight  0.10000E+01 volume  0.84000E-01 ppm1      1.979 ppm2      8.780
 OR { 2704}
     (segid "    " and resid "16  " and name "HG2 ")
     (segid "    " and resid "3   " and name "HN  ")
 OR { 2704}
     (segid "    " and resid "16  " and name "HG2 ")
     (segid "    " and resid "15  " and name "HN  ")
 ASSI { 2694}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "2   " and name "HN  ")
      6.000     6.000     0.000 peak  2694 weight  0.10000E+01 volume  0.13500E+00 ppm1      2.069 ppm2      8.759
 OR { 2694}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "3   " and name "HN  ")
 OR { 2694}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "15  " and name "HN  ")
 ASSI { 4608}
     (segid "    " and resid "51  " and name "HG1 ")
     (segid "    " and resid "49  " and name "HE22")
      6.000     6.000     0.000 peak  4608 weight  0.10000E+01 volume  0.72000E-01 ppm1      2.425 ppm2      6.867
 OR { 4608}
     (segid "    " and resid "51  " and name "HG1 ")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 4608}
     (segid "    " and resid "51  " and name "HG1 ")
     (segid "    " and resid "59  " and name "HE2 ")
 ASSI { 4617}
     (segid "    " and resid "51  " and name "HG2 ")
     (segid "    " and resid "50  " and name "HA  ")
      6.000     6.000     0.000 peak  4617 weight  0.10000E+01 volume  0.14000E+00 ppm1      2.294 ppm2      3.857
 ASSI { 4613}
     (segid "    " and resid "51  " and name "HG2 ")
     (segid "    " and resid "51  " and name "HN  ")
      5.000     5.000     0.000 peak  4613 weight  0.10000E+01 volume  0.87300E+00 ppm1      2.293 ppm2      8.205
 OR { 4613}
     (segid "    " and resid "51  " and name "HG2 ")
     (segid "    " and resid "52  " and name "HN  ")
 ASSI { 4606}
     (segid "    " and resid "51  " and name "HG1 ")
     (segid "    " and resid "50  " and name "HA  ")
      6.000     6.000     0.000 peak  4606 weight  0.10000E+01 volume  0.18100E+00 ppm1      2.421 ppm2      3.861
 ASSI { 4604}
     (segid "    " and resid "51  " and name "HG1 ")
     (segid "    " and resid "51  " and name "HN  ")
      5.000     5.000     0.000 peak  4604 weight  0.10000E+01 volume  0.10370E+01 ppm1      2.424 ppm2      8.203
 OR { 4604}
     (segid "    " and resid "51  " and name "HG1 ")
     (segid "    " and resid "52  " and name "HN  ")
 ASSI { 3746}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "34  " and name "HN  ")
      5.000     5.000     0.000 peak  3746 weight  0.10000E+01 volume  0.61800E+00 ppm1      2.167 ppm2      8.678
 ASSI { 2005}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "35  " and name "HN  ")
      6.000     6.000     0.000 peak  2005 weight  0.10000E+01 volume  0.71000E-01 ppm1      2.171 ppm2      8.498
 ASSI { 3748}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HG11")
      5.000     5.000     0.000 peak  3748 weight  0.10000E+01 volume  0.40900E+00 ppm1      2.172 ppm2      1.400
 OR { 3748}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HB  ")
 ASSI { 3747}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HG12")
      5.000     5.000     0.000 peak  3747 weight  0.10000E+01 volume  0.44900E+00 ppm1      2.170 ppm2      1.125
 OR { 3747}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "7   " and name "HG23")
 OR { 3747}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "7   " and name "HG22")
 OR { 3747}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "7   " and name "HG21")
 ASSI { 3752}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HN  ")
      6.000     6.000     0.000 peak  3752 weight  0.10000E+01 volume  0.99000E-01 ppm1      2.171 ppm2      6.197
 ASSI { 3763}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "35  " and name "HN  ")
      6.000     6.000     0.000 peak  3763 weight  0.10000E+01 volume  0.62000E-01 ppm1      2.072 ppm2      8.500
 ASSI { 3762}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HN  ")
      6.000     6.000     0.000 peak  3762 weight  0.10000E+01 volume  0.99000E-01 ppm1      2.078 ppm2      6.198
 ASSI { 3760}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "7   " and name "HG23")
      5.000     5.000     0.000 peak  3760 weight  0.10000E+01 volume  0.39100E+00 ppm1      2.086 ppm2      1.121
 OR { 3760}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "7   " and name "HG22")
 OR { 3760}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HG12")
 OR { 3760}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "7   " and name "HG21")
 ASSI { 3761}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HG11")
      5.000     5.000     0.000 peak  3761 weight  0.10000E+01 volume  0.31000E+00 ppm1      2.080 ppm2      1.404
 OR { 3761}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HB  ")
 ASSI { 1951}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "11  " and name "HE2 ")
      6.000     6.000     0.000 peak  1951 weight  0.10000E+01 volume  0.94000E-01 ppm1      2.173 ppm2      2.910
 OR { 1951}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 3757}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HG23")
      5.000     5.000     0.000 peak  3757 weight  0.10000E+01 volume  0.67100E+00 ppm1      2.084 ppm2      0.662
 OR { 3757}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HG21")
 OR { 3757}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HG22")
 OR { 3757}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "30  " and name "HG12")
 ASSI { 3756}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "13  " and name "HD12")
      3.300     3.300     0.000 peak  3756 weight  0.10000E+01 volume  0.17060E+01 ppm1      2.084 ppm2      0.801
 OR { 3756}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 3756}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 3756}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 3756}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 3756}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 3756}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 3756}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 3756}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HD11")
 ASSI { 3758}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "34  " and name "HN  ")
      5.000     5.000     0.000 peak  3758 weight  0.10000E+01 volume  0.51600E+00 ppm1      2.081 ppm2      8.679
 ASSI { 3513}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "41  " and name "HE22")
      5.000     5.000     0.000 peak  3513 weight  0.10000E+01 volume  0.60300E+00 ppm1      2.196 ppm2      6.434
 ASSI { 3511}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "27  " and name "HA  ")
      5.000     5.000     0.000 peak  3511 weight  0.10000E+01 volume  0.11340E+01 ppm1      2.200 ppm2      4.642
 ASSI { 3518}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "29  " and name "HN  ")
      6.000     6.000     0.000 peak  3518 weight  0.10000E+01 volume  0.12600E+00 ppm1      2.202 ppm2      7.868
 ASSI { 3503}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "30  " and name "HN  ")
      2.700     2.700     0.000 peak  3503 weight  0.10000E+01 volume  0.32950E+01 ppm1      2.200 ppm2      8.099
 ASSI { 2054}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "30  " and name "HG21")
      2.700     2.700     0.000 peak  2054 weight  0.10000E+01 volume  0.59230E+01 ppm1      2.201 ppm2      0.664
 OR { 2054}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "30  " and name "HG22")
 OR { 2054}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "30  " and name "HG23")
 OR { 2054}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "30  " and name "HG12")
 ASSI { 2049}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "30  " and name "HD12")
      2.700     2.700     0.000 peak  2049 weight  0.10000E+01 volume  0.43160E+01 ppm1      2.201 ppm2      0.815
 OR { 2049}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 2049}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "30  " and name "HD13")
 ASSI { 3506}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "41  " and name "HE21")
      3.300     3.300     0.000 peak  3506 weight  0.10000E+01 volume  0.16100E+01 ppm1      2.197 ppm2      6.698
 ASSI { 3515}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "63  " and name "HA  ")
      6.000     6.000     0.000 peak  3515 weight  0.10000E+01 volume  0.29100E+00 ppm1      2.182 ppm2      4.042
 OR { 3515}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "63  " and name "HA  ")
 OR { 3515}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "1   " and name "HA  ")
 OR { 3515}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "38  " and name "HA  ")
 OR { 3515}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "1   " and name "HA  ")
 OR { 3515}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 3515}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 3515}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 3515}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "63  " and name "HA  ")
 OR { 3515}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "1   " and name "HA  ")
 OR { 3515}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "38  " and name "HA  ")
 OR { 3515}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HA  ")
 ASSI { 4963}
     (segid "    " and resid "60  " and name "HB1 ")
     (segid "    " and resid "60  " and name "HD22")
      5.000     5.000     0.000 peak  4963 weight  0.10000E+01 volume  0.37100E+00 ppm1      2.834 ppm2      6.831
 OR { 4963}
     (segid "    " and resid "60  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HN  ")
 ASSI { 4955}
     (segid "    " and resid "60  " and name "HB2 ")
     (segid "    " and resid "60  " and name "HN  ")
      5.000     5.000     0.000 peak  4955 weight  0.10000E+01 volume  0.34900E+00 ppm1      3.235 ppm2      8.155
 ASSI { 3153}
     (segid "    " and resid "24  " and name "HG2 ")
     (segid "    " and resid "25  " and name "HN  ")
      6.000     6.000     0.000 peak  3153 weight  0.10000E+01 volume  0.20500E+00 ppm1      2.331 ppm2      7.964
 ASSI { 3508}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "64  " and name "HN  ")
      5.000     5.000     0.000 peak  3508 weight  0.10000E+01 volume  0.10520E+01 ppm1      2.174 ppm2      9.123
 OR { 3508}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "64  " and name "HN  ")
 ASSI { 3152}
     (segid "    " and resid "24  " and name "HG2 ")
     (segid "    " and resid "24  " and name "HN  ")
      5.000     5.000     0.000 peak  3152 weight  0.10000E+01 volume  0.48500E+00 ppm1      2.323 ppm2     10.180
 ASSI { 3149}
     (segid "    " and resid "24  " and name "HG1 ")
     (segid "    " and resid "52  " and name "HA  ")
      6.000     6.000     0.000 peak  3149 weight  0.10000E+01 volume  0.99000E-01 ppm1      2.474 ppm2      4.276
 ASSI { 3154}
     (segid "    " and resid "24  " and name "HG2 ")
     (segid "    " and resid "52  " and name "HA  ")
      6.000     6.000     0.000 peak  3154 weight  0.10000E+01 volume  0.15500E+00 ppm1      2.330 ppm2      4.271
 ASSI { 1981}
     (segid "    " and resid "24  " and name "HG1 ")
     (segid "    " and resid "24  " and name "HN  ")
      5.000     5.000     0.000 peak  1981 weight  0.10000E+01 volume  0.44600E+00 ppm1      2.470 ppm2     10.181
 ASSI { 3509}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "4   " and name "HE1 ")
      5.000     5.000     0.000 peak  3509 weight  0.10000E+01 volume  0.11620E+01 ppm1      2.177 ppm2      7.241
 OR { 3509}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "4   " and name "HZ  ")
 OR { 3509}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "4   " and name "HZ  ")
 OR { 3509}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "4   " and name "HE2 ")
 OR { 3509}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "4   " and name "HE1 ")
 OR { 3509}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "4   " and name "HE2 ")
 ASSI { 3510}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "63  " and name "HG2 ")
      5.000     5.000     0.000 peak  3510 weight  0.10000E+01 volume  0.14100E+01 ppm1      2.181 ppm2      1.475
 OR { 3510}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "63  " and name "HG1 ")
 OR { 3510}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "63  " and name "HG1 ")
 OR { 3510}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "63  " and name "HG2 ")
 OR { 3510}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "36  " and name "HB  ")
 OR { 3510}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 3510}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "26  " and name "HG  ")
 OR { 3510}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "26  " and name "HG  ")
 OR { 3510}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "26  " and name "HG  ")
 OR { 3510}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "63  " and name "HG1 ")
 OR { 3510}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "63  " and name "HG2 ")
 OR { 3510}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HB  ")
 OR { 3510}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HB  ")
 OR { 3510}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 3510}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "27  " and name "HB1 ")
 ASSI { 4962}
     (segid "    " and resid "60  " and name "HB1 ")
     (segid "    " and resid "60  " and name "HD21")
      5.000     5.000     0.000 peak  4962 weight  0.10000E+01 volume  0.71800E+00 ppm1      2.833 ppm2      7.543
 ASSI { 4961}
     (segid "    " and resid "60  " and name "HB1 ")
     (segid "    " and resid "60  " and name "HN  ")
      5.000     5.000     0.000 peak  4961 weight  0.10000E+01 volume  0.73500E+00 ppm1      2.831 ppm2      8.158
 ASSI { 3514}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "3   " and name "HA  ")
      6.000     6.000     0.000 peak  3514 weight  0.10000E+01 volume  0.21500E+00 ppm1      2.176 ppm2      4.436
 OR { 3514}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "3   " and name "HA  ")
 OR { 3514}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "36  " and name "HA  ")
 OR { 3514}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "3   " and name "HA  ")
 OR { 3514}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HA  ")
 OR { 3514}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HA  ")
 ASSI { 4954}
     (segid "    " and resid "60  " and name "HB2 ")
     (segid "    " and resid "60  " and name "HD22")
      5.000     5.000     0.000 peak  4954 weight  0.10000E+01 volume  0.37200E+00 ppm1      3.232 ppm2      6.833
 OR { 4954}
     (segid "    " and resid "60  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HN  ")
 ASSI { 4951}
     (segid "    " and resid "60  " and name "HB2 ")
     (segid "    " and resid "60  " and name "HD21")
      5.000     5.000     0.000 peak  4951 weight  0.10000E+01 volume  0.64900E+00 ppm1      3.239 ppm2      7.545
 ASSI { 8550}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "4   " and name "HD2 ")
      6.000     6.000     0.000 peak  8550 weight  0.10000E+01 volume  0.18000E+00 ppm1      2.175 ppm2      7.125
 OR { 8550}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "4   " and name "HD1 ")
 OR { 8550}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "4   " and name "HD1 ")
 OR { 8550}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "4   " and name "HD2 ")
 ASSI { 8553}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "33  " and name "HN  ")
      6.000     6.000     0.000 peak  8553 weight  0.10000E+01 volume  0.15700E+00 ppm1      2.182 ppm2      7.346
 OR { 8553}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "41  " and name "HN  ")
 ASSI { 3192}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HA  ")
      6.000     6.000     0.000 peak  3192 weight  0.10000E+01 volume  0.90000E-01 ppm1      3.139 ppm2      4.015
 ASSI { 3175}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "25  " and name "HN  ")
      3.300     3.300     0.000 peak  3175 weight  0.10000E+01 volume  0.22370E+01 ppm1      3.146 ppm2      7.959
 ASSI { 3185}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "25  " and name "HD21")
      5.000     5.000     0.000 peak  3185 weight  0.10000E+01 volume  0.60000E+00 ppm1      3.148 ppm2      8.069
 ASSI { 3181}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HN  ")
      5.000     5.000     0.000 peak  3181 weight  0.10000E+01 volume  0.11310E+01 ppm1      3.146 ppm2      7.737
 ASSI { 3204}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HB2 ")
      6.000     6.000     0.000 peak  3204 weight  0.10000E+01 volume  0.17600E+00 ppm1      2.837 ppm2      1.250
 OR { 3204}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HG23")
 OR { 3204}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 3204}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 3204}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HB2 ")
 ASSI { 3197}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HN  ")
      5.000     5.000     0.000 peak  3197 weight  0.10000E+01 volume  0.81500E+00 ppm1      2.846 ppm2      7.737
 ASSI { 3186}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HD2 ")
      6.000     6.000     0.000 peak  3186 weight  0.10000E+01 volume  0.20600E+00 ppm1      3.147 ppm2      1.621
 OR { 3186}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HG2 ")
 OR { 3186}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "28  " and name "HB3 ")
 OR { 3186}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "28  " and name "HB1 ")
 OR { 3186}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "28  " and name "HB2 ")
 ASSI { 3201}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "25  " and name "HD21")
      5.000     5.000     0.000 peak  3201 weight  0.10000E+01 volume  0.47100E+00 ppm1      2.846 ppm2      8.071
 ASSI { 3196}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "25  " and name "HN  ")
      5.000     5.000     0.000 peak  3196 weight  0.10000E+01 volume  0.12840E+01 ppm1      2.846 ppm2      7.960
 ASSI { 3182}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HN  ")
      5.000     5.000     0.000 peak  3182 weight  0.10000E+01 volume  0.12070E+01 ppm1      3.147 ppm2      8.240
 ASSI { 3184}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD13")
      5.000     5.000     0.000 peak  3184 weight  0.10000E+01 volume  0.51200E+00 ppm1      3.145 ppm2      0.845
 OR { 3184}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD12")
 OR { 3184}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD11")
 ASSI { 3203}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "25  " and name "HD22")
      6.000     6.000     0.000 peak  3203 weight  0.10000E+01 volume  0.26100E+00 ppm1      2.842 ppm2      6.893
 ASSI { 3199}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HN  ")
      5.000     5.000     0.000 peak  3199 weight  0.10000E+01 volume  0.52500E+00 ppm1      2.845 ppm2      8.244
 ASSI { 3206}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HA  ")
      6.000     6.000     0.000 peak  3206 weight  0.10000E+01 volume  0.96000E-01 ppm1      2.845 ppm2      4.014
 ASSI { 3202}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HD2 ")
      5.000     5.000     0.000 peak  3202 weight  0.10000E+01 volume  0.40400E+00 ppm1      2.846 ppm2      1.615
 OR { 3202}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HG2 ")
 OR { 3202}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HB1 ")
 OR { 3202}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HB3 ")
 OR { 3202}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HB2 ")
 ASSI { 3200}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD22")
      5.000     5.000     0.000 peak  3200 weight  0.10000E+01 volume  0.57000E+00 ppm1      2.846 ppm2      0.731
 OR { 3200}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD21")
 OR { 3200}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD23")
 OR { 3200}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 3200}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 3200}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 3200}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HD11")
 ASSI { 3190}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD21")
      5.000     5.000     0.000 peak  3190 weight  0.10000E+01 volume  0.43200E+00 ppm1      3.144 ppm2      0.732
 OR { 3190}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 3190}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD23")
 OR { 3190}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 3190}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 3190}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 3190}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HD13")
 ASSI { 3187}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "25  " and name "HD22")
      6.000     6.000     0.000 peak  3187 weight  0.10000E+01 volume  0.25200E+00 ppm1      3.144 ppm2      6.890
 ASSI { 3189}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HB2 ")
      6.000     6.000     0.000 peak  3189 weight  0.10000E+01 volume  0.24900E+00 ppm1      3.142 ppm2      1.253
 OR { 3189}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HG23")
 OR { 3189}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 3189}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 3189}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HB2 ")
 ASSI { 3183}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "21  " and name "HB1 ")
      5.000     5.000     0.000 peak  3183 weight  0.10000E+01 volume  0.11940E+01 ppm1      3.147 ppm2      2.727
 ASSI { 3191}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "21  " and name "HA  ")
      6.000     6.000     0.000 peak  3191 weight  0.10000E+01 volume  0.22200E+00 ppm1      3.136 ppm2      4.854
 ASSI { 4791}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HD22")
      6.000     6.000     0.000 peak  4791 weight  0.10000E+01 volume  0.98000E-01 ppm1      1.279 ppm2     -0.084
 OR { 4791}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HD23")
 OR { 4791}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HD21")
 ASSI { 4788}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "1   " and name "HG1 ")
      6.000     6.000     0.000 peak  4788 weight  0.10000E+01 volume  0.73000E-01 ppm1      1.285 ppm2      2.546
 OR { 4788}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HB2 ")
 ASSI { 4777}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HA  ")
      2.700     2.700     0.000 peak  4777 weight  0.10000E+01 volume  0.32570E+01 ppm1      1.282 ppm2      4.100
 OR { 4777}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HA  ")
 ASSI { 4768}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD13")
      3.300     3.300     0.000 peak  4768 weight  0.10000E+01 volume  0.19440E+01 ppm1      2.000 ppm2      0.696
 OR { 4768}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 4768}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD12")
 ASSI { 4762}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HA  ")
      2.700     2.700     0.000 peak  4762 weight  0.10000E+01 volume  0.37890E+01 ppm1      2.005 ppm2      4.112
 OR { 4762}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HA  ")
 ASSI { 4772}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "21  " and name "HN  ")
      6.000     6.000     0.000 peak  4772 weight  0.10000E+01 volume  0.13900E+00 ppm1      2.001 ppm2      7.843
 OR { 4772}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "58  " and name "HN  ")
 ASSI { 4781}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "57  " and name "HN  ")
      5.000     5.000     0.000 peak  4781 weight  0.10000E+01 volume  0.11420E+01 ppm1      1.281 ppm2      8.665
 OR { 4781}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HN  ")
 ASSI { 4779}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD11")
      3.300     3.300     0.000 peak  4779 weight  0.10000E+01 volume  0.16710E+01 ppm1      1.285 ppm2      0.696
 OR { 4779}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 4779}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD12")
 ASSI { 4787}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HB1 ")
      6.000     6.000     0.000 peak  4787 weight  0.10000E+01 volume  0.15000E+00 ppm1      1.275 ppm2      2.356
 OR { 4787}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 4787}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 4787}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HB2 ")
 ASSI { 4778}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HD12")
      3.300     3.300     0.000 peak  4778 weight  0.10000E+01 volume  0.27270E+01 ppm1      1.282 ppm2      0.555
 OR { 4778}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 4778}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 4778}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 4778}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 4778}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD21")
 ASSI { 4769}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HN  ")
      3.300     3.300     0.000 peak  4769 weight  0.10000E+01 volume  0.21210E+01 ppm1      2.002 ppm2      8.665
 OR { 4769}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "57  " and name "HN  ")
 ASSI { 4782}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HB1 ")
      5.000     5.000     0.000 peak  4782 weight  0.10000E+01 volume  0.47400E+00 ppm1      1.288 ppm2      0.969
 ASSI { 4770}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HD12")
      3.300     3.300     0.000 peak  4770 weight  0.10000E+01 volume  0.17790E+01 ppm1      2.002 ppm2      0.556
 OR { 4770}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 4770}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 4770}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 4770}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 4770}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HD13")
 ASSI { 4790}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HD2 ")
      6.000     6.000     0.000 peak  4790 weight  0.10000E+01 volume  0.72000E-01 ppm1      1.294 ppm2      7.211
 OR { 4790}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HD1 ")
 ASSI { 4785}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "57  " and name "HA  ")
      6.000     6.000     0.000 peak  4785 weight  0.10000E+01 volume  0.12800E+00 ppm1      1.285 ppm2      4.402
 ASSI { 4784}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HN  ")
      6.000     6.000     0.000 peak  4784 weight  0.10000E+01 volume  0.12600E+00 ppm1      1.280 ppm2      6.814
 ASSI { 4771}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HB1 ")
      6.000     6.000     0.000 peak  4771 weight  0.10000E+01 volume  0.22700E+00 ppm1      2.003 ppm2      2.377
 ASSI { 4789}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "55  " and name "HB  ")
      6.000     6.000     0.000 peak  4789 weight  0.10000E+01 volume  0.47000E-01 ppm1      1.288 ppm2      4.600
 OR { 4789}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "62  " and name "HA  ")
 OR { 4789}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HB  ")
 ASSI { 4775}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "55  " and name "HB  ")
      6.000     6.000     0.000 peak  4775 weight  0.10000E+01 volume  0.77000E-01 ppm1      1.999 ppm2      4.578
 ASSI { 4773}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HB1 ")
      6.000     6.000     0.000 peak  4773 weight  0.10000E+01 volume  0.12900E+00 ppm1      2.000 ppm2      0.979
 OR { 4773}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 4773}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG21")
 ASSI { 4774}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HA  ")
      6.000     6.000     0.000 peak  4774 weight  0.10000E+01 volume  0.12900E+00 ppm1      2.003 ppm2      4.962
 OR { 4774}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "55  " and name "HA  ")
 ASSI { 4926}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HB1 ")
      6.000     6.000     0.000 peak  4926 weight  0.10000E+01 volume  0.12600E+00 ppm1      3.436 ppm2      0.978
 OR { 4926}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 4926}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 4926}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 4926}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 4926}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG23")
 OR { 4926}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 4926}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 4926}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 4926}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 4926}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "61  " and name "HB1 ")
 OR { 4926}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 4926}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 4926}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG23")
 ASSI { 4912}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HE2 ")
      5.000     5.000     0.000 peak  4912 weight  0.10000E+01 volume  0.13960E+01 ppm1      3.438 ppm2      7.493
 OR { 4912}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HE1 ")
 OR { 4912}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HN  ")
 OR { 4912}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "60  " and name "HD21")
 ASSI { 4916}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HD12")
      5.000     5.000     0.000 peak  4916 weight  0.10000E+01 volume  0.10120E+01 ppm1      3.438 ppm2      0.549
 OR { 4916}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 4916}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 4916}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 4916}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD22")
 ASSI { 4918}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HN  ")
      5.000     5.000     0.000 peak  4918 weight  0.10000E+01 volume  0.46000E+00 ppm1      3.435 ppm2      6.833
 OR { 4918}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "60  " and name "HD22")
 OR { 4918}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 4918}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HE1 ")
 ASSI { 4937}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HA  ")
      6.000     6.000     0.000 peak  4937 weight  0.10000E+01 volume  0.21400E+00 ppm1      2.567 ppm2      4.097
 ASSI { 4939}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HB2 ")
      6.000     6.000     0.000 peak  4939 weight  0.10000E+01 volume  0.23600E+00 ppm1      2.570 ppm2      1.305
 OR { 4939}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HB1 ")
 ASSI { 4936}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "60  " and name "HN  ")
      6.000     6.000     0.000 peak  4936 weight  0.10000E+01 volume  0.26000E+00 ppm1      2.571 ppm2      8.158
 ASSI { 4940}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "67  " and name "HD13")
      6.000     6.000     0.000 peak  4940 weight  0.10000E+01 volume  0.12100E+00 ppm1      2.567 ppm2      0.671
 OR { 4940}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 4940}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 4940}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 4940}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 4940}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 4940}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HD22")
 OR { 4940}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HD23")
 OR { 4940}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HD21")
 ASSI { 4929}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HN  ")
      3.300     3.300     0.000 peak  4929 weight  0.10000E+01 volume  0.18980E+01 ppm1      2.570 ppm2      7.493
 ASSI { 4941}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HB1 ")
      6.000     6.000     0.000 peak  4941 weight  0.10000E+01 volume  0.15900E+00 ppm1      2.568 ppm2      0.992
 OR { 4941}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 4941}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 4941}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 4941}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HG  ")
 ASSI { 4919}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD21")
      5.000     5.000     0.000 peak  4919 weight  0.10000E+01 volume  0.36500E+00 ppm1      3.434 ppm2      0.038
 OR { 4919}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD22")
 OR { 4919}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD23")
 ASSI { 4933}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HN  ")
      5.000     5.000     0.000 peak  4933 weight  0.10000E+01 volume  0.56800E+00 ppm1      2.573 ppm2      6.831
 OR { 4933}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 4933}
     (segid "    " and resid "59  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HE1 ")
 ASSI { 4023}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HG1 ")
      6.000     6.000     0.000 peak  4023 weight  0.10000E+01 volume  0.12100E+00 ppm1      2.757 ppm2      2.385
 OR { 4023}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HG2 ")
 OR { 4023}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "37  " and name "HB1 ")
 ASSI { 4021}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HN  ")
      6.000     6.000     0.000 peak  4021 weight  0.10000E+01 volume  0.18700E+00 ppm1      2.749 ppm2      7.913
 ASSI { 4025}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "37  " and name "HG2 ")
      6.000     6.000     0.000 peak  4025 weight  0.10000E+01 volume  0.11300E+00 ppm1      2.750 ppm2      2.049
 OR { 4025}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HB2 ")
 OR { 4025}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "37  " and name "HG1 ")
 ASSI { 4026}
     (segid "    " and resid "39  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HN  ")
      6.000     6.000     0.000 peak  4026 weight  0.10000E+01 volume  0.20800E+00 ppm1      2.665 ppm2      7.912
 ASSI { 2441}
     (segid "    " and resid "39  " and name "HB2 ")
     (segid "    " and resid "37  " and name "HG2 ")
      6.000     6.000     0.000 peak  2441 weight  0.10000E+01 volume  0.15100E+00 ppm1      2.666 ppm2      2.045
 OR { 2441}
     (segid "    " and resid "39  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HB2 ")
 OR { 2441}
     (segid "    " and resid "39  " and name "HB2 ")
     (segid "    " and resid "37  " and name "HG1 ")
 ASSI { 4022}
     (segid "    " and resid "39  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HN  ")
      5.000     5.000     0.000 peak  4022 weight  0.10000E+01 volume  0.13230E+01 ppm1      2.669 ppm2      8.534
 ASSI { 4015}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "39  " and name "HN  ")
      5.000     5.000     0.000 peak  4015 weight  0.10000E+01 volume  0.14120E+01 ppm1      2.751 ppm2      8.539
 ASSI { 4887}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HE2 ")
      6.000     6.000     0.000 peak  4887 weight  0.10000E+01 volume  0.28000E+00 ppm1      2.938 ppm2      6.847
 OR { 4887}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 4887}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HN  ")
 ASSI { 4883}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HN  ")
      5.000     5.000     0.000 peak  4883 weight  0.10000E+01 volume  0.56500E+00 ppm1      2.935 ppm2      7.491
 ASSI { 4882}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "55  " and name "HN  ")
      5.000     5.000     0.000 peak  4882 weight  0.10000E+01 volume  0.76800E+00 ppm1      2.936 ppm2      8.706
 ASSI { 4877}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "58  " and name "HB1 ")
      2.700     2.700     0.000 peak  4877 weight  0.10000E+01 volume  0.12354E+02 ppm1      2.934 ppm2      2.292
 ASSI { 4898}
     (segid "    " and resid "58  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HE1 ")
      6.000     6.000     0.000 peak  4898 weight  0.10000E+01 volume  0.19100E+00 ppm1      2.264 ppm2      6.839
 OR { 4898}
     (segid "    " and resid "58  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 4898}
     (segid "    " and resid "58  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HN  ")
 ASSI { 4895}
     (segid "    " and resid "58  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HN  ")
      5.000     5.000     0.000 peak  4895 weight  0.10000E+01 volume  0.37600E+00 ppm1      2.260 ppm2      7.491
 ASSI { 4880}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "58  " and name "HN  ")
      3.300     3.300     0.000 peak  4880 weight  0.10000E+01 volume  0.20850E+01 ppm1      2.932 ppm2      7.849
 ASSI { 3807}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "41  " and name "HE21")
      6.000     6.000     0.000 peak  3807 weight  0.10000E+01 volume  0.23000E+00 ppm1      1.445 ppm2      6.697
 ASSI { 4899}
     (segid "    " and resid "58  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HE  ")
      6.000     6.000     0.000 peak  4899 weight  0.10000E+01 volume  0.24800E+00 ppm1      2.262 ppm2      7.214
 OR { 4899}
     (segid "    " and resid "58  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 4899}
     (segid "    " and resid "58  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HD2 ")
 ASSI { 4896}
     (segid "    " and resid "58  " and name "HB1 ")
     (segid "    " and resid "55  " and name "HN  ")
      5.000     5.000     0.000 peak  4896 weight  0.10000E+01 volume  0.41100E+00 ppm1      2.260 ppm2      8.709
 OR { 4896}
     (segid "    " and resid "58  " and name "HB1 ")
     (segid "    " and resid "57  " and name "HN  ")
 ASSI { 4897}
     (segid "    " and resid "58  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HD1 ")
      5.000     5.000     0.000 peak  4897 weight  0.10000E+01 volume  0.54800E+00 ppm1      2.254 ppm2      3.190
 OR { 4897}
     (segid "    " and resid "58  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HD2 ")
 ASSI { 4903}
     (segid "    " and resid "58  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HA  ")
      6.000     6.000     0.000 peak  4903 weight  0.10000E+01 volume  0.84000E-01 ppm1      2.267 ppm2      4.540
 ASSI { 4894}
     (segid "    " and resid "58  " and name "HB1 ")
     (segid "    " and resid "58  " and name "HN  ")
      5.000     5.000     0.000 peak  4894 weight  0.10000E+01 volume  0.11430E+01 ppm1      2.261 ppm2      7.849
 ASSI { 4891}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "55  " and name "HB  ")
      6.000     6.000     0.000 peak  4891 weight  0.10000E+01 volume  0.94000E-01 ppm1      2.934 ppm2      4.548
 OR { 4891}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HA  ")
 ASSI { 3802}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "41  " and name "HG1 ")
      5.000     5.000     0.000 peak  3802 weight  0.10000E+01 volume  0.42000E+00 ppm1      1.445 ppm2      2.519
 ASSI { 3798}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "30  " and name "HG22")
      5.000     5.000     0.000 peak  3798 weight  0.10000E+01 volume  0.10790E+01 ppm1      1.450 ppm2      0.665
 OR { 3798}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "30  " and name "HG23")
 OR { 3798}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "30  " and name "HG21")
 ASSI { 4884}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "54  " and name "HE  ")
      6.000     6.000     0.000 peak  4884 weight  0.10000E+01 volume  0.28700E+00 ppm1      2.932 ppm2      7.208
 OR { 4884}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 4884}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HD1 ")
 ASSI { 3806}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "41  " and name "HA  ")
      6.000     6.000     0.000 peak  3806 weight  0.10000E+01 volume  0.23800E+00 ppm1      1.443 ppm2      4.171
 OR { 3806}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "37  " and name "HD1 ")
 OR { 3806}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "35  " and name "HA1 ")
 ASSI { 3800}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "41  " and name "HE22")
      5.000     5.000     0.000 peak  3800 weight  0.10000E+01 volume  0.61900E+00 ppm1      1.446 ppm2      6.437
 ASSI { 3804}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "34  " and name "HB1 ")
      5.000     5.000     0.000 peak  3804 weight  0.10000E+01 volume  0.34500E+00 ppm1      1.451 ppm2      2.113
 OR { 3804}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "34  " and name "HG2 ")
 OR { 3804}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "37  " and name "HG2 ")
 OR { 3804}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "37  " and name "HG1 ")
 ASSI { 4646}
     (segid "    " and resid "52  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HB  ")
      6.000     6.000     0.000 peak  4646 weight  0.10000E+01 volume  0.11500E+00 ppm1      2.467 ppm2      2.173
 OR { 4646}
     (segid "    " and resid "52  " and name "HB2 ")
     (segid "    " and resid "51  " and name "HB1 ")
 ASSI { 3801}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "31  " and name "HA  ")
      5.000     5.000     0.000 peak  3801 weight  0.10000E+01 volume  0.33300E+00 ppm1      1.448 ppm2      3.780
 ASSI { 4637}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "24  " and name "HA  ")
      6.000     6.000     0.000 peak  4637 weight  0.10000E+01 volume  0.18300E+00 ppm1      2.638 ppm2      3.907
 OR { 4637}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "53  " and name "HA2 ")
 ASSI { 3808}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "37  " and name "HD2 ")
      6.000     6.000     0.000 peak  3808 weight  0.10000E+01 volume  0.15500E+00 ppm1      1.444 ppm2      3.552
 ASSI { 3795}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "36  " and name "HN  ")
      3.300     3.300     0.000 peak  3795 weight  0.10000E+01 volume  0.22980E+01 ppm1      1.445 ppm2      6.197
 ASSI { 4645}
     (segid "    " and resid "52  " and name "HB2 ")
     (segid "    " and resid "24  " and name "HB2 ")
      6.000     6.000     0.000 peak  4645 weight  0.10000E+01 volume  0.21300E+00 ppm1      2.468 ppm2      2.032
 OR { 4645}
     (segid "    " and resid "52  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HB2 ")
 OR { 4645}
     (segid "    " and resid "52  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 4645}
     (segid "    " and resid "52  " and name "HB2 ")
     (segid "    " and resid "24  " and name "HB1 ")
 ASSI { 4640}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG12")
      6.000     6.000     0.000 peak  4640 weight  0.10000E+01 volume  0.16300E+00 ppm1      2.637 ppm2      0.731
 OR { 4640}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 4640}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG13")
 ASSI { 4647}
     (segid "    " and resid "52  " and name "HB2 ")
     (segid "    " and resid "51  " and name "HA  ")
      6.000     6.000     0.000 peak  4647 weight  0.10000E+01 volume  0.16000E+00 ppm1      2.484 ppm2      4.545
 OR { 4647}
     (segid "    " and resid "52  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HB  ")
 ASSI { 4639}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "51  " and name "HA  ")
      6.000     6.000     0.000 peak  4639 weight  0.10000E+01 volume  0.13100E+00 ppm1      2.635 ppm2      4.545
 OR { 4639}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HB  ")
 ASSI { 4635}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "53  " and name "HN  ")
      5.000     5.000     0.000 peak  4635 weight  0.10000E+01 volume  0.84200E+00 ppm1      2.636 ppm2      9.978
 ASSI { 4257}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "44  " and name "HD13")
      2.700     2.700     0.000 peak  4257 weight  0.10000E+01 volume  0.50410E+01 ppm1      1.794 ppm2      0.687
 OR { 4257}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 4257}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 4257}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 4257}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "44  " and name "HD12")
 ASSI { 4650}
     (segid "    " and resid "52  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG12")
      6.000     6.000     0.000 peak  4650 weight  0.10000E+01 volume  0.15200E+00 ppm1      2.467 ppm2      0.721
 OR { 4650}
     (segid "    " and resid "52  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 4650}
     (segid "    " and resid "52  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG13")
 ASSI { 4649}
     (segid "    " and resid "52  " and name "HB2 ")
     (segid "    " and resid "53  " and name "HA2 ")
      6.000     6.000     0.000 peak  4649 weight  0.10000E+01 volume  0.15900E+00 ppm1      2.466 ppm2      3.911
 ASSI { 4266}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "70  " and name "HG11")
      6.000     6.000     0.000 peak  4266 weight  0.10000E+01 volume  0.21800E+00 ppm1      1.796 ppm2      0.957
 OR { 4266}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "70  " and name "HG13")
 OR { 4266}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "70  " and name "HG12")
 OR { 4266}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "8   " and name "HD23")
 OR { 4266}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "8   " and name "HD21")
 OR { 4266}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "8   " and name "HD22")
 ASSI { 4638}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HB  ")
      6.000     6.000     0.000 peak  4638 weight  0.10000E+01 volume  0.19600E+00 ppm1      2.630 ppm2      2.177
 OR { 4638}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "51  " and name "HB1 ")
 ASSI { 4644}
     (segid "    " and resid "52  " and name "HB2 ")
     (segid "    " and resid "53  " and name "HN  ")
      5.000     5.000     0.000 peak  4644 weight  0.10000E+01 volume  0.58200E+00 ppm1      2.472 ppm2      9.982
 ASSI { 4268}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "47  " and name "HN  ")
      6.000     6.000     0.000 peak  4268 weight  0.10000E+01 volume  0.73000E-01 ppm1      1.792 ppm2      8.074
 OR { 4268}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "48  " and name "HN  ")
 ASSI { 4263}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "68  " and name "HN  ")
      5.000     5.000     0.000 peak  4263 weight  0.10000E+01 volume  0.42500E+00 ppm1      1.796 ppm2      9.356
 ASSI { 4636}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "24  " and name "HB2 ")
      5.000     5.000     0.000 peak  4636 weight  0.10000E+01 volume  0.34500E+00 ppm1      2.648 ppm2      2.019
 OR { 4636}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HB2 ")
 OR { 4636}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "24  " and name "HB1 ")
 OR { 4636}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HB2 ")
 ASSI { 4262}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "70  " and name "HG22")
      5.000     5.000     0.000 peak  4262 weight  0.10000E+01 volume  0.64400E+00 ppm1      1.794 ppm2      0.828
 OR { 4262}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "70  " and name "HG21")
 OR { 4262}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "70  " and name "HG23")
 OR { 4262}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 4262}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 4262}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 4262}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 4262}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 4262}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "43  " and name "HD22")
 ASSI { 4258}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "44  " and name "HN  ")
      3.300     3.300     0.000 peak  4258 weight  0.10000E+01 volume  0.24630E+01 ppm1      1.794 ppm2      9.152
 ASSI { 4633}
     (segid "    " and resid "52  " and name "HB1 ")
     (segid "    " and resid "52  " and name "HN  ")
      3.300     3.300     0.000 peak  4633 weight  0.10000E+01 volume  0.15890E+01 ppm1      2.634 ppm2      8.180
 ASSI { 2021}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "12  " and name "HA  ")
      6.000     6.000     0.000 peak  2021 weight  0.10000E+01 volume  0.22700E+00 ppm1      2.811 ppm2      5.131
 ASSI { 4642}
     (segid "    " and resid "52  " and name "HB2 ")
     (segid "    " and resid "52  " and name "HN  ")
      3.300     3.300     0.000 peak  4642 weight  0.10000E+01 volume  0.17560E+01 ppm1      2.470 ppm2      8.179
 ASSI { 4269}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "68  " and name "HA  ")
      6.000     6.000     0.000 peak  4269 weight  0.10000E+01 volume  0.15300E+00 ppm1      1.800 ppm2      5.021
 ASSI { 2024}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "4   " and name "HE1 ")
      6.000     6.000     0.000 peak  2024 weight  0.10000E+01 volume  0.25900E+00 ppm1      2.817 ppm2      7.232
 OR { 2024}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "4   " and name "HE2 ")
 OR { 2024}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "4   " and name "HZ  ")
 ASSI { 4259}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "68  " and name "HB2 ")
      2.700     2.700     0.000 peak  4259 weight  0.10000E+01 volume  0.34830E+01 ppm1      1.793 ppm2      3.058
 OR { 4259}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "68  " and name "HB1 ")
 ASSI { 2006}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "3   " and name "HA  ")
      6.000     6.000     0.000 peak  2006 weight  0.10000E+01 volume  0.10200E+00 ppm1      3.089 ppm2      4.439
 ASSI { 2009}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "4   " and name "HD2 ")
      3.300     3.300     0.000 peak  2009 weight  0.10000E+01 volume  0.15050E+01 ppm1      3.093 ppm2      7.102
 OR { 2009}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "4   " and name "HD1 ")
 ASSI { 2011}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "4   " and name "HN  ")
      5.000     5.000     0.000 peak  2011 weight  0.10000E+01 volume  0.13160E+01 ppm1      3.091 ppm2      8.401
 ASSI { 2012}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "5   " and name "HN  ")
      5.000     5.000     0.000 peak  2012 weight  0.10000E+01 volume  0.34100E+00 ppm1      3.093 ppm2      9.226
 ASSI { 2013}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "67  " and name "HN  ")
      5.000     5.000     0.000 peak  2013 weight  0.10000E+01 volume  0.30000E+00 ppm1      3.091 ppm2      9.337
 ASSI { 2014}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HG21")
      6.000     6.000     0.000 peak  2014 weight  0.10000E+01 volume  0.11800E+00 ppm1      2.810 ppm2      0.690
 OR { 2014}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 2014}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HG23")
 OR { 2014}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HG22")
 OR { 2014}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 2014}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 2014}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HG12")
 OR { 2014}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HG11")
 OR { 2014}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HG13")
 ASSI { 2020}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "66  " and name "HA  ")
      5.000     5.000     0.000 peak  2020 weight  0.10000E+01 volume  0.98800E+00 ppm1      2.814 ppm2      5.238
 OR { 2020}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "14  " and name "HA  ")
 ASSI { 2025}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "4   " and name "HN  ")
      5.000     5.000     0.000 peak  2025 weight  0.10000E+01 volume  0.83600E+00 ppm1      2.812 ppm2      8.402
 ASSI { 2026}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HN  ")
      5.000     5.000     0.000 peak  2026 weight  0.10000E+01 volume  0.58700E+00 ppm1      2.813 ppm2      9.220
 ASSI { 2027}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "67  " and name "HN  ")
      6.000     6.000     0.000 peak  2027 weight  0.10000E+01 volume  0.17100E+00 ppm1      2.815 ppm2      9.346
 ASSI { 2010}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "4   " and name "HE1 ")
      5.000     5.000     0.000 peak  2010 weight  0.10000E+01 volume  0.35500E+00 ppm1      3.093 ppm2      7.228
 OR { 2010}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "4   " and name "HE2 ")
 OR { 2010}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "4   " and name "HZ  ")
 ASSI { 2002}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "66  " and name "HG22")
      5.000     5.000     0.000 peak  2002 weight  0.10000E+01 volume  0.73800E+00 ppm1      3.094 ppm2      0.904
 OR { 2002}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "66  " and name "HG21")
 OR { 2002}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "66  " and name "HG23")
 ASSI { 2007}
     (segid "    " and resid "4   " and name "HB2 ")
     (segid "    " and resid "66  " and name "HA  ")
      3.300     3.300     0.000 peak  2007 weight  0.10000E+01 volume  0.18190E+01 ppm1      3.094 ppm2      5.243
 ASSI { 3232}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG22")
      6.000     6.000     0.000 peak  3232 weight  0.10000E+01 volume  0.20600E+00 ppm1      2.360 ppm2      1.014
 OR { 3232}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 3232}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 3232}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HB1 ")
 ASSI { 3241}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HA  ")
      5.000     5.000     0.000 peak  3241 weight  0.10000E+01 volume  0.94400E+00 ppm1      1.264 ppm2      3.388
 ASSI { 3233}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HD1 ")
      6.000     6.000     0.000 peak  3233 weight  0.10000E+01 volume  0.23300E+00 ppm1      2.366 ppm2      1.680
 OR { 3233}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HG  ")
 OR { 3233}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HG  ")
 OR { 3233}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HD2 ")
 OR { 3233}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 3233}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HB2 ")
 ASSI { 3243}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD22")
      5.000     5.000     0.000 peak  3243 weight  0.10000E+01 volume  0.10530E+01 ppm1      1.265 ppm2      0.549
 OR { 3243}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 3243}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 3243}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 3243}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HD13")
 OR { 3243}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HD11")
 ASSI { 3237}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HN  ")
      3.300     3.300     0.000 peak  3237 weight  0.10000E+01 volume  0.21310E+01 ppm1      1.261 ppm2      7.737
 ASSI { 3245}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG21")
      6.000     6.000     0.000 peak  3245 weight  0.10000E+01 volume  0.17100E+00 ppm1      1.264 ppm2      1.017
 OR { 3245}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 3245}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 3245}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HB1 ")
 OR { 3245}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HG  ")
 ASSI { 3230}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HN  ")
      5.000     5.000     0.000 peak  3230 weight  0.10000E+01 volume  0.11250E+01 ppm1      2.368 ppm2      8.549
 ASSI { 3222}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HN  ")
      2.700     2.700     0.000 peak  3222 weight  0.10000E+01 volume  0.30150E+01 ppm1      2.370 ppm2      7.738
 ASSI { 3228}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HA  ")
      3.300     3.300     0.000 peak  3228 weight  0.10000E+01 volume  0.17900E+01 ppm1      2.368 ppm2      3.386
 ASSI { 3242}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HN  ")
      5.000     5.000     0.000 peak  3242 weight  0.10000E+01 volume  0.57500E+00 ppm1      1.260 ppm2      8.551
 ASSI { 3234}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HB2 ")
      6.000     6.000     0.000 peak  3234 weight  0.10000E+01 volume  0.70000E-01 ppm1      2.373 ppm2      1.988
 OR { 3234}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "24  " and name "HB2 ")
 OR { 3234}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "24  " and name "HB1 ")
 ASSI { 3231}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD22")
      5.000     5.000     0.000 peak  3231 weight  0.10000E+01 volume  0.80300E+00 ppm1      2.375 ppm2      0.549
 OR { 3231}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 3231}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 3231}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 3231}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD11")
 OR { 3231}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD13")
 ASSI { 3244}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HG  ")
      6.000     6.000     0.000 peak  3244 weight  0.10000E+01 volume  0.10700E+00 ppm1      1.269 ppm2      1.723
 OR { 3244}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HG  ")
 OR { 3244}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HG1 ")
 OR { 3244}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HD1 ")
 OR { 3244}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HD2 ")
 ASSI { 5293}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "6   " and name "HN  ")
      6.000     6.000     0.000 peak  5293 weight  0.10000E+01 volume  0.20400E+00 ppm1      1.730 ppm2      8.972
 ASSI { 5292}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "66  " and name "HA  ")
      5.000     5.000     0.000 peak  5292 weight  0.10000E+01 volume  0.39400E+00 ppm1      1.730 ppm2      5.251
 OR { 5292}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "43  " and name "HA  ")
 ASSI { 4500}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HN  ")
      3.300     3.300     0.000 peak  4500 weight  0.10000E+01 volume  0.18020E+01 ppm1      1.460 ppm2      8.608
 ASSI { 5295}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "3   " and name "HB1 ")
      6.000     6.000     0.000 peak  5295 weight  0.10000E+01 volume  0.21900E+00 ppm1      1.730 ppm2      1.100
 OR { 5295}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 5295}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "12  " and name "HG23")
 OR { 5295}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 5295}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 5295}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "61  " and name "HG  ")
 OR { 5295}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "50  " and name "HB1 ")
 ASSI { 4524}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HB  ")
      6.000     6.000     0.000 peak  4524 weight  0.10000E+01 volume  0.11300E+00 ppm1      1.114 ppm2      2.227
 OR { 4524}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "49  " and name "HG2 ")
 ASSI { 4514}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG12")
      5.000     5.000     0.000 peak  4514 weight  0.10000E+01 volume  0.14260E+01 ppm1      1.111 ppm2      0.727
 OR { 4514}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 4514}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG11")
 ASSI { 4504}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG13")
      5.000     5.000     0.000 peak  4504 weight  0.10000E+01 volume  0.12870E+01 ppm1      1.456 ppm2      0.727
 OR { 4504}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 4504}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HG11")
 ASSI { 5283}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "67  " and name "HG22")
      2.700     2.700     0.000 peak  5283 weight  0.10000E+01 volume  0.37140E+01 ppm1      1.733 ppm2      0.857
 OR { 5283}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 5283}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 5283}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "67  " and name "HG12")
 ASSI { 4516}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HB2 ")
      5.000     5.000     0.000 peak  4516 weight  0.10000E+01 volume  0.66300E+00 ppm1      1.111 ppm2      1.706
 ASSI { 4515}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HN  ")
      5.000     5.000     0.000 peak  4515 weight  0.10000E+01 volume  0.88700E+00 ppm1      1.111 ppm2      8.608
 ASSI { 5285}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "67  " and name "HN  ")
      3.300     3.300     0.000 peak  5285 weight  0.10000E+01 volume  0.22550E+01 ppm1      1.733 ppm2      9.335
 OR { 5285}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "68  " and name "HN  ")
 ASSI { 5290}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "5   " and name "HA  ")
      5.000     5.000     0.000 peak  5290 weight  0.10000E+01 volume  0.12070E+01 ppm1      1.734 ppm2      4.998
 ASSI { 4509}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HN  ")
      6.000     6.000     0.000 peak  4509 weight  0.10000E+01 volume  0.15500E+00 ppm1      1.443 ppm2      8.977
 ASSI { 3656}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HB1 ")
      5.000     5.000     0.000 peak  3656 weight  0.10000E+01 volume  0.54100E+00 ppm1      2.872 ppm2      1.630
 OR { 3656}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HG1 ")
 OR { 3656}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HG2 ")
 OR { 3656}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HG2 ")
 OR { 3656}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HD2 ")
 OR { 3656}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HB2 ")
 OR { 3656}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HB3 ")
 ASSI { 3654}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HN  ")
      5.000     5.000     0.000 peak  3654 weight  0.10000E+01 volume  0.10360E+01 ppm1      2.870 ppm2      7.355
 ASSI { 5282}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "67  " and name "HD11")
      2.700     2.700     0.000 peak  5282 weight  0.10000E+01 volume  0.55970E+01 ppm1      1.735 ppm2      0.677
 OR { 5282}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 5282}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 5282}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "5   " and name "HG22")
 OR { 5282}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "5   " and name "HG23")
 OR { 5282}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "5   " and name "HG13")
 OR { 5282}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "5   " and name "HG21")
 ASSI { 4517}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "51  " and name "HN  ")
      5.000     5.000     0.000 peak  4517 weight  0.10000E+01 volume  0.43700E+00 ppm1      1.113 ppm2      8.208
 ASSI { 4507}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD11")
      5.000     5.000     0.000 peak  4507 weight  0.10000E+01 volume  0.70900E+00 ppm1      1.456 ppm2      0.818
 OR { 4507}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 4507}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 4507}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 4507}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 4507}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD22")
 ASSI { 4523}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "49  " and name "HA  ")
      6.000     6.000     0.000 peak  4523 weight  0.10000E+01 volume  0.93000E-01 ppm1      1.104 ppm2      4.803
 OR { 4523}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HA  ")
 ASSI { 4522}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HD1 ")
      6.000     6.000     0.000 peak  4522 weight  0.10000E+01 volume  0.74000E-01 ppm1      1.103 ppm2      7.211
 OR { 4522}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 4522}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HE  ")
 ASSI { 4506}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "51  " and name "HN  ")
      6.000     6.000     0.000 peak  4506 weight  0.10000E+01 volume  0.28100E+00 ppm1      1.458 ppm2      8.207
 OR { 4506}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "52  " and name "HN  ")
 ASSI { 4508}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HA  ")
      6.000     6.000     0.000 peak  4508 weight  0.10000E+01 volume  0.20900E+00 ppm1      1.452 ppm2      4.812
 ASSI { 3651}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "32  " and name "HA  ")
      2.700     2.700     0.000 peak  3651 weight  0.10000E+01 volume  0.31190E+01 ppm1      2.873 ppm2      4.329
 ASSI { 3658}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HD1 ")
      6.000     6.000     0.000 peak  3658 weight  0.10000E+01 volume  0.27300E+00 ppm1      2.870 ppm2      1.831
 OR { 3658}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HB1 ")
 OR { 3658}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HB2 ")
 ASSI { 3652}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "32  " and name "HN  ")
      3.300     3.300     0.000 peak  3652 weight  0.10000E+01 volume  0.25720E+01 ppm1      2.870 ppm2      8.093
 ASSI { 3663}
     (segid "    " and resid "32  " and name "HB2 ")
     (segid "    " and resid "33  " and name "HD2 ")
      5.000     5.000     0.000 peak  3663 weight  0.10000E+01 volume  0.58200E+00 ppm1      2.749 ppm2      1.626
 OR { 3663}
     (segid "    " and resid "32  " and name "HB2 ")
     (segid "    " and resid "33  " and name "HG2 ")
 OR { 3663}
     (segid "    " and resid "32  " and name "HB2 ")
     (segid "    " and resid "33  " and name "HG1 ")
 OR { 3663}
     (segid "    " and resid "32  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HD2 ")
 OR { 3663}
     (segid "    " and resid "32  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HG2 ")
 ASSI { 3666}
     (segid "    " and resid "32  " and name "HB2 ")
     (segid "    " and resid "31  " and name "HN  ")
      6.000     6.000     0.000 peak  3666 weight  0.10000E+01 volume  0.10100E+00 ppm1      2.748 ppm2      8.638
 OR { 3666}
     (segid "    " and resid "32  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HN  ")
 ASSI { 3661}
     (segid "    " and resid "32  " and name "HB2 ")
     (segid "    " and resid "33  " and name "HN  ")
      5.000     5.000     0.000 peak  3661 weight  0.10000E+01 volume  0.11620E+01 ppm1      2.750 ppm2      7.353
 ASSI { 3657}
     (segid "    " and resid "32  " and name "HB2 ")
     (segid "    " and resid "32  " and name "HN  ")
      3.300     3.300     0.000 peak  3657 weight  0.10000E+01 volume  0.23860E+01 ppm1      2.749 ppm2      8.094
 ASSI { 3665}
     (segid "    " and resid "32  " and name "HB2 ")
     (segid "    " and resid "33  " and name "HB2 ")
      6.000     6.000     0.000 peak  3665 weight  0.10000E+01 volume  0.28900E+00 ppm1      2.750 ppm2      1.833
 OR { 3665}
     (segid "    " and resid "32  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HB1 ")
 OR { 3665}
     (segid "    " and resid "32  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HD1 ")
 ASSI { 3660}
     (segid "    " and resid "32  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HA  ")
      5.000     5.000     0.000 peak  3660 weight  0.10000E+01 volume  0.11880E+01 ppm1      2.748 ppm2      4.222
 ASSI { 3655}
     (segid "    " and resid "32  " and name "HB2 ")
     (segid "    " and resid "32  " and name "HA  ")
      2.700     2.700     0.000 peak  3655 weight  0.10000E+01 volume  0.30390E+01 ppm1      2.750 ppm2      4.328
 ASSI { 3659}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HN  ")
      6.000     6.000     0.000 peak  3659 weight  0.10000E+01 volume  0.89000E-01 ppm1      2.867 ppm2      8.661
 OR { 3659}
     (segid "    " and resid "32  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HN  ")
 ASSI { 2294}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "9   " and name "HN  ")
      6.000     6.000     0.000 peak  2294 weight  0.10000E+01 volume  0.91000E-01 ppm1      1.934 ppm2      7.653
 ASSI { 2295}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "7   " and name "HB  ")
      6.000     6.000     0.000 peak  2295 weight  0.10000E+01 volume  0.10600E+00 ppm1      1.928 ppm2      4.777
 ASSI { 2298}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD23")
      3.300     3.300     0.000 peak  2298 weight  0.10000E+01 volume  0.20760E+01 ppm1      1.742 ppm2      1.012
 OR { 2298}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD21")
 OR { 2298}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD12")
 OR { 2298}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD13")
 OR { 2298}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD11")
 OR { 2298}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "8   " and name "HD22")
 ASSI { 2302}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "70  " and name "HA  ")
      6.000     6.000     0.000 peak  2302 weight  0.10000E+01 volume  0.23900E+00 ppm1      1.740 ppm2      4.402
 OR { 2302}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "9   " and name "HA  ")
 ASSI { 2290}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "8   " and name "HN  ")
      5.000     5.000     0.000 peak  2290 weight  0.10000E+01 volume  0.11240E+01 ppm1      1.928 ppm2      9.073
 ASSI { 2289}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD11")
      3.300     3.300     0.000 peak  2289 weight  0.10000E+01 volume  0.22460E+01 ppm1      1.930 ppm2      1.019
 OR { 2289}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD12")
 OR { 2289}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD13")
 OR { 2289}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD22")
 OR { 2289}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD21")
 OR { 2289}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "8   " and name "HD23")
 ASSI { 2293}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "70  " and name "HA  ")
      6.000     6.000     0.000 peak  2293 weight  0.10000E+01 volume  0.23200E+00 ppm1      1.926 ppm2      4.406
 OR { 2293}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "9   " and name "HA  ")
 ASSI { 2299}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "8   " and name "HN  ")
      5.000     5.000     0.000 peak  2299 weight  0.10000E+01 volume  0.69100E+00 ppm1      1.742 ppm2      9.073
 ASSI { 2433}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "7   " and name "HG23")
      6.000     6.000     0.000 peak  2433 weight  0.10000E+01 volume  0.19200E+00 ppm1      2.926 ppm2      1.118
 OR { 2433}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "7   " and name "HG21")
 OR { 2433}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "7   " and name "HG22")
 OR { 2433}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "7   " and name "HG23")
 OR { 2433}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "7   " and name "HG22")
 OR { 2433}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "7   " and name "HG21")
 OR { 2433}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "7   " and name "HG23")
 OR { 2433}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "7   " and name "HG21")
 OR { 2433}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 2433}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "7   " and name "HG22")
 OR { 2433}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 2433}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "7   " and name "HG23")
 OR { 2433}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 2433}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "7   " and name "HG22")
 OR { 2433}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "7   " and name "HG21")
 OR { 2433}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "69  " and name "HB2 ")
 ASSI { 2417}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "11  " and name "HG1 ")
      5.000     5.000     0.000 peak  2417 weight  0.10000E+01 volume  0.13010E+01 ppm1      2.910 ppm2      1.406
 OR { 2417}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "11  " and name "HG1 ")
 OR { 2417}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "6   " and name "HB1 ")
 OR { 2417}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "6   " and name "HB1 ")
 OR { 2417}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "6   " and name "HG1 ")
 OR { 2417}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "6   " and name "HG1 ")
 OR { 2417}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "11  " and name "HG1 ")
 OR { 2417}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "6   " and name "HB1 ")
 OR { 2417}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "11  " and name "HG1 ")
 OR { 2417}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "6   " and name "HB1 ")
 OR { 2417}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "6   " and name "HG1 ")
 OR { 2417}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "6   " and name "HG1 ")
 ASSI { 2423}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "13  " and name "HD23")
      5.000     5.000     0.000 peak  2423 weight  0.10000E+01 volume  0.67700E+00 ppm1      2.925 ppm2      0.803
 OR { 2423}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "69  " and name "HD21")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "69  " and name "HD22")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "69  " and name "HD23")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "69  " and name "HD21")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "69  " and name "HD22")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "69  " and name "HD23")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "70  " and name "HG21")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "69  " and name "HD22")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "69  " and name "HD22")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "70  " and name "HG23")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "70  " and name "HG23")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "69  " and name "HD21")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "70  " and name "HG21")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "69  " and name "HD23")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "69  " and name "HD23")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "69  " and name "HD21")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "70  " and name "HG23")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 2423}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "70  " and name "HG23")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "70  " and name "HG21")
 OR { 2423}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "70  " and name "HG21")
 ASSI { 2427}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "12  " and name "HG23")
      5.000     5.000     0.000 peak  2427 weight  0.10000E+01 volume  0.42500E+00 ppm1      2.888 ppm2      1.058
 OR { 2427}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 2427}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 2427}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 2427}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 2427}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "12  " and name "HG23")
 OR { 2427}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "8   " and name "HD11")
 OR { 2427}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "8   " and name "HD13")
 OR { 2427}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "8   " and name "HD12")
 OR { 2427}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "8   " and name "HD11")
 OR { 2427}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 2427}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 2427}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "12  " and name "HG23")
 OR { 2427}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 2427}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 2427}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "8   " and name "HD13")
 OR { 2427}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 2427}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "12  " and name "HG23")
 OR { 2427}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 2427}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 2427}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 2427}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "8   " and name "HD12")
 OR { 2427}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "8   " and name "HD11")
 OR { 2427}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "8   " and name "HD13")
 OR { 2427}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "8   " and name "HD12")
 OR { 2427}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "8   " and name "HD11")
 OR { 2427}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "8   " and name "HD13")
 OR { 2427}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "8   " and name "HD12")
 ASSI { 2247}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "10  " and name "HA2 ")
      5.000     5.000     0.000 peak  2247 weight  0.10000E+01 volume  0.54600E+00 ppm1      2.884 ppm2      3.613
 OR { 2247}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "10  " and name "HA2 ")
 ASSI { 2004}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "10  " and name "HA1 ")
      6.000     6.000     0.000 peak  2004 weight  0.10000E+01 volume  0.20800E+00 ppm1      2.914 ppm2      4.336
 OR { 2004}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "11  " and name "HA  ")
 OR { 2004}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "11  " and name "HA  ")
 OR { 2004}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "8   " and name "HA  ")
 OR { 2004}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "10  " and name "HA1 ")
 OR { 2004}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "8   " and name "HA  ")
 OR { 2004}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "11  " and name "HA  ")
 OR { 2004}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "11  " and name "HA  ")
 OR { 2004}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "10  " and name "HA1 ")
 OR { 2004}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "10  " and name "HA1 ")
 OR { 2004}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "8   " and name "HA  ")
 OR { 2004}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "8   " and name "HA  ")
 ASSI { 2304}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "9   " and name "HG21")
      6.000     6.000     0.000 peak  2304 weight  0.10000E+01 volume  0.28100E+00 ppm1      1.739 ppm2      1.259
 OR { 2304}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "9   " and name "HG23")
 OR { 2304}
     (segid "    " and resid "8   " and name "HB2 ")
     (segid "    " and resid "9   " and name "HG22")
 ASSI { 5145}
     (segid "    " and resid "63  " and name "HE1 ")
     (segid "    " and resid "63  " and name "HG2 ")
      3.300     3.300     0.000 peak  5145 weight  0.10000E+01 volume  0.23100E+01 ppm1      3.018 ppm2      1.488
 OR { 5145}
     (segid "    " and resid "63  " and name "HE2 ")
     (segid "    " and resid "63  " and name "HG2 ")
 OR { 5145}
     (segid "    " and resid "63  " and name "HE2 ")
     (segid "    " and resid "63  " and name "HG1 ")
 OR { 5145}
     (segid "    " and resid "63  " and name "HE1 ")
     (segid "    " and resid "63  " and name "HG1 ")
 ASSI { 3004}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HN  ")
      6.000     6.000     0.000 peak  3004 weight  0.10000E+01 volume  0.72000E-01 ppm1      3.084 ppm2      8.683
 OR { 3004}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "57  " and name "HN  ")
 ASSI { 3013}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HN  ")
      3.300     3.300     0.000 peak  3013 weight  0.10000E+01 volume  0.15700E+01 ppm1      2.724 ppm2      8.238
 ASSI { 2999}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "18  " and name "HB1 ")
      6.000     6.000     0.000 peak  2999 weight  0.10000E+01 volume  0.14700E+00 ppm1      3.083 ppm2      2.198
 OR { 2999}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 2999}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 2999}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 2999}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HG1 ")
 OR { 2999}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "2   " and name "HG1 ")
 OR { 2999}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "2   " and name "HG1 ")
 OR { 2999}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "23  " and name "HB  ")
 OR { 2999}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 2999}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "18  " and name "HB1 ")
 OR { 2999}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 2999}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 2999}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "2   " and name "HG1 ")
 OR { 2999}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "23  " and name "HB  ")
 OR { 2999}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 2999}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 2999}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "19  " and name "HG1 ")
 OR { 2999}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "18  " and name "HB1 ")
 OR { 2999}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "23  " and name "HB  ")
 OR { 2999}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 2999}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "19  " and name "HG1 ")
 ASSI { 2990}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HN  ")
      5.000     5.000     0.000 peak  2990 weight  0.10000E+01 volume  0.71100E+00 ppm1      3.081 ppm2      8.243
 ASSI { 3017}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "18  " and name "HN  ")
      5.000     5.000     0.000 peak  3017 weight  0.10000E+01 volume  0.40300E+00 ppm1      2.728 ppm2      9.364
 ASSI { 2976}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HB2 ")
      5.000     5.000     0.000 peak  2976 weight  0.10000E+01 volume  0.41800E+00 ppm1      2.723 ppm2      1.253
 OR { 2976}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HG23")
 OR { 2976}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 2976}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HB2 ")
 OR { 2976}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 2976}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HB1 ")
 ASSI { 3692}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "46  " and name "HB1 ")
      5.000     5.000     0.000 peak  3692 weight  0.10000E+01 volume  0.47900E+00 ppm1      3.177 ppm2      0.811
 OR { 3692}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 3692}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "46  " and name "HB2 ")
 OR { 3692}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 3692}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 3692}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 3692}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 3692}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 3692}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "46  " and name "HB1 ")
 OR { 3692}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "46  " and name "HB3 ")
 OR { 3692}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "46  " and name "HB3 ")
 OR { 3692}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "46  " and name "HB2 ")
 OR { 3692}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 3692}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 3692}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 3692}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 3692}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 3692}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 3692}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 3692}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 3692}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 3692}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 3692}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 3692}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "46  " and name "HB1 ")
 OR { 3692}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 3692}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "46  " and name "HB3 ")
 OR { 3692}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "46  " and name "HB2 ")
 ASSI { 1944}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HG13")
      5.000     5.000     0.000 peak  1944 weight  0.10000E+01 volume  0.41800E+00 ppm1      3.174 ppm2      0.715
 OR { 1944}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HG11")
 OR { 1944}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 1944}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "30  " and name "HG12")
 OR { 1944}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 1944}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 1944}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 1944}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 1944}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "30  " and name "HG12")
 OR { 1944}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "30  " and name "HG12")
 OR { 1944}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "15  " and name "HG11")
 OR { 1944}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 1944}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HG11")
 OR { 1944}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HG13")
 OR { 1944}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "15  " and name "HG13")
 OR { 1944}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 1944}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 1944}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "44  " and name "HG22")
 ASSI { 2994}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "15  " and name "HA  ")
      6.000     6.000     0.000 peak  2994 weight  0.10000E+01 volume  0.19800E+00 ppm1      3.078 ppm2      4.568
 OR { 2994}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "25  " and name "HA  ")
 OR { 2994}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HA  ")
 OR { 2994}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "55  " and name "HB  ")
 OR { 2994}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 2994}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "25  " and name "HA  ")
 OR { 2994}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "25  " and name "HA  ")
 OR { 2994}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 2994}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HA  ")
 OR { 2994}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "55  " and name "HB  ")
 OR { 2994}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "22  " and name "HB  ")
 OR { 2994}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "55  " and name "HB  ")
 ASSI { 3012}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "21  " and name "HN  ")
      5.000     5.000     0.000 peak  3012 weight  0.10000E+01 volume  0.12440E+01 ppm1      2.725 ppm2      7.840
 ASSI { 2989}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "17  " and name "HB2 ")
      5.000     5.000     0.000 peak  2989 weight  0.10000E+01 volume  0.56100E+00 ppm1      3.083 ppm2      1.276
 OR { 2989}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HB2 ")
 OR { 2989}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HB1 ")
 OR { 2989}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HB2 ")
 OR { 2989}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HG23")
 OR { 2989}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "26  " and name "HB2 ")
 OR { 2989}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 2989}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 2989}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 2989}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "22  " and name "HG23")
 OR { 2989}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 2989}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "56  " and name "HB1 ")
 ASSI { 3690}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "59  " and name "HE2 ")
      6.000     6.000     0.000 peak  3690 weight  0.10000E+01 volume  0.21300E+00 ppm1      3.150 ppm2      6.837
 OR { 3690}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "60  " and name "HD22")
 OR { 3690}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 3690}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 3690}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 3690}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "60  " and name "HD22")
 ASSI { 3707}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HN  ")
      6.000     6.000     0.000 peak  3707 weight  0.10000E+01 volume  0.11800E+00 ppm1      3.149 ppm2      8.098
 OR { 3707}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HN  ")
 OR { 3707}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "16  " and name "HN  ")
 OR { 3707}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "32  " and name "HN  ")
 OR { 3707}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "47  " and name "HN  ")
 OR { 3707}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "47  " and name "HN  ")
 OR { 3707}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "16  " and name "HN  ")
 OR { 3707}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "16  " and name "HN  ")
 OR { 3707}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "47  " and name "HN  ")
 OR { 3707}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HN  ")
 OR { 3707}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "32  " and name "HN  ")
 OR { 3707}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "32  " and name "HN  ")
 ASSI { 2985}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "25  " and name "HD21")
      6.000     6.000     0.000 peak  2985 weight  0.10000E+01 volume  0.83000E-01 ppm1      2.719 ppm2      8.075
 OR { 2985}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 2985}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "25  " and name "HD21")
 OR { 2985}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HN  ")
 ASSI { 2987}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "18  " and name "HN  ")
      5.000     5.000     0.000 peak  2987 weight  0.10000E+01 volume  0.90100E+00 ppm1      3.082 ppm2      9.364
 ASSI { 2997}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD21")
      6.000     6.000     0.000 peak  2997 weight  0.10000E+01 volume  0.22800E+00 ppm1      3.079 ppm2      0.567
 OR { 2997}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 2997}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 2997}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 2997}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HG23")
 OR { 2997}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HD11")
 OR { 2997}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 2997}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "15  " and name "HG21")
 OR { 2997}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HD13")
 OR { 2997}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 2997}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HG21")
 OR { 2997}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "15  " and name "HG23")
 OR { 2997}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 2997}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 2997}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 2997}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 2997}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "3   " and name "HD13")
 OR { 2997}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "3   " and name "HD11")
 OR { 2997}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 2997}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 2997}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG21")
 OR { 2997}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG23")
 OR { 2997}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 2997}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 2997}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 2997}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "3   " and name "HD11")
 OR { 2997}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "3   " and name "HD13")
 OR { 2997}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 2997}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 2997}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 2997}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 2997}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 2997}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 2997}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 2997}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 2997}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "61  " and name "HD13")
 ASSI { 3000}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "16  " and name "HN  ")
      6.000     6.000     0.000 peak  3000 weight  0.10000E+01 volume  0.11000E+00 ppm1      3.085 ppm2      8.099
 OR { 3000}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "25  " and name "HD21")
 OR { 3000}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "16  " and name "HN  ")
 OR { 3000}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 3000}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "32  " and name "HN  ")
 OR { 3000}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "25  " and name "HD21")
 OR { 3000}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "28  " and name "HN  ")
 OR { 3000}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 3000}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "32  " and name "HN  ")
 OR { 3000}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "28  " and name "HN  ")
 OR { 3000}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "28  " and name "HN  ")
 OR { 3000}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "16  " and name "HN  ")
 OR { 3000}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "25  " and name "HD21")
 OR { 3000}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 3000}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "32  " and name "HN  ")
 ASSI { 2995}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "17  " and name "HA  ")
      6.000     6.000     0.000 peak  2995 weight  0.10000E+01 volume  0.27300E+00 ppm1      3.091 ppm2      4.731
 OR { 2995}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HA  ")
 ASSI { 3698}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "59  " and name "HD1 ")
      6.000     6.000     0.000 peak  3698 weight  0.10000E+01 volume  0.14900E+00 ppm1      3.160 ppm2      7.228
 OR { 3698}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "59  " and name "HD2 ")
 OR { 3698}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 3698}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "59  " and name "HD2 ")
 ASSI { 3490}
     (segid "    " and resid "29  " and name "HE2 ")
     (segid "    " and resid "17  " and name "HA  ")
      6.000     6.000     0.000 peak  3490 weight  0.10000E+01 volume  0.12800E+00 ppm1      3.001 ppm2      4.730
 ASSI { 2983}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD23")
      3.300     3.300     0.000 peak  2983 weight  0.10000E+01 volume  0.19960E+01 ppm1      3.083 ppm2      0.715
 OR { 2983}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 2983}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "15  " and name "HG13")
 OR { 2983}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 2983}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 2983}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD21")
 OR { 2983}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 2983}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "15  " and name "HG11")
 OR { 2983}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 2983}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 2983}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "17  " and name "HD23")
 OR { 2983}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HG11")
 OR { 2983}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "17  " and name "HD21")
 OR { 2983}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HG13")
 OR { 2983}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 2983}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "17  " and name "HD21")
 OR { 2983}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "17  " and name "HD23")
 OR { 2983}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 2983}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 2983}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 2983}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 2983}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG11")
 OR { 2983}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG13")
 OR { 2983}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 2983}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 2983}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 2983}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "56  " and name "HD12")
 ASSI { 3487}
     (segid "    " and resid "29  " and name "HE2 ")
     (segid "    " and resid "15  " and name "HG11")
      5.000     5.000     0.000 peak  3487 weight  0.10000E+01 volume  0.52100E+00 ppm1      3.008 ppm2      0.730
 OR { 3487}
     (segid "    " and resid "29  " and name "HE2 ")
     (segid "    " and resid "17  " and name "HD23")
 OR { 3487}
     (segid "    " and resid "29  " and name "HE2 ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 3487}
     (segid "    " and resid "29  " and name "HE2 ")
     (segid "    " and resid "15  " and name "HG13")
 OR { 3487}
     (segid "    " and resid "29  " and name "HE2 ")
     (segid "    " and resid "17  " and name "HD21")
 OR { 3487}
     (segid "    " and resid "29  " and name "HE2 ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 3487}
     (segid "    " and resid "29  " and name "HE2 ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 3487}
     (segid "    " and resid "29  " and name "HE2 ")
     (segid "    " and resid "26  " and name "HD13")
 ASSI { 3479}
     (segid "    " and resid "29  " and name "HE2 ")
     (segid "    " and resid "17  " and name "HD13")
      5.000     5.000     0.000 peak  3479 weight  0.10000E+01 volume  0.76000E+00 ppm1      3.011 ppm2      0.845
 OR { 3479}
     (segid "    " and resid "29  " and name "HE2 ")
     (segid "    " and resid "17  " and name "HD12")
 OR { 3479}
     (segid "    " and resid "29  " and name "HE2 ")
     (segid "    " and resid "17  " and name "HD11")
 ASSI { 4993}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HB2 ")
      6.000     6.000     0.000 peak  4993 weight  0.10000E+01 volume  0.19600E+00 ppm1      1.317 ppm2      1.992
 ASSI { 3334}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "38  " and name "HA  ")
      6.000     6.000     0.000 peak  3334 weight  0.10000E+01 volume  0.12900E+00 ppm1      2.747 ppm2      4.086
 OR { 3334}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HA  ")
 OR { 3334}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HA  ")
 OR { 3334}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "19  " and name "HA  ")
 ASSI { 3331}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "41  " and name "HB2 ")
      3.300     3.300     0.000 peak  3331 weight  0.10000E+01 volume  0.15850E+01 ppm1      2.737 ppm2      1.889
 OR { 3331}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "41  " and name "HB1 ")
 OR { 3331}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HB1 ")
 OR { 3331}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "17  " and name "HB1 ")
 OR { 3331}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HB2 ")
 OR { 3331}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "41  " and name "HB1 ")
 ASSI { 3335}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "42  " and name "HA  ")
      6.000     6.000     0.000 peak  3335 weight  0.10000E+01 volume  0.78000E-01 ppm1      2.744 ppm2      4.461
 OR { 3335}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "39  " and name "HA  ")
 OR { 3335}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "20  " and name "HA  ")
 OR { 3335}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "42  " and name "HA  ")
 OR { 3335}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "20  " and name "HA  ")
 OR { 3335}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "39  " and name "HA  ")
 ASSI { 3346}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "38  " and name "HB1 ")
      6.000     6.000     0.000 peak  3346 weight  0.10000E+01 volume  0.13800E+00 ppm1      2.591 ppm2      2.253
 OR { 3346}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 3346}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "30  " and name "HB  ")
 ASSI { 2593}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "60  " and name "HN  ")
      6.000     6.000     0.000 peak  2593 weight  0.10000E+01 volume  0.59000E-01 ppm1      1.326 ppm2      8.154
 ASSI { 3330}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "43  " and name "HD12")
      3.300     3.300     0.000 peak  3330 weight  0.10000E+01 volume  0.17470E+01 ppm1      2.740 ppm2      0.829
 OR { 3330}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD12")
 OR { 3330}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 3330}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD13")
 OR { 3330}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 3330}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD11")
 OR { 3330}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 3330}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 3330}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 3330}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 3330}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 3330}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 3330}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "17  " and name "HD12")
 OR { 3330}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "17  " and name "HD13")
 OR { 3330}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "17  " and name "HD11")
 OR { 3330}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 3330}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 3330}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HD21")
 ASSI { 3341}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "43  " and name "HD13")
      5.000     5.000     0.000 peak  3341 weight  0.10000E+01 volume  0.14640E+01 ppm1      2.597 ppm2      0.808
 OR { 3341}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 3341}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 3341}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 3341}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 3341}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 3341}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "30  " and name "HD13")
 ASSI { 8844}
     (segid "    " and resid "73  " and name "HB1 ")
     (segid "    " and resid "72  " and name "HA  ")
      6.000     6.000     0.000 peak  8844 weight  0.10000E+01 volume  0.16300E+00 ppm1      1.631 ppm2      4.219
 ASSI { 8853}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "72  " and name "HA  ")
      6.000     6.000     0.000 peak  8853 weight  0.10000E+01 volume  0.11500E+00 ppm1      1.555 ppm2      4.228
 ASSI { 8856}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HN  ")
      5.000     5.000     0.000 peak  8856 weight  0.10000E+01 volume  0.96000E+00 ppm1      1.556 ppm2      8.355
 ASSI { 8847}
     (segid "    " and resid "73  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HN  ")
      5.000     5.000     0.000 peak  8847 weight  0.10000E+01 volume  0.11840E+01 ppm1      1.636 ppm2      8.358
 ASSI { 8848}
     (segid "    " and resid "73  " and name "HB1 ")
     (segid "    " and resid "74  " and name "HN  ")
      5.000     5.000     0.000 peak  8848 weight  0.10000E+01 volume  0.50600E+00 ppm1      1.632 ppm2      8.434
 ASSI { 8857}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "74  " and name "HN  ")
      5.000     5.000     0.000 peak  8857 weight  0.10000E+01 volume  0.34700E+00 ppm1      1.558 ppm2      8.437
 ASSI { 3329}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "23  " and name "HG12")
      3.300     3.300     0.000 peak  3329 weight  0.10000E+01 volume  0.21510E+01 ppm1      2.741 ppm2      0.723
 OR { 3329}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD21")
 OR { 3329}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD23")
 OR { 3329}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 3329}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 3329}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 3329}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 3329}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 3329}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 3329}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 3329}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 3329}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "17  " and name "HD21")
 OR { 3329}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 3329}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 3329}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "17  " and name "HD23")
 OR { 3329}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "56  " and name "HD11")
 ASSI { 3328}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "43  " and name "HG  ")
      3.300     3.300     0.000 peak  3328 weight  0.10000E+01 volume  0.24770E+01 ppm1      2.744 ppm2      1.475
 OR { 3328}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "27  " and name "HG1 ")
 OR { 3328}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "27  " and name "HG2 ")
 OR { 3328}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "27  " and name "HB1 ")
 ASSI { 3340}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "43  " and name "HG  ")
      3.300     3.300     0.000 peak  3340 weight  0.10000E+01 volume  0.26290E+01 ppm1      2.596 ppm2      1.477
 OR { 3340}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "27  " and name "HG1 ")
 OR { 3340}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "27  " and name "HG2 ")
 ASSI { 3332}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "43  " and name "HB1 ")
      6.000     6.000     0.000 peak  3332 weight  0.10000E+01 volume  0.16100E+00 ppm1      2.731 ppm2      1.012
 OR { 3332}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 3332}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 3332}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "50  " and name "HG  ")
 OR { 3332}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 3332}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 3332}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 3332}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 3332}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HG  ")
 OR { 3332}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HB1 ")
 ASSI { 3344}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "24  " and name "HA  ")
      6.000     6.000     0.000 peak  3344 weight  0.10000E+01 volume  0.10700E+00 ppm1      2.596 ppm2      3.857
 OR { 3344}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HA  ")
 ASSI { 3345}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "23  " and name "HG21")
      6.000     6.000     0.000 peak  3345 weight  0.10000E+01 volume  0.22000E+00 ppm1      2.594 ppm2      1.018
 OR { 3345}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 3345}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "43  " and name "HB1 ")
 OR { 3345}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 3345}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HG  ")
 ASSI { 3342}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "41  " and name "HB1 ")
      5.000     5.000     0.000 peak  3342 weight  0.10000E+01 volume  0.76600E+00 ppm1      2.595 ppm2      1.899
 OR { 3342}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "41  " and name "HB2 ")
 ASSI { 4995}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HA  ")
      6.000     6.000     0.000 peak  4995 weight  0.10000E+01 volume  0.17500E+00 ppm1      1.318 ppm2      4.096
 OR { 4995}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HA  ")
 ASSI { 5013}
     (segid "    " and resid "61  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HB2 ")
      6.000     6.000     0.000 peak  5013 weight  0.10000E+01 volume  0.11000E+00 ppm1      0.976 ppm2      2.567
 ASSI { 4999}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "57  " and name "HB2 ")
      6.000     6.000     0.000 peak  4999 weight  0.10000E+01 volume  0.10700E+00 ppm1      1.314 ppm2      3.907
 ASSI { 4998}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "60  " and name "HA  ")
      6.000     6.000     0.000 peak  4998 weight  0.10000E+01 volume  0.99000E-01 ppm1      1.318 ppm2      4.463
 ASSI { 5000}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "57  " and name "HA  ")
      6.000     6.000     0.000 peak  5000 weight  0.10000E+01 volume  0.12000E+00 ppm1      1.322 ppm2      4.389
 ASSI { 4992}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "62  " and name "HN  ")
      5.000     5.000     0.000 peak  4992 weight  0.10000E+01 volume  0.34000E+00 ppm1      1.315 ppm2      7.703
 ASSI { 5011}
     (segid "    " and resid "61  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HB2 ")
      6.000     6.000     0.000 peak  5011 weight  0.10000E+01 volume  0.13800E+00 ppm1      0.970 ppm2      2.010
 OR { 5011}
     (segid "    " and resid "61  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HB2 ")
 OR { 5011}
     (segid "    " and resid "61  " and name "HB1 ")
     (segid "    " and resid "1   " and name "HB2 ")
 ASSI { 5009}
     (segid "    " and resid "61  " and name "HB1 ")
     (segid "    " and resid "62  " and name "HN  ")
      5.000     5.000     0.000 peak  5009 weight  0.10000E+01 volume  0.59500E+00 ppm1      0.963 ppm2      7.701
 ASSI { 4967}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HN  ")
      3.300     3.300     0.000 peak  4967 weight  0.10000E+01 volume  0.24880E+01 ppm1      1.316 ppm2      6.814
 ASSI { 5012}
     (segid "    " and resid "61  " and name "HB1 ")
     (segid "    " and resid "65  " and name "HB1 ")
      6.000     6.000     0.000 peak  5012 weight  0.10000E+01 volume  0.16700E+00 ppm1      0.972 ppm2      3.856
 ASSI { 5007}
     (segid "    " and resid "61  " and name "HB1 ")
     (segid "    " and resid "1   " and name "HE1 ")
      5.000     5.000     0.000 peak  5007 weight  0.10000E+01 volume  0.66600E+00 ppm1      0.966 ppm2      1.670
 OR { 5007}
     (segid "    " and resid "61  " and name "HB1 ")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 5007}
     (segid "    " and resid "61  " and name "HB1 ")
     (segid "    " and resid "1   " and name "HE2 ")
 ASSI { 3333}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "24  " and name "HA  ")
      6.000     6.000     0.000 peak  3333 weight  0.10000E+01 volume  0.93000E-01 ppm1      2.737 ppm2      3.856
 OR { 3333}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "50  " and name "HA  ")
 ASSI { 3348}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "27  " and name "HN  ")
      6.000     6.000     0.000 peak  3348 weight  0.10000E+01 volume  0.12000E+00 ppm1      2.595 ppm2      8.553
 OR { 3348}
     (segid "    " and resid "27  " and name "HE2 ")
     (segid "    " and resid "50  " and name "HN  ")
 ASSI { 4989}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "1   " and name "HE2 ")
      5.000     5.000     0.000 peak  4989 weight  0.10000E+01 volume  0.64400E+00 ppm1      1.317 ppm2      1.671
 OR { 4989}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 4989}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "1   " and name "HE3 ")
 ASSI { 5006}
     (segid "    " and resid "61  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HN  ")
      5.000     5.000     0.000 peak  5006 weight  0.10000E+01 volume  0.10120E+01 ppm1      0.966 ppm2      6.814
 ASSI { 4996}
     (segid "    " and resid "61  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HB2 ")
      6.000     6.000     0.000 peak  4996 weight  0.10000E+01 volume  0.13300E+00 ppm1      1.321 ppm2      2.561
 ASSI { 4702}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "54  " and name "HN  ")
      5.000     5.000     0.000 peak  4702 weight  0.10000E+01 volume  0.43800E+00 ppm1      3.188 ppm2      7.492
 OR { 4702}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "54  " and name "HN  ")
 ASSI { 4697}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "54  " and name "HB1 ")
      3.300     3.300     0.000 peak  4697 weight  0.10000E+01 volume  0.18000E+01 ppm1      3.188 ppm2      2.303
 OR { 4697}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 4697}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 4697}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "54  " and name "HB2 ")
 ASSI { 4708}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "23  " and name "HG21")
      6.000     6.000     0.000 peak  4708 weight  0.10000E+01 volume  0.91000E-01 ppm1      3.198 ppm2      1.013
 OR { 4708}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 4708}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 4708}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 4708}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 4708}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "23  " and name "HG22")
 ASSI { 4704}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "54  " and name "HE  ")
      6.000     6.000     0.000 peak  4704 weight  0.10000E+01 volume  0.28200E+00 ppm1      3.195 ppm2      7.228
 OR { 4704}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "54  " and name "HE  ")
 ASSI { 8284}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "51  " and name "HB1 ")
      5.000     5.000     0.000 peak  8284 weight  0.10000E+01 volume  0.32700E+00 ppm1      3.191 ppm2      2.171
 OR { 8284}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "51  " and name "HB1 ")
 OR { 8284}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "23  " and name "HB  ")
 OR { 8284}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "23  " and name "HB  ")
 ASSI { 4707}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "51  " and name "HN  ")
      6.000     6.000     0.000 peak  4707 weight  0.10000E+01 volume  0.12700E+00 ppm1      3.190 ppm2      8.206
 OR { 4707}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "51  " and name "HN  ")
 OR { 4707}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "52  " and name "HN  ")
 OR { 4707}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "52  " and name "HN  ")
 ASSI { 4703}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "55  " and name "HN  ")
      5.000     5.000     0.000 peak  4703 weight  0.10000E+01 volume  0.30600E+00 ppm1      3.189 ppm2      8.708
 OR { 4703}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "55  " and name "HN  ")
 ASSI { 4701}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HE1 ")
      5.000     5.000     0.000 peak  4701 weight  0.10000E+01 volume  0.48400E+00 ppm1      3.187 ppm2      6.840
 OR { 4701}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 4701}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 4701}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "59  " and name "HE2 ")
 ASSI { 4374}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "67  " and name "HG12")
      5.000     5.000     0.000 peak  4374 weight  0.10000E+01 volume  0.85400E+00 ppm1      2.764 ppm2      0.855
 OR { 4374}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 4374}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 4374}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "67  " and name "HG22")
 ASSI { 4372}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "67  " and name "HD12")
      5.000     5.000     0.000 peak  4372 weight  0.10000E+01 volume  0.58100E+00 ppm1      2.763 ppm2      0.669
 OR { 4372}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 4372}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 4372}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 4372}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 4372}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 4372}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 4372}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HD21")
 OR { 4372}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HD22")
 OR { 4372}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HD23")
 ASSI { 4363}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HA  ")
      6.000     6.000     0.000 peak  4363 weight  0.10000E+01 volume  0.11600E+00 ppm1      2.923 ppm2      4.623
 OR { 4363}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HA  ")
 ASSI { 4357}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HG12")
      5.000     5.000     0.000 peak  4357 weight  0.10000E+01 volume  0.10260E+01 ppm1      2.927 ppm2      0.871
 OR { 4357}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 4357}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 4357}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HG22")
 ASSI { 4352}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HD1 ")
      3.300     3.300     0.000 peak  4352 weight  0.10000E+01 volume  0.22170E+01 ppm1      2.927 ppm2      7.399
 OR { 4352}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HD2 ")
 ASSI { 8733}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD23")
      3.300     3.300     0.000 peak  8733 weight  0.10000E+01 volume  0.23120E+01 ppm1      1.563 ppm2      0.873
 OR { 8733}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD22")
 OR { 8733}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD21")
 ASSI { 8725}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD21")
      3.300     3.300     0.000 peak  8725 weight  0.10000E+01 volume  0.21450E+01 ppm1      1.641 ppm2      0.878
 OR { 8725}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD23")
 OR { 8725}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD22")
 ASSI { 8735}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD11")
      3.300     3.300     0.000 peak  8735 weight  0.10000E+01 volume  0.21380E+01 ppm1      1.562 ppm2      0.987
 OR { 8735}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD12")
 OR { 8735}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD13")
 ASSI { 8727}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD12")
      3.300     3.300     0.000 peak  8727 weight  0.10000E+01 volume  0.27010E+01 ppm1      1.644 ppm2      0.987
 OR { 8727}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD11")
 OR { 8727}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD13")
 ASSI { 2625}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "72  " and name "HN  ")
      5.000     5.000     0.000 peak  2625 weight  0.10000E+01 volume  0.56100E+00 ppm1      1.564 ppm2      8.548
 ASSI { 2623}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "72  " and name "HN  ")
      5.000     5.000     0.000 peak  2623 weight  0.10000E+01 volume  0.53000E+00 ppm1      1.641 ppm2      8.550
 ASSI { 4358}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HD12")
      5.000     5.000     0.000 peak  4358 weight  0.10000E+01 volume  0.53400E+00 ppm1      2.929 ppm2      0.667
 OR { 4358}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 4358}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 4358}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 4358}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 4358}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 4358}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HD21")
 OR { 4358}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HD22")
 OR { 4358}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "26  " and name "HD23")
 ASSI { 4368}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HN  ")
      5.000     5.000     0.000 peak  4368 weight  0.10000E+01 volume  0.10200E+01 ppm1      2.766 ppm2      9.153
 ASSI { 4373}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HG  ")
      6.000     6.000     0.000 peak  4373 weight  0.10000E+01 volume  0.20400E+00 ppm1      2.755 ppm2      1.041
 OR { 4373}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HB1 ")
 ASSI { 4225}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HB1 ")
      6.000     6.000     0.000 peak  4225 weight  0.10000E+01 volume  0.59000E-01 ppm1      2.931 ppm2      3.437
 ASSI { 4355}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HN  ")
      5.000     5.000     0.000 peak  4355 weight  0.10000E+01 volume  0.73600E+00 ppm1      2.929 ppm2      9.154
 ASSI { 4370}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD11")
      5.000     5.000     0.000 peak  4370 weight  0.10000E+01 volume  0.76600E+00 ppm1      2.765 ppm2      0.480
 OR { 4370}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD12")
 OR { 4370}
     (segid "    " and resid "45  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD13")
 ASSI { 4362}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HG  ")
      6.000     6.000     0.000 peak  4362 weight  0.10000E+01 volume  0.19600E+00 ppm1      2.934 ppm2      1.055
 OR { 4362}
     (segid "    " and resid "45  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HB1 ")
 ASSI { 8912}
     (segid "    " and resid "74  " and name "HD2 ")
     (segid "    " and resid "74  " and name "HG1 ")
      3.300     3.300     0.000 peak  8912 weight  0.10000E+01 volume  0.22150E+01 ppm1      3.201 ppm2      1.637
 OR { 8912}
     (segid "    " and resid "74  " and name "HD1 ")
     (segid "    " and resid "74  " and name "HG2 ")
 OR { 8912}
     (segid "    " and resid "74  " and name "HD1 ")
     (segid "    " and resid "74  " and name "HG1 ")
 OR { 8912}
     (segid "    " and resid "74  " and name "HD2 ")
     (segid "    " and resid "74  " and name "HG2 ")
 ASSI { 8914}
     (segid "    " and resid "74  " and name "HD1 ")
     (segid "    " and resid "74  " and name "HB1 ")
      5.000     5.000     0.000 peak  8914 weight  0.10000E+01 volume  0.65100E+00 ppm1      3.202 ppm2      1.819
 OR { 8914}
     (segid "    " and resid "74  " and name "HD2 ")
     (segid "    " and resid "74  " and name "HB1 ")
 OR { 8914}
     (segid "    " and resid "74  " and name "HD1 ")
     (segid "    " and resid "74  " and name "HB2 ")
 OR { 8914}
     (segid "    " and resid "74  " and name "HD2 ")
     (segid "    " and resid "74  " and name "HB2 ")
 ASSI { 8810}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "71  " and name "HD11")
      6.000     6.000     0.000 peak  8810 weight  0.10000E+01 volume  0.23800E+00 ppm1      3.137 ppm2      0.938
 OR { 8810}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "71  " and name "HD12")
 OR { 8810}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "71  " and name "HD11")
 OR { 8810}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "71  " and name "HD13")
 OR { 8810}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "73  " and name "HD12")
 OR { 8810}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "73  " and name "HD11")
 OR { 8810}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "71  " and name "HD13")
 OR { 8810}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "71  " and name "HD12")
 OR { 8810}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "73  " and name "HD13")
 OR { 8810}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "73  " and name "HD13")
 OR { 8810}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "73  " and name "HD12")
 OR { 8810}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "73  " and name "HD11")
 OR { 8810}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 8810}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 8810}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "36  " and name "HG23")
 OR { 8810}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 8810}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 8810}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "70  " and name "HG12")
 OR { 8810}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "36  " and name "HG23")
 OR { 8810}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "70  " and name "HG12")
 ASSI { 8812}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "72  " and name "HB2 ")
      2.700     2.700     0.000 peak  8812 weight  0.10000E+01 volume  0.59070E+01 ppm1      3.141 ppm2      1.523
 OR { 8812}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HB2 ")
 OR { 8812}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "72  " and name "HG2 ")
 OR { 8812}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HG1 ")
 OR { 8812}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HG2 ")
 OR { 8812}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "72  " and name "HG1 ")
 ASSI { 8820}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "40  " and name "HA  ")
      5.000     5.000     0.000 peak  8820 weight  0.10000E+01 volume  0.97600E+00 ppm1      3.135 ppm2      4.442
 OR { 8820}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "40  " and name "HA  ")
 OR { 8820}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "39  " and name "HA  ")
 OR { 8820}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "39  " and name "HA  ")
 ASSI { 8822}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HN  ")
      6.000     6.000     0.000 peak  8822 weight  0.10000E+01 volume  0.21100E+00 ppm1      3.143 ppm2      8.544
 OR { 8822}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "72  " and name "HN  ")
 ASSI { 4177}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "44  " and name "HG12")
      6.000     6.000     0.000 peak  4177 weight  0.10000E+01 volume  0.66000E-01 ppm1      3.078 ppm2      1.091
 OR { 4177}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "44  " and name "HG12")
 ASSI { 4173}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "49  " and name "HE22")
      6.000     6.000     0.000 peak  4173 weight  0.10000E+01 volume  0.12600E+00 ppm1      3.079 ppm2      6.889
 OR { 4173}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "49  " and name "HE22")
 ASSI { 4165}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "44  " and name "HD13")
      5.000     5.000     0.000 peak  4165 weight  0.10000E+01 volume  0.61800E+00 ppm1      3.077 ppm2      0.661
 OR { 4165}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 4165}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 4165}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 4165}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "44  " and name "HD11")
 OR { 4165}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "44  " and name "HD11")
 ASSI { 4166}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "72  " and name "HA  ")
      5.000     5.000     0.000 peak  4166 weight  0.10000E+01 volume  0.56900E+00 ppm1      3.074 ppm2      4.232
 OR { 4166}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HA  ")
 ASSI { 4162}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "70  " and name "HG21")
      5.000     5.000     0.000 peak  4162 weight  0.10000E+01 volume  0.91300E+00 ppm1      3.076 ppm2      0.828
 OR { 4162}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 4162}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "70  " and name "HG23")
 OR { 4162}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 4162}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "73  " and name "HD23")
 OR { 4162}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "70  " and name "HG23")
 OR { 4162}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "70  " and name "HG21")
 OR { 4162}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "73  " and name "HD22")
 OR { 4162}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "73  " and name "HD21")
 OR { 4162}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "73  " and name "HD21")
 OR { 4162}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "73  " and name "HD23")
 OR { 4162}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "73  " and name "HD22")
 OR { 4162}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 4162}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 4162}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 4162}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "69  " and name "HD12")
 ASSI { 4172}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "49  " and name "HB2 ")
      6.000     6.000     0.000 peak  4172 weight  0.10000E+01 volume  0.22100E+00 ppm1      3.076 ppm2      1.955
 OR { 4172}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "49  " and name "HB1 ")
 OR { 4172}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "49  " and name "HB2 ")
 OR { 4172}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "49  " and name "HB1 ")
 OR { 4172}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "41  " and name "HB1 ")
 OR { 4172}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "41  " and name "HB1 ")
 OR { 4172}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "8   " and name "HB1 ")
 OR { 4172}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "8   " and name "HB1 ")
 ASSI { 4167}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "70  " and name "HG12")
      5.000     5.000     0.000 peak  4167 weight  0.10000E+01 volume  0.61000E+00 ppm1      3.074 ppm2      0.938
 OR { 4167}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "70  " and name "HG11")
 OR { 4167}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "70  " and name "HG11")
 OR { 4167}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "70  " and name "HG12")
 OR { 4167}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "70  " and name "HG13")
 OR { 4167}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "70  " and name "HG13")
 OR { 4167}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "73  " and name "HD13")
 OR { 4167}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "73  " and name "HD13")
 OR { 4167}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "73  " and name "HD12")
 OR { 4167}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "73  " and name "HD12")
 OR { 4167}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "73  " and name "HD11")
 OR { 4167}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "73  " and name "HD11")
 ASSI { 4170}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "43  " and name "HN  ")
      6.000     6.000     0.000 peak  4170 weight  0.10000E+01 volume  0.21100E+00 ppm1      3.077 ppm2      8.972
 OR { 4170}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "43  " and name "HN  ")
 ASSI { 4169}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "72  " and name "HN  ")
      6.000     6.000     0.000 peak  4169 weight  0.10000E+01 volume  0.19300E+00 ppm1      3.079 ppm2      8.492
 OR { 4169}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HN  ")
 OR { 4169}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "42  " and name "HN  ")
 OR { 4169}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "42  " and name "HN  ")
 ASSI { 5450}
     (segid "    " and resid "69  " and name "HB2 ")
     (segid "    " and resid "7   " and name "HA  ")
      6.000     6.000     0.000 peak  5450 weight  0.10000E+01 volume  0.29000E+00 ppm1      1.098 ppm2      4.892
 ASSI { 2501}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HA  ")
      3.300     3.300     0.000 peak  2501 weight  0.10000E+01 volume  0.15970E+01 ppm1      1.675 ppm2      5.091
 ASSI { 5451}
     (segid "    " and resid "69  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HA  ")
      5.000     5.000     0.000 peak  5451 weight  0.10000E+01 volume  0.34400E+00 ppm1      1.092 ppm2      5.275
 OR { 5451}
     (segid "    " and resid "69  " and name "HB2 ")
     (segid "    " and resid "6   " and name "HA  ")
 ASSI { 4176}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "42  " and name "HE  ")
      6.000     6.000     0.000 peak  4176 weight  0.10000E+01 volume  0.49000E-01 ppm1      3.076 ppm2      7.153
 OR { 4176}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "42  " and name "HE  ")
 ASSI { 2496}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HN  ")
      3.300     3.300     0.000 peak  2496 weight  0.10000E+01 volume  0.21110E+01 ppm1      1.674 ppm2      8.323
 ASSI { 5447}
     (segid "    " and resid "69  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HN  ")
      5.000     5.000     0.000 peak  5447 weight  0.10000E+01 volume  0.12080E+01 ppm1      1.097 ppm2      8.336
 ASSI { 2508}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "57  " and name "HN  ")
      6.000     6.000     0.000 peak  2508 weight  0.10000E+01 volume  0.24500E+00 ppm1      1.670 ppm2      8.714
 OR { 2508}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "7   " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "57  " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "57  " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "2   " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "7   " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "2   " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "2   " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "15  " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "2   " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "2   " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "57  " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "57  " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "34  " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "34  " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "34  " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "7   " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "7   " and name "HN  ")
 OR { 2508}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "7   " and name "HN  ")
 ASSI { 5449}
     (segid "    " and resid "69  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HN  ")
      5.000     5.000     0.000 peak  5449 weight  0.10000E+01 volume  0.47400E+00 ppm1      1.095 ppm2      9.233
 ASSI { 2503}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "5   " and name "HN  ")
      5.000     5.000     0.000 peak  2503 weight  0.10000E+01 volume  0.71300E+00 ppm1      1.686 ppm2      9.229
 OR { 2503}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HN  ")
 OR { 2503}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "5   " and name "HN  ")
 OR { 2503}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HN  ")
 ASSI { 8646}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "61  " and name "HD21")
      6.000     6.000     0.000 peak  8646 weight  0.10000E+01 volume  0.15500E+00 ppm1      1.667 ppm2     -0.091
 OR { 8646}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "61  " and name "HD23")
 OR { 8646}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "61  " and name "HD22")
 OR { 8646}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "61  " and name "HD23")
 OR { 8646}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "61  " and name "HD22")
 OR { 8646}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "61  " and name "HD21")
 OR { 8646}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "61  " and name "HD23")
 OR { 8646}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "61  " and name "HD22")
 OR { 8646}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "61  " and name "HD21")
 ASSI { 2509}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "57  " and name "HA  ")
      6.000     6.000     0.000 peak  2509 weight  0.10000E+01 volume  0.28600E+00 ppm1      1.669 ppm2      4.419
 OR { 2509}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "57  " and name "HA  ")
 OR { 2509}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "57  " and name "HA  ")
 OR { 2509}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 2509}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "3   " and name "HA  ")
 OR { 2509}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "60  " and name "HA  ")
 OR { 2509}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "3   " and name "HA  ")
 OR { 2509}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "60  " and name "HA  ")
 OR { 2509}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "3   " and name "HA  ")
 OR { 2509}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "60  " and name "HA  ")
 OR { 2509}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "3   " and name "HA  ")
 OR { 2509}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "57  " and name "HA  ")
 OR { 2509}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "60  " and name "HA  ")
 OR { 2509}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 2509}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 2509}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "70  " and name "HA  ")
 ASSI { 2510}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "62  " and name "HN  ")
      6.000     6.000     0.000 peak  2510 weight  0.10000E+01 volume  0.76000E-01 ppm1      1.667 ppm2      7.690
 OR { 2510}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "62  " and name "HN  ")
 OR { 2510}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "62  " and name "HN  ")
 ASSI { 2497}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "62  " and name "HA  ")
      5.000     5.000     0.000 peak  2497 weight  0.10000E+01 volume  0.53300E+00 ppm1      1.669 ppm2      4.596
 OR { 2497}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "62  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "62  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "15  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "55  " and name "HB  ")
 OR { 2497}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "55  " and name "HB  ")
 OR { 2497}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "55  " and name "HB  ")
 OR { 2497}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "15  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "15  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "15  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "15  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "27  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "62  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "62  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "55  " and name "HB  ")
 OR { 2497}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "55  " and name "HB  ")
 OR { 2497}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "34  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "34  " and name "HA  ")
 OR { 2497}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "34  " and name "HA  ")
 ASSI { 2485}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "19  " and name "HA  ")
      3.300     3.300     0.000 peak  2485 weight  0.10000E+01 volume  0.27000E+01 ppm1      1.668 ppm2      4.122
 OR { 2485}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "19  " and name "HA  ")
 OR { 2485}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "19  " and name "HA  ")
 ASSI { 2494}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "19  " and name "HD2 ")
      5.000     5.000     0.000 peak  2494 weight  0.10000E+01 volume  0.99200E+00 ppm1      1.669 ppm2      3.800
 OR { 2494}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "19  " and name "HD2 ")
 OR { 2494}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "19  " and name "HD2 ")
 ASSI { 2499}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "19  " and name "HD1 ")
      5.000     5.000     0.000 peak  2499 weight  0.10000E+01 volume  0.50800E+00 ppm1      1.670 ppm2      3.991
 OR { 2499}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "19  " and name "HD1 ")
 OR { 2499}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "19  " and name "HD1 ")
 OR { 2499}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "63  " and name "HA  ")
 OR { 2499}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "63  " and name "HA  ")
 OR { 2499}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "63  " and name "HA  ")
 OR { 2499}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "57  " and name "HB2 ")
 OR { 2499}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "57  " and name "HB2 ")
 OR { 2499}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "14  " and name "HB  ")
 OR { 2499}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "57  " and name "HB2 ")
 OR { 2499}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "14  " and name "HB  ")
 OR { 2499}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "14  " and name "HB  ")
 OR { 2499}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "14  " and name "HB  ")
 OR { 2499}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "63  " and name "HA  ")
 OR { 2499}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HD1 ")
 OR { 2499}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "57  " and name "HB2 ")
 ASSI { 2507}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "61  " and name "HN  ")
      6.000     6.000     0.000 peak  2507 weight  0.10000E+01 volume  0.50000E-01 ppm1      1.673 ppm2      6.812
 OR { 2507}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "61  " and name "HN  ")
 OR { 2507}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "61  " and name "HN  ")
 ASSI { 2518}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG22")
      6.000     6.000     0.000 peak  2518 weight  0.10000E+01 volume  0.18300E+00 ppm1      1.510 ppm2      0.568
 OR { 2518}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG23")
 OR { 2518}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG21")
 ASSI { 8955}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "61  " and name "HA  ")
      6.000     6.000     0.000 peak  8955 weight  0.10000E+01 volume  0.17900E+00 ppm1      1.668 ppm2      3.703
 OR { 8955}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "61  " and name "HA  ")
 OR { 8955}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "61  " and name "HA  ")
 ASSI { 2511}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HN  ")
      5.000     5.000     0.000 peak  2511 weight  0.10000E+01 volume  0.80300E+00 ppm1      1.509 ppm2      9.686
 ASSI { 2492}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD11")
      3.300     3.300     0.000 peak  2492 weight  0.10000E+01 volume  0.19870E+01 ppm1      1.509 ppm2      0.802
 OR { 2492}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 2492}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 2492}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 2492}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 2492}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HD22")
 ASSI { 2513}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG11")
      5.000     5.000     0.000 peak  2513 weight  0.10000E+01 volume  0.89400E+00 ppm1      1.509 ppm2      0.695
 OR { 2513}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "5   " and name "HG12")
 OR { 2513}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 2513}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG13")
 OR { 2513}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "5   " and name "HG13")
 OR { 2513}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "5   " and name "HG11")
 OR { 2513}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "5   " and name "HG23")
 OR { 2513}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "5   " and name "HG21")
 OR { 2513}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "5   " and name "HG22")
 ASSI { 2502}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "13  " and name "HA  ")
      3.300     3.300     0.000 peak  2502 weight  0.10000E+01 volume  0.16310E+01 ppm1      1.505 ppm2      4.775
 ASSI { 2498}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "13  " and name "HN  ")
      5.000     5.000     0.000 peak  2498 weight  0.10000E+01 volume  0.86800E+00 ppm1      1.688 ppm2      9.686
 ASSI { 2504}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "14  " and name "HN  ")
      5.000     5.000     0.000 peak  2504 weight  0.10000E+01 volume  0.55200E+00 ppm1      1.686 ppm2      8.574
 ASSI { 2512}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "14  " and name "HN  ")
      5.000     5.000     0.000 peak  2512 weight  0.10000E+01 volume  0.67200E+00 ppm1      1.506 ppm2      8.570
 ASSI { 2519}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "12  " and name "HA  ")
      6.000     6.000     0.000 peak  2519 weight  0.10000E+01 volume  0.15700E+00 ppm1      1.505 ppm2      5.094
 ASSI { 4208}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "69  " and name "HA  ")
      6.000     6.000     0.000 peak  4208 weight  0.10000E+01 volume  0.21500E+00 ppm1      1.022 ppm2      5.095
 ASSI { 4196}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "42  " and name "HA  ")
      6.000     6.000     0.000 peak  4196 weight  0.10000E+01 volume  0.21900E+00 ppm1      1.707 ppm2      4.465
 ASSI { 4210}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "42  " and name "HA  ")
      6.000     6.000     0.000 peak  4210 weight  0.10000E+01 volume  0.13500E+00 ppm1      1.022 ppm2      4.462
 OR { 4210}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HA  ")
 ASSI { 4203}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD12")
      5.000     5.000     0.000 peak  4203 weight  0.10000E+01 volume  0.98000E+00 ppm1      1.023 ppm2      0.476
 OR { 4203}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD11")
 OR { 4203}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD13")
 ASSI { 4190}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HN  ")
      3.300     3.300     0.000 peak  4190 weight  0.10000E+01 volume  0.16470E+01 ppm1      1.701 ppm2      8.976
 ASSI { 4201}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HG  ")
      3.300     3.300     0.000 peak  4201 weight  0.10000E+01 volume  0.28820E+01 ppm1      1.029 ppm2      1.473
 OR { 4201}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HB2 ")
 ASSI { 4194}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HN  ")
      5.000     5.000     0.000 peak  4194 weight  0.10000E+01 volume  0.57700E+00 ppm1      1.699 ppm2      8.602
 ASSI { 4199}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD12")
      2.700     2.700     0.000 peak  4199 weight  0.10000E+01 volume  0.55480E+01 ppm1      1.703 ppm2      0.807
 OR { 4199}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 4199}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 4199}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 4199}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 4199}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HD21")
 ASSI { 4207}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD23")
      6.000     6.000     0.000 peak  4207 weight  0.10000E+01 volume  0.18100E+00 ppm1      1.026 ppm2      0.040
 OR { 4207}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD22")
 OR { 4207}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD21")
 ASSI { 4197}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "44  " and name "HN  ")
      5.000     5.000     0.000 peak  4197 weight  0.10000E+01 volume  0.30500E+00 ppm1      1.704 ppm2      9.155
 OR { 4197}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HN  ")
 ASSI { 4204}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "43  " and name "HN  ")
      5.000     5.000     0.000 peak  4204 weight  0.10000E+01 volume  0.96000E+00 ppm1      1.029 ppm2      8.976
 ASSI { 4209}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HN  ")
      6.000     6.000     0.000 peak  4209 weight  0.10000E+01 volume  0.22700E+00 ppm1      1.036 ppm2      8.605
 ASSI { 4195}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD22")
      6.000     6.000     0.000 peak  4195 weight  0.10000E+01 volume  0.15600E+00 ppm1      1.701 ppm2      0.038
 OR { 4195}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD21")
 OR { 4195}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HD23")
 ASSI { 4206}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "44  " and name "HN  ")
      5.000     5.000     0.000 peak  4206 weight  0.10000E+01 volume  0.56200E+00 ppm1      1.030 ppm2      9.151
 OR { 4206}
     (segid "    " and resid "43  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HN  ")
 ASSI { 4652}
     (segid "    " and resid "53  " and name "HA1 ")
     (segid "    " and resid "53  " and name "HN  ")
      3.300     3.300     0.000 peak  4652 weight  0.10000E+01 volume  0.20760E+01 ppm1      4.214 ppm2      9.979
 ASSI { 4668}
     (segid "    " and resid "53  " and name "HA2 ")
     (segid "    " and resid "52  " and name "HB2 ")
      6.000     6.000     0.000 peak  4668 weight  0.10000E+01 volume  0.16100E+00 ppm1      3.917 ppm2      2.465
 OR { 4668}
     (segid "    " and resid "53  " and name "HA2 ")
     (segid "    " and resid "24  " and name "HG1 ")
 ASSI { 4657}
     (segid "    " and resid "53  " and name "HA2 ")
     (segid "    " and resid "53  " and name "HN  ")
      3.300     3.300     0.000 peak  4657 weight  0.10000E+01 volume  0.24380E+01 ppm1      3.920 ppm2      9.982
 ASSI { 4669}
     (segid "    " and resid "53  " and name "HA2 ")
     (segid "    " and resid "22  " and name "HG23")
      6.000     6.000     0.000 peak  4669 weight  0.10000E+01 volume  0.15400E+00 ppm1      3.917 ppm2      1.240
 OR { 4669}
     (segid "    " and resid "53  " and name "HA2 ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 4669}
     (segid "    " and resid "53  " and name "HA2 ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 4669}
     (segid "    " and resid "53  " and name "HA2 ")
     (segid "    " and resid "55  " and name "HG21")
 OR { 4669}
     (segid "    " and resid "53  " and name "HA2 ")
     (segid "    " and resid "55  " and name "HG23")
 ASSI { 4659}
     (segid "    " and resid "53  " and name "HA2 ")
     (segid "    " and resid "54  " and name "HN  ")
      5.000     5.000     0.000 peak  4659 weight  0.10000E+01 volume  0.70400E+00 ppm1      3.922 ppm2      7.493
 ASSI { 4653}
     (segid "    " and resid "53  " and name "HA1 ")
     (segid "    " and resid "54  " and name "HN  ")
      5.000     5.000     0.000 peak  4653 weight  0.10000E+01 volume  0.78400E+00 ppm1      4.212 ppm2      7.492
 ASSI { 2047}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "4   " and name "HN  ")
      5.000     5.000     0.000 peak  2047 weight  0.10000E+01 volume  0.47400E+00 ppm1      1.387 ppm2      8.399
 ASSI { 2048}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "3   " and name "HN  ")
      5.000     5.000     0.000 peak  2048 weight  0.10000E+01 volume  0.14440E+01 ppm1      1.385 ppm2      8.771
 OR { 2048}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "15  " and name "HN  ")
 ASSI { 2044}
     (segid "    " and resid "3   " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD11")
      3.300     3.300     0.000 peak  2044 weight  0.10000E+01 volume  0.27700E+01 ppm1      1.130 ppm2      0.578
 OR { 2044}
     (segid "    " and resid "3   " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 2044}
     (segid "    " and resid "3   " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD13")
 ASSI { 2046}
     (segid "    " and resid "3   " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD23")
      3.300     3.300     0.000 peak  2046 weight  0.10000E+01 volume  0.20280E+01 ppm1      1.132 ppm2      0.725
 OR { 2046}
     (segid "    " and resid "3   " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD22")
 OR { 2046}
     (segid "    " and resid "3   " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD21")
 OR { 2046}
     (segid "    " and resid "3   " and name "HB1 ")
     (segid "    " and resid "5   " and name "HG21")
 ASSI { 2051}
     (segid "    " and resid "3   " and name "HB1 ")
     (segid "    " and resid "4   " and name "HN  ")
      5.000     5.000     0.000 peak  2051 weight  0.10000E+01 volume  0.10610E+01 ppm1      1.132 ppm2      8.403
 ASSI { 2052}
     (segid "    " and resid "3   " and name "HB1 ")
     (segid "    " and resid "3   " and name "HN  ")
      5.000     5.000     0.000 peak  2052 weight  0.10000E+01 volume  0.65000E+00 ppm1      1.132 ppm2      8.770
 OR { 2052}
     (segid "    " and resid "3   " and name "HB1 ")
     (segid "    " and resid "15  " and name "HN  ")
 ASSI { 2041}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD22")
      3.300     3.300     0.000 peak  2041 weight  0.10000E+01 volume  0.17790E+01 ppm1      1.383 ppm2      0.721
 OR { 2041}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "3   " and name "HD23")
 OR { 2041}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "3   " and name "HD22")
 OR { 2041}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "3   " and name "HD21")
 OR { 2041}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD21")
 OR { 2041}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "26  " and name "HD12")
 OR { 2041}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "5   " and name "HG23")
 OR { 2041}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "5   " and name "HG21")
 OR { 2041}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "5   " and name "HG22")
 OR { 2041}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 2041}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "26  " and name "HD13")
 ASSI { 2040}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG22")
      2.700     2.700     0.000 peak  2040 weight  0.10000E+01 volume  0.38160E+01 ppm1      1.383 ppm2      0.581
 OR { 2040}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 2040}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "3   " and name "HD13")
 OR { 2040}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "3   " and name "HD11")
 OR { 2040}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG23")
 OR { 2040}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG21")
 ASSI { 2043}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "15  " and name "HB  ")
      5.000     5.000     0.000 peak  2043 weight  0.10000E+01 volume  0.38200E+00 ppm1      1.383 ppm2      1.752
 OR { 2043}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "67  " and name "HB  ")
 OR { 2043}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "2   " and name "HB2 ")
 OR { 2043}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "16  " and name "HB2 ")
 ASSI { 4654}
     (segid "    " and resid "53  " and name "HA1 ")
     (segid "    " and resid "52  " and name "HB1 ")
      6.000     6.000     0.000 peak  4654 weight  0.10000E+01 volume  0.15300E+00 ppm1      4.223 ppm2      2.648
 ASSI { 4670}
     (segid "    " and resid "53  " and name "HA2 ")
     (segid "    " and resid "54  " and name "HG2 ")
      6.000     6.000     0.000 peak  4670 weight  0.10000E+01 volume  0.16700E+00 ppm1      3.952 ppm2      1.617
 OR { 4670}
     (segid "    " and resid "75  " and name "HA2 ")
     (segid "    " and resid "74  " and name "HG1 ")
 OR { 4670}
     (segid "    " and resid "75  " and name "HA2 ")
     (segid "    " and resid "73  " and name "HB1 ")
 OR { 4670}
     (segid "    " and resid "75  " and name "HA2 ")
     (segid "    " and resid "74  " and name "HG2 ")
 OR { 4670}
     (segid "    " and resid "75  " and name "HA1 ")
     (segid "    " and resid "74  " and name "HG2 ")
 OR { 4670}
     (segid "    " and resid "75  " and name "HA1 ")
     (segid "    " and resid "74  " and name "HG1 ")
 OR { 4670}
     (segid "    " and resid "75  " and name "HA1 ")
     (segid "    " and resid "73  " and name "HB1 ")
 OR { 4670}
     (segid "    " and resid "53  " and name "HA2 ")
     (segid "    " and resid "73  " and name "HB1 ")
 OR { 4670}
     (segid "    " and resid "53  " and name "HA2 ")
     (segid "    " and resid "74  " and name "HG1 ")
 OR { 4670}
     (segid "    " and resid "75  " and name "HA2 ")
     (segid "    " and resid "54  " and name "HG2 ")
 OR { 4670}
     (segid "    " and resid "75  " and name "HA1 ")
     (segid "    " and resid "54  " and name "HG2 ")
 OR { 4670}
     (segid "    " and resid "53  " and name "HA2 ")
     (segid "    " and resid "74  " and name "HG2 ")
 ASSI { 4662}
     (segid "    " and resid "75  " and name "HA2 ")
     (segid "    " and resid "75  " and name "HN  ")
      5.000     5.000     0.000 peak  4662 weight  0.10000E+01 volume  0.33600E+00 ppm1      3.960 ppm2      8.475
 OR { 4662}
     (segid "    " and resid "75  " and name "HA1 ")
     (segid "    " and resid "75  " and name "HN  ")
 ASSI { 4660}
     (segid "    " and resid "53  " and name "HA1 ")
     (segid "    " and resid "24  " and name "HG1 ")
      6.000     6.000     0.000 peak  4660 weight  0.10000E+01 volume  0.13000E+00 ppm1      4.203 ppm2      2.468
 OR { 4660}
     (segid "    " and resid "53  " and name "HA1 ")
     (segid "    " and resid "52  " and name "HB2 ")
 ASSI { 4664}
     (segid "    " and resid "53  " and name "HA2 ")
     (segid "    " and resid "52  " and name "HB1 ")
      6.000     6.000     0.000 peak  4664 weight  0.10000E+01 volume  0.19700E+00 ppm1      3.913 ppm2      2.645
 ASSI { 4405}
     (segid "    " and resid "47  " and name "HA1 ")
     (segid "    " and resid "48  " and name "HG2 ")
      6.000     6.000     0.000 peak  4405 weight  0.10000E+01 volume  0.13300E+00 ppm1      4.108 ppm2      1.563
 OR { 4405}
     (segid "    " and resid "47  " and name "HA1 ")
     (segid "    " and resid "48  " and name "HG1 ")
 ASSI { 4407}
     (segid "    " and resid "47  " and name "HA1 ")
     (segid "    " and resid "48  " and name "HA  ")
      6.000     6.000     0.000 peak  4407 weight  0.10000E+01 volume  0.13600E+00 ppm1      4.108 ppm2      4.649
 ASSI { 4404}
     (segid "    " and resid "47  " and name "HA1 ")
     (segid "    " and resid "46  " and name "HA  ")
      6.000     6.000     0.000 peak  4404 weight  0.10000E+01 volume  0.26200E+00 ppm1      4.100 ppm2      3.673
 ASSI { 2374}
     (segid "    " and resid "10  " and name "HA1 ")
     (segid "    " and resid "11  " and name "HN  ")
      5.000     5.000     0.000 peak  2374 weight  0.10000E+01 volume  0.47500E+00 ppm1      4.319 ppm2      7.282
 ASSI { 4410}
     (segid "    " and resid "47  " and name "HA2 ")
     (segid "    " and resid "44  " and name "HG22")
      3.300     3.300     0.000 peak  4410 weight  0.10000E+01 volume  0.16210E+01 ppm1      3.460 ppm2      0.691
 OR { 4410}
     (segid "    " and resid "47  " and name "HA2 ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 4410}
     (segid "    " and resid "47  " and name "HA2 ")
     (segid "    " and resid "44  " and name "HG23")
 ASSI { 4667}
     (segid "    " and resid "75  " and name "HA1 ")
     (segid "    " and resid "76  " and name "HN  ")
      6.000     6.000     0.000 peak  4667 weight  0.10000E+01 volume  0.18100E+00 ppm1      3.956 ppm2      7.940
 OR { 4667}
     (segid "    " and resid "75  " and name "HA2 ")
     (segid "    " and resid "76  " and name "HN  ")
 ASSI { 2390}
     (segid "    " and resid "10  " and name "HA2 ")
     (segid "    " and resid "6   " and name "HB1 ")
      6.000     6.000     0.000 peak  2390 weight  0.10000E+01 volume  0.15000E+00 ppm1      3.610 ppm2      1.405
 OR { 2390}
     (segid "    " and resid "10  " and name "HA2 ")
     (segid "    " and resid "6   " and name "HG1 ")
 OR { 2390}
     (segid "    " and resid "10  " and name "HA2 ")
     (segid "    " and resid "11  " and name "HG1 ")
 ASSI { 2373}
     (segid "    " and resid "10  " and name "HA1 ")
     (segid "    " and resid "10  " and name "HN  ")
      3.300     3.300     0.000 peak  2373 weight  0.10000E+01 volume  0.16410E+01 ppm1      4.323 ppm2      7.828
 ASSI { 8143}
     (segid "    " and resid "47  " and name "HA2 ")
     (segid "    " and resid "46  " and name "HB1 ")
      6.000     6.000     0.000 peak  8143 weight  0.10000E+01 volume  0.16900E+00 ppm1      3.463 ppm2      0.775
 OR { 8143}
     (segid "    " and resid "47  " and name "HA2 ")
     (segid "    " and resid "46  " and name "HB2 ")
 OR { 8143}
     (segid "    " and resid "47  " and name "HA2 ")
     (segid "    " and resid "46  " and name "HB3 ")
 ASSI { 4409}
     (segid "    " and resid "47  " and name "HA2 ")
     (segid "    " and resid "47  " and name "HN  ")
      2.700     2.700     0.000 peak  4409 weight  0.10000E+01 volume  0.39660E+01 ppm1      3.460 ppm2      8.077
 OR { 4409}
     (segid "    " and resid "47  " and name "HA2 ")
     (segid "    " and resid "48  " and name "HN  ")
 ASSI { 2377}
     (segid "    " and resid "10  " and name "HA1 ")
     (segid "    " and resid "6   " and name "HE2 ")
      6.000     6.000     0.000 peak  2377 weight  0.10000E+01 volume  0.20500E+00 ppm1      4.321 ppm2      2.883
 OR { 2377}
     (segid "    " and resid "10  " and name "HA1 ")
     (segid "    " and resid "6   " and name "HE1 ")
 OR { 2377}
     (segid "    " and resid "10  " and name "HA1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 2382}
     (segid "    " and resid "10  " and name "HA2 ")
     (segid "    " and resid "11  " and name "HN  ")
      5.000     5.000     0.000 peak  2382 weight  0.10000E+01 volume  0.50600E+00 ppm1      3.605 ppm2      7.279
 ASSI { 4401}
     (segid "    " and resid "47  " and name "HA1 ")
     (segid "    " and resid "47  " and name "HN  ")
      2.700     2.700     0.000 peak  4401 weight  0.10000E+01 volume  0.36460E+01 ppm1      4.107 ppm2      8.076
 OR { 4401}
     (segid "    " and resid "47  " and name "HA1 ")
     (segid "    " and resid "48  " and name "HN  ")
 ASSI { 2391}
     (segid "    " and resid "10  " and name "HA2 ")
     (segid "    " and resid "6   " and name "HB2 ")
      6.000     6.000     0.000 peak  2391 weight  0.10000E+01 volume  0.15100E+00 ppm1      3.605 ppm2      1.665
 OR { 2391}
     (segid "    " and resid "10  " and name "HA2 ")
     (segid "    " and resid "11  " and name "HB2 ")
 ASSI { 2386}
     (segid "    " and resid "10  " and name "HA2 ")
     (segid "    " and resid "6   " and name "HG2 ")
      6.000     6.000     0.000 peak  2386 weight  0.10000E+01 volume  0.15700E+00 ppm1      3.597 ppm2      1.272
 OR { 2386}
     (segid "    " and resid "10  " and name "HA2 ")
     (segid "    " and resid "11  " and name "HG2 ")
 OR { 2386}
     (segid "    " and resid "10  " and name "HA2 ")
     (segid "    " and resid "9   " and name "HG21")
 OR { 2386}
     (segid "    " and resid "10  " and name "HA2 ")
     (segid "    " and resid "9   " and name "HG22")
 OR { 2386}
     (segid "    " and resid "10  " and name "HA2 ")
     (segid "    " and resid "9   " and name "HG23")
 ASSI { 2376}
     (segid "    " and resid "10  " and name "HA1 ")
     (segid "    " and resid "11  " and name "HG2 ")
      6.000     6.000     0.000 peak  2376 weight  0.10000E+01 volume  0.14700E+00 ppm1      4.321 ppm2      1.274
 OR { 2376}
     (segid "    " and resid "10  " and name "HA1 ")
     (segid "    " and resid "9   " and name "HG21")
 OR { 2376}
     (segid "    " and resid "10  " and name "HA1 ")
     (segid "    " and resid "6   " and name "HG2 ")
 OR { 2376}
     (segid "    " and resid "10  " and name "HA1 ")
     (segid "    " and resid "9   " and name "HG22")
 OR { 2376}
     (segid "    " and resid "10  " and name "HA1 ")
     (segid "    " and resid "9   " and name "HG23")
 ASSI { 2207}
     (segid "    " and resid "10  " and name "HA1 ")
     (segid "    " and resid "6   " and name "HB2 ")
      6.000     6.000     0.000 peak  2207 weight  0.10000E+01 volume  0.13300E+00 ppm1      4.322 ppm2      1.672
 OR { 2207}
     (segid "    " and resid "10  " and name "HA1 ")
     (segid "    " and resid "11  " and name "HB2 ")
 OR { 2207}
     (segid "    " and resid "10  " and name "HA1 ")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 2207}
     (segid "    " and resid "10  " and name "HA1 ")
     (segid "    " and resid "11  " and name "HD1 ")
 ASSI { 3767}
     (segid "    " and resid "35  " and name "HA1 ")
     (segid "    " and resid "35  " and name "HN  ")
      3.300     3.300     0.000 peak  3767 weight  0.10000E+01 volume  0.26990E+01 ppm1      4.115 ppm2      8.498
 ASSI { 3769}
     (segid "    " and resid "35  " and name "HA1 ")
     (segid "    " and resid "34  " and name "HN  ")
      6.000     6.000     0.000 peak  3769 weight  0.10000E+01 volume  0.25600E+00 ppm1      4.113 ppm2      8.681
 ASSI { 3775}
     (segid "    " and resid "35  " and name "HA2 ")
     (segid "    " and resid "34  " and name "HN  ")
      5.000     5.000     0.000 peak  3775 weight  0.10000E+01 volume  0.36900E+00 ppm1      3.898 ppm2      8.682
 ASSI { 3778}
     (segid "    " and resid "35  " and name "HA2 ")
     (segid "    " and resid "31  " and name "HG2 ")
      5.000     5.000     0.000 peak  3778 weight  0.10000E+01 volume  0.38000E+00 ppm1      3.899 ppm2      1.932
 OR { 3778}
     (segid "    " and resid "35  " and name "HA2 ")
     (segid "    " and resid "31  " and name "HB2 ")
 ASSI { 3770}
     (segid "    " and resid "35  " and name "HA2 ")
     (segid "    " and resid "35  " and name "HN  ")
      2.700     2.700     0.000 peak  3770 weight  0.10000E+01 volume  0.37650E+01 ppm1      3.901 ppm2      8.496
 ASSI { 3776}
     (segid "    " and resid "35  " and name "HA1 ")
     (segid "    " and resid "31  " and name "HG2 ")
      6.000     6.000     0.000 peak  3776 weight  0.10000E+01 volume  0.27700E+00 ppm1      4.119 ppm2      1.919
 OR { 3776}
     (segid "    " and resid "35  " and name "HA1 ")
     (segid "    " and resid "31  " and name "HB2 ")
 ASSI { 3774}
     (segid "    " and resid "35  " and name "HA2 ")
     (segid "    " and resid "36  " and name "HN  ")
      5.000     5.000     0.000 peak  3774 weight  0.10000E+01 volume  0.92800E+00 ppm1      3.899 ppm2      6.188
 ASSI { 3772}
     (segid "    " and resid "35  " and name "HA1 ")
     (segid "    " and resid "31  " and name "HG1 ")
      6.000     6.000     0.000 peak  3772 weight  0.10000E+01 volume  0.20000E+00 ppm1      4.110 ppm2      2.269
 ASSI { 3768}
     (segid "    " and resid "35  " and name "HA1 ")
     (segid "    " and resid "36  " and name "HN  ")
      5.000     5.000     0.000 peak  3768 weight  0.10000E+01 volume  0.76200E+00 ppm1      4.114 ppm2      6.187
 ASSI { 2535}
     (segid "    " and resid "76  " and name "HA1 ")
     (segid "    " and resid "76  " and name "HN  ")
      6.000     6.000     0.000 peak  2535 weight  0.10000E+01 volume  0.28100E+00 ppm1      3.807 ppm2      7.939
 ASSI { 2869}
     (segid "    " and resid "76  " and name "HA2 ")
     (segid "    " and resid "76  " and name "HN  ")
      6.000     6.000     0.000 peak  2869 weight  0.10000E+01 volume  0.25700E+00 ppm1      3.742 ppm2      7.944
 ASSI { 2729}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "16  " and name "HN  ")
      6.000     6.000     0.000 peak  2729 weight  0.10000E+01 volume  0.92000E-01 ppm1      1.291 ppm2      8.106
 OR { 2729}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "25  " and name "HD21")
 ASSI { 2722}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HN  ")
      5.000     5.000     0.000 peak  2722 weight  0.10000E+01 volume  0.69200E+00 ppm1      1.285 ppm2      8.295
 ASSI { 2705}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD11")
      2.700     2.700     0.000 peak  2705 weight  0.10000E+01 volume  0.33000E+01 ppm1      1.885 ppm2      0.730
 OR { 2705}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 2705}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD23")
 OR { 2705}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 2705}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 2705}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD21")
 ASSI { 2717}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD22")
      3.300     3.300     0.000 peak  2717 weight  0.10000E+01 volume  0.26800E+01 ppm1      1.285 ppm2      0.725
 OR { 2717}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD21")
 OR { 2717}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD23")
 OR { 2717}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 2717}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HD11")
 ASSI { 2724}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "21  " and name "HB1 ")
      6.000     6.000     0.000 peak  2724 weight  0.10000E+01 volume  0.18700E+00 ppm1      1.294 ppm2      2.724
 ASSI { 2721}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HD11")
      5.000     5.000     0.000 peak  2721 weight  0.10000E+01 volume  0.12000E+01 ppm1      1.287 ppm2      0.575
 OR { 2721}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HD13")
 OR { 2721}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 2721}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 2721}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "15  " and name "HG21")
 ASSI { 2711}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "21  " and name "HB1 ")
      5.000     5.000     0.000 peak  2711 weight  0.10000E+01 volume  0.54600E+00 ppm1      1.884 ppm2      2.719
 ASSI { 2728}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "18  " and name "HG1 ")
      6.000     6.000     0.000 peak  2728 weight  0.10000E+01 volume  0.13600E+00 ppm1      1.280 ppm2      2.380
 OR { 2728}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 2728}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HB1 ")
 ASSI { 2706}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "18  " and name "HN  ")
      3.300     3.300     0.000 peak  2706 weight  0.10000E+01 volume  0.23220E+01 ppm1      1.881 ppm2      9.362
 ASSI { 2712}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HN  ")
      5.000     5.000     0.000 peak  2712 weight  0.10000E+01 volume  0.44900E+00 ppm1      1.882 ppm2      8.302
 ASSI { 2708}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD11")
      3.300     3.300     0.000 peak  2708 weight  0.10000E+01 volume  0.17690E+01 ppm1      1.880 ppm2      0.846
 OR { 2708}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD12")
 OR { 2708}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HD13")
 ASSI { 2719}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "18  " and name "HN  ")
      5.000     5.000     0.000 peak  2719 weight  0.10000E+01 volume  0.11220E+01 ppm1      1.282 ppm2      9.364
 ASSI { 2723}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HE1 ")
      5.000     5.000     0.000 peak  2723 weight  0.10000E+01 volume  0.58900E+00 ppm1      1.287 ppm2      3.078
 OR { 2723}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "21  " and name "HB2 ")
 ASSI { 2709}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "21  " and name "HB2 ")
      5.000     5.000     0.000 peak  2709 weight  0.10000E+01 volume  0.13730E+01 ppm1      1.882 ppm2      3.090
 ASSI { 2716}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "21  " and name "HN  ")
      6.000     6.000     0.000 peak  2716 weight  0.10000E+01 volume  0.92000E-01 ppm1      1.886 ppm2      7.842
 ASSI { 2713}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "1   " and name "HG2 ")
      6.000     6.000     0.000 peak  2713 weight  0.10000E+01 volume  0.13300E+00 ppm1      1.883 ppm2      2.204
 OR { 2713}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "18  " and name "HG2 ")
 OR { 2713}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "18  " and name "HB1 ")
 OR { 2713}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HG1 ")
 ASSI { 2718}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HA  ")
      5.000     5.000     0.000 peak  2718 weight  0.10000E+01 volume  0.11610E+01 ppm1      1.289 ppm2      4.730
 ASSI { 2710}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD13")
      5.000     5.000     0.000 peak  2710 weight  0.10000E+01 volume  0.67600E+00 ppm1      1.884 ppm2      0.569
 OR { 2710}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD11")
 OR { 2710}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 2710}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 2710}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 2710}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HD22")
 ASSI { 2727}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "16  " and name "HA  ")
      6.000     6.000     0.000 peak  2727 weight  0.10000E+01 volume  0.13500E+00 ppm1      1.276 ppm2      5.152
 ASSI { 2720}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD12")
      5.000     5.000     0.000 peak  2720 weight  0.10000E+01 volume  0.14690E+01 ppm1      1.280 ppm2      0.844
 OR { 2720}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD13")
 OR { 2720}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HD11")
 ASSI { 2939}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "20  " and name "HA  ")
      6.000     6.000     0.000 peak  2939 weight  0.10000E+01 volume  0.12400E+00 ppm1      3.801 ppm2      4.414
 OR { 2939}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "57  " and name "HA  ")
 OR { 2939}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "60  " and name "HA  ")
 ASSI { 2923}
     (segid "    " and resid "19  " and name "HD1 ")
     (segid "    " and resid "20  " and name "HN  ")
      5.000     5.000     0.000 peak  2923 weight  0.10000E+01 volume  0.69800E+00 ppm1      3.981 ppm2      7.057
 ASSI { 2932}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "19  " and name "HG2 ")
      3.300     3.300     0.000 peak  2932 weight  0.10000E+01 volume  0.29040E+01 ppm1      3.796 ppm2      2.050
 OR { 2932}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "19  " and name "HB2 ")
 ASSI { 2935}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "1   " and name "HE3 ")
      5.000     5.000     0.000 peak  2935 weight  0.10000E+01 volume  0.10800E+01 ppm1      3.796 ppm2      1.683
 OR { 2935}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 2935}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 2935}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "18  " and name "HB2 ")
 ASSI { 2921}
     (segid "    " and resid "19  " and name "HD1 ")
     (segid "    " and resid "1   " and name "HE1 ")
      5.000     5.000     0.000 peak  2921 weight  0.10000E+01 volume  0.12120E+01 ppm1      3.980 ppm2      1.705
 OR { 2921}
     (segid "    " and resid "19  " and name "HD1 ")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 2921}
     (segid "    " and resid "19  " and name "HD1 ")
     (segid "    " and resid "18  " and name "HB2 ")
 OR { 2921}
     (segid "    " and resid "19  " and name "HD1 ")
     (segid "    " and resid "1   " and name "HE2 ")
 ASSI { 2929}
     (segid "    " and resid "19  " and name "HD1 ")
     (segid "    " and resid "21  " and name "HN  ")
      6.000     6.000     0.000 peak  2929 weight  0.10000E+01 volume  0.87000E-01 ppm1      3.974 ppm2      7.838
 ASSI { 2919}
     (segid "    " and resid "19  " and name "HD1 ")
     (segid "    " and resid "19  " and name "HG2 ")
      3.300     3.300     0.000 peak  2919 weight  0.10000E+01 volume  0.25760E+01 ppm1      3.980 ppm2      2.047
 OR { 2919}
     (segid "    " and resid "19  " and name "HD1 ")
     (segid "    " and resid "19  " and name "HB2 ")
 ASSI { 2938}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "18  " and name "HN  ")
      6.000     6.000     0.000 peak  2938 weight  0.10000E+01 volume  0.15500E+00 ppm1      3.797 ppm2      9.361
 ASSI { 2930}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "18  " and name "HA  ")
      2.700     2.700     0.000 peak  2930 weight  0.10000E+01 volume  0.37740E+01 ppm1      3.796 ppm2      4.835
 ASSI { 2927}
     (segid "    " and resid "19  " and name "HD1 ")
     (segid "    " and resid "20  " and name "HA  ")
      6.000     6.000     0.000 peak  2927 weight  0.10000E+01 volume  0.95000E-01 ppm1      3.969 ppm2      4.413
 OR { 2927}
     (segid "    " and resid "19  " and name "HD1 ")
     (segid "    " and resid "57  " and name "HA  ")
 ASSI { 2918}
     (segid "    " and resid "19  " and name "HD1 ")
     (segid "    " and resid "18  " and name "HA  ")
      3.300     3.300     0.000 peak  2918 weight  0.10000E+01 volume  0.27960E+01 ppm1      3.979 ppm2      4.835
 ASSI { 2936}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "20  " and name "HN  ")
      5.000     5.000     0.000 peak  2936 weight  0.10000E+01 volume  0.35100E+00 ppm1      3.796 ppm2      7.056
 ASSI { 2924}
     (segid "    " and resid "19  " and name "HD1 ")
     (segid "    " and resid "1   " and name "HG1 ")
      6.000     6.000     0.000 peak  2924 weight  0.10000E+01 volume  0.13100E+00 ppm1      3.980 ppm2      2.515
 ASSI { 2925}
     (segid "    " and resid "19  " and name "HD1 ")
     (segid "    " and resid "18  " and name "HN  ")
      6.000     6.000     0.000 peak  2925 weight  0.10000E+01 volume  0.13500E+00 ppm1      3.982 ppm2      9.356
 ASSI { 3980}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "39  " and name "HN  ")
      5.000     5.000     0.000 peak  3980 weight  0.10000E+01 volume  0.87400E+00 ppm1      3.730 ppm2      8.534
 OR { 3980}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "39  " and name "HN  ")
 ASSI { 3981}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "31  " and name "HE22")
      5.000     5.000     0.000 peak  3981 weight  0.10000E+01 volume  0.53900E+00 ppm1      3.735 ppm2      6.814
 OR { 3981}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "31  " and name "HE22")
 ASSI { 3985}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "41  " and name "HE21")
      6.000     6.000     0.000 peak  3985 weight  0.10000E+01 volume  0.16800E+00 ppm1      3.737 ppm2      6.685
 OR { 3985}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "41  " and name "HE21")
 ASSI { 3988}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "27  " and name "HB1 ")
      6.000     6.000     0.000 peak  3988 weight  0.10000E+01 volume  0.11100E+00 ppm1      3.733 ppm2      1.462
 OR { 3988}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 3988}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "27  " and name "HG2 ")
 OR { 3988}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "36  " and name "HB  ")
 OR { 3988}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "27  " and name "HG1 ")
 OR { 3988}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "27  " and name "HG2 ")
 OR { 3988}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "27  " and name "HG1 ")
 OR { 3988}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "36  " and name "HB  ")
 ASSI { 3974}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "37  " and name "HA  ")
      2.700     2.700     0.000 peak  3974 weight  0.10000E+01 volume  0.57760E+01 ppm1      3.730 ppm2      4.618
 OR { 3974}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "37  " and name "HA  ")
 ASSI { 3982}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "31  " and name "HE21")
      5.000     5.000     0.000 peak  3982 weight  0.10000E+01 volume  0.36300E+00 ppm1      3.733 ppm2      7.626
 OR { 3982}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "31  " and name "HE21")
 ASSI { 3978}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "37  " and name "HB1 ")
      3.300     3.300     0.000 peak  3978 weight  0.10000E+01 volume  0.26630E+01 ppm1      3.730 ppm2      2.418
 OR { 3978}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "37  " and name "HB1 ")
 OR { 3978}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "31  " and name "HB1 ")
 OR { 3978}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "31  " and name "HB1 ")
 ASSI { 3989}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "31  " and name "HN  ")
      6.000     6.000     0.000 peak  3989 weight  0.10000E+01 volume  0.13800E+00 ppm1      3.742 ppm2      8.644
 OR { 3989}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "31  " and name "HN  ")
 ASSI { 3987}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "41  " and name "HE22")
      6.000     6.000     0.000 peak  3987 weight  0.10000E+01 volume  0.16900E+00 ppm1      3.736 ppm2      6.438
 OR { 3987}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "41  " and name "HE22")
 ASSI { 3990}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "40  " and name "HN  ")
      6.000     6.000     0.000 peak  3990 weight  0.10000E+01 volume  0.71000E-01 ppm1      3.723 ppm2      7.911
 OR { 3990}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "40  " and name "HN  ")
 ASSI { 3916}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "41  " and name "HG2 ")
      6.000     6.000     0.000 peak  3916 weight  0.10000E+01 volume  0.80000E-01 ppm1      3.554 ppm2      1.668
 OR { 3916}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "71  " and name "HG  ")
 OR { 3916}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "71  " and name "HB1 ")
 OR { 3916}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "38  " and name "HG2 ")
 OR { 3916}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "27  " and name "HD1 ")
 ASSI { 3886}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "36  " and name "HG21")
      3.300     3.300     0.000 peak  3886 weight  0.10000E+01 volume  0.15230E+01 ppm1      4.177 ppm2      0.931
 OR { 3886}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "36  " and name "HG23")
 OR { 3886}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "36  " and name "HG22")
 ASSI { 3906}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "40  " and name "HG1 ")
      3.300     3.300     0.000 peak  3906 weight  0.10000E+01 volume  0.15010E+01 ppm1      3.555 ppm2      2.400
 OR { 3906}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "37  " and name "HB1 ")
 OR { 3906}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "40  " and name "HG2 ")
 ASSI { 3909}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "36  " and name "HD13")
      5.000     5.000     0.000 peak  3909 weight  0.10000E+01 volume  0.34400E+00 ppm1      3.557 ppm2      0.813
 OR { 3909}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 3909}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 3909}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 3909}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 3909}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "69  " and name "HD13")
 ASSI { 3908}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "36  " and name "HB  ")
      5.000     5.000     0.000 peak  3908 weight  0.10000E+01 volume  0.49100E+00 ppm1      3.554 ppm2      1.414
 OR { 3908}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "36  " and name "HG11")
 ASSI { 3914}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "40  " and name "HE21")
      6.000     6.000     0.000 peak  3914 weight  0.10000E+01 volume  0.12100E+00 ppm1      3.556 ppm2      7.659
 OR { 3914}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "31  " and name "HE21")
 ASSI { 3889}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "40  " and name "HB2 ")
      5.000     5.000     0.000 peak  3889 weight  0.10000E+01 volume  0.46800E+00 ppm1      4.177 ppm2      1.785
 ASSI { 3902}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "36  " and name "HA  ")
      2.700     2.700     0.000 peak  3902 weight  0.10000E+01 volume  0.56740E+01 ppm1      3.556 ppm2      4.459
 ASSI { 3913}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "40  " and name "HN  ")
      6.000     6.000     0.000 peak  3913 weight  0.10000E+01 volume  0.15700E+00 ppm1      3.558 ppm2      7.912
 ASSI { 2017}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "40  " and name "HE22")
      6.000     6.000     0.000 peak  2017 weight  0.10000E+01 volume  0.82000E-01 ppm1      4.184 ppm2      6.782
 OR { 2017}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "31  " and name "HE22")
 ASSI { 3894}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "36  " and name "HN  ")
      6.000     6.000     0.000 peak  3894 weight  0.10000E+01 volume  0.22600E+00 ppm1      4.174 ppm2      6.195
 ASSI { 3911}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "36  " and name "HN  ")
      6.000     6.000     0.000 peak  3911 weight  0.10000E+01 volume  0.13100E+00 ppm1      3.556 ppm2      6.203
 ASSI { 3892}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "36  " and name "HG12")
      6.000     6.000     0.000 peak  3892 weight  0.10000E+01 volume  0.28500E+00 ppm1      4.180 ppm2      1.110
 ASSI { 3910}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "36  " and name "HG12")
      5.000     5.000     0.000 peak  3910 weight  0.10000E+01 volume  0.35600E+00 ppm1      3.556 ppm2      1.115
 ASSI { 3890}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "36  " and name "HB  ")
      5.000     5.000     0.000 peak  3890 weight  0.10000E+01 volume  0.43300E+00 ppm1      4.178 ppm2      1.429
 OR { 3890}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "36  " and name "HG11")
 ASSI { 3893}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "36  " and name "HD11")
      6.000     6.000     0.000 peak  3893 weight  0.10000E+01 volume  0.25700E+00 ppm1      4.176 ppm2      0.826
 OR { 3893}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 3893}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 3893}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 3893}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 3893}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "69  " and name "HD13")
 ASSI { 3915}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "40  " and name "HE22")
      6.000     6.000     0.000 peak  3915 weight  0.10000E+01 volume  0.16000E+00 ppm1      3.554 ppm2      6.773
 OR { 3915}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "31  " and name "HE22")
 ASSI { 4379}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "47  " and name "HN  ")
      3.300     3.300     0.000 peak  4379 weight  0.10000E+01 volume  0.25650E+01 ppm1      3.700 ppm2      8.078
 ASSI { 8135}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "45  " and name "HD2 ")
      6.000     6.000     0.000 peak  8135 weight  0.10000E+01 volume  0.13900E+00 ppm1      3.704 ppm2      7.378
 OR { 8135}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "45  " and name "HD1 ")
 ASSI { 4381}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "45  " and name "HA  ")
      5.000     5.000     0.000 peak  4381 weight  0.10000E+01 volume  0.54000E+00 ppm1      3.701 ppm2      5.193
 ASSI { 4380}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "46  " and name "HN  ")
      3.300     3.300     0.000 peak  4380 weight  0.10000E+01 volume  0.24700E+01 ppm1      3.699 ppm2      9.023
 ASSI { 4382}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "47  " and name "HA2 ")
      6.000     6.000     0.000 peak  4382 weight  0.10000E+01 volume  0.23500E+00 ppm1      3.700 ppm2      3.455
 ASSI { 4164}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "44  " and name "HN  ")
      2.700     2.700     0.000 peak  4164 weight  0.10000E+01 volume  0.47750E+01 ppm1      5.285 ppm2      9.150
 ASSI { 4184}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "44  " and name "HB  ")
      5.000     5.000     0.000 peak  4184 weight  0.10000E+01 volume  0.43200E+00 ppm1      5.284 ppm2      1.805
 ASSI { 4185}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "42  " and name "HA  ")
      6.000     6.000     0.000 peak  4185 weight  0.10000E+01 volume  0.15300E+00 ppm1      5.290 ppm2      4.465
 ASSI { 4175}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD22")
      2.700     2.700     0.000 peak  4175 weight  0.10000E+01 volume  0.52300E+01 ppm1      5.284 ppm2      0.811
 OR { 4175}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 4175}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 4175}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 4175}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 4175}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG21")
 ASSI { 4183}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "44  " and name "HD11")
      5.000     5.000     0.000 peak  4183 weight  0.10000E+01 volume  0.73600E+00 ppm1      5.285 ppm2      0.675
 OR { 4183}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 4183}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 4183}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "5   " and name "HG13")
 OR { 4183}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "5   " and name "HG12")
 OR { 4183}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 4183}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 4183}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "5   " and name "HG11")
 OR { 4183}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 4183}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD22")
 OR { 4183}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD21")
 OR { 4183}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD23")
 OR { 4183}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 4183}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 4183}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG23")
 ASSI { 4181}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "43  " and name "HN  ")
      5.000     5.000     0.000 peak  4181 weight  0.10000E+01 volume  0.92500E+00 ppm1      5.284 ppm2      8.993
 ASSI { 4186}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG11")
      6.000     6.000     0.000 peak  4186 weight  0.10000E+01 volume  0.22500E+00 ppm1      5.291 ppm2      1.352
 OR { 4186}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "69  " and name "HG  ")
 ASSI { 4179}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "43  " and name "HB1 ")
      3.300     3.300     0.000 peak  4179 weight  0.10000E+01 volume  0.21140E+01 ppm1      5.286 ppm2      1.034
 ASSI { 2039}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "64  " and name "HN  ")
      5.000     5.000     0.000 peak  2039 weight  0.10000E+01 volume  0.53200E+00 ppm1      4.445 ppm2      9.113
 ASSI { 2038}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "3   " and name "HN  ")
      5.000     5.000     0.000 peak  2038 weight  0.10000E+01 volume  0.88900E+00 ppm1      4.446 ppm2      8.767
 ASSI { 2032}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "2   " and name "HB2 ")
      6.000     6.000     0.000 peak  2032 weight  0.10000E+01 volume  0.17200E+00 ppm1      4.446 ppm2      1.727
 OR { 2032}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "63  " and name "HD1 ")
 OR { 2032}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "67  " and name "HB  ")
 OR { 2032}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "15  " and name "HB  ")
 ASSI { 2037}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "4   " and name "HN  ")
      2.700     2.700     0.000 peak  2037 weight  0.10000E+01 volume  0.43850E+01 ppm1      4.446 ppm2      8.406
 ASSI { 4240}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "27  " and name "HE2 ")
      5.000     5.000     0.000 peak  4240 weight  0.10000E+01 volume  0.47900E+00 ppm1      0.798 ppm2      2.592
 OR { 4240}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "27  " and name "HE2 ")
 OR { 4240}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "27  " and name "HE2 ")
 ASSI { 5078}
     (segid "    " and resid "62  " and name "HA  ")
     (segid "    " and resid "62  " and name "HN  ")
      5.000     5.000     0.000 peak  5078 weight  0.10000E+01 volume  0.14120E+01 ppm1      4.600 ppm2      7.699
 ASSI { 5437}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG12")
      5.000     5.000     0.000 peak  5437 weight  0.10000E+01 volume  0.34200E+00 ppm1      5.080 ppm2      0.963
 OR { 5437}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG13")
 OR { 5437}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG11")
 OR { 5437}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "8   " and name "HD23")
 OR { 5437}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "8   " and name "HD22")
 OR { 5437}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "8   " and name "HD21")
 ASSI { 4950}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "60  " and name "HD21")
      5.000     5.000     0.000 peak  4950 weight  0.10000E+01 volume  0.40000E+00 ppm1      4.455 ppm2      7.493
 OR { 4950}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "59  " and name "HN  ")
 ASSI { 5434}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "69  " and name "HG  ")
      5.000     5.000     0.000 peak  5434 weight  0.10000E+01 volume  0.87000E+00 ppm1      5.086 ppm2      1.363
 ASSI { 4946}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "61  " and name "HN  ")
      3.300     3.300     0.000 peak  4946 weight  0.10000E+01 volume  0.23410E+01 ppm1      4.455 ppm2      6.816
 ASSI { 5428}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "70  " and name "HN  ")
      2.700     2.700     0.000 peak  5428 weight  0.10000E+01 volume  0.58950E+01 ppm1      5.088 ppm2      9.236
 ASSI { 4943}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "60  " and name "HN  ")
      2.700     2.700     0.000 peak  4943 weight  0.10000E+01 volume  0.50830E+01 ppm1      4.455 ppm2      8.155
 ASSI { 4944}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "60  " and name "HB1 ")
      3.300     3.300     0.000 peak  4944 weight  0.10000E+01 volume  0.19490E+01 ppm1      4.456 ppm2      2.832
 ASSI { 5438}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "70  " and name "HA  ")
      5.000     5.000     0.000 peak  5438 weight  0.10000E+01 volume  0.36200E+00 ppm1      5.087 ppm2      4.418
 ASSI { 5433}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "69  " and name "HN  ")
      5.000     5.000     0.000 peak  5433 weight  0.10000E+01 volume  0.81300E+00 ppm1      5.090 ppm2      8.333
 ASSI { 5435}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "44  " and name "HD12")
      5.000     5.000     0.000 peak  5435 weight  0.10000E+01 volume  0.87300E+00 ppm1      5.090 ppm2      0.686
 OR { 5435}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "5   " and name "HG13")
 OR { 5435}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "44  " and name "HD11")
 OR { 5435}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "5   " and name "HG12")
 OR { 5435}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "5   " and name "HG11")
 OR { 5435}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 5435}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "5   " and name "HG23")
 OR { 5435}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "5   " and name "HG22")
 OR { 5435}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "5   " and name "HG21")
 OR { 5435}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG21")
 OR { 5435}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG23")
 OR { 5435}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG22")
 OR { 5435}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 5435}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG23")
 ASSI { 8643}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "43  " and name "HG  ")
      6.000     6.000     0.000 peak  8643 weight  0.10000E+01 volume  0.22000E+00 ppm1      5.090 ppm2      1.513
 OR { 8643}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "42  " and name "HB2 ")
 OR { 8643}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "42  " and name "HG1 ")
 ASSI { 5429}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD11")
      2.700     2.700     0.000 peak  5429 weight  0.10000E+01 volume  0.49130E+01 ppm1      5.088 ppm2      0.825
 OR { 5429}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 5429}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 5429}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 5429}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 5429}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 5429}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG21")
 OR { 5429}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 5429}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG22")
 ASSI { 2164}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "6   " and name "HN  ")
      5.000     5.000     0.000 peak  2164 weight  0.10000E+01 volume  0.80500E+00 ppm1      5.240 ppm2      8.971
 ASSI { 2165}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "13  " and name "HN  ")
      5.000     5.000     0.000 peak  2165 weight  0.10000E+01 volume  0.52900E+00 ppm1      5.241 ppm2      9.684
 ASSI { 2170}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "5   " and name "HG13")
      5.000     5.000     0.000 peak  2170 weight  0.10000E+01 volume  0.34500E+00 ppm1      5.233 ppm2      0.681
 OR { 2170}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "5   " and name "HG11")
 OR { 2170}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "5   " and name "HG12")
 OR { 2170}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "5   " and name "HG22")
 OR { 2170}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "5   " and name "HG21")
 OR { 2170}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "5   " and name "HG23")
 ASSI { 1954}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "1   " and name "HG2 ")
      3.300     3.300     0.000 peak  1954 weight  0.10000E+01 volume  0.23570E+01 ppm1      4.085 ppm2      2.148
 OR { 1954}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "1   " and name "HB1 ")
 ASSI { 2131}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "2   " and name "HN  ")
      2.700     2.700     0.000 peak  2131 weight  0.10000E+01 volume  0.55780E+01 ppm1      4.084 ppm2      8.746
 ASSI { 2126}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "63  " and name "HD1 ")
      5.000     5.000     0.000 peak  2126 weight  0.10000E+01 volume  0.38200E+00 ppm1      4.083 ppm2      1.718
 OR { 2126}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "63  " and name "HD2 ")
 OR { 2126}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "2   " and name "HB2 ")
 OR { 2126}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 2126}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 2126}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "1   " and name "HE1 ")
 ASSI { 2127}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "63  " and name "HB2 ")
      5.000     5.000     0.000 peak  2127 weight  0.10000E+01 volume  0.61700E+00 ppm1      4.085 ppm2      1.859
 OR { 2127}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "2   " and name "HG2 ")
 OR { 2127}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "2   " and name "HB1 ")
 ASSI { 4376}
     (segid "    " and resid "48  " and name "HA  ")
     (segid "    " and resid "49  " and name "HN  ")
      2.700     2.700     0.000 peak  4376 weight  0.10000E+01 volume  0.42280E+01 ppm1      4.642 ppm2      8.639
 ASSI { 2159}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "7   " and name "HN  ")
      2.700     2.700     0.000 peak  2159 weight  0.10000E+01 volume  0.34670E+01 ppm1      5.212 ppm2      8.766
 ASSI { 2659}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "2   " and name "HA  ")
      5.000     5.000     0.000 peak  2659 weight  0.10000E+01 volume  0.12350E+01 ppm1      5.159 ppm2      4.651
 ASSI { 2664}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "17  " and name "HD21")
      5.000     5.000     0.000 peak  2664 weight  0.10000E+01 volume  0.54200E+00 ppm1      5.160 ppm2      0.714
 OR { 2664}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 2664}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "17  " and name "HD23")
 OR { 2664}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "3   " and name "HD23")
 OR { 2664}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "3   " and name "HD22")
 OR { 2664}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "3   " and name "HD21")
 OR { 2664}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 2664}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG13")
 OR { 2664}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG11")
 OR { 2664}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 2664}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 2664}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 2664}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 2664}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD12")
 ASSI { 2666}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG21")
      6.000     6.000     0.000 peak  2666 weight  0.10000E+01 volume  0.29200E+00 ppm1      5.160 ppm2      0.592
 OR { 2666}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG23")
 OR { 2666}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 2666}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 2666}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "3   " and name "HD11")
 OR { 2666}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "3   " and name "HD13")
 ASSI { 2621}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "17  " and name "HN  ")
      2.700     2.700     0.000 peak  2621 weight  0.10000E+01 volume  0.59410E+01 ppm1      5.160 ppm2      8.296
 ASSI { 2668}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "3   " and name "HG  ")
      6.000     6.000     0.000 peak  2668 weight  0.10000E+01 volume  0.24000E+00 ppm1      5.163 ppm2      1.398
 OR { 2668}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "3   " and name "HB2 ")
 ASSI { 2667}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "15  " and name "HA  ")
      5.000     5.000     0.000 peak  2667 weight  0.10000E+01 volume  0.34000E+00 ppm1      5.155 ppm2      4.550
 ASSI { 2660}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "16  " and name "HN  ")
      5.000     5.000     0.000 peak  2660 weight  0.10000E+01 volume  0.13740E+01 ppm1      5.161 ppm2      8.146
 ASSI { 8824}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD23")
      3.300     3.300     0.000 peak  8824 weight  0.10000E+01 volume  0.19810E+01 ppm1      4.385 ppm2      0.881
 OR { 8824}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD21")
 OR { 8824}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD22")
 OR { 8824}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD13")
 OR { 8824}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD11")
 ASSI { 8827}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "73  " and name "HB2 ")
      3.300     3.300     0.000 peak  8827 weight  0.10000E+01 volume  0.23300E+01 ppm1      4.385 ppm2      1.551
 ASSI { 8828}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "73  " and name "HG  ")
      3.300     3.300     0.000 peak  8828 weight  0.10000E+01 volume  0.23670E+01 ppm1      4.384 ppm2      1.629
 OR { 8828}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "73  " and name "HB1 ")
 ASSI { 8837}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "73  " and name "HN  ")
      5.000     5.000     0.000 peak  8837 weight  0.10000E+01 volume  0.98800E+00 ppm1      4.382 ppm2      8.342
 ASSI { 8836}
     (segid "    " and resid "73  " and name "HA  ")
     (segid "    " and resid "74  " and name "HN  ")
      3.300     3.300     0.000 peak  8836 weight  0.10000E+01 volume  0.22070E+01 ppm1      4.383 ppm2      8.438
 ASSI { 1998}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "15  " and name "HN  ")
      5.000     5.000     0.000 peak  1998 weight  0.10000E+01 volume  0.51700E+00 ppm1      5.604 ppm2      8.762
 OR { 1998}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "3   " and name "HN  ")
 ASSI { 1987}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "5   " and name "HG21")
      5.000     5.000     0.000 peak  1987 weight  0.10000E+01 volume  0.66300E+00 ppm1      5.606 ppm2      0.696
 OR { 1987}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "5   " and name "HG23")
 OR { 1987}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "5   " and name "HG22")
 OR { 1987}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 1987}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 1987}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "15  " and name "HG13")
 OR { 1987}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "15  " and name "HG11")
 OR { 1987}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 1987}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "5   " and name "HG13")
 OR { 1987}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "5   " and name "HG11")
 OR { 1987}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "5   " and name "HG12")
 ASSI { 1993}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "14  " and name "HA  ")
      3.300     3.300     0.000 peak  1993 weight  0.10000E+01 volume  0.28560E+01 ppm1      5.605 ppm2      5.163
 ASSI { 1996}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "4   " and name "HE2 ")
      5.000     5.000     0.000 peak  1996 weight  0.10000E+01 volume  0.32200E+00 ppm1      5.605 ppm2      7.228
 OR { 1996}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "4   " and name "HE1 ")
 OR { 1996}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "4   " and name "HZ  ")
 ASSI { 1997}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "4   " and name "HN  ")
      5.000     5.000     0.000 peak  1997 weight  0.10000E+01 volume  0.83900E+00 ppm1      5.606 ppm2      8.405
 ASSI { 1999}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "5   " and name "HN  ")
      2.700     2.700     0.000 peak  1999 weight  0.10000E+01 volume  0.49040E+01 ppm1      5.606 ppm2      9.223
 ASSI { 1989}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "5   " and name "HB  ")
      5.000     5.000     0.000 peak  1989 weight  0.10000E+01 volume  0.30100E+00 ppm1      5.605 ppm2      1.910
 OR { 1989}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "2   " and name "HB1 ")
 ASSI { 4492}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "51  " and name "HB2 ")
      5.000     5.000     0.000 peak  4492 weight  0.10000E+01 volume  0.45000E+00 ppm1      3.864 ppm2      1.919
 OR { 4492}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "49  " and name "HB1 ")
 OR { 4492}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "54  " and name "HG1 ")
 OR { 4492}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "49  " and name "HB2 ")
 ASSI { 4489}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "51  " and name "HG2 ")
      6.000     6.000     0.000 peak  4489 weight  0.10000E+01 volume  0.27700E+00 ppm1      3.858 ppm2      2.303
 OR { 4489}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 4489}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "54  " and name "HB1 ")
 ASSI { 2001}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "13  " and name "HN  ")
      6.000     6.000     0.000 peak  2001 weight  0.10000E+01 volume  0.17400E+00 ppm1      5.606 ppm2      9.689
 ASSI { 8983}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "15  " and name "HG23")
      6.000     6.000     0.000 peak  8983 weight  0.10000E+01 volume  0.16300E+00 ppm1      5.604 ppm2      0.569
 OR { 8983}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "15  " and name "HG21")
 OR { 8983}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 8983}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "3   " and name "HD11")
 ASSI { 4496}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "51  " and name "HB1 ")
      6.000     6.000     0.000 peak  4496 weight  0.10000E+01 volume  0.17700E+00 ppm1      3.851 ppm2      2.195
 OR { 4496}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "23  " and name "HB  ")
 ASSI { 8989}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "3   " and name "HA  ")
      6.000     6.000     0.000 peak  8989 weight  0.10000E+01 volume  0.14800E+00 ppm1      5.606 ppm2      4.447
 ASSI { 4494}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "49  " and name "HA  ")
      6.000     6.000     0.000 peak  4494 weight  0.10000E+01 volume  0.14100E+00 ppm1      3.863 ppm2      4.811
 ASSI { 3378}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "28  " and name "HN  ")
      3.300     3.300     0.000 peak  3378 weight  0.10000E+01 volume  0.21260E+01 ppm1      4.185 ppm2      8.136
 ASSI { 3383}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "38  " and name "HD1 ")
      5.000     5.000     0.000 peak  3383 weight  0.10000E+01 volume  0.34200E+00 ppm1      4.188 ppm2      3.750
 OR { 3383}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "31  " and name "HA  ")
 OR { 3383}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 4498}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "43  " and name "HB2 ")
      6.000     6.000     0.000 peak  4498 weight  0.10000E+01 volume  0.76000E-01 ppm1      3.862 ppm2      1.699
 OR { 4498}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "27  " and name "HD2 ")
 ASSI { 4485}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HG  ")
      3.300     3.300     0.000 peak  4485 weight  0.10000E+01 volume  0.19040E+01 ppm1      3.862 ppm2      1.019
 OR { 4485}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG22")
 OR { 4485}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 4485}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG23")
 ASSI { 3381}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "29  " and name "HN  ")
      5.000     5.000     0.000 peak  3381 weight  0.10000E+01 volume  0.47800E+00 ppm1      4.184 ppm2      7.863
 ASSI { 4484}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HN  ")
      5.000     5.000     0.000 peak  4484 weight  0.10000E+01 volume  0.11420E+01 ppm1      3.861 ppm2      8.611
 ASSI { 3380}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "31  " and name "HN  ")
      5.000     5.000     0.000 peak  3380 weight  0.10000E+01 volume  0.78900E+00 ppm1      4.184 ppm2      8.630
 ASSI { 4491}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "51  " and name "HA  ")
      6.000     6.000     0.000 peak  4491 weight  0.10000E+01 volume  0.20600E+00 ppm1      3.858 ppm2      4.543
 ASSI { 3384}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "25  " and name "HA  ")
      6.000     6.000     0.000 peak  3384 weight  0.10000E+01 volume  0.20000E+00 ppm1      4.181 ppm2      4.569
 ASSI { 4495}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "59  " and name "HD1 ")
      6.000     6.000     0.000 peak  4495 weight  0.10000E+01 volume  0.11300E+00 ppm1      3.864 ppm2      7.204
 OR { 4495}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "59  " and name "HD2 ")
 ASSI { 4497}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG12")
      6.000     6.000     0.000 peak  4497 weight  0.10000E+01 volume  0.19600E+00 ppm1      3.860 ppm2      0.705
 OR { 4497}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 4497}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 4497}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 4497}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 4497}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "44  " and name "HD11")
 OR { 4497}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 4497}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD21")
 OR { 4497}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 4497}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 4497}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD22")
 OR { 4497}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD23")
 ASSI { 4472}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "51  " and name "HN  ")
      2.700     2.700     0.000 peak  4472 weight  0.10000E+01 volume  0.46820E+01 ppm1      3.862 ppm2      8.209
 ASSI { 4482}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HB1 ")
      3.300     3.300     0.000 peak  4482 weight  0.10000E+01 volume  0.26210E+01 ppm1      3.862 ppm2      1.111
 ASSI { 3379}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "31  " and name "HB2 ")
      5.000     5.000     0.000 peak  3379 weight  0.10000E+01 volume  0.13020E+01 ppm1      4.183 ppm2      1.910
 OR { 3379}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "31  " and name "HG2 ")
 ASSI { 3382}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "38  " and name "HG1 ")
      5.000     5.000     0.000 peak  3382 weight  0.10000E+01 volume  0.69800E+00 ppm1      4.185 ppm2      2.210
 OR { 3382}
     (segid "    " and resid "28  " and name "HA  ")
     (segid "    " and resid "30  " and name "HB  ")
 ASSI { 4002}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "41  " and name "HN  ")
      5.000     5.000     0.000 peak  4002 weight  0.10000E+01 volume  0.95000E+00 ppm1      4.438 ppm2      7.367
 OR { 4002}
     (segid "    " and resid "39  " and name "HA  ")
     (segid "    " and resid "41  " and name "HN  ")
 ASSI { 4529}
     (segid "    " and resid "51  " and name "HA  ")
     (segid "    " and resid "52  " and name "HN  ")
      2.700     2.700     0.000 peak  4529 weight  0.10000E+01 volume  0.76290E+01 ppm1      4.548 ppm2      8.182
 OR { 4529}
     (segid "    " and resid "51  " and name "HA  ")
     (segid "    " and resid "51  " and name "HN  ")
 ASSI { 3991}
     (segid "    " and resid "42  " and name "HA  ")
     (segid "    " and resid "43  " and name "HN  ")
      2.700     2.700     0.000 peak  3991 weight  0.10000E+01 volume  0.60400E+01 ppm1      4.462 ppm2      8.975
 ASSI { 3995}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "40  " and name "HN  ")
      3.300     3.300     0.000 peak  3995 weight  0.10000E+01 volume  0.19280E+01 ppm1      4.439 ppm2      7.915
 OR { 3995}
     (segid "    " and resid "39  " and name "HA  ")
     (segid "    " and resid "40  " and name "HN  ")
 ASSI { 2238}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "6   " and name "HN  ")
      6.000     6.000     0.000 peak  2238 weight  0.10000E+01 volume  0.14800E+00 ppm1      1.562 ppm2      8.969
 OR { 2238}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "6   " and name "HN  ")
 ASSI { 2239}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "7   " and name "HN  ")
      6.000     6.000     0.000 peak  2239 weight  0.10000E+01 volume  0.14100E+00 ppm1      1.564 ppm2      8.757
 OR { 2239}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "7   " and name "HN  ")
 ASSI { 3992}
     (segid "    " and resid "39  " and name "HA  ")
     (segid "    " and resid "39  " and name "HB2 ")
      2.700     2.700     0.000 peak  3992 weight  0.10000E+01 volume  0.64600E+01 ppm1      4.421 ppm2      2.711
 OR { 3992}
     (segid "    " and resid "39  " and name "HA  ")
     (segid "    " and resid "39  " and name "HB1 ")
 ASSI { 3998}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "72  " and name "HN  ")
      3.300     3.300     0.000 peak  3998 weight  0.10000E+01 volume  0.25060E+01 ppm1      4.423 ppm2      8.534
 OR { 3998}
     (segid "    " and resid "39  " and name "HA  ")
     (segid "    " and resid "39  " and name "HN  ")
 OR { 3998}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "39  " and name "HN  ")
 OR { 3998}
     (segid "    " and resid "39  " and name "HA  ")
     (segid "    " and resid "72  " and name "HN  ")
 ASSI { 4978}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "45  " and name "HE1 ")
      5.000     5.000     0.000 peak  4978 weight  0.10000E+01 volume  0.46600E+00 ppm1      3.700 ppm2      7.529
 OR { 4978}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "45  " and name "HE2 ")
 OR { 4978}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "60  " and name "HD21")
 ASSI { 8772}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD23")
      6.000     6.000     0.000 peak  8772 weight  0.10000E+01 volume  0.23100E+00 ppm1      4.232 ppm2      0.879
 OR { 8772}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD22")
 OR { 8772}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD21")
 OR { 8772}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "71  " and name "HD23")
 OR { 8772}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "71  " and name "HD22")
 OR { 8772}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "71  " and name "HD21")
 OR { 8772}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG21")
 OR { 8772}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG23")
 OR { 8772}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG22")
 ASSI { 8773}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD12")
      5.000     5.000     0.000 peak  8773 weight  0.10000E+01 volume  0.34700E+00 ppm1      4.229 ppm2      0.964
 OR { 8773}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "71  " and name "HD13")
 OR { 8773}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "71  " and name "HD12")
 OR { 8773}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "71  " and name "HD11")
 OR { 8773}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG12")
 OR { 8773}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG13")
 OR { 8773}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD11")
 OR { 8773}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG11")
 OR { 8773}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "73  " and name "HD13")
 ASSI { 8774}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "42  " and name "HG2 ")
      6.000     6.000     0.000 peak  8774 weight  0.10000E+01 volume  0.91000E-01 ppm1      4.228 ppm2      1.303
 ASSI { 8778}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "72  " and name "HG2 ")
      2.700     2.700     0.000 peak  8778 weight  0.10000E+01 volume  0.45970E+01 ppm1      4.229 ppm2      1.522
 OR { 8778}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "72  " and name "HG1 ")
 OR { 8778}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "72  " and name "HB2 ")
 ASSI { 8784}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "42  " and name "HD1 ")
      5.000     5.000     0.000 peak  8784 weight  0.10000E+01 volume  0.95600E+00 ppm1      4.227 ppm2      3.105
 OR { 8784}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 8784}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "72  " and name "HD2 ")
 OR { 8784}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "72  " and name "HD1 ")
 ASSI { 8786}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "71  " and name "HA  ")
      6.000     6.000     0.000 peak  8786 weight  0.10000E+01 volume  0.99000E-01 ppm1      4.226 ppm2      4.861
 ASSI { 8800}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "73  " and name "HN  ")
      2.700     2.700     0.000 peak  8800 weight  0.10000E+01 volume  0.42540E+01 ppm1      4.229 ppm2      8.355
 ASSI { 8801}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "72  " and name "HN  ")
      5.000     5.000     0.000 peak  8801 weight  0.10000E+01 volume  0.11730E+01 ppm1      4.229 ppm2      8.550
 ASSI { 4976}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "45  " and name "HZ  ")
      5.000     5.000     0.000 peak  4976 weight  0.10000E+01 volume  0.38900E+00 ppm1      3.702 ppm2      7.442
 OR { 4976}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 4976}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "45  " and name "HD2 ")
 ASSI { 4981}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "3   " and name "HD21")
      6.000     6.000     0.000 peak  4981 weight  0.10000E+01 volume  0.14700E+00 ppm1      3.701 ppm2      0.724
 OR { 4981}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "3   " and name "HD22")
 OR { 4981}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "3   " and name "HD23")
 OR { 4981}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 4981}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD13")
 ASSI { 3178}
     (segid "    " and resid "25  " and name "HA  ")
     (segid "    " and resid "25  " and name "HD22")
      5.000     5.000     0.000 peak  3178 weight  0.10000E+01 volume  0.46800E+00 ppm1      4.567 ppm2      6.891
 ASSI { 4971}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HN  ")
      5.000     5.000     0.000 peak  4971 weight  0.10000E+01 volume  0.11830E+01 ppm1      3.700 ppm2      6.814
 ASSI { 4966}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "62  " and name "HN  ")
      2.700     2.700     0.000 peak  4966 weight  0.10000E+01 volume  0.53790E+01 ppm1      3.700 ppm2      7.699
 ASSI { 4342}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG21")
      5.000     5.000     0.000 peak  4342 weight  0.10000E+01 volume  0.72400E+00 ppm1      5.191 ppm2      0.794
 OR { 4342}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 4342}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 4342}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "46  " and name "HB3 ")
 OR { 4342}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "46  " and name "HB1 ")
 OR { 4342}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "46  " and name "HB2 ")
 ASSI { 4346}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "68  " and name "HD2 ")
      6.000     6.000     0.000 peak  4346 weight  0.10000E+01 volume  0.78000E-01 ppm1      5.190 ppm2      7.073
 ASSI { 4339}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG21")
      5.000     5.000     0.000 peak  4339 weight  0.10000E+01 volume  0.77500E+00 ppm1      5.190 ppm2      0.678
 OR { 4339}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 4339}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 4339}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 4339}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 4339}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 4339}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "44  " and name "HD13")
 ASSI { 4338}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "45  " and name "HN  ")
      5.000     5.000     0.000 peak  4338 weight  0.10000E+01 volume  0.78500E+00 ppm1      5.191 ppm2      9.153
 ASSI { 4979}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "62  " and name "HB2 ")
      6.000     6.000     0.000 peak  4979 weight  0.10000E+01 volume  0.12300E+00 ppm1      3.699 ppm2      1.831
 ASSI { 4341}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "47  " and name "HN  ")
      5.000     5.000     0.000 peak  4341 weight  0.10000E+01 volume  0.30800E+00 ppm1      5.185 ppm2      8.076
 OR { 4341}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "48  " and name "HN  ")
 ASSI { 4983}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "62  " and name "HA  ")
      6.000     6.000     0.000 peak  4983 weight  0.10000E+01 volume  0.12900E+00 ppm1      3.705 ppm2      4.596
 OR { 4983}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "65  " and name "HA  ")
 ASSI { 4343}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "68  " and name "HN  ")
      6.000     6.000     0.000 peak  4343 weight  0.10000E+01 volume  0.21300E+00 ppm1      5.191 ppm2      9.342
 ASSI { 4618}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "23  " and name "HA  ")
      6.000     6.000     0.000 peak  4618 weight  0.10000E+01 volume  0.72000E-01 ppm1      4.273 ppm2      3.385
 ASSI { 4344}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "67  " and name "HA  ")
      5.000     5.000     0.000 peak  4344 weight  0.10000E+01 volume  0.44600E+00 ppm1      5.190 ppm2      4.619
 ASSI { 4332}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "46  " and name "HN  ")
      3.300     3.300     0.000 peak  4332 weight  0.10000E+01 volume  0.19700E+01 ppm1      5.189 ppm2      9.023
 ASSI { 4611}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "23  " and name "HB  ")
      2.700     2.700     0.000 peak  4611 weight  0.10000E+01 volume  0.31140E+01 ppm1      4.272 ppm2      2.194
 ASSI { 4349}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "44  " and name "HA  ")
      6.000     6.000     0.000 peak  4349 weight  0.10000E+01 volume  0.96000E-01 ppm1      5.195 ppm2      4.860
 OR { 4349}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 4333}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "45  " and name "HD2 ")
      2.700     2.700     0.000 peak  4333 weight  0.10000E+01 volume  0.31660E+01 ppm1      5.191 ppm2      7.408
 OR { 4333}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "45  " and name "HD1 ")
 ASSI { 4625}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "24  " and name "HG2 ")
      5.000     5.000     0.000 peak  4625 weight  0.10000E+01 volume  0.56500E+00 ppm1      4.272 ppm2      2.326
 OR { 4625}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 4625}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "54  " and name "HB1 ")
 ASSI { 2395}
     (segid "    " and resid "11  " and name "HA  ")
     (segid "    " and resid "12  " and name "HA  ")
      6.000     6.000     0.000 peak  2395 weight  0.10000E+01 volume  0.18600E+00 ppm1      4.354 ppm2      5.092
 ASSI { 2389}
     (segid "    " and resid "11  " and name "HA  ")
     (segid "    " and resid "11  " and name "HN  ")
      5.000     5.000     0.000 peak  2389 weight  0.10000E+01 volume  0.10090E+01 ppm1      4.352 ppm2      7.282
 ASSI { 1946}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "24  " and name "HN  ")
      5.000     5.000     0.000 peak  1946 weight  0.10000E+01 volume  0.45300E+00 ppm1      4.275 ppm2     10.180
 ASSI { 2362}
     (segid "    " and resid "11  " and name "HA  ")
     (segid "    " and resid "12  " and name "HN  ")
      2.700     2.700     0.000 peak  2362 weight  0.10000E+01 volume  0.46840E+01 ppm1      4.352 ppm2      8.612
 ASSI { 4626}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "24  " and name "HA  ")
      5.000     5.000     0.000 peak  4626 weight  0.10000E+01 volume  0.33500E+00 ppm1      4.276 ppm2      3.886
 OR { 4626}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "53  " and name "HA2 ")
 ASSI { 2173}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "53  " and name "HN  ")
      2.700     2.700     0.000 peak  2173 weight  0.10000E+01 volume  0.38190E+01 ppm1      4.271 ppm2      9.987
 ASSI { 4614}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "52  " and name "HN  ")
      5.000     5.000     0.000 peak  4614 weight  0.10000E+01 volume  0.14490E+01 ppm1      4.273 ppm2      8.180
 ASSI { 4623}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "54  " and name "HN  ")
      5.000     5.000     0.000 peak  4623 weight  0.10000E+01 volume  0.55500E+00 ppm1      4.271 ppm2      7.492
 ASSI { 5378}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "6   " and name "HN  ")
      5.000     5.000     0.000 peak  5378 weight  0.10000E+01 volume  0.13010E+01 ppm1      5.003 ppm2      8.969
 ASSI { 5382}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "6   " and name "HG1 ")
      5.000     5.000     0.000 peak  5382 weight  0.10000E+01 volume  0.78100E+00 ppm1      5.004 ppm2      1.383
 ASSI { 4060}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG1 ")
      5.000     5.000     0.000 peak  4060 weight  0.10000E+01 volume  0.11100E+01 ppm1      4.134 ppm2      2.515
 ASSI { 4062}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG23")
      5.000     5.000     0.000 peak  4062 weight  0.10000E+01 volume  0.92000E+00 ppm1      4.132 ppm2      0.937
 OR { 4062}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 4062}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 4062}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "71  " and name "HD13")
 OR { 4062}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "71  " and name "HD11")
 ASSI { 5376}
     (segid "    " and resid "68  " and name "HA  ")
     (segid "    " and resid "69  " and name "HN  ")
      2.700     2.700     0.000 peak  5376 weight  0.10000E+01 volume  0.62480E+01 ppm1      5.005 ppm2      8.335
 ASSI { 4061}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "41  " and name "HN  ")
      5.000     5.000     0.000 peak  4061 weight  0.10000E+01 volume  0.87500E+00 ppm1      4.132 ppm2      7.370
 ASSI { 4059}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "41  " and name "HB2 ")
      2.700     2.700     0.000 peak  4059 weight  0.10000E+01 volume  0.30560E+01 ppm1      4.134 ppm2      1.879
 OR { 4059}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "41  " and name "HB1 ")
 ASSI { 4068}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "40  " and name "HN  ")
      6.000     6.000     0.000 peak  4068 weight  0.10000E+01 volume  0.66000E-01 ppm1      4.130 ppm2      7.913
 ASSI { 4063}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "42  " and name "HA  ")
      5.000     5.000     0.000 peak  4063 weight  0.10000E+01 volume  0.51900E+00 ppm1      4.138 ppm2      4.442
 OR { 4063}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "40  " and name "HA  ")
 OR { 4063}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "70  " and name "HA  ")
 ASSI { 4069}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD21")
      5.000     5.000     0.000 peak  4069 weight  0.10000E+01 volume  0.48700E+00 ppm1      4.134 ppm2      0.729
 OR { 4069}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD23")
 OR { 4069}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD22")
 OR { 4069}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "5   " and name "HG11")
 ASSI { 4058}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG2 ")
      3.300     3.300     0.000 peak  4058 weight  0.10000E+01 volume  0.22780E+01 ppm1      4.135 ppm2      1.641
 ASSI { 4049}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "42  " and name "HN  ")
      2.700     2.700     0.000 peak  4049 weight  0.10000E+01 volume  0.48250E+01 ppm1      4.133 ppm2      8.472
 ASSI { 8880}
     (segid "    " and resid "74  " and name "HA  ")
     (segid "    " and resid "74  " and name "HB2 ")
      3.300     3.300     0.000 peak  8880 weight  0.10000E+01 volume  0.15830E+01 ppm1      4.287 ppm2      1.780
 ASSI { 8887}
     (segid "    " and resid "74  " and name "HA  ")
     (segid "    " and resid "75  " and name "HN  ")
      5.000     5.000     0.000 peak  8887 weight  0.10000E+01 volume  0.71200E+00 ppm1      4.288 ppm2      8.446
 OR { 8887}
     (segid "    " and resid "74  " and name "HA  ")
     (segid "    " and resid "74  " and name "HN  ")
 ASSI { 4057}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD13")
      3.300     3.300     0.000 peak  4057 weight  0.10000E+01 volume  0.28930E+01 ppm1      4.133 ppm2      0.845
 OR { 4057}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 4057}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 4057}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 4057}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "71  " and name "HD23")
 OR { 4057}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 4057}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "71  " and name "HD21")
 OR { 4057}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "71  " and name "HD22")
 OR { 4057}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "36  " and name "HD12")
 ASSI { 4064}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "42  " and name "HB2 ")
      5.000     5.000     0.000 peak  4064 weight  0.10000E+01 volume  0.66200E+00 ppm1      4.132 ppm2      1.503
 OR { 4064}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "43  " and name "HG  ")
 OR { 4064}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "42  " and name "HG1 ")
 OR { 4064}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "72  " and name "HG2 ")
 OR { 4064}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "72  " and name "HB2 ")
 OR { 4064}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "72  " and name "HG1 ")
 OR { 4064}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "27  " and name "HB1 ")
 ASSI { 4067}
     (segid "    " and resid "41  " and name "HA  ")
     (segid "    " and resid "70  " and name "HN  ")
      6.000     6.000     0.000 peak  4067 weight  0.10000E+01 volume  0.11400E+00 ppm1      4.131 ppm2      9.233
 ASSI { 4730}
     (segid "    " and resid "58  " and name "HA  ")
     (segid "    " and resid "58  " and name "HB1 ")
      2.700     2.700     0.000 peak  4730 weight  0.10000E+01 volume  0.39660E+01 ppm1      4.336 ppm2      2.259
 ASSI { 4873}
     (segid "    " and resid "58  " and name "HA  ")
     (segid "    " and resid "58  " and name "HN  ")
      3.300     3.300     0.000 peak  4873 weight  0.10000E+01 volume  0.15710E+01 ppm1      4.337 ppm2      7.857
 ASSI { 4874}
     (segid "    " and resid "58  " and name "HA  ")
     (segid "    " and resid "59  " and name "HN  ")
      5.000     5.000     0.000 peak  4874 weight  0.10000E+01 volume  0.45500E+00 ppm1      4.339 ppm2      7.495
 ASSI { 2283}
     (segid "    " and resid "32  " and name "HA  ")
     (segid "    " and resid "35  " and name "HN  ")
      6.000     6.000     0.000 peak  2283 weight  0.10000E+01 volume  0.23100E+00 ppm1      4.332 ppm2      8.496
 ASSI { 3787}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "37  " and name "HG1 ")
      5.000     5.000     0.000 peak  3787 weight  0.10000E+01 volume  0.79700E+00 ppm1      4.456 ppm2      2.066
 OR { 3787}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "37  " and name "HG2 ")
 ASSI { 2277}
     (segid "    " and resid "32  " and name "HA  ")
     (segid "    " and resid "32  " and name "HN  ")
      3.300     3.300     0.000 peak  2277 weight  0.10000E+01 volume  0.24820E+01 ppm1      4.318 ppm2      8.086
 ASSI { 3789}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "19  " and name "HB1 ")
      6.000     6.000     0.000 peak  3789 weight  0.10000E+01 volume  0.13400E+00 ppm1      4.457 ppm2      2.405
 OR { 3789}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "37  " and name "HB1 ")
 OR { 3789}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "40  " and name "HG1 ")
 OR { 3789}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "31  " and name "HB1 ")
 OR { 3789}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "31  " and name "HB1 ")
 OR { 3789}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "37  " and name "HB1 ")
 OR { 3789}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "19  " and name "HB1 ")
 OR { 3789}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "40  " and name "HG1 ")
 ASSI { 2284}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "9   " and name "HN  ")
      6.000     6.000     0.000 peak  2284 weight  0.10000E+01 volume  0.21800E+00 ppm1      4.310 ppm2      7.650
 ASSI { 3791}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG11")
      3.300     3.300     0.000 peak  3791 weight  0.10000E+01 volume  0.19950E+01 ppm1      4.457 ppm2      1.425
 OR { 3791}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "36  " and name "HB  ")
 ASSI { 3782}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "36  " and name "HN  ")
      5.000     5.000     0.000 peak  3782 weight  0.10000E+01 volume  0.12700E+01 ppm1      4.455 ppm2      6.194
 ASSI { 2279}
     (segid "    " and resid "33  " and name "HA  ")
     (segid "    " and resid "33  " and name "HG2 ")
      2.700     2.700     0.000 peak  2279 weight  0.10000E+01 volume  0.46810E+01 ppm1      4.345 ppm2      1.649
 OR { 2279}
     (segid "    " and resid "33  " and name "HA  ")
     (segid "    " and resid "33  " and name "HG1 ")
 ASSI { 2280}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HN  ")
      5.000     5.000     0.000 peak  2280 weight  0.10000E+01 volume  0.83900E+00 ppm1      4.308 ppm2      9.067
 ASSI { 2271}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HD23")
      2.700     2.700     0.000 peak  2271 weight  0.10000E+01 volume  0.37090E+01 ppm1      4.308 ppm2      1.005
 OR { 2271}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HD21")
 OR { 2271}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HD22")
 OR { 2271}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HD13")
 OR { 2271}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HD12")
 ASSI { 3788}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "31  " and name "HG2 ")
      6.000     6.000     0.000 peak  3788 weight  0.10000E+01 volume  0.24600E+00 ppm1      4.457 ppm2      1.937
 OR { 3788}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "37  " and name "HB2 ")
 OR { 3788}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "31  " and name "HB2 ")
 ASSI { 2950}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "34  " and name "HG1 ")
      6.000     6.000     0.000 peak  2950 weight  0.10000E+01 volume  0.12100E+00 ppm1      4.414 ppm2      2.201
 OR { 2950}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "18  " and name "HB1 ")
 OR { 2950}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "19  " and name "HG1 ")
 OR { 2950}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 2950}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 2950}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 2950}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "18  " and name "HB1 ")
 OR { 2950}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "19  " and name "HG1 ")
 ASSI { 2947}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "57  " and name "HN  ")
      5.000     5.000     0.000 peak  2947 weight  0.10000E+01 volume  0.32800E+00 ppm1      4.413 ppm2      8.702
 OR { 2947}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "56  " and name "HN  ")
 OR { 2947}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "34  " and name "HN  ")
 OR { 2947}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "56  " and name "HN  ")
 OR { 2947}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "34  " and name "HN  ")
 OR { 2947}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "57  " and name "HN  ")
 ASSI { 2946}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "21  " and name "HN  ")
      5.000     5.000     0.000 peak  2946 weight  0.10000E+01 volume  0.71300E+00 ppm1      4.414 ppm2      7.840
 ASSI { 3669}
     (segid "    " and resid "33  " and name "HA  ")
     (segid "    " and resid "34  " and name "HN  ")
      5.000     5.000     0.000 peak  3669 weight  0.10000E+01 volume  0.61400E+00 ppm1      4.343 ppm2      8.679
 OR { 3669}
     (segid "    " and resid "32  " and name "HA  ")
     (segid "    " and resid "34  " and name "HN  ")
 ASSI { 2944}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "20  " and name "HN  ")
      5.000     5.000     0.000 peak  2944 weight  0.10000E+01 volume  0.13860E+01 ppm1      4.416 ppm2      7.063
 ASSI { 2949}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "57  " and name "HB2 ")
      6.000     6.000     0.000 peak  2949 weight  0.10000E+01 volume  0.18800E+00 ppm1      4.422 ppm2      3.941
 OR { 2949}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "35  " and name "HA2 ")
 OR { 2949}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "19  " and name "HD1 ")
 OR { 2949}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "19  " and name "HD1 ")
 OR { 2949}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "35  " and name "HA2 ")
 OR { 2949}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "57  " and name "HB2 ")
 ASSI { 3668}
     (segid "    " and resid "33  " and name "HA  ")
     (segid "    " and resid "33  " and name "HN  ")
      3.300     3.300     0.000 peak  3668 weight  0.10000E+01 volume  0.21350E+01 ppm1      4.343 ppm2      7.348
 ASSI { 5117}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "1   " and name "HG1 ")
      6.000     6.000     0.000 peak  5117 weight  0.10000E+01 volume  0.26600E+00 ppm1      4.031 ppm2      2.497
 OR { 5117}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "64  " and name "HB1 ")
 ASSI { 5112}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "63  " and name "HD2 ")
      5.000     5.000     0.000 peak  5112 weight  0.10000E+01 volume  0.62200E+00 ppm1      4.031 ppm2      1.701
 OR { 5112}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "63  " and name "HD1 ")
 OR { 5112}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 5112}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 5112}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "1   " and name "HE1 ")
 ASSI { 5105}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "64  " and name "HN  ")
      2.700     2.700     0.000 peak  5105 weight  0.10000E+01 volume  0.59210E+01 ppm1      4.032 ppm2      9.121
 ASSI { 1964}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "2   " and name "HN  ")
      5.000     5.000     0.000 peak  1964 weight  0.10000E+01 volume  0.36600E+00 ppm1      4.033 ppm2      8.754
 ASSI { 5114}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "65  " and name "HN  ")
      5.000     5.000     0.000 peak  5114 weight  0.10000E+01 volume  0.49000E+00 ppm1      4.031 ppm2      7.927
 ASSI { 5110}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "1   " and name "HG2 ")
      5.000     5.000     0.000 peak  5110 weight  0.10000E+01 volume  0.14870E+01 ppm1      4.031 ppm2      2.157
 OR { 5110}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "1   " and name "HB1 ")
 OR { 5110}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "64  " and name "HG1 ")
 ASSI { 5111}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "64  " and name "HA  ")
      5.000     5.000     0.000 peak  5111 weight  0.10000E+01 volume  0.82400E+00 ppm1      4.032 ppm2      3.309
 ASSI { 5116}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "3   " and name "HA  ")
      6.000     6.000     0.000 peak  5116 weight  0.10000E+01 volume  0.19800E+00 ppm1      4.025 ppm2      4.437
 ASSI { 5109}
     (segid "    " and resid "63  " and name "HA  ")
     (segid "    " and resid "63  " and name "HN  ")
      3.300     3.300     0.000 peak  5109 weight  0.10000E+01 volume  0.15380E+01 ppm1      4.032 ppm2      8.418
 ASSI { 5166}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "4   " and name "HN  ")
      6.000     6.000     0.000 peak  5166 weight  0.10000E+01 volume  0.19800E+00 ppm1      3.310 ppm2      8.400
 ASSI { 2397}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "63  " and name "HB1 ")
      6.000     6.000     0.000 peak  2397 weight  0.10000E+01 volume  0.21900E+00 ppm1      3.317 ppm2      1.966
 OR { 2397}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "1   " and name "HB2 ")
 ASSI { 2683}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "64  " and name "HB1 ")
      3.300     3.300     0.000 peak  2683 weight  0.10000E+01 volume  0.24460E+01 ppm1      3.316 ppm2      2.410
 OR { 2683}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "64  " and name "HB2 ")
 ASSI { 2229}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "3   " and name "HA  ")
      3.300     3.300     0.000 peak  2229 weight  0.10000E+01 volume  0.26140E+01 ppm1      3.316 ppm2      4.435
 ASSI { 2544}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "4   " and name "HD2 ")
      5.000     5.000     0.000 peak  2544 weight  0.10000E+01 volume  0.40100E+00 ppm1      3.315 ppm2      7.114
 OR { 2544}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "4   " and name "HD1 ")
 ASSI { 2160}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "4   " and name "HE2 ")
      5.000     5.000     0.000 peak  2160 weight  0.10000E+01 volume  0.91300E+00 ppm1      3.316 ppm2      7.246
 OR { 2160}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "4   " and name "HE1 ")
 OR { 2160}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "4   " and name "HZ  ")
 ASSI { 2217}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "65  " and name "HN  ")
      5.000     5.000     0.000 peak  2217 weight  0.10000E+01 volume  0.92500E+00 ppm1      3.315 ppm2      7.926
 ASSI { 2227}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "64  " and name "HN  ")
      2.700     2.700     0.000 peak  2227 weight  0.10000E+01 volume  0.44990E+01 ppm1      3.316 ppm2      9.121
 ASSI { 4900}
     (segid "    " and resid "59  " and name "HA  ")
     (segid "    " and resid "60  " and name "HN  ")
      5.000     5.000     0.000 peak  4900 weight  0.10000E+01 volume  0.76800E+00 ppm1      4.535 ppm2      8.155
 ASSI { 4876}
     (segid "    " and resid "59  " and name "HA  ")
     (segid "    " and resid "59  " and name "HD1 ")
      2.700     2.700     0.000 peak  4876 weight  0.10000E+01 volume  0.30450E+01 ppm1      4.537 ppm2      7.220
 OR { 4876}
     (segid "    " and resid "59  " and name "HA  ")
     (segid "    " and resid "59  " and name "HD2 ")
 ASSI { 4904}
     (segid "    " and resid "59  " and name "HA  ")
     (segid "    " and resid "60  " and name "HD21")
      3.300     3.300     0.000 peak  4904 weight  0.10000E+01 volume  0.15460E+01 ppm1      4.535 ppm2      7.495
 OR { 4904}
     (segid "    " and resid "59  " and name "HA  ")
     (segid "    " and resid "59  " and name "HN  ")
 ASSI { 4757}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "59  " and name "HN  ")
      6.000     6.000     0.000 peak  4757 weight  0.10000E+01 volume  0.29300E+00 ppm1      4.093 ppm2      7.493
 ASSI { 4753}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD13")
      5.000     5.000     0.000 peak  4753 weight  0.10000E+01 volume  0.96900E+00 ppm1      4.093 ppm2      0.694
 OR { 4753}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 4753}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 4753}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD23")
 OR { 4753}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD22")
 ASSI { 4760}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "61  " and name "HG  ")
      6.000     6.000     0.000 peak  4760 weight  0.10000E+01 volume  0.19400E+00 ppm1      4.097 ppm2      1.148
 OR { 4760}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "50  " and name "HB1 ")
 ASSI { 4745}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD22")
      2.700     2.700     0.000 peak  4745 weight  0.10000E+01 volume  0.52170E+01 ppm1      4.092 ppm2      0.555
 OR { 4745}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 4745}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 4745}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 4745}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD12")
 ASSI { 4751}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HN  ")
      5.000     5.000     0.000 peak  4751 weight  0.10000E+01 volume  0.12610E+01 ppm1      4.092 ppm2      8.665
 OR { 4751}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "57  " and name "HN  ")
 ASSI { 3411}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG13")
      5.000     5.000     0.000 peak  3411 weight  0.10000E+01 volume  0.42100E+00 ppm1      4.229 ppm2      0.723
 OR { 3411}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG11")
 OR { 3411}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 3411}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG12")
 OR { 3411}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 3411}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 3411}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 3411}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "17  " and name "HD23")
 OR { 3411}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD12")
 ASSI { 3414}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "31  " and name "HN  ")
      6.000     6.000     0.000 peak  3414 weight  0.10000E+01 volume  0.12000E+00 ppm1      4.230 ppm2      8.650
 ASSI { 4749}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "59  " and name "HD2 ")
      3.300     3.300     0.000 peak  4749 weight  0.10000E+01 volume  0.16230E+01 ppm1      4.093 ppm2      7.213
 OR { 4749}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "59  " and name "HD1 ")
 ASSI { 3220}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "28  " and name "HN  ")
      6.000     6.000     0.000 peak  3220 weight  0.10000E+01 volume  0.22500E+00 ppm1      4.007 ppm2      8.123
 OR { 3220}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "30  " and name "HN  ")
 ASSI { 4756}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG22")
      5.000     5.000     0.000 peak  4756 weight  0.10000E+01 volume  0.50500E+00 ppm1      4.095 ppm2      1.007
 OR { 4756}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 4756}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "61  " and name "HB1 ")
 OR { 4756}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG21")
 ASSI { 4759}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "58  " and name "HN  ")
      6.000     6.000     0.000 peak  4759 weight  0.10000E+01 volume  0.21300E+00 ppm1      4.094 ppm2      7.858
 ASSI { 3217}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "29  " and name "HG2 ")
      5.000     5.000     0.000 peak  3217 weight  0.10000E+01 volume  0.82200E+00 ppm1      4.009 ppm2      1.616
 OR { 3217}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "29  " and name "HD2 ")
 OR { 3217}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "28  " and name "HB2 ")
 ASSI { 3221}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "23  " and name "HA  ")
      6.000     6.000     0.000 peak  3221 weight  0.10000E+01 volume  0.18700E+00 ppm1      4.016 ppm2      3.388
 ASSI { 4755}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "59  " and name "HE2 ")
      6.000     6.000     0.000 peak  4755 weight  0.10000E+01 volume  0.27400E+00 ppm1      4.093 ppm2      6.837
 OR { 4755}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 4755}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "61  " and name "HN  ")
 ASSI { 2079}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD11")
      2.700     2.700     0.000 peak  2079 weight  0.10000E+01 volume  0.69240E+01 ppm1      4.015 ppm2      0.751
 OR { 2079}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 2079}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 2079}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "17  " and name "HD23")
 OR { 2079}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "17  " and name "HD21")
 OR { 2079}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD12")
 ASSI { 3416}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "30  " and name "HA  ")
      6.000     6.000     0.000 peak  3416 weight  0.10000E+01 volume  0.53000E-01 ppm1      4.231 ppm2      3.440
 ASSI { 3210}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "26  " and name "HN  ")
      5.000     5.000     0.000 peak  3210 weight  0.10000E+01 volume  0.13110E+01 ppm1      4.013 ppm2      7.736
 ASSI { 3409}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "32  " and name "HB1 ")
      3.300     3.300     0.000 peak  3409 weight  0.10000E+01 volume  0.17150E+01 ppm1      4.230 ppm2      2.876
 ASSI { 2358}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "32  " and name "HN  ")
      3.300     3.300     0.000 peak  2358 weight  0.10000E+01 volume  0.15960E+01 ppm1      4.230 ppm2      8.098
 OR { 2358}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "30  " and name "HN  ")
 ASSI { 3218}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "29  " and name "HG1 ")
      5.000     5.000     0.000 peak  3218 weight  0.10000E+01 volume  0.68500E+00 ppm1      4.015 ppm2      1.707
 OR { 3218}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "17  " and name "HG  ")
 ASSI { 3214}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "29  " and name "HN  ")
      5.000     5.000     0.000 peak  3214 weight  0.10000E+01 volume  0.50400E+00 ppm1      4.012 ppm2      7.862
 ASSI { 3223}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "29  " and name "HE1 ")
      6.000     6.000     0.000 peak  3223 weight  0.10000E+01 volume  0.80000E-01 ppm1      4.013 ppm2      3.141
 OR { 3223}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "25  " and name "HB2 ")
 ASSI { 3412}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "33  " and name "HN  ")
      6.000     6.000     0.000 peak  3412 weight  0.10000E+01 volume  0.18300E+00 ppm1      4.231 ppm2      7.362
 ASSI { 3407}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "29  " and name "HB2 ")
      3.300     3.300     0.000 peak  3407 weight  0.10000E+01 volume  0.24350E+01 ppm1      4.229 ppm2      2.139
 ASSI { 3216}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "27  " and name "HN  ")
      5.000     5.000     0.000 peak  3216 weight  0.10000E+01 volume  0.36000E+00 ppm1      4.016 ppm2      8.549
 ASSI { 3406}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "29  " and name "HN  ")
      3.300     3.300     0.000 peak  3406 weight  0.10000E+01 volume  0.18520E+01 ppm1      4.231 ppm2      7.862
 ASSI { 2823}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "41  " and name "HE22")
      6.000     6.000     0.000 peak  2823 weight  0.10000E+01 volume  0.20400E+00 ppm1      4.640 ppm2      6.414
 ASSI { 3299}
     (segid "    " and resid "27  " and name "HA  ")
     (segid "    " and resid "41  " and name "HE21")
      5.000     5.000     0.000 peak  3299 weight  0.10000E+01 volume  0.55900E+00 ppm1      4.645 ppm2      6.707
 ASSI { 2597}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "16  " and name "HA  ")
      5.000     5.000     0.000 peak  2597 weight  0.10000E+01 volume  0.32600E+00 ppm1      4.556 ppm2      5.176
 OR { 2597}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "14  " and name "HA  ")
 ASSI { 2583}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "16  " and name "HN  ")
      2.700     2.700     0.000 peak  2583 weight  0.10000E+01 volume  0.62260E+01 ppm1      4.557 ppm2      8.150
 ASSI { 2594}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "15  " and name "HN  ")
      5.000     5.000     0.000 peak  2594 weight  0.10000E+01 volume  0.11010E+01 ppm1      4.557 ppm2      8.761
 ASSI { 2740}
     (segid "    " and resid "67  " and name "HA  ")
     (segid "    " and resid "68  " and name "HN  ")
      5.000     5.000     0.000 peak  2740 weight  0.10000E+01 volume  0.13450E+01 ppm1      4.624 ppm2      9.352
 OR { 2740}
     (segid "    " and resid "67  " and name "HA  ")
     (segid "    " and resid "67  " and name "HN  ")
 ASSI { 5279}
     (segid "    " and resid "67  " and name "HA  ")
     (segid "    " and resid "45  " and name "HD2 ")
      6.000     6.000     0.000 peak  5279 weight  0.10000E+01 volume  0.19900E+00 ppm1      4.631 ppm2      7.393
 OR { 5279}
     (segid "    " and resid "67  " and name "HA  ")
     (segid "    " and resid "45  " and name "HD1 ")
 ASSI { 3726}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HN  ")
      6.000     6.000     0.000 peak  3726 weight  0.10000E+01 volume -0.90000E-02 ppm1      2.145 ppm2      7.359
 ASSI { 5271}
     (segid "    " and resid "67  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG22")
      5.000     5.000     0.000 peak  5271 weight  0.10000E+01 volume -0.10480E+01 ppm1      4.625 ppm2      0.831
 OR { 5271}
     (segid "    " and resid "67  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 5271}
     (segid "    " and resid "67  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG23")
 ASSI { 3598}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "32  " and name "HA  ")
      6.000     6.000     0.000 peak  3598 weight  0.10000E+01 volume  0.80000E-01 ppm1      3.772 ppm2      4.305
 OR { 3598}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "33  " and name "HA  ")
 ASSI { 3591}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "33  " and name "HN  ")
      6.000     6.000     0.000 peak  3591 weight  0.10000E+01 volume  0.97000E-01 ppm1      3.781 ppm2      7.358
 ASSI { 3585}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "36  " and name "HB  ")
      5.000     5.000     0.000 peak  3585 weight  0.10000E+01 volume  0.35000E+00 ppm1      3.779 ppm2      1.430
 OR { 3585}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG11")
 ASSI { 3587}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "35  " and name "HA1 ")
      6.000     6.000     0.000 peak  3587 weight  0.10000E+01 volume  0.24100E+00 ppm1      3.777 ppm2      4.173
 OR { 3587}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "37  " and name "HD1 ")
 OR { 3587}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "28  " and name "HA  ")
 ASSI { 3579}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "35  " and name "HN  ")
      5.000     5.000     0.000 peak  3579 weight  0.10000E+01 volume  0.88700E+00 ppm1      3.781 ppm2      8.498
 ASSI { 3574}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "31  " and name "HB2 ")
      2.700     2.700     0.000 peak  3574 weight  0.10000E+01 volume  0.33080E+01 ppm1      3.781 ppm2      1.924
 OR { 3574}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "31  " and name "HG2 ")
 ASSI { 3594}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "37  " and name "HA  ")
      6.000     6.000     0.000 peak  3594 weight  0.10000E+01 volume  0.11700E+00 ppm1      3.780 ppm2      4.623
 OR { 3594}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "34  " and name "HA  ")
 OR { 3594}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "27  " and name "HA  ")
 ASSI { 3588}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "41  " and name "HE22")
      6.000     6.000     0.000 peak  3588 weight  0.10000E+01 volume  0.22100E+00 ppm1      3.783 ppm2      6.435
 ASSI { 3589}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "41  " and name "HE21")
      6.000     6.000     0.000 peak  3589 weight  0.10000E+01 volume  0.22700E+00 ppm1      3.783 ppm2      6.695
 ASSI { 3593}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "36  " and name "HD11")
      6.000     6.000     0.000 peak  3593 weight  0.10000E+01 volume  0.14700E+00 ppm1      3.778 ppm2      0.816
 OR { 3593}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 3593}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 3593}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 3593}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 3593}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 3593}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 3593}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 3593}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 3593}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 3593}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 3593}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "13  " and name "HD23")
 ASSI { 3581}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "31  " and name "HN  ")
      5.000     5.000     0.000 peak  3581 weight  0.10000E+01 volume  0.11980E+01 ppm1      3.780 ppm2      8.634
 OR { 3581}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "34  " and name "HN  ")
 ASSI { 3595}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "31  " and name "HE21")
      6.000     6.000     0.000 peak  3595 weight  0.10000E+01 volume  0.93000E-01 ppm1      3.780 ppm2      7.627
 ASSI { 3590}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG21")
      6.000     6.000     0.000 peak  3590 weight  0.10000E+01 volume  0.16900E+00 ppm1      3.777 ppm2      0.932
 OR { 3590}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG23")
 OR { 3590}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG22")
 ASSI { 3583}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "32  " and name "HN  ")
      5.000     5.000     0.000 peak  3583 weight  0.10000E+01 volume  0.45700E+00 ppm1      3.779 ppm2      8.094
 OR { 3583}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "30  " and name "HN  ")
 ASSI { 3577}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "36  " and name "HN  ")
      3.300     3.300     0.000 peak  3577 weight  0.10000E+01 volume  0.21820E+01 ppm1      3.782 ppm2      6.195
 ASSI { 3596}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "38  " and name "HG2 ")
      6.000     6.000     0.000 peak  3596 weight  0.10000E+01 volume  0.21800E+00 ppm1      3.782 ppm2      1.644
 OR { 3596}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG2 ")
 OR { 3596}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "33  " and name "HG2 ")
 OR { 3596}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "33  " and name "HD2 ")
 OR { 3596}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "33  " and name "HG1 ")
 OR { 3596}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "28  " and name "HB1 ")
 OR { 3596}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "28  " and name "HB3 ")
 OR { 3596}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "28  " and name "HB2 ")
 OR { 3596}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "27  " and name "HD1 ")
 OR { 3596}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "27  " and name "HD2 ")
 OR { 3596}
     (segid "    " and resid "31  " and name "HA  ")
     (segid "    " and resid "29  " and name "HG2 ")
 ASSI { 1948}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "5   " and name "HN  ")
      5.000     5.000     0.000 peak  1948 weight  0.10000E+01 volume  0.91500E+00 ppm1      5.002 ppm2      9.212
 ASSI { 1947}
     (segid "    " and resid "5   " and name "HA  ")
     (segid "    " and resid "67  " and name "HN  ")
      5.000     5.000     0.000 peak  1947 weight  0.10000E+01 volume  0.10110E+01 ppm1      5.004 ppm2      9.340
 ASSI { 4836}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "71  " and name "HN  ")
      2.700     2.700     0.000 peak  4836 weight  0.10000E+01 volume  0.51350E+01 ppm1      4.412 ppm2      8.071
 ASSI { 4842}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG23")
      3.300     3.300     0.000 peak  4842 weight  0.10000E+01 volume  0.17960E+01 ppm1      4.410 ppm2      0.828
 OR { 4842}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 4842}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG21")
 ASSI { 4843}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "70  " and name "HN  ")
      5.000     5.000     0.000 peak  4843 weight  0.10000E+01 volume  0.12310E+01 ppm1      4.410 ppm2      9.235
 ASSI { 4840}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "8   " and name "HD21")
      3.300     3.300     0.000 peak  4840 weight  0.10000E+01 volume  0.29100E+01 ppm1      4.412 ppm2      0.950
 OR { 4840}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG12")
 OR { 4840}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG11")
 OR { 4840}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "70  " and name "HG13")
 ASSI { 8672}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "8   " and name "HD12")
      5.000     5.000     0.000 peak  8672 weight  0.10000E+01 volume  0.77300E+00 ppm1      4.412 ppm2      1.053
 OR { 8672}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "8   " and name "HD11")
 OR { 8672}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "8   " and name "HD13")
 OR { 8672}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "69  " and name "HB2 ")
 ASSI { 2058}
     (segid "    " and resid "57  " and name "HA  ")
     (segid "    " and resid "61  " and name "HB2 ")
      5.000     5.000     0.000 peak  2058 weight  0.10000E+01 volume  0.34200E+00 ppm1      4.411 ppm2      1.373
 OR { 2058}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "69  " and name "HG  ")
 OR { 2058}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "61  " and name "HB2 ")
 OR { 2058}
     (segid "    " and resid "57  " and name "HA  ")
     (segid "    " and resid "69  " and name "HG  ")
 ASSI { 4853}
     (segid "    " and resid "57  " and name "HA  ")
     (segid "    " and resid "19  " and name "HB1 ")
      5.000     5.000     0.000 peak  4853 weight  0.10000E+01 volume  0.34000E+00 ppm1      4.391 ppm2      2.380
 ASSI { 4854}
     (segid "    " and resid "57  " and name "HA  ")
     (segid "    " and resid "19  " and name "HA  ")
      6.000     6.000     0.000 peak  4854 weight  0.10000E+01 volume  0.23200E+00 ppm1      4.387 ppm2      4.091
 OR { 4854}
     (segid "    " and resid "57  " and name "HA  ")
     (segid "    " and resid "56  " and name "HA  ")
 ASSI { 4847}
     (segid "    " and resid "57  " and name "HA  ")
     (segid "    " and resid "59  " and name "HN  ")
      5.000     5.000     0.000 peak  4847 weight  0.10000E+01 volume  0.30300E+00 ppm1      4.391 ppm2      7.496
 ASSI { 2617}
     (segid "    " and resid "57  " and name "HA  ")
     (segid "    " and resid "61  " and name "HN  ")
      5.000     5.000     0.000 peak  2617 weight  0.10000E+01 volume  0.61000E+00 ppm1      4.390 ppm2      6.822
 ASSI { 4844}
     (segid "    " and resid "57  " and name "HA  ")
     (segid "    " and resid "57  " and name "HN  ")
      5.000     5.000     0.000 peak  4844 weight  0.10000E+01 volume  0.14370E+01 ppm1      4.391 ppm2      8.709
 ASSI { 5193}
     (segid "    " and resid "65  " and name "HA  ")
     (segid "    " and resid "66  " and name "HN  ")
      2.700     2.700     0.000 peak  5193 weight  0.10000E+01 volume  0.43270E+01 ppm1      4.588 ppm2      8.651
 ASSI { 3128}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "24  " and name "HN  ")
      5.000     5.000     0.000 peak  3128 weight  0.10000E+01 volume  0.12800E+01 ppm1      3.857 ppm2     10.178
 ASSI { 5195}
     (segid "    " and resid "65  " and name "HA  ")
     (segid "    " and resid "65  " and name "HN  ")
      5.000     5.000     0.000 peak  5195 weight  0.10000E+01 volume  0.12160E+01 ppm1      4.589 ppm2      7.933
 ASSI { 3131}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "27  " and name "HD2 ")
      5.000     5.000     0.000 peak  3131 weight  0.10000E+01 volume  0.14920E+01 ppm1      3.858 ppm2      1.676
 OR { 3131}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "27  " and name "HD1 ")
 OR { 3131}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "38  " and name "HG2 ")
 ASSI { 3141}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "23  " and name "HA  ")
      6.000     6.000     0.000 peak  3141 weight  0.10000E+01 volume  0.77000E-01 ppm1      3.854 ppm2      3.385
 ASSI { 3138}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "26  " and name "HN  ")
      6.000     6.000     0.000 peak  3138 weight  0.10000E+01 volume  0.12900E+00 ppm1      3.857 ppm2      7.758
 ASSI { 3134}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "25  " and name "HN  ")
      5.000     5.000     0.000 peak  3134 weight  0.10000E+01 volume  0.37100E+00 ppm1      3.859 ppm2      7.966
 ASSI { 3144}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG21")
      6.000     6.000     0.000 peak  3144 weight  0.10000E+01 volume  0.70000E-01 ppm1      3.855 ppm2      1.015
 OR { 3144}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 3144}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG22")
 ASSI { 3137}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "23  " and name "HB  ")
      5.000     5.000     0.000 peak  3137 weight  0.10000E+01 volume  0.42600E+00 ppm1      3.854 ppm2      2.181
 OR { 3137}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "38  " and name "HG1 ")
 ASSI { 3139}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "52  " and name "HA  ")
      6.000     6.000     0.000 peak  3139 weight  0.10000E+01 volume  0.29500E+00 ppm1      3.858 ppm2      4.284
 ASSI { 3135}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "28  " and name "HN  ")
      6.000     6.000     0.000 peak  3135 weight  0.10000E+01 volume  0.20600E+00 ppm1      3.854 ppm2      8.132
 ASSI { 3142}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "27  " and name "HE1 ")
      6.000     6.000     0.000 peak  3142 weight  0.10000E+01 volume  0.85000E-01 ppm1      3.848 ppm2      2.728
 OR { 3142}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "21  " and name "HB1 ")
 ASSI { 3133}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG11")
      5.000     5.000     0.000 peak  3133 weight  0.10000E+01 volume  0.54600E+00 ppm1      3.857 ppm2      0.726
 OR { 3133}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 3133}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG12")
 ASSI { 3140}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "52  " and name "HB1 ")
      6.000     6.000     0.000 peak  3140 weight  0.10000E+01 volume  0.24500E+00 ppm1      3.856 ppm2      2.613
 OR { 3140}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "27  " and name "HE2 ")
 ASSI { 3130}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "27  " and name "HN  ")
      5.000     5.000     0.000 peak  3130 weight  0.10000E+01 volume  0.71600E+00 ppm1      3.856 ppm2      8.550
 ASSI { 2552}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG13")
      5.000     5.000     0.000 peak  2552 weight  0.10000E+01 volume  0.42600E+00 ppm1      5.185 ppm2      0.702
 OR { 2552}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 2552}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "5   " and name "HG23")
 OR { 2552}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG11")
 OR { 2552}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "5   " and name "HG21")
 OR { 2552}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "5   " and name "HG22")
 OR { 2552}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "5   " and name "HG12")
 OR { 2552}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "5   " and name "HG11")
 OR { 2552}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "5   " and name "HG13")
 ASSI { 3132}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "27  " and name "HG2 ")
      5.000     5.000     0.000 peak  3132 weight  0.10000E+01 volume  0.13190E+01 ppm1      3.858 ppm2      1.454
 OR { 3132}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "27  " and name "HB1 ")
 ASSI { 2556}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "13  " and name "HG  ")
      6.000     6.000     0.000 peak  2556 weight  0.10000E+01 volume  0.17900E+00 ppm1      5.182 ppm2      1.723
 OR { 2556}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "13  " and name "HB1 ")
 OR { 2556}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "2   " and name "HB2 ")
 ASSI { 2546}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "14  " and name "HN  ")
      5.000     5.000     0.000 peak  2546 weight  0.10000E+01 volume  0.10790E+01 ppm1      5.181 ppm2      8.570
 ASSI { 2549}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "5   " and name "HN  ")
      5.000     5.000     0.000 peak  2549 weight  0.10000E+01 volume  0.48600E+00 ppm1      5.185 ppm2      9.228
 ASSI { 2555}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "4   " and name "HE2 ")
      6.000     6.000     0.000 peak  2555 weight  0.10000E+01 volume  0.14700E+00 ppm1      5.187 ppm2      7.234
 OR { 2555}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "4   " and name "HE1 ")
 OR { 2555}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "4   " and name "HZ  ")
 ASSI { 2551}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "13  " and name "HD11")
      6.000     6.000     0.000 peak  2551 weight  0.10000E+01 volume  0.28200E+00 ppm1      5.187 ppm2      0.823
 OR { 2551}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 2551}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 2551}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 2551}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 2551}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 2551}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD11")
 ASSI { 2548}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "4   " and name "HD1 ")
      5.000     5.000     0.000 peak  2548 weight  0.10000E+01 volume  0.71000E+00 ppm1      5.182 ppm2      7.100
 OR { 2548}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "4   " and name "HD2 ")
 ASSI { 2557}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "15  " and name "HA  ")
      6.000     6.000     0.000 peak  2557 weight  0.10000E+01 volume  0.13600E+00 ppm1      5.181 ppm2      4.569
 ASSI { 2547}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "14  " and name "HB  ")
      5.000     5.000     0.000 peak  2547 weight  0.10000E+01 volume  0.11670E+01 ppm1      5.185 ppm2      4.001
 ASSI { 2554}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "4   " and name "HB1 ")
      6.000     6.000     0.000 peak  2554 weight  0.10000E+01 volume  0.11100E+00 ppm1      5.185 ppm2      2.800
 ASSI { 2550}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG21")
      5.000     5.000     0.000 peak  2550 weight  0.10000E+01 volume  0.40200E+00 ppm1      5.185 ppm2      0.571
 OR { 2550}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG23")
 OR { 2550}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG22")
 ASSI { 2530}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "15  " and name "HN  ")
      2.700     2.700     0.000 peak  2530 weight  0.10000E+01 volume  0.65180E+01 ppm1      5.185 ppm2      8.761
 ASSI { 2445}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "6   " and name "HB2 ")
      5.000     5.000     0.000 peak  2445 weight  0.10000E+01 volume  0.78800E+00 ppm1      5.086 ppm2      1.673
 OR { 2445}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "13  " and name "HG  ")
 OR { 2445}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "13  " and name "HB1 ")
 OR { 2445}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "11  " and name "HB2 ")
 ASSI { 2443}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "12  " and name "HN  ")
      5.000     5.000     0.000 peak  2443 weight  0.10000E+01 volume  0.63600E+00 ppm1      5.089 ppm2      8.605
 ASSI { 2446}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "6   " and name "HB1 ")
      5.000     5.000     0.000 peak  2446 weight  0.10000E+01 volume  0.36500E+00 ppm1      5.084 ppm2      1.413
 ASSI { 2447}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "13  " and name "HB2 ")
      5.000     5.000     0.000 peak  2447 weight  0.10000E+01 volume  0.43000E+00 ppm1      5.088 ppm2      1.536
 OR { 2447}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "6   " and name "HD2 ")
 OR { 2447}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "6   " and name "HD1 ")
 ASSI { 2246}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "13  " and name "HN  ")
      2.700     2.700     0.000 peak  2246 weight  0.10000E+01 volume  0.65240E+01 ppm1      5.087 ppm2      9.687
 ASSI { 2444}
     (segid "    " and resid "12  " and name "HA  ")
     (segid "    " and resid "7   " and name "HN  ")
      5.000     5.000     0.000 peak  2444 weight  0.10000E+01 volume  0.82100E+00 ppm1      5.087 ppm2      8.763
 ASSI { 5246}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "3   " and name "HA  ")
      6.000     6.000     0.000 peak  5246 weight  0.10000E+01 volume  0.62000E-01 ppm1      5.247 ppm2      4.447
 ASSI { 5245}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "4   " and name "HA  ")
      6.000     6.000     0.000 peak  5245 weight  0.10000E+01 volume  0.15900E+00 ppm1      5.245 ppm2      5.600
 ASSI { 5243}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "12  " and name "HG23")
      5.000     5.000     0.000 peak  5243 weight  0.10000E+01 volume  0.33600E+00 ppm1      5.242 ppm2      1.083
 OR { 5243}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 5243}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 5243}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "43  " and name "HB1 ")
 ASSI { 5238}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "67  " and name "HB  ")
      5.000     5.000     0.000 peak  5238 weight  0.10000E+01 volume  0.38400E+00 ppm1      5.242 ppm2      1.732
 ASSI { 5236}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "66  " and name "HB  ")
      5.000     5.000     0.000 peak  5236 weight  0.10000E+01 volume  0.65800E+00 ppm1      5.244 ppm2      4.086
 ASSI { 4861}
     (segid "    " and resid "57  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HB1 ")
      5.000     5.000     0.000 peak  4861 weight  0.10000E+01 volume  0.58500E+00 ppm1      3.940 ppm2      2.375
 ASSI { 5235}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "4   " and name "HN  ")
      5.000     5.000     0.000 peak  5235 weight  0.10000E+01 volume  0.87400E+00 ppm1      5.242 ppm2      8.402
 ASSI { 4870}
     (segid "    " and resid "57  " and name "HB1 ")
     (segid "    " and resid "58  " and name "HN  ")
      6.000     6.000     0.000 peak  4870 weight  0.10000E+01 volume  0.23100E+00 ppm1      3.785 ppm2      7.858
 ASSI { 4867}
     (segid "    " and resid "57  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HB2 ")
      5.000     5.000     0.000 peak  4867 weight  0.10000E+01 volume  0.93100E+00 ppm1      3.784 ppm2      2.033
 OR { 4867}
     (segid "    " and resid "57  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HB2 ")
 ASSI { 5237}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "66  " and name "HN  ")
      5.000     5.000     0.000 peak  5237 weight  0.10000E+01 volume  0.68000E+00 ppm1      5.245 ppm2      8.653
 ASSI { 5248}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "4   " and name "HB1 ")
      5.000     5.000     0.000 peak  5248 weight  0.10000E+01 volume  0.98900E+00 ppm1      5.243 ppm2      2.807
 ASSI { 4868}
     (segid "    " and resid "57  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HB1 ")
      5.000     5.000     0.000 peak  4868 weight  0.10000E+01 volume  0.83300E+00 ppm1      3.784 ppm2      2.376
 ASSI { 5242}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG11")
      6.000     6.000     0.000 peak  5242 weight  0.10000E+01 volume  0.25500E+00 ppm1      5.242 ppm2      1.426
 OR { 5242}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "6   " and name "HG1 ")
 OR { 5242}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "3   " and name "HB2 ")
 ASSI { 5244}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "65  " and name "HA  ")
      6.000     6.000     0.000 peak  5244 weight  0.10000E+01 volume  0.23400E+00 ppm1      5.240 ppm2      4.614
 OR { 5244}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "67  " and name "HA  ")
 ASSI { 4866}
     (segid "    " and resid "57  " and name "HB1 ")
     (segid "    " and resid "57  " and name "HN  ")
      3.300     3.300     0.000 peak  4866 weight  0.10000E+01 volume  0.18270E+01 ppm1      3.782 ppm2      8.713
 ASSI { 4862}
     (segid "    " and resid "57  " and name "HB2 ")
     (segid "    " and resid "58  " and name "HN  ")
      6.000     6.000     0.000 peak  4862 weight  0.10000E+01 volume  0.29300E+00 ppm1      3.939 ppm2      7.859
 ASSI { 5240}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "4   " and name "HD1 ")
      6.000     6.000     0.000 peak  5240 weight  0.10000E+01 volume  0.25800E+00 ppm1      5.243 ppm2      7.100
 OR { 5240}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "4   " and name "HD2 ")
 OR { 5240}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "68  " and name "HD2 ")
 ASSI { 8568}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "3   " and name "HD21")
      6.000     6.000     0.000 peak  8568 weight  0.10000E+01 volume  0.12800E+00 ppm1      5.240 ppm2      0.767
 OR { 8568}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "3   " and name "HD22")
 OR { 8568}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "3   " and name "HD23")
 OR { 8568}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "46  " and name "HB1 ")
 OR { 8568}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "46  " and name "HB3 ")
 OR { 8568}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 8568}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 8568}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "46  " and name "HB2 ")
 OR { 8568}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 8568}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 8568}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 8568}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD12")
 OR { 8568}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 8568}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 8568}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 8568}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 8568}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG11")
 OR { 8568}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG13")
 OR { 8568}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD21")
 OR { 8568}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD22")
 ASSI { 4872}
     (segid "    " and resid "57  " and name "HB1 ")
     (segid "    " and resid "55  " and name "HB  ")
      6.000     6.000     0.000 peak  4872 weight  0.10000E+01 volume  0.25700E+00 ppm1      3.791 ppm2      4.579
 ASSI { 4856}
     (segid "    " and resid "57  " and name "HB2 ")
     (segid "    " and resid "57  " and name "HN  ")
      5.000     5.000     0.000 peak  4856 weight  0.10000E+01 volume  0.14510E+01 ppm1      3.938 ppm2      8.713
 ASSI { 4863}
     (segid "    " and resid "57  " and name "HB2 ")
     (segid "    " and resid "55  " and name "HB  ")
      5.000     5.000     0.000 peak  4863 weight  0.10000E+01 volume  0.33600E+00 ppm1      3.938 ppm2      4.563
 ASSI { 4860}
     (segid "    " and resid "57  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HB2 ")
      5.000     5.000     0.000 peak  4860 weight  0.10000E+01 volume  0.70200E+00 ppm1      3.939 ppm2      2.025
 OR { 4860}
     (segid "    " and resid "57  " and name "HB2 ")
     (segid "    " and resid "56  " and name "HB2 ")
 ASSI { 5241}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "5   " and name "HA  ")
      6.000     6.000     0.000 peak  5241 weight  0.10000E+01 volume  0.29400E+00 ppm1      5.243 ppm2      4.998
 OR { 5241}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "68  " and name "HA  ")
 ASSI { 5239}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "67  " and name "HD13")
      6.000     6.000     0.000 peak  5239 weight  0.10000E+01 volume  0.26300E+00 ppm1      5.243 ppm2      0.672
 OR { 5239}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 5239}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 5239}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "5   " and name "HG21")
 OR { 5239}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "5   " and name "HG23")
 OR { 5239}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "5   " and name "HG22")
 OR { 5239}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "5   " and name "HG13")
 OR { 5239}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "5   " and name "HG11")
 ASSI { 4871}
     (segid "    " and resid "57  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HG1 ")
      6.000     6.000     0.000 peak  4871 weight  0.10000E+01 volume  0.25800E+00 ppm1      3.779 ppm2      2.204
 OR { 4871}
     (segid "    " and resid "57  " and name "HB1 ")
     (segid "    " and resid "18  " and name "HB1 ")
 ASSI { 4864}
     (segid "    " and resid "57  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HG1 ")
      6.000     6.000     0.000 peak  4864 weight  0.10000E+01 volume  0.10800E+00 ppm1      3.941 ppm2      2.207
 OR { 4864}
     (segid "    " and resid "57  " and name "HB2 ")
     (segid "    " and resid "18  " and name "HB1 ")
 ASSI { 5232}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "67  " and name "HN  ")
      2.700     2.700     0.000 peak  5232 weight  0.10000E+01 volume  0.55690E+01 ppm1      5.242 ppm2      9.334
 ASSI { 2970}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HG2 ")
      6.000     6.000     0.000 peak  2970 weight  0.10000E+01 volume  0.19000E+00 ppm1      3.789 ppm2      2.038
 OR { 2970}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HB2 ")
 ASSI { 2961}
     (segid "    " and resid "20  " and name "HB2 ")
     (segid "    " and resid "18  " and name "HB1 ")
      6.000     6.000     0.000 peak  2961 weight  0.10000E+01 volume  0.11100E+00 ppm1      4.131 ppm2      2.223
 OR { 2961}
     (segid "    " and resid "20  " and name "HB2 ")
     (segid "    " and resid "18  " and name "HG2 ")
 OR { 2961}
     (segid "    " and resid "20  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HG1 ")
 ASSI { 2957}
     (segid "    " and resid "20  " and name "HB2 ")
     (segid "    " and resid "21  " and name "HN  ")
      6.000     6.000     0.000 peak  2957 weight  0.10000E+01 volume  0.22800E+00 ppm1      4.133 ppm2      7.839
 ASSI { 2956}
     (segid "    " and resid "20  " and name "HB2 ")
     (segid "    " and resid "20  " and name "HN  ")
      5.000     5.000     0.000 peak  2956 weight  0.10000E+01 volume  0.83100E+00 ppm1      4.131 ppm2      7.056
 ASSI { 2965}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "21  " and name "HN  ")
      6.000     6.000     0.000 peak  2965 weight  0.10000E+01 volume  0.24700E+00 ppm1      3.780 ppm2      7.838
 ASSI { 2958}
     (segid "    " and resid "20  " and name "HB2 ")
     (segid "    " and resid "55  " and name "HG23")
      5.000     5.000     0.000 peak  2958 weight  0.10000E+01 volume  0.30400E+00 ppm1      4.133 ppm2      1.199
 OR { 2958}
     (segid "    " and resid "20  " and name "HB2 ")
     (segid "    " and resid "55  " and name "HG21")
 OR { 2958}
     (segid "    " and resid "20  " and name "HB2 ")
     (segid "    " and resid "55  " and name "HG22")
 ASSI { 2964}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "20  " and name "HN  ")
      5.000     5.000     0.000 peak  2964 weight  0.10000E+01 volume  0.14630E+01 ppm1      3.781 ppm2      7.053
 ASSI { 2955}
     (segid "    " and resid "20  " and name "HB2 ")
     (segid "    " and resid "20  " and name "HA  ")
      2.700     2.700     0.000 peak  2955 weight  0.10000E+01 volume  0.42710E+01 ppm1      4.133 ppm2      4.413
 ASSI { 2968}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "18  " and name "HB1 ")
      6.000     6.000     0.000 peak  2968 weight  0.10000E+01 volume  0.22100E+00 ppm1      3.782 ppm2      2.215
 OR { 2968}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HG1 ")
 OR { 2968}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "18  " and name "HG2 ")
 ASSI { 2966}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "55  " and name "HG22")
      6.000     6.000     0.000 peak  2966 weight  0.10000E+01 volume  0.25600E+00 ppm1      3.783 ppm2      1.200
 OR { 2966}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "55  " and name "HG23")
 OR { 2966}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "55  " and name "HG21")
 OR { 2966}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 2966}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 2966}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "22  " and name "HG23")
 ASSI { 2967}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "55  " and name "HB  ")
      6.000     6.000     0.000 peak  2967 weight  0.10000E+01 volume  0.20900E+00 ppm1      3.783 ppm2      4.587
 ASSI { 5231}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HB1 ")
      6.000     6.000     0.000 peak  5231 weight  0.10000E+01 volume  0.14600E+00 ppm1      3.637 ppm2      0.962
 ASSI { 5230}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "67  " and name "HG11")
      6.000     6.000     0.000 peak  5230 weight  0.10000E+01 volume  0.16200E+00 ppm1      3.634 ppm2      1.439
 OR { 5230}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HG  ")
 ASSI { 5227}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HZ  ")
      5.000     5.000     0.000 peak  5227 weight  0.10000E+01 volume  0.35600E+00 ppm1      3.637 ppm2      7.427
 OR { 5227}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 5227}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HD2 ")
 ASSI { 5222}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "65  " and name "HA  ")
      5.000     5.000     0.000 peak  5222 weight  0.10000E+01 volume  0.96200E+00 ppm1      3.639 ppm2      4.590
 ASSI { 5205}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "66  " and name "HN  ")
      5.000     5.000     0.000 peak  5205 weight  0.10000E+01 volume  0.92200E+00 ppm1      3.804 ppm2      8.651
 ASSI { 5203}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "65  " and name "HA  ")
      5.000     5.000     0.000 peak  5203 weight  0.10000E+01 volume  0.14690E+01 ppm1      3.803 ppm2      4.593
 ASSI { 5215}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HG12")
      6.000     6.000     0.000 peak  5215 weight  0.10000E+01 volume  0.15100E+00 ppm1      3.807 ppm2      0.887
 OR { 5215}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "66  " and name "HG23")
 OR { 5215}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "66  " and name "HG22")
 OR { 5215}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "66  " and name "HG21")
 ASSI { 5224}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "62  " and name "HN  ")
      5.000     5.000     0.000 peak  5224 weight  0.10000E+01 volume  0.42800E+00 ppm1      3.638 ppm2      7.704
 ASSI { 5220}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HD21")
      5.000     5.000     0.000 peak  5220 weight  0.10000E+01 volume  0.94300E+00 ppm1      3.640 ppm2     -0.091
 OR { 5220}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HD23")
 OR { 5220}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HD22")
 ASSI { 5208}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HZ  ")
      5.000     5.000     0.000 peak  5208 weight  0.10000E+01 volume  0.73600E+00 ppm1      3.808 ppm2      7.440
 OR { 5208}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 5208}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HD1 ")
 ASSI { 5223}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "66  " and name "HN  ")
      5.000     5.000     0.000 peak  5223 weight  0.10000E+01 volume  0.59800E+00 ppm1      3.637 ppm2      8.651
 ASSI { 5226}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HD12")
      5.000     5.000     0.000 peak  5226 weight  0.10000E+01 volume  0.34100E+00 ppm1      3.640 ppm2      0.571
 OR { 5226}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 5226}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HD11")
 OR { 5226}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HD13")
 OR { 5226}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 5226}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HD12")
 ASSI { 5225}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HE1 ")
      5.000     5.000     0.000 peak  5225 weight  0.10000E+01 volume  0.52300E+00 ppm1      3.635 ppm2      7.528
 OR { 5225}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "45  " and name "HE2 ")
 ASSI { 5209}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "62  " and name "HN  ")
      5.000     5.000     0.000 peak  5209 weight  0.10000E+01 volume  0.37700E+00 ppm1      3.806 ppm2      7.701
 ASSI { 5204}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "65  " and name "HN  ")
      5.000     5.000     0.000 peak  5204 weight  0.10000E+01 volume  0.10210E+01 ppm1      3.806 ppm2      7.926
 ASSI { 5218}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "65  " and name "HN  ")
      5.000     5.000     0.000 peak  5218 weight  0.10000E+01 volume  0.14760E+01 ppm1      3.637 ppm2      7.924
 ASSI { 5228}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "3   " and name "HB1 ")
      6.000     6.000     0.000 peak  5228 weight  0.10000E+01 volume  0.12700E+00 ppm1      3.633 ppm2      1.119
 OR { 5228}
     (segid "    " and resid "65  " and name "HB2 ")
     (segid "    " and resid "61  " and name "HG  ")
 ASSI { 5214}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "67  " and name "HG11")
      6.000     6.000     0.000 peak  5214 weight  0.10000E+01 volume  0.10900E+00 ppm1      3.811 ppm2      1.418
 OR { 5214}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "3   " and name "HG  ")
 ASSI { 5211}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HG  ")
      6.000     6.000     0.000 peak  5211 weight  0.10000E+01 volume  0.11100E+00 ppm1      3.815 ppm2      1.114
 OR { 5211}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "3   " and name "HB1 ")
 ASSI { 2846}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "1   " and name "HE1 ")
      3.300     3.300     0.000 peak  2846 weight  0.10000E+01 volume  0.19710E+01 ppm1      4.123 ppm2      1.671
 OR { 2846}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 2846}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 2846}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "56  " and name "HG  ")
 ASSI { 2852}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "57  " and name "HN  ")
      5.000     5.000     0.000 peak  2852 weight  0.10000E+01 volume  0.59400E+00 ppm1      4.123 ppm2      8.705
 OR { 2852}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "56  " and name "HN  ")
 ASSI { 2853}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "21  " and name "HN  ")
      6.000     6.000     0.000 peak  2853 weight  0.10000E+01 volume  0.27400E+00 ppm1      4.123 ppm2      7.840
 OR { 2853}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "58  " and name "HN  ")
 ASSI { 2842}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "56  " and name "HB2 ")
      2.700     2.700     0.000 peak  2842 weight  0.10000E+01 volume  0.61450E+01 ppm1      4.123 ppm2      2.028
 OR { 2842}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "19  " and name "HB2 ")
 ASSI { 2851}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD13")
      5.000     5.000     0.000 peak  2851 weight  0.10000E+01 volume  0.93100E+00 ppm1      4.123 ppm2      0.692
 OR { 2851}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 2851}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD12")
 ASSI { 2847}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "56  " and name "HB1 ")
      3.300     3.300     0.000 peak  2847 weight  0.10000E+01 volume  0.16020E+01 ppm1      4.119 ppm2      1.282
 OR { 2847}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "61  " and name "HB2 ")
 ASSI { 2859}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "18  " and name "HA  ")
      6.000     6.000     0.000 peak  2859 weight  0.10000E+01 volume  0.12500E+00 ppm1      4.115 ppm2      4.869
 OR { 2859}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "21  " and name "HA  ")
 ASSI { 2315}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD12")
      5.000     5.000     0.000 peak  2315 weight  0.10000E+01 volume  0.43400E+00 ppm1      4.120 ppm2      0.564
 OR { 2315}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 2315}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 2315}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "3   " and name "HD13")
 OR { 2315}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 2315}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 2315}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 2315}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD21")
 ASSI { 2854}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "20  " and name "HN  ")
      5.000     5.000     0.000 peak  2854 weight  0.10000E+01 volume  0.39500E+00 ppm1      4.124 ppm2      7.065
 ASSI { 2858}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "1   " and name "HG1 ")
      6.000     6.000     0.000 peak  2858 weight  0.10000E+01 volume  0.22400E+00 ppm1      4.123 ppm2      2.483
 ASSI { 4921}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "33  " and name "HD2 ")
      5.000     5.000     0.000 peak  4921 weight  0.10000E+01 volume  0.57400E+00 ppm1      3.441 ppm2      1.644
 OR { 4921}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "33  " and name "HG1 ")
 OR { 4921}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "33  " and name "HG2 ")
 OR { 4921}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "13  " and name "HG  ")
 OR { 4921}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG2 ")
 OR { 4921}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "29  " and name "HG2 ")
 OR { 4921}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "29  " and name "HD2 ")
 OR { 4921}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "28  " and name "HB2 ")
 OR { 4921}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "28  " and name "HB1 ")
 OR { 4921}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "28  " and name "HB3 ")
 ASSI { 4914}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HD1 ")
      5.000     5.000     0.000 peak  4914 weight  0.10000E+01 volume  0.12080E+01 ppm1      3.441 ppm2      7.362
 OR { 4914}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 4914}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "33  " and name "HN  ")
 OR { 4914}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 4914}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "45  " and name "HD1 ")
 OR { 4914}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HN  ")
 ASSI { 2031}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG23")
      2.700     2.700     0.000 peak  2031 weight  0.10000E+01 volume  0.56310E+01 ppm1      3.446 ppm2      0.666
 OR { 2031}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG22")
 OR { 2031}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG21")
 OR { 2031}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG12")
 ASSI { 2042}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "13  " and name "HD11")
      3.300     3.300     0.000 peak  2042 weight  0.10000E+01 volume  0.25940E+01 ppm1      3.446 ppm2      0.811
 OR { 2042}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 2042}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 2042}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 2042}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 2042}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 2042}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 2042}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 2042}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 2042}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 2042}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 2042}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 2042}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 2042}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 2042}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "26  " and name "HD12")
 ASSI { 4913}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "60  " and name "HN  ")
      5.000     5.000     0.000 peak  4913 weight  0.10000E+01 volume  0.13910E+01 ppm1      3.446 ppm2      8.099
 OR { 4913}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 4913}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "32  " and name "HN  ")
 OR { 4913}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "30  " and name "HN  ")
 OR { 4913}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "60  " and name "HN  ")
 OR { 4913}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "32  " and name "HN  ")
 ASSI { 3932}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG21")
      6.000     6.000     0.000 peak  3932 weight  0.10000E+01 volume  0.23500E+00 ppm1      4.060 ppm2      0.917
 OR { 3932}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG23")
 OR { 3932}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG22")
 ASSI { 3933}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD12")
      6.000     6.000     0.000 peak  3933 weight  0.10000E+01 volume  0.28200E+00 ppm1      4.058 ppm2      0.800
 OR { 3933}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 3933}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 3933}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 3933}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 3933}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 3933}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 3933}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 3933}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 3933}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 3933}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 3933}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD23")
 OR { 3933}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 3933}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD21")
 OR { 3933}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "69  " and name "HD22")
 OR { 3933}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 3933}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "36  " and name "HD11")
 ASSI { 3922}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG1 ")
      5.000     5.000     0.000 peak  3922 weight  0.10000E+01 volume  0.11430E+01 ppm1      4.059 ppm2      2.514
 ASSI { 3928}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "41  " and name "HN  ")
      5.000     5.000     0.000 peak  3928 weight  0.10000E+01 volume  0.44900E+00 ppm1      4.060 ppm2      7.367
 ASSI { 3934}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "27  " and name "HE1 ")
      6.000     6.000     0.000 peak  3934 weight  0.10000E+01 volume  0.20700E+00 ppm1      4.056 ppm2      2.736
 OR { 3934}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "39  " and name "HB1 ")
 ASSI { 3930}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "39  " and name "HA  ")
      6.000     6.000     0.000 peak  3930 weight  0.10000E+01 volume  0.18200E+00 ppm1      4.060 ppm2      4.439
 OR { 3930}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "40  " and name "HA  ")
 OR { 3930}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "36  " and name "HA  ")
 ASSI { 3925}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "41  " and name "HB2 ")
      5.000     5.000     0.000 peak  3925 weight  0.10000E+01 volume  0.12170E+01 ppm1      4.061 ppm2      1.920
 OR { 3925}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "41  " and name "HB1 ")
 OR { 3925}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "31  " and name "HB2 ")
 ASSI { 3931}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "27  " and name "HA  ")
      6.000     6.000     0.000 peak  3931 weight  0.10000E+01 volume  0.23500E+00 ppm1      4.065 ppm2      4.623
 OR { 3931}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "37  " and name "HA  ")
 ASSI { 3929}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "40  " and name "HN  ")
      6.000     6.000     0.000 peak  3929 weight  0.10000E+01 volume  0.19900E+00 ppm1      4.060 ppm2      7.913
 ASSI { 3927}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "39  " and name "HN  ")
      5.000     5.000     0.000 peak  3927 weight  0.10000E+01 volume  0.56000E+00 ppm1      4.059 ppm2      8.541
 ASSI { 3923}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "41  " and name "HE22")
      5.000     5.000     0.000 peak  3923 weight  0.10000E+01 volume  0.11790E+01 ppm1      4.060 ppm2      6.438
 ASSI { 3921}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "27  " and name "HB1 ")
      3.300     3.300     0.000 peak  3921 weight  0.10000E+01 volume  0.23570E+01 ppm1      4.060 ppm2      1.457
 OR { 3921}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "27  " and name "HG2 ")
 ASSI { 3919}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "27  " and name "HD1 ")
      2.700     2.700     0.000 peak  3919 weight  0.10000E+01 volume  0.33000E+01 ppm1      4.060 ppm2      1.656
 OR { 3919}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "27  " and name "HD2 ")
 OR { 3919}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "41  " and name "HG2 ")
 OR { 3919}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "38  " and name "HG2 ")
 ASSI { 3924}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "41  " and name "HE21")
      5.000     5.000     0.000 peak  3924 weight  0.10000E+01 volume  0.93500E+00 ppm1      4.059 ppm2      6.699
 ASSI { 3054}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "56  " and name "HG  ")
      6.000     6.000     0.000 peak  3054 weight  0.10000E+01 volume  0.21200E+00 ppm1      3.377 ppm2      1.683
 OR { 3054}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "27  " and name "HD2 ")
 OR { 3054}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "27  " and name "HD1 ")
 OR { 3054}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "43  " and name "HB2 ")
 OR { 3054}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "54  " and name "HG2 ")
 ASSI { 3046}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "26  " and name "HN  ")
      5.000     5.000     0.000 peak  3046 weight  0.10000E+01 volume  0.97200E+00 ppm1      3.386 ppm2      7.737
 ASSI { 3051}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "50  " and name "HB1 ")
      6.000     6.000     0.000 peak  3051 weight  0.10000E+01 volume  0.28400E+00 ppm1      3.383 ppm2      1.137
 ASSI { 3050}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "27  " and name "HN  ")
      6.000     6.000     0.000 peak  3050 weight  0.10000E+01 volume  0.20600E+00 ppm1      3.385 ppm2      8.550
 ASSI { 3053}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "24  " and name "HA  ")
      6.000     6.000     0.000 peak  3053 weight  0.10000E+01 volume  0.12900E+00 ppm1      3.382 ppm2      3.859
 OR { 3053}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "50  " and name "HA  ")
 ASSI { 3048}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "27  " and name "HG2 ")
      5.000     5.000     0.000 peak  3048 weight  0.10000E+01 volume  0.57300E+00 ppm1      3.386 ppm2      1.477
 OR { 3048}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "27  " and name "HG1 ")
 OR { 3048}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "26  " and name "HG  ")
 OR { 3048}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "50  " and name "HB2 ")
 ASSI { 3049}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "24  " and name "HN  ")
      6.000     6.000     0.000 peak  3049 weight  0.10000E+01 volume  0.25300E+00 ppm1      3.383 ppm2     10.181
 ASSI { 3057}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "22  " and name "HA  ")
      6.000     6.000     0.000 peak  3057 weight  0.10000E+01 volume  0.11700E+00 ppm1      3.383 ppm2      4.913
 ASSI { 3044}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "23  " and name "HN  ")
      5.000     5.000     0.000 peak  3044 weight  0.10000E+01 volume  0.11810E+01 ppm1      3.389 ppm2      8.387
 ASSI { 3055}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "25  " and name "HN  ")
      6.000     6.000     0.000 peak  3055 weight  0.10000E+01 volume  0.94000E-01 ppm1      3.394 ppm2      7.952
 ASSI { 1942}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "4   " and name "HA  ")
      6.000     6.000     0.000 peak  1942 weight  0.10000E+01 volume  0.80000E-01 ppm1      4.014 ppm2      5.598
 ASSI { 2563}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "15  " and name "HN  ")
      5.000     5.000     0.000 peak  2563 weight  0.10000E+01 volume  0.74100E+00 ppm1      4.006 ppm2      8.762
 OR { 2563}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "3   " and name "HN  ")
 ASSI { 2567}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "2   " and name "HG2 ")
      6.000     6.000     0.000 peak  2567 weight  0.10000E+01 volume  0.23100E+00 ppm1      4.007 ppm2      1.814
 OR { 2567}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "16  " and name "HB1 ")
 OR { 2567}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "15  " and name "HB  ")
 OR { 2567}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "16  " and name "HB2 ")
 ASSI { 2568}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "4   " and name "HE1 ")
      6.000     6.000     0.000 peak  2568 weight  0.10000E+01 volume  0.16700E+00 ppm1      4.014 ppm2      7.255
 OR { 2568}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "4   " and name "HE2 ")
 OR { 2568}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "4   " and name "HZ  ")
 ASSI { 2565}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "13  " and name "HA  ")
      5.000     5.000     0.000 peak  2565 weight  0.10000E+01 volume  0.45700E+00 ppm1      4.007 ppm2      4.774
 ASSI { 2566}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "13  " and name "HD11")
      5.000     5.000     0.000 peak  2566 weight  0.10000E+01 volume  0.36500E+00 ppm1      4.008 ppm2      0.832
 OR { 2566}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 2566}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 2566}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 2566}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 2566}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "13  " and name "HD23")
 ASSI { 2561}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "14  " and name "HN  ")
      3.300     3.300     0.000 peak  2561 weight  0.10000E+01 volume  0.26380E+01 ppm1      4.007 ppm2      8.566
 ASSI { 2564}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "2   " and name "HG1 ")
      6.000     6.000     0.000 peak  2564 weight  0.10000E+01 volume  0.22000E+00 ppm1      4.007 ppm2      2.171
 OR { 2564}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "64  " and name "HG2 ")
 ASSI { 2458}
     (segid "    " and resid "12  " and name "HB  ")
     (segid "    " and resid "12  " and name "HA  ")
      5.000     5.000     0.000 peak  2458 weight  0.10000E+01 volume  0.13010E+01 ppm1      3.925 ppm2      5.087
 ASSI { 2459}
     (segid "    " and resid "12  " and name "HB  ")
     (segid "    " and resid "13  " and name "HN  ")
      5.000     5.000     0.000 peak  2459 weight  0.10000E+01 volume  0.41800E+00 ppm1      3.925 ppm2      9.686
 ASSI { 2463}
     (segid "    " and resid "12  " and name "HB  ")
     (segid "    " and resid "6   " and name "HB2 ")
      6.000     6.000     0.000 peak  2463 weight  0.10000E+01 volume  0.15000E+00 ppm1      3.926 ppm2      1.672
 OR { 2463}
     (segid "    " and resid "12  " and name "HB  ")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 2463}
     (segid "    " and resid "12  " and name "HB  ")
     (segid "    " and resid "11  " and name "HB2 ")
 OR { 2463}
     (segid "    " and resid "12  " and name "HB  ")
     (segid "    " and resid "13  " and name "HG  ")
 OR { 2463}
     (segid "    " and resid "12  " and name "HB  ")
     (segid "    " and resid "13  " and name "HB1 ")
 ASSI { 2451}
     (segid "    " and resid "12  " and name "HB  ")
     (segid "    " and resid "12  " and name "HN  ")
      3.300     3.300     0.000 peak  2451 weight  0.10000E+01 volume  0.20640E+01 ppm1      3.924 ppm2      8.613
 ASSI { 2460}
     (segid "    " and resid "12  " and name "HB  ")
     (segid "    " and resid "11  " and name "HA  ")
      5.000     5.000     0.000 peak  2460 weight  0.10000E+01 volume  0.39000E+00 ppm1      3.922 ppm2      4.352
 ASSI { 5252}
     (segid "    " and resid "66  " and name "HB  ")
     (segid "    " and resid "65  " and name "HA  ")
      5.000     5.000     0.000 peak  5252 weight  0.10000E+01 volume  0.33800E+00 ppm1      4.081 ppm2      4.590
 OR { 5252}
     (segid "    " and resid "66  " and name "HB  ")
     (segid "    " and resid "67  " and name "HA  ")
 ASSI { 5254}
     (segid "    " and resid "66  " and name "HB  ")
     (segid "    " and resid "67  " and name "HN  ")
      6.000     6.000     0.000 peak  5254 weight  0.10000E+01 volume  0.26700E+00 ppm1      4.082 ppm2      9.329
 OR { 5254}
     (segid "    " and resid "66  " and name "HB  ")
     (segid "    " and resid "68  " and name "HN  ")
 ASSI { 5250}
     (segid "    " and resid "66  " and name "HB  ")
     (segid "    " and resid "66  " and name "HN  ")
      3.300     3.300     0.000 peak  5250 weight  0.10000E+01 volume  0.22690E+01 ppm1      4.082 ppm2      8.650
 ASSI { 8167}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HD2 ")
      5.000     5.000     0.000 peak  8167 weight  0.10000E+01 volume  0.60600E+00 ppm1      6.839 ppm2      1.883
 OR { 8167}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HD1 ")
 OR { 8167}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HD2 ")
 OR { 8167}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HD1 ")
 ASSI { 8387}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "59  " and name "HB2 ")
      5.000     5.000     0.000 peak  8387 weight  0.10000E+01 volume -0.32100E+00 ppm1      6.837 ppm2      2.562
 OR { 8387}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "59  " and name "HB2 ")
 OR { 8387}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HB2 ")
 ASSI { 8157}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HB1 ")
      5.000     5.000     0.000 peak  8157 weight  0.10000E+01 volume -0.49300E+00 ppm1      6.840 ppm2      1.967
 OR { 8157}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HB1 ")
 OR { 8157}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HB2 ")
 OR { 8157}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HB2 ")
 ASSI { 8378}
     (segid "    " and resid "59  " and name "HE2 ")
     (segid "    " and resid "59  " and name "HB1 ")
      5.000     5.000     0.000 peak  8378 weight  0.10000E+01 volume -0.36500E+00 ppm1      6.829 ppm2      3.461
 OR { 8378}
     (segid "    " and resid "59  " and name "HE1 ")
     (segid "    " and resid "59  " and name "HB1 ")
 ASSI { 8538}
     (segid "    " and resid "4   " and name "HZ  ")
     (segid "    " and resid "64  " and name "HB1 ")
      5.000     5.000     0.000 peak  8538 weight  0.10000E+01 volume  0.31100E+00 ppm1      7.230 ppm2      2.436
 ASSI { 6977}
     (segid "    " and resid "4   " and name "HZ  ")
     (segid "    " and resid "14  " and name "HG22")
      5.000     5.000     0.000 peak  6977 weight  0.10000E+01 volume  0.41900E+00 ppm1      7.233 ppm2      1.071
 OR { 6977}
     (segid "    " and resid "4   " and name "HZ  ")
     (segid "    " and resid "14  " and name "HG21")
 OR { 6977}
     (segid "    " and resid "4   " and name "HZ  ")
     (segid "    " and resid "14  " and name "HG23")
 OR { 6977}
     (segid "    " and resid "4   " and name "HZ  ")
     (segid "    " and resid "12  " and name "HG22")
 ASSI { 8423}
     (segid "    " and resid "45  " and name "HZ  ")
     (segid "    " and resid "61  " and name "HA  ")
      6.000     6.000     0.000 peak  8423 weight  0.10000E+01 volume -0.21200E+00 ppm1      7.443 ppm2      3.706
 ASSI { 8533}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "64  " and name "HA  ")
      5.000     5.000     0.000 peak  8533 weight  0.10000E+01 volume -0.46800E+00 ppm1      7.253 ppm2      3.293
 OR { 8533}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "64  " and name "HA  ")
 ASSI { 8551}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "64  " and name "HG2 ")
      5.000     5.000     0.000 peak  8551 weight  0.10000E+01 volume -0.47000E+00 ppm1      7.250 ppm2      2.175
 OR { 8551}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "64  " and name "HG2 ")
 OR { 8551}
     (segid "    " and resid "4   " and name "HE1 ")
     (segid "    " and resid "64  " and name "HG1 ")
 OR { 8551}
     (segid "    " and resid "4   " and name "HE2 ")
     (segid "    " and resid "64  " and name "HG1 ")
 ASSI { 2091}
     (segid "    " and resid "45  " and name "HE1 ")
     (segid "    " and resid "45  " and name "HZ  ")
      2.700     2.700     0.000 peak  2091 weight  0.10000E+01 volume  0.51910E+01 ppm1      7.534 ppm2      7.458
 OR { 2091}
     (segid "    " and resid "45  " and name "HE2 ")
     (segid "    " and resid "45  " and name "HZ  ")
 ASSI { 8449}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HD13")
      5.000     5.000     0.000 peak  8449 weight  0.10000E+01 volume  0.32100E+00 ppm1      7.207 ppm2      0.542
 OR { 8449}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 8449}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 8449}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 8449}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 8449}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "61  " and name "HD13")
 ASSI { 8281}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "54  " and name "HB1 ")
      6.000     6.000     0.000 peak  8281 weight  0.10000E+01 volume  0.16100E+00 ppm1      7.209 ppm2      2.327
 OR { 8281}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 8281}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 8281}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "54  " and name "HB1 ")
 ASSI { 7492}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "23  " and name "HG22")
      5.000     5.000     0.000 peak  7492 weight  0.10000E+01 volume  0.49400E+00 ppm1      7.208 ppm2      1.018
 OR { 7492}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 7492}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 7492}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 7492}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 7492}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "23  " and name "HG22")
 ASSI { 8344}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "56  " and name "HD21")
      6.000     6.000     0.000 peak  8344 weight  0.10000E+01 volume  0.19300E+00 ppm1      7.208 ppm2      0.540
 OR { 8344}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 8344}
     (segid "    " and resid "59  " and name "HD2 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 8344}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 8344}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 8344}
     (segid "    " and resid "59  " and name "HD1 ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 8344}
     (segid "    " and resid "17  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 8344}
     (segid "    " and resid "17  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 8344}
     (segid "    " and resid "17  " and name "HA  ")
     (segid "    " and resid "56  " and name "HD22")
 ASSI { 8003}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "42  " and name "HB2 ")
      5.000     5.000     0.000 peak  8003 weight  0.10000E+01 volume  0.30700E+00 ppm1      0.649 ppm2      1.549
 OR { 8003}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "42  " and name "HB2 ")
 OR { 8003}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "42  " and name "HB2 ")
 ASSI { 7996}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "42  " and name "HB1 ")
      6.000     6.000     0.000 peak  7996 weight  0.10000E+01 volume  0.27700E+00 ppm1      0.647 ppm2      1.664
 OR { 7996}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "42  " and name "HB1 ")
 OR { 7996}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "42  " and name "HB1 ")
 ASSI { 8063}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "44  " and name "HA  ")
      6.000     6.000     0.000 peak  8063 weight  0.10000E+01 volume -0.23000E+00 ppm1      0.650 ppm2      4.864
 OR { 8063}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "44  " and name "HA  ")
 OR { 8063}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "44  " and name "HA  ")
 ASSI { 8069}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "44  " and name "HG11")
      3.300     3.300     0.000 peak  8069 weight  0.10000E+01 volume  0.18410E+01 ppm1      0.644 ppm2      1.367
 OR { 8069}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "44  " and name "HG11")
 OR { 8069}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "44  " and name "HG11")
 ASSI { 8074}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "44  " and name "HG12")
      3.300     3.300     0.000 peak  8074 weight  0.10000E+01 volume  0.17250E+01 ppm1      0.647 ppm2      1.082
 OR { 8074}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "44  " and name "HG12")
 OR { 8074}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "44  " and name "HG12")
 ASSI { 8174}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "49  " and name "HG1 ")
      5.000     5.000     0.000 peak  8174 weight  0.10000E+01 volume -0.64400E+00 ppm1      0.654 ppm2      2.231
 OR { 8174}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "49  " and name "HG1 ")
 OR { 8174}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 8174}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "49  " and name "HG1 ")
 OR { 8174}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 8174}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "49  " and name "HG2 ")
 ASSI { 4459}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "49  " and name "HB2 ")
      5.000     5.000     0.000 peak  4459 weight  0.10000E+01 volume  0.73600E+00 ppm1      0.648 ppm2      1.939
 OR { 4459}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "49  " and name "HB2 ")
 OR { 4459}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "49  " and name "HB2 ")
 OR { 4459}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "49  " and name "HB1 ")
 OR { 4459}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "49  " and name "HB1 ")
 OR { 4459}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "49  " and name "HB1 ")
 ASSI { 8689}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "70  " and name "HG13")
      5.000     5.000     0.000 peak  8689 weight  0.10000E+01 volume  0.11730E+01 ppm1      0.649 ppm2      0.932
 OR { 8689}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "70  " and name "HG11")
 OR { 8689}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "70  " and name "HG11")
 OR { 8689}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "70  " and name "HG11")
 OR { 8689}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "70  " and name "HG13")
 OR { 8689}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "70  " and name "HG12")
 OR { 8689}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "70  " and name "HG12")
 OR { 8689}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "70  " and name "HG13")
 OR { 8689}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "70  " and name "HG12")
 ASSI { 8618}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "68  " and name "HB1 ")
      6.000     6.000     0.000 peak  8618 weight  0.10000E+01 volume  0.10600E+00 ppm1      0.649 ppm2      3.065
 OR { 8618}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 8618}
     (segid "    " and resid "44  " and name "HD11")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 8618}
     (segid "    " and resid "44  " and name "HD12")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 8618}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 8618}
     (segid "    " and resid "44  " and name "HD13")
     (segid "    " and resid "68  " and name "HB1 ")
 ASSI { 7686}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "30  " and name "HG21")
      5.000     5.000     0.000 peak  7686 weight  0.10000E+01 volume  0.46300E+00 ppm1      0.805 ppm2      0.643
 OR { 7686}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "30  " and name "HG23")
 OR { 7686}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "30  " and name "HG21")
 OR { 7686}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "30  " and name "HG23")
 OR { 7686}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "30  " and name "HG23")
 OR { 7686}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "30  " and name "HG21")
 OR { 7686}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "30  " and name "HG22")
 OR { 7686}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "30  " and name "HG22")
 OR { 7686}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "30  " and name "HG22")
 ASSI { 7785}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "34  " and name "HG1 ")
      5.000     5.000     0.000 peak  7785 weight  0.10000E+01 volume -0.67500E+00 ppm1      0.808 ppm2      2.127
 OR { 7785}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "34  " and name "HG2 ")
 OR { 7785}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "34  " and name "HG2 ")
 OR { 7785}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 7785}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 7785}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "34  " and name "HG2 ")
 ASSI { 7775}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "34  " and name "HB1 ")
      5.000     5.000     0.000 peak  7775 weight  0.10000E+01 volume  0.45900E+00 ppm1      0.802 ppm2      2.141
 OR { 7775}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "34  " and name "HB1 ")
 OR { 7775}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "34  " and name "HB1 ")
 ASSI { 7811}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "36  " and name "HG11")
      3.300     3.300     0.000 peak  7811 weight  0.10000E+01 volume  0.15820E+01 ppm1      0.803 ppm2      1.381
 OR { 7811}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "36  " and name "HG11")
 OR { 7811}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "36  " and name "HG11")
 ASSI { 7796}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "36  " and name "HA  ")
      5.000     5.000     0.000 peak  7796 weight  0.10000E+01 volume -0.30200E+00 ppm1      0.806 ppm2      4.440
 OR { 7796}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "36  " and name "HA  ")
 OR { 7796}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "36  " and name "HA  ")
 ASSI { 7815}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "36  " and name "HG12")
      3.300     3.300     0.000 peak  7815 weight  0.10000E+01 volume  0.29890E+01 ppm1      0.805 ppm2      1.102
 OR { 7815}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "36  " and name "HG12")
 OR { 7815}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "36  " and name "HG12")
 ASSI { 7779}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "34  " and name "HB2 ")
      5.000     5.000     0.000 peak  7779 weight  0.10000E+01 volume  0.46800E+00 ppm1      0.805 ppm2      1.705
 OR { 7779}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "34  " and name "HB2 ")
 OR { 7779}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "34  " and name "HB2 ")
 ASSI { 7821}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "36  " and name "HG23")
      5.000     5.000     0.000 peak  7821 weight  0.10000E+01 volume  0.73300E+00 ppm1      0.803 ppm2      0.952
 OR { 7821}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "36  " and name "HG23")
 OR { 7821}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "36  " and name "HG23")
 OR { 7821}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "36  " and name "HG22")
 OR { 7821}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "36  " and name "HG21")
 OR { 7821}
     (segid "    " and resid "36  " and name "HD13")
     (segid "    " and resid "36  " and name "HG22")
 OR { 7821}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "36  " and name "HG22")
 OR { 7821}
     (segid "    " and resid "36  " and name "HD11")
     (segid "    " and resid "36  " and name "HG21")
 OR { 7821}
     (segid "    " and resid "36  " and name "HD12")
     (segid "    " and resid "36  " and name "HG21")
 ASSI { 8602}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "67  " and name "HG21")
      5.000     5.000     0.000 peak  8602 weight  0.10000E+01 volume  0.12380E+01 ppm1      0.652 ppm2      0.855
 OR { 8602}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "67  " and name "HG23")
 OR { 8602}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "67  " and name "HG21")
 OR { 8602}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "67  " and name "HG23")
 OR { 8602}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "67  " and name "HG23")
 OR { 8602}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "67  " and name "HG22")
 OR { 8602}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "67  " and name "HG21")
 OR { 8602}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "67  " and name "HG22")
 OR { 8602}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "67  " and name "HG22")
 ASSI { 8581}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "67  " and name "HB  ")
      5.000     5.000     0.000 peak  8581 weight  0.10000E+01 volume -0.14630E+01 ppm1      0.663 ppm2      1.711
 OR { 8581}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "67  " and name "HB  ")
 OR { 8581}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "67  " and name "HB  ")
 ASSI { 8595}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "67  " and name "HG12")
      2.700     2.700     0.000 peak  8595 weight  0.10000E+01 volume  0.43380E+01 ppm1      0.652 ppm2      0.890
 OR { 8595}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "67  " and name "HG12")
 OR { 8595}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "67  " and name "HG12")
 ASSI { 7666}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "30  " and name "HA  ")
      5.000     5.000     0.000 peak  7666 weight  0.10000E+01 volume  0.65400E+00 ppm1      0.804 ppm2      3.459
 OR { 7666}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "30  " and name "HA  ")
 OR { 7666}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "30  " and name "HA  ")
 ASSI { 7678}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "30  " and name "HG11")
      3.300     3.300     0.000 peak  7678 weight  0.10000E+01 volume  0.27910E+01 ppm1      0.811 ppm2      1.812
 OR { 7678}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "30  " and name "HG11")
 OR { 7678}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "30  " and name "HG11")
 ASSI { 7681}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "30  " and name "HG12")
      3.300     3.300     0.000 peak  7681 weight  0.10000E+01 volume  0.15160E+01 ppm1      0.809 ppm2      0.648
 OR { 7681}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "30  " and name "HG12")
 OR { 7681}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "30  " and name "HG12")
 ASSI { 8053}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "26  " and name "HG  ")
      5.000     5.000     0.000 peak  8053 weight  0.10000E+01 volume  0.72200E+00 ppm1      0.804 ppm2      1.487
 OR { 8053}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "26  " and name "HG  ")
 OR { 8053}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "26  " and name "HG  ")
 OR { 8053}
     (segid "    " and resid "30  " and name "HD13")
     (segid "    " and resid "43  " and name "HG  ")
 OR { 8053}
     (segid "    " and resid "30  " and name "HD12")
     (segid "    " and resid "43  " and name "HG  ")
 OR { 8053}
     (segid "    " and resid "30  " and name "HD11")
     (segid "    " and resid "43  " and name "HG  ")
 ASSI { 7773}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "34  " and name "HB1 ")
      5.000     5.000     0.000 peak  7773 weight  0.10000E+01 volume  0.52600E+00 ppm1      0.648 ppm2      2.141
 OR { 7773}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "34  " and name "HB1 ")
 OR { 7773}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "34  " and name "HB1 ")
 ASSI { 7677}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "30  " and name "HG11")
      5.000     5.000     0.000 peak  7677 weight  0.10000E+01 volume  0.95700E+00 ppm1      0.651 ppm2      1.816
 OR { 7677}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "30  " and name "HG11")
 OR { 7677}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "30  " and name "HG11")
 ASSI { 7672}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "30  " and name "HB  ")
      3.300     3.300     0.000 peak  7672 weight  0.10000E+01 volume -0.29600E+01 ppm1      0.653 ppm2      2.194
 OR { 7672}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 7672}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "30  " and name "HB  ")
 ASSI { 8953}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "1   " and name "HG2 ")
      5.000     5.000     0.000 peak  8953 weight  0.10000E+01 volume  0.80400E+00 ppm1      1.668 ppm2      2.164
 OR { 8953}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 8953}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "1   " and name "HG2 ")
 ASSI { 8073}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "44  " and name "HG12")
      5.000     5.000     0.000 peak  8073 weight  0.10000E+01 volume  0.11260E+01 ppm1      0.694 ppm2      1.081
 OR { 8073}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "44  " and name "HG12")
 OR { 8073}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "44  " and name "HG12")
 ASSI { 8064}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "44  " and name "HA  ")
      5.000     5.000     0.000 peak  8064 weight  0.10000E+01 volume -0.31700E+00 ppm1      0.694 ppm2      4.865
 OR { 8064}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "44  " and name "HA  ")
 OR { 8064}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "44  " and name "HA  ")
 ASSI { 8070}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "44  " and name "HG11")
      5.000     5.000     0.000 peak  8070 weight  0.10000E+01 volume  0.11990E+01 ppm1      0.692 ppm2      1.369
 OR { 8070}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "44  " and name "HG11")
 OR { 8070}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "44  " and name "HG11")
 ASSI { 8065}
     (segid "    " and resid "44  " and name "HG23")
     (segid "    " and resid "44  " and name "HB  ")
      3.300     3.300     0.000 peak  8065 weight  0.10000E+01 volume -0.17700E+01 ppm1      0.692 ppm2      1.802
 OR { 8065}
     (segid "    " and resid "44  " and name "HG21")
     (segid "    " and resid "44  " and name "HB  ")
 OR { 8065}
     (segid "    " and resid "44  " and name "HG22")
     (segid "    " and resid "44  " and name "HB  ")
 ASSI { 7955}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "41  " and name "HA  ")
      6.000     6.000     0.000 peak  7955 weight  0.10000E+01 volume -0.18200E+00 ppm1      0.919 ppm2      4.123
 OR { 7955}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 7955}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 7938}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "40  " and name "HB1 ")
      5.000     5.000     0.000 peak  7938 weight  0.10000E+01 volume  0.73600E+00 ppm1      0.920 ppm2      2.472
 OR { 7938}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "40  " and name "HB1 ")
 OR { 7938}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "40  " and name "HB1 ")
 ASSI { 7812}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "36  " and name "HG11")
      5.000     5.000     0.000 peak  7812 weight  0.10000E+01 volume  0.42900E+00 ppm1      0.921 ppm2      1.385
 OR { 7812}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "36  " and name "HG11")
 OR { 7812}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "36  " and name "HG11")
 ASSI { 7943}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "40  " and name "HB2 ")
      5.000     5.000     0.000 peak  7943 weight  0.10000E+01 volume  0.64100E+00 ppm1      0.923 ppm2      1.799
 OR { 7943}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "40  " and name "HB2 ")
 OR { 7943}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "40  " and name "HB2 ")
 ASSI { 7780}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "34  " and name "HB2 ")
      5.000     5.000     0.000 peak  7780 weight  0.10000E+01 volume  0.35600E+00 ppm1      0.922 ppm2      1.701
 OR { 7780}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "34  " and name "HB2 ")
 OR { 7780}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "34  " and name "HB2 ")
 ASSI { 7623}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "29  " and name "HA  ")
      6.000     6.000     0.000 peak  7623 weight  0.10000E+01 volume -0.24800E+00 ppm1      1.618 ppm2      4.218
 OR { 7623}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HA  ")
 OR { 7623}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "29  " and name "HA  ")
 ASSI { 7816}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "36  " and name "HG12")
      5.000     5.000     0.000 peak  7816 weight  0.10000E+01 volume  0.92900E+00 ppm1      0.927 ppm2      1.150
 OR { 7816}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "36  " and name "HG12")
 OR { 7816}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "36  " and name "HG12")
 ASSI { 7882}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "37  " and name "HG2 ")
      6.000     6.000     0.000 peak  7882 weight  0.10000E+01 volume  0.24100E+00 ppm1      0.917 ppm2      2.062
 OR { 7882}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "37  " and name "HG2 ")
 OR { 7882}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "37  " and name "HG2 ")
 OR { 7882}
     (segid "    " and resid "36  " and name "HG23")
     (segid "    " and resid "37  " and name "HG1 ")
 OR { 7882}
     (segid "    " and resid "36  " and name "HG21")
     (segid "    " and resid "37  " and name "HG1 ")
 OR { 7882}
     (segid "    " and resid "36  " and name "HG22")
     (segid "    " and resid "37  " and name "HG1 ")
 ASSI { 7532}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "25  " and name "HB1 ")
      6.000     6.000     0.000 peak  7532 weight  0.10000E+01 volume -0.16000E+00 ppm1      1.617 ppm2      2.845
 OR { 7532}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "25  " and name "HB1 ")
 OR { 7532}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "25  " and name "HB1 ")
 ASSI { 7614}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "28  " and name "HA  ")
      2.700     2.700     0.000 peak  7614 weight  0.10000E+01 volume -0.49670E+01 ppm1      1.614 ppm2      4.188
 OR { 7614}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "28  " and name "HA  ")
 OR { 7614}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "28  " and name "HA  ")
 ASSI { 7702}
     (segid "    " and resid "28  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HB1 ")
      6.000     6.000     0.000 peak  7702 weight  0.10000E+01 volume  0.85000E-01 ppm1      1.618 ppm2      2.431
 OR { 7702}
     (segid "    " and resid "28  " and name "HB3 ")
     (segid "    " and resid "31  " and name "HB1 ")
 OR { 7702}
     (segid "    " and resid "28  " and name "HB2 ")
     (segid "    " and resid "31  " and name "HB1 ")
 ASSI { 8582}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "67  " and name "HB  ")
      3.300     3.300     0.000 peak  8582 weight  0.10000E+01 volume -0.18210E+01 ppm1      0.830 ppm2      1.719
 OR { 8582}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "67  " and name "HB  ")
 OR { 8582}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "67  " and name "HB  ")
 ASSI { 4532}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "50  " and name "HD13")
      5.000     5.000     0.000 peak  4532 weight  0.10000E+01 volume  0.11940E+01 ppm1      0.830 ppm2      0.462
 OR { 4532}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "50  " and name "HD13")
 OR { 4532}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "50  " and name "HD11")
 OR { 4532}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "50  " and name "HD13")
 OR { 4532}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "50  " and name "HD12")
 OR { 4532}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "50  " and name "HD11")
 OR { 4532}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "50  " and name "HD12")
 OR { 4532}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "50  " and name "HD12")
 OR { 4532}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "50  " and name "HD11")
 ASSI { 8111}
     (segid "    " and resid "67  " and name "HG21")
     (segid "    " and resid "45  " and name "HB2 ")
      5.000     5.000     0.000 peak  8111 weight  0.10000E+01 volume -0.38500E+00 ppm1      0.831 ppm2      2.778
 OR { 8111}
     (segid "    " and resid "67  " and name "HG23")
     (segid "    " and resid "45  " and name "HB2 ")
 OR { 8111}
     (segid "    " and resid "67  " and name "HG22")
     (segid "    " and resid "45  " and name "HB2 ")
 ASSI { 6753}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "3   " and name "HB2 ")
      5.000     5.000     0.000 peak  6753 weight  0.10000E+01 volume -0.68100E+00 ppm1      0.579 ppm2      1.385
 OR { 6753}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "3   " and name "HB2 ")
 OR { 6753}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "3   " and name "HB2 ")
 ASSI { 6981}
     (segid "    " and resid "15  " and name "HG22")
     (segid "    " and resid "15  " and name "HB  ")
      3.300     3.300     0.000 peak  6981 weight  0.10000E+01 volume -0.16870E+01 ppm1      0.565 ppm2      1.774
 OR { 6981}
     (segid "    " and resid "15  " and name "HG21")
     (segid "    " and resid "15  " and name "HB  ")
 OR { 6981}
     (segid "    " and resid "15  " and name "HG23")
     (segid "    " and resid "15  " and name "HB  ")
 ASSI { 6784}
     (segid "    " and resid "5   " and name "HG23")
     (segid "    " and resid "5   " and name "HB  ")
      3.300     3.300     0.000 peak  6784 weight  0.10000E+01 volume -0.18470E+01 ppm1      0.691 ppm2      1.911
 OR { 6784}
     (segid "    " and resid "5   " and name "HG22")
     (segid "    " and resid "5   " and name "HB  ")
 OR { 6784}
     (segid "    " and resid "5   " and name "HG21")
     (segid "    " and resid "5   " and name "HB  ")
 ASSI { 8580}
     (segid "    " and resid "5   " and name "HG22")
     (segid "    " and resid "67  " and name "HB  ")
      5.000     5.000     0.000 peak  8580 weight  0.10000E+01 volume -0.10220E+01 ppm1      0.692 ppm2      1.712
 OR { 8580}
     (segid "    " and resid "5   " and name "HG23")
     (segid "    " and resid "67  " and name "HB  ")
 OR { 8580}
     (segid "    " and resid "5   " and name "HG21")
     (segid "    " and resid "67  " and name "HB  ")
 ASSI { 8083}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "44  " and name "HD13")
      5.000     5.000     0.000 peak  8083 weight  0.10000E+01 volume  0.78300E+00 ppm1      0.825 ppm2      0.644
 OR { 8083}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "44  " and name "HD13")
 OR { 8083}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "44  " and name "HD12")
 OR { 8083}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "44  " and name "HD12")
 OR { 8083}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "44  " and name "HD11")
 OR { 8083}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "44  " and name "HD12")
 OR { 8083}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "44  " and name "HD11")
 OR { 8083}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "44  " and name "HD11")
 OR { 8083}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "44  " and name "HD13")
 ASSI { 8023}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "42  " and name "HD1 ")
      5.000     5.000     0.000 peak  8023 weight  0.10000E+01 volume -0.33700E+00 ppm1      0.828 ppm2      3.073
 OR { 8023}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "42  " and name "HD1 ")
 OR { 8023}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "42  " and name "HD1 ")
 OR { 8023}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 8023}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 8023}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "42  " and name "HD2 ")
 ASSI { 8628}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "68  " and name "HB1 ")
      6.000     6.000     0.000 peak  8628 weight  0.10000E+01 volume  0.13400E+00 ppm1      0.829 ppm2      3.069
 OR { 8628}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 8628}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 8628}
     (segid "    " and resid "70  " and name "HG22")
     (segid "    " and resid "68  " and name "HB2 ")
 OR { 8628}
     (segid "    " and resid "70  " and name "HG21")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 8628}
     (segid "    " and resid "70  " and name "HG23")
     (segid "    " and resid "68  " and name "HB2 ")
 ASSI { 7518}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "24  " and name "HB2 ")
      6.000     6.000     0.000 peak  7518 weight  0.10000E+01 volume  0.67000E-01 ppm1      0.724 ppm2      2.010
 OR { 7518}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "24  " and name "HB2 ")
 OR { 7518}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "24  " and name "HB2 ")
 OR { 7518}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "24  " and name "HB1 ")
 OR { 7518}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "24  " and name "HB1 ")
 OR { 7518}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "24  " and name "HB1 ")
 ASSI { 7583}
     (segid "    " and resid "23  " and name "HG13")
     (segid "    " and resid "27  " and name "HB1 ")
      6.000     6.000     0.000 peak  7583 weight  0.10000E+01 volume -0.13100E+00 ppm1      0.722 ppm2      1.471
 OR { 7583}
     (segid "    " and resid "23  " and name "HG11")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 7583}
     (segid "    " and resid "23  " and name "HG12")
     (segid "    " and resid "27  " and name "HB1 ")
 ASSI { 6938}
     (segid "    " and resid "5   " and name "HG12")
     (segid "    " and resid "69  " and name "HB1 ")
      5.000     5.000     0.000 peak  6938 weight  0.10000E+01 volume -0.12820E+01 ppm1      0.681 ppm2      1.688
 OR { 6938}
     (segid "    " and resid "5   " and name "HG11")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 6938}
     (segid "    " and resid "5   " and name "HG13")
     (segid "    " and resid "69  " and name "HB1 ")
 ASSI { 6899}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "11  " and name "HB2 ")
      5.000     5.000     0.000 peak  6899 weight  0.10000E+01 volume -0.10500E+01 ppm1      1.133 ppm2      1.736
 OR { 6899}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "11  " and name "HB1 ")
 OR { 6899}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "11  " and name "HB2 ")
 OR { 6899}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "11  " and name "HB1 ")
 OR { 6899}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "11  " and name "HB2 ")
 OR { 6899}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "11  " and name "HB1 ")
 ASSI { 6826}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "6   " and name "HG2 ")
      5.000     5.000     0.000 peak  6826 weight  0.10000E+01 volume  0.41000E+00 ppm1      0.897 ppm2      1.257
 OR { 6826}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "6   " and name "HG2 ")
 OR { 6826}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "6   " and name "HG2 ")
 ASSI { 2099}
     (segid "    " and resid "66  " and name "HG21")
     (segid "    " and resid "6   " and name "HG1 ")
      5.000     5.000     0.000 peak  2099 weight  0.10000E+01 volume  0.36900E+00 ppm1      0.896 ppm2      1.419
 OR { 2099}
     (segid "    " and resid "66  " and name "HG23")
     (segid "    " and resid "6   " and name "HG1 ")
 OR { 2099}
     (segid "    " and resid "66  " and name "HG22")
     (segid "    " and resid "6   " and name "HG1 ")
 ASSI { 6909}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "11  " and name "HD2 ")
      6.000     6.000     0.000 peak  6909 weight  0.10000E+01 volume  0.29800E+00 ppm1      1.140 ppm2      1.605
 OR { 6909}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 6909}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 6909}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "11  " and name "HD1 ")
 OR { 6909}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "11  " and name "HD1 ")
 OR { 6909}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "11  " and name "HD1 ")
 OR { 6909}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "6   " and name "HD1 ")
 OR { 6909}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "6   " and name "HD1 ")
 OR { 6909}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "6   " and name "HD1 ")
 OR { 6909}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "6   " and name "HD2 ")
 OR { 6909}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "6   " and name "HD2 ")
 OR { 6909}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "6   " and name "HD2 ")
 ASSI { 1933}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "6   " and name "HA  ")
      5.000     5.000     0.000 peak  1933 weight  0.10000E+01 volume -0.45300E+00 ppm1      1.133 ppm2      5.208
 OR { 1933}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "6   " and name "HA  ")
 OR { 1933}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "6   " and name "HA  ")
 OR { 1933}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 1933}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 1933}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "6   " and name "HA  ")
 OR { 1933}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "6   " and name "HA  ")
 OR { 1933}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 1933}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 1933}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "16  " and name "HA  ")
 ASSI { 6785}
     (segid "    " and resid "5   " and name "HG11")
     (segid "    " and resid "5   " and name "HB  ")
      3.300     3.300     0.000 peak  6785 weight  0.10000E+01 volume -0.25390E+01 ppm1      0.684 ppm2      1.915
 OR { 6785}
     (segid "    " and resid "5   " and name "HG12")
     (segid "    " and resid "5   " and name "HB  ")
 OR { 6785}
     (segid "    " and resid "5   " and name "HG13")
     (segid "    " and resid "5   " and name "HB  ")
 ASSI { 8045}
     (segid "    " and resid "5   " and name "HG13")
     (segid "    " and resid "69  " and name "HB2 ")
      5.000     5.000     0.000 peak  8045 weight  0.10000E+01 volume -0.10170E+01 ppm1      0.688 ppm2      1.059
 OR { 8045}
     (segid "    " and resid "5   " and name "HG12")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 8045}
     (segid "    " and resid "5   " and name "HG11")
     (segid "    " and resid "69  " and name "HB2 ")
 ASSI { 6957}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "13  " and name "HG  ")
      6.000     6.000     0.000 peak  6957 weight  0.10000E+01 volume  0.28100E+00 ppm1      1.142 ppm2      1.696
 OR { 6957}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "13  " and name "HG  ")
 OR { 6957}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "13  " and name "HG  ")
 ASSI { 8005}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "42  " and name "HB2 ")
      6.000     6.000     0.000 peak  8005 weight  0.10000E+01 volume  0.25300E+00 ppm1      0.933 ppm2      1.545
 OR { 8005}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "42  " and name "HB2 ")
 OR { 8005}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "42  " and name "HB2 ")
 ASSI { 6969}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "12  " and name "HB  ")
      2.700     2.700     0.000 peak  6969 weight  0.10000E+01 volume  0.35850E+01 ppm1      1.081 ppm2      3.967
 OR { 6969}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "14  " and name "HB  ")
 OR { 6969}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "14  " and name "HB  ")
 OR { 6969}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "14  " and name "HB  ")
 OR { 6969}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "12  " and name "HB  ")
 OR { 6969}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "12  " and name "HB  ")
 OR { 6969}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "14  " and name "HB  ")
 OR { 6969}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "14  " and name "HB  ")
 OR { 6969}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "14  " and name "HB  ")
 OR { 6969}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "12  " and name "HB  ")
 OR { 6969}
     (segid "    " and resid "14  " and name "HG22")
     (segid "    " and resid "12  " and name "HB  ")
 OR { 6969}
     (segid "    " and resid "14  " and name "HG21")
     (segid "    " and resid "12  " and name "HB  ")
 ASSI { 7643}
     (segid "    " and resid "15  " and name "HG12")
     (segid "    " and resid "29  " and name "HG2 ")
      5.000     5.000     0.000 peak  7643 weight  0.10000E+01 volume  0.63700E+00 ppm1      0.721 ppm2      1.603
 OR { 7643}
     (segid "    " and resid "15  " and name "HG11")
     (segid "    " and resid "29  " and name "HG2 ")
 OR { 7643}
     (segid "    " and resid "15  " and name "HG13")
     (segid "    " and resid "29  " and name "HG2 ")
 ASSI { 6798}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "6   " and name "HA  ")
      5.000     5.000     0.000 peak  6798 weight  0.10000E+01 volume -0.45600E+00 ppm1      1.049 ppm2      5.207
 OR { 6798}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "6   " and name "HA  ")
 OR { 6798}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "6   " and name "HA  ")
 OR { 6798}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 6798}
     (segid "    " and resid "14  " and name "HG23")
     (segid "    " and resid "6   " and name "HA  ")
 OR { 6798}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 6798}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "16  " and name "HA  ")
 OR { 6798}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "16  " and name "HA  ")
 ASSI { 6843}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "6   " and name "HE1 ")
      5.000     5.000     0.000 peak  6843 weight  0.10000E+01 volume -0.35300E+00 ppm1      1.039 ppm2      2.893
 OR { 6843}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "6   " and name "HE1 ")
 OR { 6843}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "6   " and name "HE2 ")
 OR { 6843}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "6   " and name "HE2 ")
 OR { 6843}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "6   " and name "HE1 ")
 OR { 6843}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "6   " and name "HE2 ")
 OR { 6843}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 6843}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 6843}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 6937}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "1   " and name "HE3 ")
      6.000     6.000     0.000 peak  6937 weight  0.10000E+01 volume  0.18600E+00 ppm1      0.546 ppm2      1.684
 OR { 6937}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 6937}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 6937}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 6937}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 6937}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 6937}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 6937}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 6937}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "1   " and name "HE2 ")
 ASSI { 8311}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "56  " and name "HB1 ")
      5.000     5.000     0.000 peak  8311 weight  0.10000E+01 volume -0.73500E+00 ppm1      0.550 ppm2      1.283
 OR { 8311}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "56  " and name "HB1 ")
 OR { 8311}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "56  " and name "HB1 ")
 ASSI { 8187}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "50  " and name "HB2 ")
      5.000     5.000     0.000 peak  8187 weight  0.10000E+01 volume -0.44000E+00 ppm1      0.038 ppm2      1.477
 OR { 8187}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "50  " and name "HB2 ")
 OR { 8187}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "50  " and name "HB2 ")
 ASSI { 7555}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "26  " and name "HB2 ")
      5.000     5.000     0.000 peak  7555 weight  0.10000E+01 volume -0.51300E+00 ppm1      0.551 ppm2      1.239
 OR { 7555}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "26  " and name "HB2 ")
 OR { 7555}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "26  " and name "HB2 ")
 ASSI { 8301}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "56  " and name "HB2 ")
      5.000     5.000     0.000 peak  8301 weight  0.10000E+01 volume -0.53800E+00 ppm1      0.552 ppm2      2.007
 OR { 8301}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "56  " and name "HB2 ")
 OR { 8301}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "56  " and name "HB2 ")
 ASSI { 7471}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "22  " and name "HA  ")
      3.300     3.300     0.000 peak  7471 weight  0.10000E+01 volume  0.23790E+01 ppm1      1.228 ppm2      4.943
 OR { 7471}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "55  " and name "HA  ")
 OR { 7471}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "55  " and name "HA  ")
 OR { 7471}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "55  " and name "HA  ")
 OR { 7471}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "55  " and name "HA  ")
 OR { 7471}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "55  " and name "HA  ")
 OR { 7471}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "55  " and name "HA  ")
 OR { 7471}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "22  " and name "HA  ")
 OR { 7471}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "22  " and name "HA  ")
 OR { 7471}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "22  " and name "HA  ")
 OR { 7471}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "22  " and name "HA  ")
 OR { 7471}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "22  " and name "HA  ")
 ASSI { 8201}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "50  " and name "HG  ")
      3.300     3.300     0.000 peak  8201 weight  0.10000E+01 volume  0.17350E+01 ppm1      0.037 ppm2      1.051
 OR { 8201}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "50  " and name "HG  ")
 OR { 8201}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "50  " and name "HG  ")
 ASSI { 8179}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "50  " and name "HA  ")
      3.300     3.300     0.000 peak  8179 weight  0.10000E+01 volume -0.16190E+01 ppm1      0.038 ppm2      3.863
 OR { 8179}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "50  " and name "HA  ")
 OR { 8179}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "50  " and name "HA  ")
 ASSI { 7546}
     (segid "    " and resid "56  " and name "HD22")
     (segid "    " and resid "26  " and name "HB1 ")
      5.000     5.000     0.000 peak  7546 weight  0.10000E+01 volume -0.37500E+00 ppm1      0.546 ppm2      2.342
 OR { 7546}
     (segid "    " and resid "56  " and name "HD23")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 7546}
     (segid "    " and resid "56  " and name "HD21")
     (segid "    " and resid "26  " and name "HB1 ")
 ASSI { 8205}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "50  " and name "HD12")
      2.700     2.700     0.000 peak  8205 weight  0.10000E+01 volume  0.36960E+01 ppm1      0.037 ppm2      0.457
 OR { 8205}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "50  " and name "HD11")
 OR { 8205}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "50  " and name "HD12")
 OR { 8205}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "50  " and name "HD12")
 OR { 8205}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "50  " and name "HD11")
 OR { 8205}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "50  " and name "HD13")
 OR { 8205}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "50  " and name "HD13")
 OR { 8205}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "50  " and name "HD13")
 OR { 8205}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "50  " and name "HD11")
 ASSI { 8195}
     (segid "    " and resid "50  " and name "HD21")
     (segid "    " and resid "50  " and name "HB1 ")
      5.000     5.000     0.000 peak  8195 weight  0.10000E+01 volume -0.73700E+00 ppm1      0.037 ppm2      1.116
 OR { 8195}
     (segid "    " and resid "50  " and name "HD22")
     (segid "    " and resid "50  " and name "HB1 ")
 OR { 8195}
     (segid "    " and resid "50  " and name "HD23")
     (segid "    " and resid "50  " and name "HB1 ")
 ASSI { 7464}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "20  " and name "HB1 ")
      6.000     6.000     0.000 peak  7464 weight  0.10000E+01 volume  0.12800E+00 ppm1      1.198 ppm2      3.797
 OR { 7464}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "20  " and name "HB1 ")
 OR { 7464}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "20  " and name "HB1 ")
 ASSI { 8275}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "54  " and name "HB1 ")
      6.000     6.000     0.000 peak  8275 weight  0.10000E+01 volume  0.15000E+00 ppm1      1.197 ppm2      2.320
 OR { 8275}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 8275}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 8275}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 8275}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 8275}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "54  " and name "HB2 ")
 ASSI { 7557}
     (segid "    " and resid "26  " and name "HD12")
     (segid "    " and resid "26  " and name "HB2 ")
      5.000     5.000     0.000 peak  7557 weight  0.10000E+01 volume -0.12540E+01 ppm1      0.754 ppm2      1.270
 OR { 7557}
     (segid "    " and resid "26  " and name "HD13")
     (segid "    " and resid "26  " and name "HB2 ")
 OR { 7557}
     (segid "    " and resid "26  " and name "HD11")
     (segid "    " and resid "26  " and name "HB2 ")
 ASSI { 7548}
     (segid "    " and resid "26  " and name "HD11")
     (segid "    " and resid "26  " and name "HB1 ")
      5.000     5.000     0.000 peak  7548 weight  0.10000E+01 volume -0.76100E+00 ppm1      0.752 ppm2      2.363
 OR { 7548}
     (segid "    " and resid "26  " and name "HD13")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 7548}
     (segid "    " and resid "26  " and name "HD12")
     (segid "    " and resid "26  " and name "HB1 ")
 ASSI { 8436}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "61  " and name "HG  ")
      5.000     5.000     0.000 peak  8436 weight  0.10000E+01 volume  0.11050E+01 ppm1     -0.095 ppm2      1.074
 OR { 8436}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "61  " and name "HG  ")
 OR { 8436}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "61  " and name "HG  ")
 ASSI { 8429}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "61  " and name "HB1 ")
      5.000     5.000     0.000 peak  8429 weight  0.10000E+01 volume -0.52800E+00 ppm1     -0.092 ppm2      0.965
 OR { 8429}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "61  " and name "HB1 ")
 OR { 8429}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "61  " and name "HB1 ")
 ASSI { 8424}
     (segid "    " and resid "61  " and name "HD22")
     (segid "    " and resid "61  " and name "HB2 ")
      5.000     5.000     0.000 peak  8424 weight  0.10000E+01 volume -0.41100E+00 ppm1     -0.092 ppm2      1.301
 OR { 8424}
     (segid "    " and resid "61  " and name "HD21")
     (segid "    " and resid "61  " and name "HB2 ")
 OR { 8424}
     (segid "    " and resid "61  " and name "HD23")
     (segid "    " and resid "61  " and name "HB2 ")
 ASSI { 6863}
     (segid "    " and resid "8   " and name "HD23")
     (segid "    " and resid "8   " and name "HG  ")
      5.000     5.000     0.000 peak  6863 weight  0.10000E+01 volume  0.13610E+01 ppm1      0.985 ppm2      1.851
 OR { 6863}
     (segid "    " and resid "8   " and name "HD22")
     (segid "    " and resid "8   " and name "HG  ")
 OR { 6863}
     (segid "    " and resid "8   " and name "HD21")
     (segid "    " and resid "8   " and name "HG  ")
 ASSI { 2261}
     (segid "    " and resid "8   " and name "HD23")
     (segid "    " and resid "8   " and name "HA  ")
      3.300     3.300     0.000 peak  2261 weight  0.10000E+01 volume -0.21250E+01 ppm1      0.985 ppm2      4.310
 OR { 2261}
     (segid "    " and resid "8   " and name "HD21")
     (segid "    " and resid "8   " and name "HA  ")
 OR { 2261}
     (segid "    " and resid "8   " and name "HD22")
     (segid "    " and resid "8   " and name "HA  ")
 ASSI { 6853}
     (segid "    " and resid "8   " and name "HD22")
     (segid "    " and resid "8   " and name "HB1 ")
      5.000     5.000     0.000 peak  6853 weight  0.10000E+01 volume -0.80300E+00 ppm1      0.986 ppm2      1.898
 OR { 6853}
     (segid "    " and resid "8   " and name "HD21")
     (segid "    " and resid "8   " and name "HB1 ")
 OR { 6853}
     (segid "    " and resid "8   " and name "HD23")
     (segid "    " and resid "8   " and name "HB1 ")
 ASSI { 6858}
     (segid "    " and resid "8   " and name "HD23")
     (segid "    " and resid "8   " and name "HB2 ")
      5.000     5.000     0.000 peak  6858 weight  0.10000E+01 volume -0.11350E+01 ppm1      0.984 ppm2      1.764
 OR { 6858}
     (segid "    " and resid "8   " and name "HD21")
     (segid "    " and resid "8   " and name "HB2 ")
 OR { 6858}
     (segid "    " and resid "8   " and name "HD22")
     (segid "    " and resid "8   " and name "HB2 ")
 ASSI { 4096}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "41  " and name "HG1 ")
      5.000     5.000     0.000 peak  4096 weight  0.10000E+01 volume -0.30600E+00 ppm1      0.834 ppm2      2.519
 OR { 4096}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "41  " and name "HG1 ")
 OR { 4096}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "41  " and name "HG1 ")
 OR { 4096}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "41  " and name "HG1 ")
 OR { 4096}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "41  " and name "HG1 ")
 ASSI { 6849}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "55  " and name "HA  ")
      6.000     6.000     0.000 peak  6849 weight  0.10000E+01 volume  0.23700E+00 ppm1      1.009 ppm2      4.952
 OR { 6849}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "55  " and name "HA  ")
 OR { 6849}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "55  " and name "HA  ")
 ASSI { 8047}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "69  " and name "HB2 ")
      3.300     3.300     0.000 peak  8047 weight  0.10000E+01 volume -0.15450E+01 ppm1      0.807 ppm2      1.069
 OR { 8047}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 8047}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 8047}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "43  " and name "HB1 ")
 OR { 8047}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "43  " and name "HB1 ")
 OR { 8047}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "43  " and name "HB1 ")
 OR { 8047}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 8047}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 8047}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 8047}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "43  " and name "HB1 ")
 OR { 8047}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "43  " and name "HB1 ")
 OR { 8047}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "43  " and name "HB1 ")
 ASSI { 7961}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "41  " and name "HB1 ")
      3.300     3.300     0.000 peak  7961 weight  0.10000E+01 volume  0.20620E+01 ppm1      0.829 ppm2      1.896
 OR { 7961}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "41  " and name "HB1 ")
 OR { 7961}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "41  " and name "HB1 ")
 OR { 7961}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "41  " and name "HB2 ")
 OR { 7961}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "41  " and name "HB2 ")
 OR { 7961}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "41  " and name "HB2 ")
 OR { 7961}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "41  " and name "HB2 ")
 OR { 7961}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "41  " and name "HB1 ")
 OR { 7961}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "41  " and name "HB2 ")
 OR { 7961}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "41  " and name "HB1 ")
 OR { 7961}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "41  " and name "HB2 ")
 OR { 7961}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "41  " and name "HB1 ")
 ASSI { 6898}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "41  " and name "HG2 ")
      5.000     5.000     0.000 peak  6898 weight  0.10000E+01 volume -0.14850E+01 ppm1      0.816 ppm2      1.665
 OR { 6898}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "41  " and name "HG2 ")
 OR { 6898}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "41  " and name "HG2 ")
 OR { 6898}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "41  " and name "HG2 ")
 OR { 6898}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "41  " and name "HG2 ")
 ASSI { 6941}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "69  " and name "HB1 ")
      3.300     3.300     0.000 peak  6941 weight  0.10000E+01 volume -0.24310E+01 ppm1      0.802 ppm2      1.690
 OR { 6941}
     (segid "    " and resid "13  " and name "HD12")
     (segid "    " and resid "13  " and name "HB1 ")
 OR { 6941}
     (segid "    " and resid "13  " and name "HD13")
     (segid "    " and resid "13  " and name "HB1 ")
 OR { 6941}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 6941}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 6941}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 6941}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 6941}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 6941}
     (segid "    " and resid "13  " and name "HD11")
     (segid "    " and resid "13  " and name "HB1 ")
 OR { 6941}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "43  " and name "HB2 ")
 OR { 6941}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "43  " and name "HB2 ")
 OR { 6941}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "43  " and name "HB2 ")
 OR { 6941}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "43  " and name "HB2 ")
 OR { 6941}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "43  " and name "HB2 ")
 OR { 6941}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "43  " and name "HB2 ")
 OR { 6941}
     (segid "    " and resid "13  " and name "HD13")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 6941}
     (segid "    " and resid "13  " and name "HD12")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 6941}
     (segid "    " and resid "13  " and name "HD11")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 6941}
     (segid "    " and resid "69  " and name "HD11")
     (segid "    " and resid "13  " and name "HB1 ")
 OR { 6941}
     (segid "    " and resid "69  " and name "HD13")
     (segid "    " and resid "13  " and name "HB1 ")
 OR { 6941}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "13  " and name "HB1 ")
 OR { 6941}
     (segid "    " and resid "69  " and name "HD12")
     (segid "    " and resid "13  " and name "HB1 ")
 OR { 6941}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "13  " and name "HB1 ")
 OR { 6941}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "13  " and name "HB1 ")
 OR { 6941}
     (segid "    " and resid "13  " and name "HD12")
     (segid "    " and resid "43  " and name "HB2 ")
 OR { 6941}
     (segid "    " and resid "13  " and name "HD13")
     (segid "    " and resid "43  " and name "HB2 ")
 OR { 6941}
     (segid "    " and resid "13  " and name "HD11")
     (segid "    " and resid "43  " and name "HB2 ")
 ASSI { 8182}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "50  " and name "HA  ")
      6.000     6.000     0.000 peak  8182 weight  0.10000E+01 volume -0.19000E+00 ppm1      1.013 ppm2      3.871
 OR { 8182}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "50  " and name "HA  ")
 OR { 8182}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "50  " and name "HA  ")
 ASSI { 8545}
     (segid "    " and resid "63  " and name "HG2 ")
     (segid "    " and resid "64  " and name "HG1 ")
      5.000     5.000     0.000 peak  8545 weight  0.10000E+01 volume -0.47000E+00 ppm1      1.483 ppm2      2.177
 OR { 8545}
     (segid "    " and resid "63  " and name "HG1 ")
     (segid "    " and resid "64  " and name "HG1 ")
 OR { 8545}
     (segid "    " and resid "63  " and name "HG1 ")
     (segid "    " and resid "64  " and name "HG2 ")
 OR { 8545}
     (segid "    " and resid "63  " and name "HG2 ")
     (segid "    " and resid "64  " and name "HG2 ")
 ASSI { 8518}
     (segid "    " and resid "63  " and name "HG1 ")
     (segid "    " and resid "63  " and name "HD1 ")
      2.700     2.700     0.000 peak  8518 weight  0.10000E+01 volume  0.58890E+01 ppm1      1.477 ppm2      1.735
 OR { 8518}
     (segid "    " and resid "63  " and name "HG2 ")
     (segid "    " and resid "63  " and name "HD1 ")
 OR { 8518}
     (segid "    " and resid "63  " and name "HG1 ")
     (segid "    " and resid "63  " and name "HD2 ")
 OR { 8518}
     (segid "    " and resid "63  " and name "HG2 ")
     (segid "    " and resid "63  " and name "HD2 ")
 ASSI { 7539}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "56  " and name "HA  ")
      5.000     5.000     0.000 peak  7539 weight  0.10000E+01 volume -0.30700E+00 ppm1      1.013 ppm2      4.059
 OR { 7539}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 7539}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "56  " and name "HA  ")
 OR { 7539}
     (segid "    " and resid "23  " and name "HG22")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 7539}
     (segid "    " and resid "23  " and name "HG21")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 7539}
     (segid "    " and resid "23  " and name "HG23")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 7789}
     (segid "    " and resid "13  " and name "HD12")
     (segid "    " and resid "34  " and name "HG2 ")
      5.000     5.000     0.000 peak  7789 weight  0.10000E+01 volume -0.59000E+00 ppm1      0.804 ppm2      2.122
 OR { 7789}
     (segid "    " and resid "13  " and name "HD13")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 7789}
     (segid "    " and resid "13  " and name "HD13")
     (segid "    " and resid "34  " and name "HG2 ")
 OR { 7789}
     (segid "    " and resid "13  " and name "HD11")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 7789}
     (segid "    " and resid "13  " and name "HD11")
     (segid "    " and resid "34  " and name "HG2 ")
 OR { 7789}
     (segid "    " and resid "13  " and name "HD12")
     (segid "    " and resid "34  " and name "HG1 ")
 ASSI { 8149}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "48  " and name "HA  ")
      5.000     5.000     0.000 peak  8149 weight  0.10000E+01 volume -0.34900E+00 ppm1      1.547 ppm2      4.645
 OR { 8149}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "48  " and name "HA  ")
 ASSI { 6801}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "6   " and name "HA  ")
      5.000     5.000     0.000 peak  6801 weight  0.10000E+01 volume -0.34700E+00 ppm1      1.415 ppm2      5.209
 ASSI { 6994}
     (segid "    " and resid "6   " and name "HG2 ")
     (segid "    " and resid "6   " and name "HA  ")
      5.000     5.000     0.000 peak  6994 weight  0.10000E+01 volume -0.33000E+00 ppm1      1.245 ppm2      5.212
 ASSI { 6985}
     (segid "    " and resid "17  " and name "HD11")
     (segid "    " and resid "15  " and name "HB  ")
      5.000     5.000     0.000 peak  6985 weight  0.10000E+01 volume -0.47900E+00 ppm1      0.830 ppm2      1.771
 OR { 6985}
     (segid "    " and resid "17  " and name "HD12")
     (segid "    " and resid "15  " and name "HB  ")
 OR { 6985}
     (segid "    " and resid "17  " and name "HD13")
     (segid "    " and resid "15  " and name "HB  ")
 ASSI { 6812}
     (segid "    " and resid "6   " and name "HG2 ")
     (segid "    " and resid "6   " and name "HB1 ")
      5.000     5.000     0.000 peak  6812 weight  0.10000E+01 volume -0.42100E+00 ppm1      1.242 ppm2      1.381
 ASSI { 6894}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "11  " and name "HB2 ")
      3.300     3.300     0.000 peak  6894 weight  0.10000E+01 volume -0.19680E+01 ppm1      1.397 ppm2      1.736
 OR { 6894}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "11  " and name "HB1 ")
 ASSI { 6912}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "11  " and name "HD1 ")
      2.700     2.700     0.000 peak  6912 weight  0.10000E+01 volume  0.65960E+01 ppm1      1.411 ppm2      1.608
 OR { 6912}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 6912}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "6   " and name "HD2 ")
 OR { 6912}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "6   " and name "HD1 ")
 OR { 6912}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 6912}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "6   " and name "HD2 ")
 OR { 6912}
     (segid "    " and resid "6   " and name "HG1 ")
     (segid "    " and resid "11  " and name "HD1 ")
 OR { 6912}
     (segid "    " and resid "11  " and name "HG1 ")
     (segid "    " and resid "6   " and name "HD1 ")
 ASSI { 6893}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "11  " and name "HB2 ")
      5.000     5.000     0.000 peak  6893 weight  0.10000E+01 volume -0.11630E+01 ppm1      1.235 ppm2      1.730
 ASSI { 6911}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "11  " and name "HD2 ")
      3.300     3.300     0.000 peak  6911 weight  0.10000E+01 volume  0.23180E+01 ppm1      1.231 ppm2      1.602
 OR { 6911}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "11  " and name "HD1 ")
 OR { 6911}
     (segid "    " and resid "6   " and name "HG2 ")
     (segid "    " and resid "6   " and name "HD2 ")
 OR { 6911}
     (segid "    " and resid "6   " and name "HG2 ")
     (segid "    " and resid "6   " and name "HD1 ")
 OR { 6911}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "6   " and name "HD1 ")
 OR { 6911}
     (segid "    " and resid "6   " and name "HG2 ")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 6911}
     (segid "    " and resid "6   " and name "HG2 ")
     (segid "    " and resid "11  " and name "HD1 ")
 OR { 6911}
     (segid "    " and resid "11  " and name "HG2 ")
     (segid "    " and resid "6   " and name "HD2 ")
 ASSI { 8736}
     (segid "    " and resid "73  " and name "HD13")
     (segid "    " and resid "73  " and name "HB1 ")
      3.300     3.300     0.000 peak  8736 weight  0.10000E+01 volume -0.17870E+01 ppm1      0.957 ppm2      1.597
 OR { 8736}
     (segid "    " and resid "73  " and name "HD12")
     (segid "    " and resid "73  " and name "HB1 ")
 OR { 8736}
     (segid "    " and resid "73  " and name "HD11")
     (segid "    " and resid "73  " and name "HB2 ")
 OR { 8736}
     (segid "    " and resid "71  " and name "HD11")
     (segid "    " and resid "71  " and name "HB2 ")
 OR { 8736}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "71  " and name "HB2 ")
 OR { 8736}
     (segid "    " and resid "73  " and name "HD11")
     (segid "    " and resid "73  " and name "HB1 ")
 OR { 8736}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "71  " and name "HB2 ")
 OR { 8736}
     (segid "    " and resid "73  " and name "HD13")
     (segid "    " and resid "73  " and name "HB2 ")
 OR { 8736}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "71  " and name "HB1 ")
 OR { 8736}
     (segid "    " and resid "71  " and name "HD11")
     (segid "    " and resid "71  " and name "HB1 ")
 OR { 8736}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "71  " and name "HB1 ")
 OR { 8736}
     (segid "    " and resid "73  " and name "HD12")
     (segid "    " and resid "73  " and name "HB2 ")
 OR { 8736}
     (segid "    " and resid "73  " and name "HD12")
     (segid "    " and resid "71  " and name "HB1 ")
 OR { 8736}
     (segid "    " and resid "73  " and name "HD13")
     (segid "    " and resid "71  " and name "HB2 ")
 OR { 8736}
     (segid "    " and resid "73  " and name "HD11")
     (segid "    " and resid "71  " and name "HB1 ")
 OR { 8736}
     (segid "    " and resid "73  " and name "HD12")
     (segid "    " and resid "71  " and name "HB2 ")
 OR { 8736}
     (segid "    " and resid "73  " and name "HD13")
     (segid "    " and resid "71  " and name "HB1 ")
 OR { 8736}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "73  " and name "HB2 ")
 OR { 8736}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "73  " and name "HB2 ")
 OR { 8736}
     (segid "    " and resid "71  " and name "HD11")
     (segid "    " and resid "73  " and name "HB2 ")
 OR { 8736}
     (segid "    " and resid "73  " and name "HD11")
     (segid "    " and resid "71  " and name "HB2 ")
 OR { 8736}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "73  " and name "HB1 ")
 OR { 8736}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "73  " and name "HB1 ")
 OR { 8736}
     (segid "    " and resid "71  " and name "HD11")
     (segid "    " and resid "73  " and name "HB1 ")
 ASSI { 8826}
     (segid "    " and resid "73  " and name "HD13")
     (segid "    " and resid "73  " and name "HA  ")
      6.000     6.000     0.000 peak  8826 weight  0.10000E+01 volume -0.27700E+00 ppm1      0.923 ppm2      4.384
 OR { 8826}
     (segid "    " and resid "73  " and name "HD12")
     (segid "    " and resid "73  " and name "HA  ")
 OR { 8826}
     (segid "    " and resid "73  " and name "HD11")
     (segid "    " and resid "73  " and name "HA  ")
 ASSI { 6940}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "1   " and name "HE1 ")
      5.000     5.000     0.000 peak  6940 weight  0.10000E+01 volume  0.50600E+00 ppm1      0.723 ppm2      1.674
 OR { 6940}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 6940}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 6940}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 6940}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 6940}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 6940}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 6940}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 6940}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "1   " and name "HE1 ")
 ASSI { 6859}
     (segid "    " and resid "8   " and name "HD12")
     (segid "    " and resid "8   " and name "HB2 ")
      5.000     5.000     0.000 peak  6859 weight  0.10000E+01 volume -0.14230E+01 ppm1      1.038 ppm2      1.777
 OR { 6859}
     (segid "    " and resid "8   " and name "HD13")
     (segid "    " and resid "8   " and name "HB2 ")
 OR { 6859}
     (segid "    " and resid "8   " and name "HD11")
     (segid "    " and resid "8   " and name "HB2 ")
 ASSI { 6787}
     (segid "    " and resid "13  " and name "HD23")
     (segid "    " and resid "5   " and name "HB  ")
      5.000     5.000     0.000 peak  6787 weight  0.10000E+01 volume -0.91200E+00 ppm1      0.788 ppm2      1.913
 OR { 6787}
     (segid "    " and resid "13  " and name "HD22")
     (segid "    " and resid "5   " and name "HB  ")
 OR { 6787}
     (segid "    " and resid "13  " and name "HD21")
     (segid "    " and resid "5   " and name "HB  ")
 ASSI { 8938}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "1   " and name "HG1 ")
      5.000     5.000     0.000 peak  8938 weight  0.10000E+01 volume  0.45300E+00 ppm1      0.735 ppm2      2.515
 OR { 8938}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "1   " and name "HG1 ")
 OR { 8938}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "1   " and name "HG1 ")
 ASSI { 7621}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HA  ")
      5.000     5.000     0.000 peak  7621 weight  0.10000E+01 volume -0.52000E+00 ppm1      1.601 ppm2      4.230
 ASSI { 6852}
     (segid "    " and resid "8   " and name "HD11")
     (segid "    " and resid "8   " and name "HB1 ")
      5.000     5.000     0.000 peak  6852 weight  0.10000E+01 volume -0.67900E+00 ppm1      1.036 ppm2      1.912
 OR { 6852}
     (segid "    " and resid "8   " and name "HD12")
     (segid "    " and resid "8   " and name "HB1 ")
 OR { 6852}
     (segid "    " and resid "8   " and name "HD13")
     (segid "    " and resid "8   " and name "HB1 ")
 ASSI { 8188}
     (segid "    " and resid "50  " and name "HD12")
     (segid "    " and resid "50  " and name "HB2 ")
      5.000     5.000     0.000 peak  8188 weight  0.10000E+01 volume -0.91400E+00 ppm1      0.475 ppm2      1.470
 OR { 8188}
     (segid "    " and resid "50  " and name "HD13")
     (segid "    " and resid "50  " and name "HB2 ")
 OR { 8188}
     (segid "    " and resid "50  " and name "HD11")
     (segid "    " and resid "50  " and name "HB2 ")
 ASSI { 6755}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "3   " and name "HB2 ")
      6.000     6.000     0.000 peak  6755 weight  0.10000E+01 volume -0.29800E+00 ppm1      0.725 ppm2      1.377
 OR { 6755}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "3   " and name "HB2 ")
 OR { 6755}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "3   " and name "HB2 ")
 ASSI { 8947}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "1   " and name "HG2 ")
      5.000     5.000     0.000 peak  8947 weight  0.10000E+01 volume  0.43700E+00 ppm1      0.726 ppm2      2.148
 OR { 8947}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 8947}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "1   " and name "HG2 ")
 ASSI { 6864}
     (segid "    " and resid "8   " and name "HD11")
     (segid "    " and resid "8   " and name "HG  ")
      5.000     5.000     0.000 peak  6864 weight  0.10000E+01 volume  0.13330E+01 ppm1      1.015 ppm2      1.859
 OR { 6864}
     (segid "    " and resid "8   " and name "HD12")
     (segid "    " and resid "8   " and name "HG  ")
 OR { 6864}
     (segid "    " and resid "8   " and name "HD13")
     (segid "    " and resid "8   " and name "HG  ")
 ASSI { 6758}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "3   " and name "HB1 ")
      5.000     5.000     0.000 peak  6758 weight  0.10000E+01 volume -0.11180E+01 ppm1      0.723 ppm2      1.131
 OR { 6758}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "3   " and name "HB1 ")
 OR { 6758}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "3   " and name "HB1 ")
 ASSI { 7624}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HA  ")
      5.000     5.000     0.000 peak  7624 weight  0.10000E+01 volume -0.51400E+00 ppm1      1.700 ppm2      4.232
 ASSI { 2262}
     (segid "    " and resid "8   " and name "HD11")
     (segid "    " and resid "8   " and name "HA  ")
      5.000     5.000     0.000 peak  2262 weight  0.10000E+01 volume -0.30700E+00 ppm1      1.038 ppm2      4.301
 OR { 2262}
     (segid "    " and resid "8   " and name "HD13")
     (segid "    " and resid "8   " and name "HA  ")
 OR { 2262}
     (segid "    " and resid "8   " and name "HD12")
     (segid "    " and resid "8   " and name "HA  ")
 ASSI { 8430}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "61  " and name "HB1 ")
      5.000     5.000     0.000 peak  8430 weight  0.10000E+01 volume -0.62700E+00 ppm1      0.546 ppm2      0.962
 OR { 8430}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "61  " and name "HB1 ")
 OR { 8430}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "61  " and name "HB1 ")
 ASSI { 8610}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "67  " and name "HD12")
      5.000     5.000     0.000 peak  8610 weight  0.10000E+01 volume  0.82500E+00 ppm1      0.538 ppm2      0.651
 OR { 8610}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "67  " and name "HD12")
 OR { 8610}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "67  " and name "HD11")
 OR { 8610}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "67  " and name "HD13")
 OR { 8610}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "67  " and name "HD12")
 OR { 8610}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "67  " and name "HD13")
 OR { 8610}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "67  " and name "HD11")
 OR { 8610}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "67  " and name "HD13")
 OR { 8610}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "67  " and name "HD11")
 ASSI { 8302}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "56  " and name "HB2 ")
      6.000     6.000     0.000 peak  8302 weight  0.10000E+01 volume -0.13100E+00 ppm1      0.546 ppm2      2.010
 OR { 8302}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "56  " and name "HB2 ")
 OR { 8302}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "56  " and name "HB2 ")
 ASSI { 7953}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "41  " and name "HA  ")
      6.000     6.000     0.000 peak  7953 weight  0.10000E+01 volume -0.22400E+00 ppm1      0.746 ppm2      4.135
 OR { 7953}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "41  " and name "HA  ")
 OR { 7953}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "41  " and name "HA  ")
 ASSI { 8425}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "61  " and name "HB2 ")
      3.300     3.300     0.000 peak  8425 weight  0.10000E+01 volume -0.15260E+01 ppm1      0.543 ppm2      1.307
 OR { 8425}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "61  " and name "HB2 ")
 OR { 8425}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "61  " and name "HB2 ")
 ASSI { 8653}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "69  " and name "HB2 ")
      5.000     5.000     0.000 peak  8653 weight  0.10000E+01 volume -0.10190E+01 ppm1      0.751 ppm2      1.066
 OR { 8653}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 8653}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "69  " and name "HB2 ")
 ASSI { 8310}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "56  " and name "HB1 ")
      5.000     5.000     0.000 peak  8310 weight  0.10000E+01 volume -0.74000E+00 ppm1      0.546 ppm2      1.281
 OR { 8310}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "56  " and name "HB1 ")
 OR { 8310}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "56  " and name "HB1 ")
 ASSI { 6939}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "1   " and name "HE1 ")
      5.000     5.000     0.000 peak  6939 weight  0.10000E+01 volume  0.10860E+01 ppm1      0.692 ppm2      1.687
 OR { 6939}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 6939}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 6939}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 6939}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 6939}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 6939}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 6939}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 6939}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "1   " and name "HE3 ")
 ASSI { 8546}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "64  " and name "HG1 ")
      2.700     2.700     0.000 peak  8546 weight  0.10000E+01 volume -0.37140E+01 ppm1      2.402 ppm2      2.177
 OR { 8546}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "64  " and name "HG1 ")
 OR { 8546}
     (segid "    " and resid "64  " and name "HB2 ")
     (segid "    " and resid "64  " and name "HG2 ")
 OR { 8546}
     (segid "    " and resid "64  " and name "HB1 ")
     (segid "    " and resid "64  " and name "HG2 ")
 ASSI { 8945}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "1   " and name "HG2 ")
      6.000     6.000     0.000 peak  8945 weight  0.10000E+01 volume  0.26800E+00 ppm1      0.572 ppm2      2.134
 OR { 8945}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 8945}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "1   " and name "HG2 ")
 ASSI { 8332}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "56  " and name "HD23")
      3.300     3.300     0.000 peak  8332 weight  0.10000E+01 volume  0.21340E+01 ppm1      0.683 ppm2      0.539
 OR { 8332}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "56  " and name "HD21")
 OR { 8332}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "56  " and name "HD21")
 OR { 8332}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "56  " and name "HD22")
 OR { 8332}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "56  " and name "HD23")
 OR { 8332}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "56  " and name "HD22")
 OR { 8332}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "56  " and name "HD23")
 OR { 8332}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "56  " and name "HD21")
 OR { 8332}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "56  " and name "HD22")
 ASSI { 7365}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "17  " and name "HB2 ")
      5.000     5.000     0.000 peak  7365 weight  0.10000E+01 volume -0.97900E+00 ppm1      0.695 ppm2      1.285
 OR { 7365}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "17  " and name "HB2 ")
 OR { 7365}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "17  " and name "HB2 ")
 ASSI { 7364}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "17  " and name "HB2 ")
      5.000     5.000     0.000 peak  7364 weight  0.10000E+01 volume -0.30600E+00 ppm1      0.575 ppm2      1.276
 OR { 7364}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "17  " and name "HB2 ")
 OR { 7364}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "17  " and name "HB2 ")
 ASSI { 6754}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "3   " and name "HB2 ")
      5.000     5.000     0.000 peak  6754 weight  0.10000E+01 volume -0.56400E+00 ppm1      0.574 ppm2      1.379
 OR { 6754}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "3   " and name "HB2 ")
 OR { 6754}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "3   " and name "HB2 ")
 ASSI { 7358}
     (segid "    " and resid "56  " and name "HD11")
     (segid "    " and resid "17  " and name "HB1 ")
      5.000     5.000     0.000 peak  7358 weight  0.10000E+01 volume -0.80100E+00 ppm1      0.696 ppm2      1.882
 OR { 7358}
     (segid "    " and resid "56  " and name "HD13")
     (segid "    " and resid "17  " and name "HB1 ")
 OR { 7358}
     (segid "    " and resid "56  " and name "HD12")
     (segid "    " and resid "17  " and name "HB1 ")
 ASSI { 6751}
     (segid "    " and resid "3   " and name "HG  ")
     (segid "    " and resid "3   " and name "HA  ")
      6.000     6.000     0.000 peak  6751 weight  0.10000E+01 volume -0.14400E+00 ppm1      1.402 ppm2      4.443
 ASSI { 8033}
     (segid "    " and resid "43  " and name "HG  ")
     (segid "    " and resid "43  " and name "HA  ")
      5.000     5.000     0.000 peak  8033 weight  0.10000E+01 volume -0.39700E+00 ppm1      1.498 ppm2      5.281
 ASSI { 6762}
     (segid "    " and resid "3   " and name "HG  ")
     (segid "    " and resid "3   " and name "HB1 ")
      5.000     5.000     0.000 peak  6762 weight  0.10000E+01 volume -0.12610E+01 ppm1      1.410 ppm2      1.131
 ASSI { 7606}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HD2 ")
      2.700     2.700     0.000 peak  7606 weight  0.10000E+01 volume  0.90100E+01 ppm1      1.474 ppm2      1.688
 OR { 7606}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HD1 ")
 OR { 7606}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "27  " and name "HD1 ")
 OR { 7606}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "27  " and name "HD2 ")
 ASSI { 7580}
     (segid "    " and resid "27  " and name "HG1 ")
     (segid "    " and resid "27  " and name "HB2 ")
      5.000     5.000     0.000 peak  7580 weight  0.10000E+01 volume -0.12060E+01 ppm1      1.467 ppm2      2.007
 OR { 7580}
     (segid "    " and resid "27  " and name "HG2 ")
     (segid "    " and resid "27  " and name "HB2 ")
 ASSI { 6756}
     (segid "    " and resid "3   " and name "HG  ")
     (segid "    " and resid "3   " and name "HB2 ")
      5.000     5.000     0.000 peak  6756 weight  0.10000E+01 volume -0.82200E+00 ppm1      1.404 ppm2      1.379
 ASSI { 8038}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "43  " and name "HB2 ")
      5.000     5.000     0.000 peak  8038 weight  0.10000E+01 volume -0.68600E+00 ppm1      0.800 ppm2      1.703
 OR { 8038}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "43  " and name "HB2 ")
 OR { 8038}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "43  " and name "HB2 ")
 ASSI { 7776}
     (segid "    " and resid "36  " and name "HG11")
     (segid "    " and resid "34  " and name "HB1 ")
      5.000     5.000     0.000 peak  7776 weight  0.10000E+01 volume  0.36500E+00 ppm1      1.408 ppm2      2.134
 ASSI { 7584}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "27  " and name "HB1 ")
      6.000     6.000     0.000 peak  7584 weight  0.10000E+01 volume -0.15600E+00 ppm1      0.801 ppm2      1.472
 OR { 7584}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 7584}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "27  " and name "HB1 ")
 ASSI { 8046}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "43  " and name "HB1 ")
      5.000     5.000     0.000 peak  8046 weight  0.10000E+01 volume -0.59700E+00 ppm1      0.800 ppm2      1.064
 OR { 8046}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "43  " and name "HB1 ")
 OR { 8046}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "43  " and name "HB1 ")
 ASSI { 7808}
     (segid "    " and resid "36  " and name "HG11")
     (segid "    " and resid "36  " and name "HB  ")
      5.000     5.000     0.000 peak  7808 weight  0.10000E+01 volume -0.10710E+01 ppm1      1.392 ppm2      1.449
 ASSI { 8041}
     (segid "    " and resid "43  " and name "HG  ")
     (segid "    " and resid "43  " and name "HB2 ")
      5.000     5.000     0.000 peak  8041 weight  0.10000E+01 volume -0.10390E+01 ppm1      1.499 ppm2      1.703
 ASSI { 6982}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "15  " and name "HB  ")
      6.000     6.000     0.000 peak  6982 weight  0.10000E+01 volume -0.26400E+00 ppm1      0.744 ppm2      1.778
 OR { 6982}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "15  " and name "HB  ")
 OR { 6982}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "15  " and name "HB  ")
 ASSI { 8048}
     (segid "    " and resid "43  " and name "HG  ")
     (segid "    " and resid "43  " and name "HB1 ")
      5.000     5.000     0.000 peak  8048 weight  0.10000E+01 volume -0.47800E+00 ppm1      1.478 ppm2      1.054
 ASSI { 7359}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "17  " and name "HB1 ")
      5.000     5.000     0.000 peak  7359 weight  0.10000E+01 volume -0.93700E+00 ppm1      0.747 ppm2      1.884
 OR { 7359}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "17  " and name "HB1 ")
 OR { 7359}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "17  " and name "HB1 ")
 ASSI { 8056}
     (segid "    " and resid "43  " and name "HG  ")
     (segid "    " and resid "43  " and name "HD21")
      2.700     2.700     0.000 peak  8056 weight  0.10000E+01 volume  0.36570E+01 ppm1      1.487 ppm2      0.806
 OR { 8056}
     (segid "    " and resid "43  " and name "HG  ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 8056}
     (segid "    " and resid "43  " and name "HG  ")
     (segid "    " and resid "43  " and name "HD22")
 ASSI { 7366}
     (segid "    " and resid "17  " and name "HD22")
     (segid "    " and resid "17  " and name "HB2 ")
      5.000     5.000     0.000 peak  7366 weight  0.10000E+01 volume -0.12410E+01 ppm1      0.747 ppm2      1.284
 OR { 7366}
     (segid "    " and resid "17  " and name "HD21")
     (segid "    " and resid "17  " and name "HB2 ")
 OR { 7366}
     (segid "    " and resid "17  " and name "HD23")
     (segid "    " and resid "17  " and name "HB2 ")
 ASSI { 8890}
     (segid "    " and resid "74  " and name "HG1 ")
     (segid "    " and resid "74  " and name "HB1 ")
      2.700     2.700     0.000 peak  8890 weight  0.10000E+01 volume  0.60310E+01 ppm1      1.633 ppm2      1.833
 OR { 8890}
     (segid "    " and resid "74  " and name "HG2 ")
     (segid "    " and resid "74  " and name "HB2 ")
 OR { 8890}
     (segid "    " and resid "74  " and name "HG1 ")
     (segid "    " and resid "74  " and name "HB2 ")
 OR { 8890}
     (segid "    " and resid "74  " and name "HG2 ")
     (segid "    " and resid "74  " and name "HB1 ")
 ASSI { 7799}
     (segid "    " and resid "36  " and name "HG11")
     (segid "    " and resid "36  " and name "HA  ")
      5.000     5.000     0.000 peak  7799 weight  0.10000E+01 volume -0.44100E+00 ppm1      1.389 ppm2      4.446
 ASSI { 8181}
     (segid "    " and resid "50  " and name "HG  ")
     (segid "    " and resid "50  " and name "HA  ")
      5.000     5.000     0.000 peak  8181 weight  0.10000E+01 volume -0.44100E+00 ppm1      1.026 ppm2      3.858
 ASSI { 8175}
     (segid "    " and resid "42  " and name "HG1 ")
     (segid "    " and resid "49  " and name "HG1 ")
      6.000     6.000     0.000 peak  8175 weight  0.10000E+01 volume -0.28700E+00 ppm1      1.465 ppm2      2.242
 OR { 8175}
     (segid "    " and resid "42  " and name "HG1 ")
     (segid "    " and resid "49  " and name "HG2 ")
 ASSI { 8305}
     (segid "    " and resid "56  " and name "HG  ")
     (segid "    " and resid "56  " and name "HB2 ")
      5.000     5.000     0.000 peak  8305 weight  0.10000E+01 volume -0.94000E+00 ppm1      1.695 ppm2      2.003
 ASSI { 7558}
     (segid "    " and resid "26  " and name "HG  ")
     (segid "    " and resid "26  " and name "HB2 ")
      5.000     5.000     0.000 peak  7558 weight  0.10000E+01 volume -0.83100E+00 ppm1      1.468 ppm2      1.272
 ASSI { 2274}
     (segid "    " and resid "8   " and name "HG  ")
     (segid "    " and resid "8   " and name "HA  ")
      5.000     5.000     0.000 peak  2274 weight  0.10000E+01 volume -0.41900E+00 ppm1      1.866 ppm2      4.324
 ASSI { 8714}
     (segid "    " and resid "42  " and name "HG2 ")
     (segid "    " and resid "70  " and name "HG21")
      5.000     5.000     0.000 peak  8714 weight  0.10000E+01 volume  0.87600E+00 ppm1      1.328 ppm2      0.833
 OR { 8714}
     (segid "    " and resid "42  " and name "HG2 ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 8714}
     (segid "    " and resid "44  " and name "HG11")
     (segid "    " and resid "70  " and name "HG21")
 OR { 8714}
     (segid "    " and resid "44  " and name "HG11")
     (segid "    " and resid "70  " and name "HG23")
 OR { 8714}
     (segid "    " and resid "44  " and name "HG11")
     (segid "    " and resid "70  " and name "HG22")
 OR { 8714}
     (segid "    " and resid "42  " and name "HG2 ")
     (segid "    " and resid "70  " and name "HG23")
 ASSI { 8040}
     (segid "    " and resid "50  " and name "HG  ")
     (segid "    " and resid "43  " and name "HB2 ")
      6.000     6.000     0.000 peak  8040 weight  0.10000E+01 volume -0.11500E+00 ppm1      1.014 ppm2      1.698
 ASSI { 6860}
     (segid "    " and resid "8   " and name "HG  ")
     (segid "    " and resid "8   " and name "HB2 ")
      3.300     3.300     0.000 peak  6860 weight  0.10000E+01 volume -0.19520E+01 ppm1      1.878 ppm2      1.776
 ASSI { 8277}
     (segid "    " and resid "54  " and name "HG1 ")
     (segid "    " and resid "54  " and name "HB2 ")
      5.000     5.000     0.000 peak  8277 weight  0.10000E+01 volume  0.78400E+00 ppm1      1.935 ppm2      2.329
 OR { 8277}
     (segid "    " and resid "54  " and name "HG1 ")
     (segid "    " and resid "54  " and name "HB1 ")
 ASSI { 8766}
     (segid "    " and resid "71  " and name "HG  ")
     (segid "    " and resid "71  " and name "HD21")
      2.700     2.700     0.000 peak  8766 weight  0.10000E+01 volume  0.36970E+01 ppm1      1.648 ppm2      0.892
 OR { 8766}
     (segid "    " and resid "71  " and name "HG  ")
     (segid "    " and resid "71  " and name "HD23")
 OR { 8766}
     (segid "    " and resid "71  " and name "HG  ")
     (segid "    " and resid "71  " and name "HD22")
 ASSI { 7714}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HG1 ")
      5.000     5.000     0.000 peak  7714 weight  0.10000E+01 volume -0.11330E+01 ppm1      2.424 ppm2      2.264
 ASSI { 7891}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "38  " and name "HA  ")
      5.000     5.000     0.000 peak  7891 weight  0.10000E+01 volume  0.66400E+00 ppm1      1.649 ppm2      4.067
 ASSI { 8655}
     (segid "    " and resid "69  " and name "HG  ")
     (segid "    " and resid "69  " and name "HB2 ")
      5.000     5.000     0.000 peak  8655 weight  0.10000E+01 volume -0.71100E+00 ppm1      1.371 ppm2      1.070
 ASSI { 7900}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "54  " and name "HB2 ")
      3.300     3.300     0.000 peak  7900 weight  0.10000E+01 volume  0.19040E+01 ppm1      1.641 ppm2      2.288
 OR { 7900}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 7900}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "38  " and name "HB1 ")
 OR { 7900}
     (segid "    " and resid "54  " and name "HG2 ")
     (segid "    " and resid "38  " and name "HB1 ")
 OR { 7900}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 7900}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "54  " and name "HB1 ")
 ASSI { 7562}
     (segid "    " and resid "26  " and name "HD22")
     (segid "    " and resid "26  " and name "HG  ")
      5.000     5.000     0.000 peak  7562 weight  0.10000E+01 volume  0.72400E+00 ppm1      0.645 ppm2      1.484
 OR { 7562}
     (segid "    " and resid "26  " and name "HD21")
     (segid "    " and resid "26  " and name "HG  ")
 OR { 7562}
     (segid "    " and resid "26  " and name "HD23")
     (segid "    " and resid "26  " and name "HG  ")
 ASSI { 7698}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "31  " and name "HA  ")
      5.000     5.000     0.000 peak  7698 weight  0.10000E+01 volume  0.91500E+00 ppm1      1.908 ppm2      3.784
 ASSI { 7717}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HG2 ")
      5.000     5.000     0.000 peak  7717 weight  0.10000E+01 volume -0.50400E+00 ppm1      2.428 ppm2      1.912
 ASSI { 8650}
     (segid "    " and resid "69  " and name "HG  ")
     (segid "    " and resid "69  " and name "HB1 ")
      5.000     5.000     0.000 peak  8650 weight  0.10000E+01 volume -0.12770E+01 ppm1      1.369 ppm2      1.678
 ASSI { 7894}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HA  ")
      6.000     6.000     0.000 peak  7894 weight  0.10000E+01 volume  0.29600E+00 ppm1      2.198 ppm2      4.063
 ASSI { 7701}
     (segid "    " and resid "31  " and name "HB1 ")
     (segid "    " and resid "31  " and name "HA  ")
      5.000     5.000     0.000 peak  7701 weight  0.10000E+01 volume  0.57800E+00 ppm1      2.427 ppm2      3.781
 ASSI { 7712}
     (segid "    " and resid "31  " and name "HB2 ")
     (segid "    " and resid "31  " and name "HG1 ")
      5.000     5.000     0.000 peak  7712 weight  0.10000E+01 volume -0.12280E+01 ppm1      1.907 ppm2      2.272
 ASSI { 7362}
     (segid "    " and resid "17  " and name "HG  ")
     (segid "    " and resid "17  " and name "HB1 ")
      3.300     3.300     0.000 peak  7362 weight  0.10000E+01 volume -0.15520E+01 ppm1      1.673 ppm2      1.898
 ASSI { 7454}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HD2 ")
      3.300     3.300     0.000 peak  7454 weight  0.10000E+01 volume -0.25580E+01 ppm1      2.202 ppm2      3.772
 OR { 7454}
     (segid "    " and resid "19  " and name "HG1 ")
     (segid "    " and resid "19  " and name "HD2 ")
 OR { 7454}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HD1 ")
 OR { 7454}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "19  " and name "HD2 ")
 OR { 7454}
     (segid "    " and resid "19  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HD1 ")
 OR { 7454}
     (segid "    " and resid "19  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 7417}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "19  " and name "HA  ")
      5.000     5.000     0.000 peak  7417 weight  0.10000E+01 volume  0.35000E+00 ppm1      2.049 ppm2      4.125
 ASSI { 8427}
     (segid "    " and resid "61  " and name "HG  ")
     (segid "    " and resid "61  " and name "HB2 ")
      5.000     5.000     0.000 peak  8427 weight  0.10000E+01 volume -0.13940E+01 ppm1      1.093 ppm2      1.297
 ASSI { 7428}
     (segid "    " and resid "19  " and name "HG1 ")
     (segid "    " and resid "19  " and name "HB2 ")
      3.300     3.300     0.000 peak  7428 weight  0.10000E+01 volume  0.28620E+01 ppm1      2.212 ppm2      1.987
 ASSI { 7427}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "37  " and name "HB2 ")
      2.700     2.700     0.000 peak  7427 weight  0.10000E+01 volume  0.61750E+01 ppm1      2.062 ppm2      1.997
 OR { 7427}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "19  " and name "HB2 ")
 OR { 7427}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HB2 ")
 OR { 7427}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HB2 ")
 OR { 7427}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "19  " and name "HB2 ")
 OR { 7427}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "19  " and name "HB2 ")
 ASSI { 7422}
     (segid "    " and resid "19  " and name "HG1 ")
     (segid "    " and resid "19  " and name "HB1 ")
      3.300     3.300     0.000 peak  7422 weight  0.10000E+01 volume  0.16300E+01 ppm1      2.210 ppm2      2.364
 ASSI { 7418}
     (segid "    " and resid "19  " and name "HG1 ")
     (segid "    " and resid "19  " and name "HA  ")
      5.000     5.000     0.000 peak  7418 weight  0.10000E+01 volume  0.33900E+00 ppm1      2.210 ppm2      4.126
 ASSI { 7421}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HB1 ")
      2.700     2.700     0.000 peak  7421 weight  0.10000E+01 volume  0.37060E+01 ppm1      2.055 ppm2      2.388
 OR { 7421}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "37  " and name "HB1 ")
 OR { 7421}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "19  " and name "HB1 ")
 OR { 7421}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HB1 ")
 OR { 7421}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "19  " and name "HB1 ")
 OR { 7421}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "19  " and name "HB1 ")
 ASSI { 7851}
     (segid "    " and resid "37  " and name "HG1 ")
     (segid "    " and resid "37  " and name "HA  ")
      5.000     5.000     0.000 peak  7851 weight  0.10000E+01 volume  0.33000E+00 ppm1      2.053 ppm2      4.636
 OR { 7851}
     (segid "    " and resid "37  " and name "HG2 ")
     (segid "    " and resid "37  " and name "HA  ")
 ASSI { 6946}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "1   " and name "HE1 ")
      5.000     5.000     0.000 peak  6946 weight  0.10000E+01 volume  0.45400E+00 ppm1      2.041 ppm2      1.668
 OR { 6946}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 6946}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "1   " and name "HE3 ")
 ASSI { 5339}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "67  " and name "HG22")
      5.000     5.000     0.000 peak  5339 weight  0.10000E+01 volume  0.10570E+01 ppm1      1.435 ppm2      0.822
 OR { 5339}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "67  " and name "HG21")
 OR { 5339}
     (segid "    " and resid "67  " and name "HG11")
     (segid "    " and resid "67  " and name "HG23")
 ASSI { 8583}
     (segid "    " and resid "67  " and name "HG12")
     (segid "    " and resid "67  " and name "HB  ")
      5.000     5.000     0.000 peak  8583 weight  0.10000E+01 volume -0.44500E+00 ppm1      0.880 ppm2      1.719
 ASSI { 7731}
     (segid "    " and resid "33  " and name "HD1 ")
     (segid "    " and resid "33  " and name "HA  ")
      5.000     5.000     0.000 peak  7731 weight  0.10000E+01 volume -0.64100E+00 ppm1      1.726 ppm2      4.341
 ASSI { 8258}
     (segid "    " and resid "24  " and name "HB2 ")
     (segid "    " and resid "52  " and name "HB1 ")
      6.000     6.000     0.000 peak  8258 weight  0.10000E+01 volume -0.18800E+00 ppm1      2.017 ppm2      2.645
 OR { 8258}
     (segid "    " and resid "24  " and name "HB1 ")
     (segid "    " and resid "52  " and name "HB1 ")
 ASSI { 7730}
     (segid "    " and resid "33  " and name "HD2 ")
     (segid "    " and resid "33  " and name "HA  ")
      5.000     5.000     0.000 peak  7730 weight  0.10000E+01 volume -0.34700E+00 ppm1      1.653 ppm2      4.338
 ASSI { 7622}
     (segid "    " and resid "29  " and name "HD2 ")
     (segid "    " and resid "29  " and name "HA  ")
      5.000     5.000     0.000 peak  7622 weight  0.10000E+01 volume -0.32800E+00 ppm1      1.606 ppm2      4.232
 ASSI { 6927}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "12  " and name "HG23")
      5.000     5.000     0.000 peak  6927 weight  0.10000E+01 volume  0.37100E+00 ppm1      1.546 ppm2      1.078
 OR { 6927}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 6927}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 6927}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 6927}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 6927}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "12  " and name "HG23")
 ASSI { 6814}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "6   " and name "HB1 ")
      5.000     5.000     0.000 peak  6814 weight  0.10000E+01 volume -0.63300E+00 ppm1      1.553 ppm2      1.368
 OR { 6814}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "6   " and name "HB1 ")
 ASSI { 8160}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "48  " and name "HG2 ")
      2.700     2.700     0.000 peak  8160 weight  0.10000E+01 volume  0.31090E+01 ppm1      1.888 ppm2      1.543
 OR { 8160}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "48  " and name "HG1 ")
 OR { 8160}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "48  " and name "HG2 ")
 OR { 8160}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "48  " and name "HG1 ")
 ASSI { 8170}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "48  " and name "HE1 ")
      5.000     5.000     0.000 peak  8170 weight  0.10000E+01 volume -0.50200E+00 ppm1      1.874 ppm2      3.169
 OR { 8170}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "48  " and name "HE2 ")
 OR { 8170}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "48  " and name "HE2 ")
 OR { 8170}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "48  " and name "HE1 ")
 ASSI { 6848}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "6   " and name "HE1 ")
      3.300     3.300     0.000 peak  6848 weight  0.10000E+01 volume -0.18150E+01 ppm1      1.604 ppm2      2.897
 OR { 6848}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "6   " and name "HE2 ")
 OR { 6848}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 6848}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 6848}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 6848}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 6848}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "6   " and name "HE2 ")
 OR { 6848}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "6   " and name "HE1 ")
 OR { 6848}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "6   " and name "HE1 ")
 OR { 6848}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "6   " and name "HE2 ")
 OR { 6848}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "6   " and name "HE1 ")
 OR { 6848}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "6   " and name "HE2 ")
 OR { 6848}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 6848}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 6848}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE2 ")
 OR { 6848}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 6821}
     (segid "    " and resid "11  " and name "HD1 ")
     (segid "    " and resid "11  " and name "HG1 ")
      2.700     2.700     0.000 peak  6821 weight  0.10000E+01 volume  0.61920E+01 ppm1      1.642 ppm2      1.416
 OR { 6821}
     (segid "    " and resid "11  " and name "HD2 ")
     (segid "    " and resid "11  " and name "HG1 ")
 ASSI { 8177}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HG1 ")
      2.700     2.700     0.000 peak  8177 weight  0.10000E+01 volume -0.38140E+01 ppm1      1.948 ppm2      2.227
 OR { 8177}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 8177}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 8177}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "49  " and name "HG1 ")
 ASSI { 8932}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "1   " and name "HB2 ")
      3.300     3.300     0.000 peak  8932 weight  0.10000E+01 volume -0.22670E+01 ppm1      2.151 ppm2      1.986
 ASSI {  649}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "30  " and name "HB  ")
      5.000     5.000     0.000 peak   649 weight  0.10000E+01 volume -0.40800E+00 ppm1      0.669 ppm2      2.201
 ASSI { 7455}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "19  " and name "HD2 ")
      5.000     5.000     0.000 peak  7455 weight  0.10000E+01 volume -0.30600E+00 ppm1      2.193 ppm2      3.802
 OR { 7455}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HD2 ")
 ASSI { 8928}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "1   " and name "HB1 ")
      5.000     5.000     0.000 peak  8928 weight  0.10000E+01 volume -0.10140E+01 ppm1      2.505 ppm2      2.132
 ASSI { 7568}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "26  " and name "HD13")
      5.000     5.000     0.000 peak  7568 weight  0.10000E+01 volume  0.10200E+01 ppm1      1.801 ppm2      0.743
 OR { 7568}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "26  " and name "HD11")
 OR { 7568}
     (segid "    " and resid "30  " and name "HG11")
     (segid "    " and resid "26  " and name "HD12")
 ASSI { 8951}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "1   " and name "HG2 ")
      2.700     2.700     0.000 peak  8951 weight  0.10000E+01 volume  0.32750E+01 ppm1      2.509 ppm2      2.164
 ASSI { 8936}
     (segid "    " and resid "1   " and name "HG1 ")
     (segid "    " and resid "1   " and name "HB2 ")
      5.000     5.000     0.000 peak  8936 weight  0.10000E+01 volume -0.62800E+00 ppm1      2.509 ppm2      1.986
 ASSI { 7389}
     (segid "    " and resid "18  " and name "HB1 ")
     (segid "    " and resid "18  " and name "HA  ")
      5.000     5.000     0.000 peak  7389 weight  0.10000E+01 volume -0.53000E+00 ppm1      2.188 ppm2      4.845
 ASSI { 8924}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "1   " and name "HA  ")
      5.000     5.000     0.000 peak  8924 weight  0.10000E+01 volume -0.36700E+00 ppm1      2.151 ppm2      4.085
 ASSI { 8979}
     (segid "    " and resid "2   " and name "HB2 ")
     (segid "    " and resid "2   " and name "HG2 ")
      5.000     5.000     0.000 peak  8979 weight  0.10000E+01 volume -0.14770E+01 ppm1      1.717 ppm2      1.827
 ASSI { 8976}
     (segid "    " and resid "2   " and name "HB1 ")
     (segid "    " and resid "2   " and name "HG1 ")
      3.300     3.300     0.000 peak  8976 weight  0.10000E+01 volume -0.24290E+01 ppm1      1.878 ppm2      2.169
 ASSI { 7445}
     (segid "    " and resid "18  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HD1 ")
      5.000     5.000     0.000 peak  7445 weight  0.10000E+01 volume -0.49300E+00 ppm1      1.705 ppm2      3.982
 ASSI { 8981}
     (segid "    " and resid "2   " and name "HB1 ")
     (segid "    " and resid "2   " and name "HG2 ")
      2.700     2.700     0.000 peak  8981 weight  0.10000E+01 volume -0.38090E+01 ppm1      1.883 ppm2      1.816
 ASSI { 8487}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "63  " and name "HA  ")
      6.000     6.000     0.000 peak  8487 weight  0.10000E+01 volume -0.18300E+00 ppm1      2.161 ppm2      4.022
 ASSI { 7950}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HG2 ")
      2.700     2.700     0.000 peak  7950 weight  0.10000E+01 volume -0.38920E+01 ppm1      2.464 ppm2      2.392
 OR { 7950}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HG1 ")
 ASSI { 6778}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "3   " and name "HD12")
      6.000     6.000     0.000 peak  6778 weight  0.10000E+01 volume  0.26300E+00 ppm1      2.152 ppm2      0.585
 OR { 6778}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "3   " and name "HD11")
 OR { 6778}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "3   " and name "HD13")
 OR { 6778}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 6778}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 6778}
     (segid "    " and resid "1   " and name "HG2 ")
     (segid "    " and resid "61  " and name "HD13")
 ASSI { 7585}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "27  " and name "HB1 ")
      5.000     5.000     0.000 peak  7585 weight  0.10000E+01 volume -0.97300E+00 ppm1      1.679 ppm2      1.437
 OR { 7585}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "27  " and name "HB1 ")
 ASSI { 7892}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HA  ")
      5.000     5.000     0.000 peak  7892 weight  0.10000E+01 volume  0.33300E+00 ppm1      1.916 ppm2      4.059
 OR { 7892}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HA  ")
 ASSI { 7827}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HG22")
      5.000     5.000     0.000 peak  7827 weight  0.10000E+01 volume  0.47000E+00 ppm1      1.911 ppm2      0.921
 OR { 7827}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 7827}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG23")
 OR { 7827}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 7827}
     (segid "    " and resid "41  " and name "HB2 ")
     (segid "    " and resid "36  " and name "HG23")
 OR { 7827}
     (segid "    " and resid "41  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG22")
 ASSI { 8776}
     (segid "    " and resid "72  " and name "HB2 ")
     (segid "    " and resid "72  " and name "HA  ")
      5.000     5.000     0.000 peak  8776 weight  0.10000E+01 volume -0.75800E+00 ppm1      1.512 ppm2      4.234
 ASSI { 7195}
     (segid "    " and resid "16  " and name "HB1 ")
     (segid "    " and resid "16  " and name "HG2 ")
      2.700     2.700     0.000 peak  7195 weight  0.10000E+01 volume -0.43550E+01 ppm1      1.812 ppm2      2.031
 OR { 7195}
     (segid "    " and resid "16  " and name "HB1 ")
     (segid "    " and resid "16  " and name "HG1 ")
 OR { 7195}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "16  " and name "HG2 ")
 OR { 7195}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "16  " and name "HG1 ")
 ASSI { 6800}
     (segid "    " and resid "16  " and name "HB2 ")
     (segid "    " and resid "16  " and name "HA  ")
      5.000     5.000     0.000 peak  6800 weight  0.10000E+01 volume -0.74600E+00 ppm1      1.815 ppm2      5.164
 OR { 6800}
     (segid "    " and resid "16  " and name "HB1 ")
     (segid "    " and resid "16  " and name "HA  ")
 ASSI { 8710}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG21")
      5.000     5.000     0.000 peak  8710 weight  0.10000E+01 volume  0.96100E+00 ppm1      1.660 ppm2      0.828
 OR { 8710}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 8710}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG23")
 ASSI { 8693}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG12")
      5.000     5.000     0.000 peak  8693 weight  0.10000E+01 volume  0.38600E+00 ppm1      3.066 ppm2      0.936
 OR { 8693}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG12")
 OR { 8693}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG13")
 OR { 8693}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG11")
 OR { 8693}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG13")
 OR { 8693}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HG11")
 OR { 8693}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "66  " and name "HG22")
 OR { 8693}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "66  " and name "HG21")
 OR { 8693}
     (segid "    " and resid "68  " and name "HB2 ")
     (segid "    " and resid "66  " and name "HG23")
 OR { 8693}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "66  " and name "HG22")
 OR { 8693}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "66  " and name "HG23")
 OR { 8693}
     (segid "    " and resid "68  " and name "HB1 ")
     (segid "    " and resid "66  " and name "HG21")
 ASSI { 8712}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG22")
      5.000     5.000     0.000 peak  8712 weight  0.10000E+01 volume  0.57800E+00 ppm1      1.526 ppm2      0.842
 OR { 8712}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG23")
 OR { 8712}
     (segid "    " and resid "42  " and name "HB2 ")
     (segid "    " and resid "70  " and name "HG21")
 ASSI { 7876}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "37  " and name "HD2 ")
      5.000     5.000     0.000 peak  7876 weight  0.10000E+01 volume -0.61500E+00 ppm1      1.956 ppm2      3.557
 ASSI { 7850}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "37  " and name "HA  ")
      5.000     5.000     0.000 peak  7850 weight  0.10000E+01 volume  0.62900E+00 ppm1      1.949 ppm2      4.633
 ASSI { 7446}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HD1 ")
      5.000     5.000     0.000 peak  7446 weight  0.10000E+01 volume -0.39900E+00 ppm1      2.024 ppm2      3.982
 ASSI { 7994}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "42  " and name "HA  ")
      5.000     5.000     0.000 peak  7994 weight  0.10000E+01 volume -0.37700E+00 ppm1      1.660 ppm2      4.469
 ASSI { 7856}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "37  " and name "HB1 ")
      2.700     2.700     0.000 peak  7856 weight  0.10000E+01 volume  0.72470E+01 ppm1      1.984 ppm2      2.393
 OR { 7856}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HB1 ")
 OR { 7856}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HB1 ")
 OR { 7856}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "37  " and name "HB1 ")
 ASSI { 7867}
     (segid "    " and resid "37  " and name "HB2 ")
     (segid "    " and resid "37  " and name "HD1 ")
      5.000     5.000     0.000 peak  7867 weight  0.10000E+01 volume -0.43900E+00 ppm1      1.953 ppm2      4.180
 ASSI { 8651}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "1   " and name "HE2 ")
      6.000     6.000     0.000 peak  8651 weight  0.10000E+01 volume  0.18800E+00 ppm1      2.028 ppm2      1.688
 OR { 8651}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 8651}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "1   " and name "HE3 ")
 ASSI { 8285}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HD1 ")
      6.000     6.000     0.000 peak  8285 weight  0.10000E+01 volume -0.12900E+00 ppm1      2.169 ppm2      3.175
 OR { 8285}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HD2 ")
 ASSI { 8471}
     (segid "    " and resid "62  " and name "HB2 ")
     (segid "    " and resid "62  " and name "HA  ")
      6.000     6.000     0.000 peak  8471 weight  0.10000E+01 volume -0.26700E+00 ppm1      1.832 ppm2      4.559
 ASSI { 8268}
     (segid "    " and resid "54  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HA  ")
      5.000     5.000     0.000 peak  8268 weight  0.10000E+01 volume -0.46100E+00 ppm1      2.307 ppm2      4.757
 OR { 8268}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "54  " and name "HA  ")
 ASSI { 8232}
     (segid "    " and resid "51  " and name "HB1 ")
     (segid "    " and resid "51  " and name "HA  ")
      5.000     5.000     0.000 peak  8232 weight  0.10000E+01 volume -0.43700E+00 ppm1      2.167 ppm2      4.549
 ASSI { 8362}
     (segid "    " and resid "54  " and name "HB1 ")
     (segid "    " and resid "58  " and name "HB1 ")
      6.000     6.000     0.000 peak  8362 weight  0.10000E+01 volume -0.24800E+00 ppm1      2.329 ppm2      2.241
 OR { 8362}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "58  " and name "HB1 ")
 ASSI { 8472}
     (segid "    " and resid "62  " and name "HB1 ")
     (segid "    " and resid "62  " and name "HA  ")
      5.000     5.000     0.000 peak  8472 weight  0.10000E+01 volume -0.43000E+00 ppm1      2.204 ppm2      4.574
 ASSI { 7476}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "23  " and name "HA  ")
      5.000     5.000     0.000 peak  7476 weight  0.10000E+01 volume  0.31000E+00 ppm1      2.189 ppm2      3.383
 ASSI { 7923}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HD2 ")
      5.000     5.000     0.000 peak  7923 weight  0.10000E+01 volume -0.65400E+00 ppm1      2.045 ppm2      3.734
 OR { 7923}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HD1 ")
 ASSI { 7586}
     (segid "    " and resid "38  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HB1 ")
      5.000     5.000     0.000 peak  7586 weight  0.10000E+01 volume -0.56300E+00 ppm1      2.256 ppm2      1.459
 ASSI { 7792}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HG2 ")
      2.700     2.700     0.000 peak  7792 weight  0.10000E+01 volume -0.36180E+01 ppm1      2.146 ppm2      2.126
 OR { 7792}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "34  " and name "HG1 ")
 ASSI { 7786}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HG1 ")
      3.300     3.300     0.000 peak  7786 weight  0.10000E+01 volume -0.16320E+01 ppm1      1.717 ppm2      2.124
 OR { 7786}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HG2 ")
 ASSI { 7925}
     (segid "    " and resid "38  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HD1 ")
      5.000     5.000     0.000 peak  7925 weight  0.10000E+01 volume -0.35800E+00 ppm1      2.263 ppm2      3.707
 OR { 7925}
     (segid "    " and resid "38  " and name "HB1 ")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 8473}
     (segid "    " and resid "62  " and name "HG2 ")
     (segid "    " and resid "62  " and name "HA  ")
      5.000     5.000     0.000 peak  8473 weight  0.10000E+01 volume -0.38500E+00 ppm1      2.343 ppm2      4.566
 OR { 8473}
     (segid "    " and resid "62  " and name "HG1 ")
     (segid "    " and resid "62  " and name "HA  ")
 ASSI { 7915}
     (segid "    " and resid "38  " and name "HB2 ")
     (segid "    " and resid "38  " and name "HG2 ")
      5.000     5.000     0.000 peak  7915 weight  0.10000E+01 volume  0.71800E+00 ppm1      2.044 ppm2      1.646
 ASSI { 7770}
     (segid "    " and resid "34  " and name "HB2 ")
     (segid "    " and resid "34  " and name "HA  ")
      5.000     5.000     0.000 peak  7770 weight  0.10000E+01 volume -0.32600E+00 ppm1      1.725 ppm2      4.641
 ASSI { 7819}
     (segid "    " and resid "34  " and name "HB1 ")
     (segid "    " and resid "36  " and name "HG12")
      5.000     5.000     0.000 peak  7819 weight  0.10000E+01 volume -0.37200E+00 ppm1      2.128 ppm2      1.118
 ASSI { 6907}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "11  " and name "HG1 ")
      3.300     3.300     0.000 peak  6907 weight  0.10000E+01 volume -0.15740E+01 ppm1      1.690 ppm2      1.407
 ASSI { 8929}
     (segid "    " and resid "1   " and name "HB2 ")
     (segid "    " and resid "1   " and name "HB1 ")
      2.700     2.700     0.000 peak  8929 weight  0.10000E+01 volume  0.11494E+02 ppm1      1.983 ppm2      2.132
 ASSI { 6917}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "11  " and name "HE2 ")
      6.000     6.000     0.000 peak  6917 weight  0.10000E+01 volume  0.13200E+00 ppm1      1.671 ppm2      2.917
 OR { 6917}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "11  " and name "HE1 ")
 ASSI { 6890}
     (segid "    " and resid "11  " and name "HB1 ")
     (segid "    " and resid "11  " and name "HA  ")
      5.000     5.000     0.000 peak  6890 weight  0.10000E+01 volume  0.72300E+00 ppm1      1.778 ppm2      4.350
 ASSI { 6948}
     (segid "    " and resid "1   " and name "HB1 ")
     (segid "    " and resid "1   " and name "HE2 ")
      5.000     5.000     0.000 peak  6948 weight  0.10000E+01 volume -0.33900E+00 ppm1      2.135 ppm2      1.688
 OR { 6948}
     (segid "    " and resid "1   " and name "HB1 ")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 6948}
     (segid "    " and resid "1   " and name "HB1 ")
     (segid "    " and resid "1   " and name "HE3 ")
 ASSI { 6889}
     (segid "    " and resid "11  " and name "HB2 ")
     (segid "    " and resid "11  " and name "HA  ")
      5.000     5.000     0.000 peak  6889 weight  0.10000E+01 volume  0.47700E+00 ppm1      1.683 ppm2      4.355
 ASSI { 8950}
     (segid "    " and resid "1   " and name "HB1 ")
     (segid "    " and resid "1   " and name "HG2 ")
      2.700     2.700     0.000 peak  8950 weight  0.10000E+01 volume -0.38780E+01 ppm1      2.127 ppm2      2.149
 ASSI { 7970}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "41  " and name "HB1 ")
      3.300     3.300     0.000 peak  7970 weight  0.10000E+01 volume -0.18140E+01 ppm1      1.634 ppm2      1.894
 OR { 7970}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "41  " and name "HB2 ")
 ASSI { 7608}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HD2 ")
      5.000     5.000     0.000 peak  7608 weight  0.10000E+01 volume -0.66800E+00 ppm1      1.985 ppm2      1.695
 OR { 7608}
     (segid "    " and resid "27  " and name "HB2 ")
     (segid "    " and resid "27  " and name "HD1 ")
 ASSI { 7579}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HB2 ")
      3.300     3.300     0.000 peak  7579 weight  0.10000E+01 volume  0.16530E+01 ppm1      1.440 ppm2      2.006
 ASSI { 6944}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "13  " and name "HB1 ")
      5.000     5.000     0.000 peak  6944 weight  0.10000E+01 volume  0.99000E+00 ppm1      1.902 ppm2      1.687
 OR { 6944}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "69  " and name "HB1 ")
 ASSI { 7742}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HD1 ")
      5.000     5.000     0.000 peak  7742 weight  0.10000E+01 volume -0.79800E+00 ppm1      2.014 ppm2      1.704
 OR { 7742}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HD2 ")
 ASSI { 8614}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "68  " and name "HA  ")
      6.000     6.000     0.000 peak  8614 weight  0.10000E+01 volume  0.27000E+00 ppm1      1.380 ppm2      4.988
 ASSI { 6820}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "6   " and name "HG1 ")
      3.300     3.300     0.000 peak  6820 weight  0.10000E+01 volume -0.28300E+01 ppm1      1.356 ppm2      1.412
 ASSI { 7762}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HG1 ")
      2.700     2.700     0.000 peak  7762 weight  0.10000E+01 volume -0.34280E+01 ppm1      2.015 ppm2      1.619
 OR { 7762}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HG2 ")
 ASSI { 8615}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "68  " and name "HA  ")
      6.000     6.000     0.000 peak  8615 weight  0.10000E+01 volume  0.28600E+00 ppm1      1.670 ppm2      4.979
 ASSI { 6822}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "6   " and name "HG1 ")
      3.300     3.300     0.000 peak  6822 weight  0.10000E+01 volume -0.15760E+01 ppm1      1.667 ppm2      1.381
 ASSI { 6805}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "6   " and name "HB2 ")
      3.300     3.300     0.000 peak  6805 weight  0.10000E+01 volume  0.22260E+01 ppm1      1.367 ppm2      1.678
 ASSI { 7829}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HG21")
      5.000     5.000     0.000 peak  7829 weight  0.10000E+01 volume -0.40100E+00 ppm1      2.379 ppm2      0.925
 OR { 7829}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HG23")
 OR { 7829}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 7829}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 7829}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 7829}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HG23")
 ASSI { 7761}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "33  " and name "HG1 ")
      3.300     3.300     0.000 peak  7761 weight  0.10000E+01 volume -0.28170E+01 ppm1      1.820 ppm2      1.650
 OR { 7761}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "33  " and name "HG2 ")
 ASSI { 2163}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "6   " and name "HA  ")
      5.000     5.000     0.000 peak  2163 weight  0.10000E+01 volume  0.34200E+00 ppm1      1.657 ppm2      5.248
 ASSI { 6799}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "6   " and name "HA  ")
      5.000     5.000     0.000 peak  6799 weight  0.10000E+01 volume  0.37600E+00 ppm1      1.358 ppm2      5.230
 ASSI { 8982}
     (segid "    " and resid "2   " and name "HG1 ")
     (segid "    " and resid "2   " and name "HG2 ")
      2.700     2.700     0.000 peak  8982 weight  0.10000E+01 volume  0.35800E+01 ppm1      2.162 ppm2      1.829
 ASSI { 3701}
     (segid "    " and resid "49  " and name "HG2 ")
     (segid "    " and resid "49  " and name "HA  ")
      5.000     5.000     0.000 peak  3701 weight  0.10000E+01 volume  0.46900E+00 ppm1      2.241 ppm2      4.835
 OR { 3701}
     (segid "    " and resid "49  " and name "HG1 ")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 8171}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HE2 ")
      6.000     6.000     0.000 peak  8171 weight  0.10000E+01 volume  0.16000E+00 ppm1      1.964 ppm2      3.165
 OR { 8171}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HE2 ")
 OR { 8171}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HE1 ")
 OR { 8171}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HE1 ")
 ASSI { 7394}
     (segid "    " and resid "18  " and name "HG2 ")
     (segid "    " and resid "18  " and name "HB1 ")
      5.000     5.000     0.000 peak  7394 weight  0.10000E+01 volume -0.14800E+01 ppm1      2.237 ppm2      2.224
 ASSI { 7395}
     (segid "    " and resid "18  " and name "HG1 ")
     (segid "    " and resid "18  " and name "HB1 ")
      3.300     3.300     0.000 peak  7395 weight  0.10000E+01 volume -0.21330E+01 ppm1      2.382 ppm2      2.217
 ASSI { 2795}
     (segid "    " and resid "18  " and name "HG2 ")
     (segid "    " and resid "18  " and name "HA  ")
      5.000     5.000     0.000 peak  2795 weight  0.10000E+01 volume  0.39000E+00 ppm1      2.234 ppm2      4.828
 ASSI { 6997}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "16  " and name "HA  ")
      5.000     5.000     0.000 peak  6997 weight  0.10000E+01 volume  0.34200E+00 ppm1      2.071 ppm2      5.164
 ASSI { 6999}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "16  " and name "HB1 ")
      2.700     2.700     0.000 peak  6999 weight  0.10000E+01 volume -0.42560E+01 ppm1      2.073 ppm2      1.813
 OR { 6999}
     (segid "    " and resid "16  " and name "HG1 ")
     (segid "    " and resid "16  " and name "HB2 ")
 ASSI { 4080}
     (segid "    " and resid "16  " and name "HG2 ")
     (segid "    " and resid "16  " and name "HB1 ")
      2.700     2.700     0.000 peak  4080 weight  0.10000E+01 volume -0.39220E+01 ppm1      1.970 ppm2      1.817
 OR { 4080}
     (segid "    " and resid "16  " and name "HG2 ")
     (segid "    " and resid "16  " and name "HB2 ")
 ASSI { 8233}
     (segid "    " and resid "51  " and name "HG2 ")
     (segid "    " and resid "51  " and name "HA  ")
      5.000     5.000     0.000 peak  8233 weight  0.10000E+01 volume  0.32900E+00 ppm1      2.280 ppm2      4.544
 ASSI { 8236}
     (segid "    " and resid "51  " and name "HG1 ")
     (segid "    " and resid "51  " and name "HB1 ")
      3.300     3.300     0.000 peak  8236 weight  0.10000E+01 volume -0.17860E+01 ppm1      2.425 ppm2      2.169
 ASSI { 8235}
     (segid "    " and resid "51  " and name "HG2 ")
     (segid "    " and resid "51  " and name "HB1 ")
      3.300     3.300     0.000 peak  8235 weight  0.10000E+01 volume -0.15800E+01 ppm1      2.279 ppm2      2.173
 ASSI { 7845}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HD12")
      5.000     5.000     0.000 peak  7845 weight  0.10000E+01 volume -0.37100E+00 ppm1      2.075 ppm2      0.838
 OR { 7845}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 7845}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "36  " and name "HD11")
 ASSI { 7846}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HD13")
      5.000     5.000     0.000 peak  7846 weight  0.10000E+01 volume -0.45200E+00 ppm1      2.167 ppm2      0.833
 OR { 7846}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 7846}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "36  " and name "HD11")
 ASSI { 7671}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "30  " and name "HA  ")
      5.000     5.000     0.000 peak  7671 weight  0.10000E+01 volume -0.47200E+00 ppm1      2.197 ppm2      3.442
 ASSI { 7511}
     (segid "    " and resid "24  " and name "HG1 ")
     (segid "    " and resid "24  " and name "HA  ")
      5.000     5.000     0.000 peak  7511 weight  0.10000E+01 volume -0.65200E+00 ppm1      2.471 ppm2      3.844
 ASSI { 7679}
     (segid "    " and resid "30  " and name "HB  ")
     (segid "    " and resid "30  " and name "HG11")
      5.000     5.000     0.000 peak  7679 weight  0.10000E+01 volume -0.94600E+00 ppm1      2.191 ppm2      1.803
 ASSI { 7520}
     (segid "    " and resid "24  " and name "HG1 ")
     (segid "    " and resid "24  " and name "HB2 ")
      3.300     3.300     0.000 peak  7520 weight  0.10000E+01 volume -0.21510E+01 ppm1      2.467 ppm2      2.024
 OR { 7520}
     (segid "    " and resid "24  " and name "HG1 ")
     (segid "    " and resid "24  " and name "HB1 ")
 ASSI { 8534}
     (segid "    " and resid "64  " and name "HG1 ")
     (segid "    " and resid "64  " and name "HB2 ")
      2.700     2.700     0.000 peak  8534 weight  0.10000E+01 volume -0.64160E+01 ppm1      2.171 ppm2      2.400
 OR { 8534}
     (segid "    " and resid "64  " and name "HG2 ")
     (segid "    " and resid "64  " and name "HB2 ")
 ASSI { 7519}
     (segid "    " and resid "24  " and name "HG2 ")
     (segid "    " and resid "24  " and name "HB2 ")
      3.300     3.300     0.000 peak  7519 weight  0.10000E+01 volume -0.20230E+01 ppm1      2.318 ppm2      2.022
 OR { 7519}
     (segid "    " and resid "24  " and name "HG2 ")
     (segid "    " and resid "24  " and name "HB1 ")
 ASSI { 8261}
     (segid "    " and resid "24  " and name "HG2 ")
     (segid "    " and resid "52  " and name "HB1 ")
      6.000     6.000     0.000 peak  8261 weight  0.10000E+01 volume  0.13200E+00 ppm1      2.327 ppm2      2.648
 ASSI { 6942}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "1   " and name "HE1 ")
      5.000     5.000     0.000 peak  6942 weight  0.10000E+01 volume -0.31900E+00 ppm1      1.283 ppm2      1.671
 OR { 6942}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "1   " and name "HE3 ")
 OR { 6942}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "1   " and name "HE2 ")
 ASSI { 7415}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HA  ")
      5.000     5.000     0.000 peak  7415 weight  0.10000E+01 volume -0.60100E+00 ppm1      1.997 ppm2      4.127
 ASSI { 6945}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "1   " and name "HE1 ")
      5.000     5.000     0.000 peak  6945 weight  0.10000E+01 volume -0.34600E+00 ppm1      1.996 ppm2      1.692
 OR { 6945}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 6945}
     (segid "    " and resid "56  " and name "HB2 ")
     (segid "    " and resid "1   " and name "HE3 ")
 ASSI { 8304}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HB2 ")
      2.700     2.700     0.000 peak  8304 weight  0.10000E+01 volume  0.34440E+01 ppm1      1.283 ppm2      2.004
 ASSI { 8296}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HA  ")
      5.000     5.000     0.000 peak  8296 weight  0.10000E+01 volume  0.13540E+01 ppm1      1.279 ppm2      4.110
 ASSI { 8385}
     (segid "    " and resid "59  " and name "HB1 ")
     (segid "    " and resid "59  " and name "HB2 ")
      2.700     2.700     0.000 peak  8385 weight  0.10000E+01 volume  0.37930E+01 ppm1      3.434 ppm2      2.550
 ASSI { 7930}
     (segid "    " and resid "39  " and name "HB1 ")
     (segid "    " and resid "39  " and name "HA  ")
      5.000     5.000     0.000 peak  7930 weight  0.10000E+01 volume  0.13680E+01 ppm1      2.749 ppm2      4.434
 ASSI { 7929}
     (segid "    " and resid "39  " and name "HB2 ")
     (segid "    " and resid "39  " and name "HA  ")
      5.000     5.000     0.000 peak  7929 weight  0.10000E+01 volume  0.13430E+01 ppm1      2.659 ppm2      4.434
 ASSI { 8403}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HE2 ")
      5.000     5.000     0.000 peak  8403 weight  0.10000E+01 volume -0.32800E+00 ppm1      2.954 ppm2      6.829
 OR { 8403}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "59  " and name "HE1 ")
 ASSI { 7800}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "36  " and name "HA  ")
      5.000     5.000     0.000 peak  7800 weight  0.10000E+01 volume  0.32300E+00 ppm1      1.438 ppm2      4.441
 ASSI { 7818}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "36  " and name "HG12")
      3.300     3.300     0.000 peak  7818 weight  0.10000E+01 volume -0.15700E+01 ppm1      1.446 ppm2      1.119
 ASSI { 8994}
     (segid "    " and resid "4   " and name "HB1 ")
     (segid "    " and resid "4   " and name "HB2 ")
      2.700     2.700     0.000 peak  8994 weight  0.10000E+01 volume  0.39270E+01 ppm1      2.808 ppm2      3.093
 ASSI { 7498}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG12")
      6.000     6.000     0.000 peak  7498 weight  0.10000E+01 volume -0.27700E+00 ppm1      2.356 ppm2      0.706
 OR { 7498}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 7498}
     (segid "    " and resid "26  " and name "HB1 ")
     (segid "    " and resid "23  " and name "HG13")
 ASSI { 8087}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "44  " and name "HD13")
      5.000     5.000     0.000 peak  8087 weight  0.10000E+01 volume -0.32500E+00 ppm1      1.791 ppm2      0.642
 OR { 8087}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "44  " and name "HD11")
 OR { 8087}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "44  " and name "HD12")
 ASSI { 7381}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HD23")
      3.300     3.300     0.000 peak  7381 weight  0.10000E+01 volume -0.15860E+01 ppm1      1.255 ppm2      0.687
 OR { 7381}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HD21")
 OR { 7381}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HD22")
 ASSI { 7551}
     (segid "    " and resid "26  " and name "HB2 ")
     (segid "    " and resid "26  " and name "HB1 ")
      2.700     2.700     0.000 peak  7551 weight  0.10000E+01 volume  0.32290E+01 ppm1      1.257 ppm2      2.345
 ASSI { 8203}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HG  ")
      5.000     5.000     0.000 peak  8203 weight  0.10000E+01 volume -0.12140E+01 ppm1      1.462 ppm2      1.053
 ASSI { 8192}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HB2 ")
      2.700     2.700     0.000 peak  8192 weight  0.10000E+01 volume  0.31820E+01 ppm1      1.107 ppm2      1.453
 ASSI { 8185}
     (segid "    " and resid "50  " and name "HB2 ")
     (segid "    " and resid "50  " and name "HA  ")
      5.000     5.000     0.000 peak  8185 weight  0.10000E+01 volume  0.42900E+00 ppm1      1.450 ppm2      3.875
 ASSI { 6903}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "11  " and name "HB2 ")
      5.000     5.000     0.000 peak  6903 weight  0.10000E+01 volume  0.38500E+00 ppm1      2.914 ppm2      1.736
 OR { 6903}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "11  " and name "HB1 ")
 OR { 6903}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "11  " and name "HB2 ")
 OR { 6903}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "11  " and name "HB1 ")
 ASSI { 6866}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "8   " and name "HG  ")
      3.300     3.300     0.000 peak  6866 weight  0.10000E+01 volume -0.18430E+01 ppm1      1.933 ppm2      1.893
 ASSI { 6881}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "9   " and name "HG22")
      5.000     5.000     0.000 peak  6881 weight  0.10000E+01 volume -0.31200E+00 ppm1      1.919 ppm2      1.263
 OR { 6881}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "9   " and name "HG23")
 OR { 6881}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "9   " and name "HG21")
 ASSI { 8548}
     (segid "    " and resid "63  " and name "HE1 ")
     (segid "    " and resid "64  " and name "HG1 ")
      5.000     5.000     0.000 peak  8548 weight  0.10000E+01 volume  0.33900E+00 ppm1      3.016 ppm2      2.155
 OR { 8548}
     (segid "    " and resid "63  " and name "HE2 ")
     (segid "    " and resid "64  " and name "HG1 ")
 OR { 8548}
     (segid "    " and resid "63  " and name "HE2 ")
     (segid "    " and resid "64  " and name "HG2 ")
 OR { 8548}
     (segid "    " and resid "63  " and name "HE1 ")
     (segid "    " and resid "64  " and name "HG2 ")
 ASSI { 7767}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "33  " and name "HG1 ")
      5.000     5.000     0.000 peak  7767 weight  0.10000E+01 volume -0.71900E+00 ppm1      3.170 ppm2      1.607
 OR { 7767}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "33  " and name "HG2 ")
 ASSI { 8831}
     (segid "    " and resid "73  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HA  ")
      5.000     5.000     0.000 peak  8831 weight  0.10000E+01 volume  0.63500E+00 ppm1      1.588 ppm2      4.387
 OR { 8831}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HA  ")
 ASSI {  554}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "70  " and name "HA  ")
      6.000     6.000     0.000 peak   554 weight  0.10000E+01 volume -0.15700E+00 ppm1      1.643 ppm2      4.412
 ASSI { 8871}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD23")
      5.000     5.000     0.000 peak  8871 weight  0.10000E+01 volume -0.12400E+01 ppm1      1.598 ppm2      0.871
 OR { 8871}
     (segid "    " and resid "73  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HD23")
 OR { 8871}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD21")
 OR { 8871}
     (segid "    " and resid "73  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HD21")
 OR { 8871}
     (segid "    " and resid "73  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HD22")
 OR { 8871}
     (segid "    " and resid "73  " and name "HB2 ")
     (segid "    " and resid "73  " and name "HD22")
 ASSI { 8750}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD11")
      5.000     5.000     0.000 peak  8750 weight  0.10000E+01 volume -0.14210E+01 ppm1      1.594 ppm2      0.955
 OR { 8750}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD12")
 OR { 8750}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD13")
 OR { 8750}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD12")
 OR { 8750}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD11")
 OR { 8750}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD13")
 ASSI { 8762}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD23")
      3.300     3.300     0.000 peak  8762 weight  0.10000E+01 volume -0.21570E+01 ppm1      1.590 ppm2      0.865
 OR { 8762}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD22")
 OR { 8762}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD21")
 OR { 8762}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD23")
 OR { 8762}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HD21")
 OR { 8762}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HD22")
 ASSI { 8743}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HG  ")
      2.700     2.700     0.000 peak  8743 weight  0.10000E+01 volume -0.88820E+01 ppm1      1.553 ppm2      1.658
 ASSI { 8721}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HA  ")
      6.000     6.000     0.000 peak  8721 weight  0.10000E+01 volume  0.27000E+00 ppm1      1.598 ppm2      4.860
 OR { 8721}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HA  ")
 ASSI { 8807}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HG1 ")
      2.700     2.700     0.000 peak  8807 weight  0.10000E+01 volume -0.30720E+01 ppm1      3.110 ppm2      1.503
 OR { 8807}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "42  " and name "HG1 ")
 OR { 8807}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "72  " and name "HG2 ")
 OR { 8807}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HG1 ")
 OR { 8807}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "42  " and name "HG1 ")
 OR { 8807}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "42  " and name "HG1 ")
 OR { 8807}
     (segid "    " and resid "72  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HG2 ")
 OR { 8807}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "72  " and name "HG1 ")
 OR { 8807}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "72  " and name "HG2 ")
 OR { 8807}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "72  " and name "HG1 ")
 OR { 8807}
     (segid "    " and resid "72  " and name "HD1 ")
     (segid "    " and resid "42  " and name "HG1 ")
 OR { 8807}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "72  " and name "HG2 ")
 ASSI { 8694}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "70  " and name "HG12")
      5.000     5.000     0.000 peak  8694 weight  0.10000E+01 volume -0.73800E+00 ppm1      3.069 ppm2      0.942
 OR { 8694}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "70  " and name "HG11")
 OR { 8694}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "70  " and name "HG11")
 OR { 8694}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "70  " and name "HG12")
 OR { 8694}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "70  " and name "HG13")
 OR { 8694}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "70  " and name "HG13")
 ASSI { 8664}
     (segid "    " and resid "69  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HD11")
      5.000     5.000     0.000 peak  8664 weight  0.10000E+01 volume -0.86000E+00 ppm1      1.092 ppm2      0.842
 OR { 8664}
     (segid "    " and resid "69  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 8664}
     (segid "    " and resid "69  " and name "HB2 ")
     (segid "    " and resid "69  " and name "HD13")
 ASSI { 2806}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "7   " and name "HG22")
      5.000     5.000     0.000 peak  2806 weight  0.10000E+01 volume -0.50800E+00 ppm1      1.674 ppm2      1.096
 OR { 2806}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "7   " and name "HG21")
 OR { 2806}
     (segid "    " and resid "69  " and name "HB1 ")
     (segid "    " and resid "7   " and name "HG23")
 OR { 2806}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "7   " and name "HG23")
 OR { 2806}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "7   " and name "HG22")
 OR { 2806}
     (segid "    " and resid "13  " and name "HB1 ")
     (segid "    " and resid "7   " and name "HG21")
 ASSI { 6776}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "3   " and name "HD11")
      3.300     3.300     0.000 peak  6776 weight  0.10000E+01 volume  0.24510E+01 ppm1      1.668 ppm2      0.587
 OR { 6776}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 6776}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "3   " and name "HD13")
 OR { 6776}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 6776}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 6776}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "3   " and name "HD11")
 OR { 6776}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "3   " and name "HD11")
 OR { 6776}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "3   " and name "HD13")
 OR { 6776}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "3   " and name "HD13")
 OR { 6776}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 6776}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 6776}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 6776}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 6776}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 6776}
     (segid "    " and resid "1   " and name "HE3 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 6776}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 6776}
     (segid "    " and resid "1   " and name "HE1 ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 6776}
     (segid "    " and resid "1   " and name "HE2 ")
     (segid "    " and resid "61  " and name "HD11")
 ASSI { 6788}
     (segid "    " and resid "13  " and name "HB2 ")
     (segid "    " and resid "5   " and name "HB  ")
      5.000     5.000     0.000 peak  6788 weight  0.10000E+01 volume  0.37500E+00 ppm1      1.503 ppm2      1.908
 ASSI { 8034}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HA  ")
      5.000     5.000     0.000 peak  8034 weight  0.10000E+01 volume  0.33600E+00 ppm1      1.693 ppm2      5.289
 ASSI { 6761}
     (segid "    " and resid "3   " and name "HB2 ")
     (segid "    " and resid "3   " and name "HB1 ")
      2.700     2.700     0.000 peak  6761 weight  0.10000E+01 volume  0.35920E+01 ppm1      1.391 ppm2      1.131
 ASSI { 8146}
     (segid "    " and resid "47  " and name "HA1 ")
     (segid "    " and resid "47  " and name "HA2 ")
      2.700     2.700     0.000 peak  8146 weight  0.10000E+01 volume  0.69160E+01 ppm1      4.106 ppm2      3.450
 ASSI { 6886}
     (segid "    " and resid "10  " and name "HA1 ")
     (segid "    " and resid "10  " and name "HA2 ")
      2.700     2.700     0.000 peak  6886 weight  0.10000E+01 volume  0.59100E+01 ppm1      4.322 ppm2      3.608
 ASSI { 7356}
     (segid "    " and resid "17  " and name "HB1 ")
     (segid "    " and resid "17  " and name "HA  ")
      5.000     5.000     0.000 peak  7356 weight  0.10000E+01 volume  0.61900E+00 ppm1      1.867 ppm2      4.740
 ASSI { 7361}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HB1 ")
      2.700     2.700     0.000 peak  7361 weight  0.10000E+01 volume  0.40830E+01 ppm1      1.281 ppm2      1.895
 ASSI { 7403}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "18  " and name "HB2 ")
      6.000     6.000     0.000 peak  7403 weight  0.10000E+01 volume -0.11800E+00 ppm1      3.801 ppm2      1.703
 ASSI { 7430}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "37  " and name "HB2 ")
      5.000     5.000     0.000 peak  7430 weight  0.10000E+01 volume -0.73100E+00 ppm1      3.755 ppm2      1.988
 OR { 7430}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "19  " and name "HB2 ")
 OR { 7430}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "37  " and name "HB2 ")
 OR { 7430}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "19  " and name "HB2 ")
 OR { 7430}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "19  " and name "HB2 ")
 OR { 7430}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "37  " and name "HB2 ")
 ASSI { 7897}
     (segid "    " and resid "38  " and name "HD1 ")
     (segid "    " and resid "38  " and name "HA  ")
      5.000     5.000     0.000 peak  7897 weight  0.10000E+01 volume -0.41200E+00 ppm1      3.732 ppm2      4.077
 OR { 7897}
     (segid "    " and resid "38  " and name "HD2 ")
     (segid "    " and resid "38  " and name "HA  ")
 ASSI { 7880}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "37  " and name "HD2 ")
      2.700     2.700     0.000 peak  7880 weight  0.10000E+01 volume  0.65680E+01 ppm1      4.176 ppm2      3.553
 ASSI { 8136}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "46  " and name "HB2 ")
      2.700     2.700     0.000 peak  8136 weight  0.10000E+01 volume -0.48490E+01 ppm1      3.699 ppm2      0.770
 OR { 8136}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "46  " and name "HB1 ")
 OR { 8136}
     (segid "    " and resid "46  " and name "HA  ")
     (segid "    " and resid "46  " and name "HB3 ")
 ASSI { 8645}
     (segid "    " and resid "43  " and name "HA  ")
     (segid "    " and resid "69  " and name "HA  ")
      5.000     5.000     0.000 peak  8645 weight  0.10000E+01 volume  0.69900E+00 ppm1      5.283 ppm2      5.075
 ASSI { 6759}
     (segid "    " and resid "3   " and name "HA  ")
     (segid "    " and resid "3   " and name "HB2 ")
      5.000     5.000     0.000 peak  6759 weight  0.10000E+01 volume  0.32200E+00 ppm1      4.439 ppm2      1.383
 ASSI { 8412}
     (segid "    " and resid "60  " and name "HA  ")
     (segid "    " and resid "60  " and name "HB2 ")
      3.300     3.300     0.000 peak  8412 weight  0.10000E+01 volume  0.15680E+01 ppm1      4.447 ppm2      3.201
 ASSI { 6840}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "6   " and name "HD1 ")
      5.000     5.000     0.000 peak  6840 weight  0.10000E+01 volume -0.43500E+00 ppm1      5.230 ppm2      1.545
 OR { 6840}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "6   " and name "HD2 ")
 ASSI { 6933}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "12  " and name "HG22")
      6.000     6.000     0.000 peak  6933 weight  0.10000E+01 volume -0.26000E+00 ppm1      5.228 ppm2      1.065
 OR { 6933}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 6933}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "12  " and name "HG23")
 ASSI { 6923}
     (segid "    " and resid "6   " and name "HA  ")
     (segid "    " and resid "12  " and name "HA  ")
      5.000     5.000     0.000 peak  6923 weight  0.10000E+01 volume -0.72200E+00 ppm1      5.229 ppm2      5.071
 ASSI { 7388}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "17  " and name "HD21")
      6.000     6.000     0.000 peak  7388 weight  0.10000E+01 volume -0.13100E+00 ppm1      5.159 ppm2      0.751
 OR { 7388}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 7388}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "17  " and name "HD23")
 ASSI { 7312}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "16  " and name "HG1 ")
      5.000     5.000     0.000 peak  7312 weight  0.10000E+01 volume  0.55300E+00 ppm1      5.153 ppm2      2.032
 OR { 7312}
     (segid "    " and resid "16  " and name "HA  ")
     (segid "    " and resid "16  " and name "HG2 ")
 ASSI { 8997}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "4   " and name "HB2 ")
      5.000     5.000     0.000 peak  8997 weight  0.10000E+01 volume  0.30200E+00 ppm1      5.602 ppm2      3.073
 ASSI { 8214}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD11")
      5.000     5.000     0.000 peak  8214 weight  0.10000E+01 volume -0.47900E+00 ppm1      3.858 ppm2      0.466
 OR { 8214}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD12")
 OR { 8214}
     (segid "    " and resid "50  " and name "HA  ")
     (segid "    " and resid "50  " and name "HD13")
 ASSI { 8030}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "72  " and name "HD2 ")
      5.000     5.000     0.000 peak  8030 weight  0.10000E+01 volume  0.82300E+00 ppm1      4.454 ppm2      3.106
 OR { 8030}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "72  " and name "HD1 ")
 OR { 8030}
     (segid "    " and resid "42  " and name "HA  ")
     (segid "    " and resid "42  " and name "HD1 ")
 OR { 8030}
     (segid "    " and resid "39  " and name "HA  ")
     (segid "    " and resid "72  " and name "HD2 ")
 OR { 8030}
     (segid "    " and resid "42  " and name "HA  ")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 8030}
     (segid "    " and resid "42  " and name "HA  ")
     (segid "    " and resid "72  " and name "HD2 ")
 OR { 8030}
     (segid "    " and resid "42  " and name "HA  ")
     (segid "    " and resid "72  " and name "HD1 ")
 OR { 8030}
     (segid "    " and resid "39  " and name "HA  ")
     (segid "    " and resid "72  " and name "HD1 ")
 OR { 8030}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 8030}
     (segid "    " and resid "40  " and name "HA  ")
     (segid "    " and resid "42  " and name "HD1 ")
 OR { 8030}
     (segid "    " and resid "39  " and name "HA  ")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 8030}
     (segid "    " and resid "39  " and name "HA  ")
     (segid "    " and resid "42  " and name "HD1 ")
 ASSI { 8447}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD12")
      5.000     5.000     0.000 peak  8447 weight  0.10000E+01 volume -0.37600E+00 ppm1      3.694 ppm2      0.531
 OR { 8447}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 8447}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD11")
 ASSI { 8819}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "72  " and name "HD2 ")
      5.000     5.000     0.000 peak  8819 weight  0.10000E+01 volume  0.63700E+00 ppm1      4.226 ppm2      3.140
 OR { 8819}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "72  " and name "HD1 ")
 ASSI { 8440}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HG  ")
      5.000     5.000     0.000 peak  8440 weight  0.10000E+01 volume -0.76500E+00 ppm1      3.698 ppm2      1.105
 ASSI { 6832}
     (segid "    " and resid "11  " and name "HA  ")
     (segid "    " and resid "11  " and name "HG2 ")
      5.000     5.000     0.000 peak  6832 weight  0.10000E+01 volume -0.50400E+00 ppm1      4.354 ppm2      1.256
 ASSI { 8606}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG21")
      6.000     6.000     0.000 peak  8606 weight  0.10000E+01 volume -0.19900E+00 ppm1      5.189 ppm2      0.842
 OR { 8606}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 8606}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "67  " and name "HG22")
 ASSI { 6824}
     (segid "    " and resid "11  " and name "HA  ")
     (segid "    " and resid "11  " and name "HG1 ")
      5.000     5.000     0.000 peak  6824 weight  0.10000E+01 volume -0.54600E+00 ppm1      4.351 ppm2      1.420
 ASSI { 7839}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG23")
      3.300     3.300     0.000 peak  7839 weight  0.10000E+01 volume -0.15130E+01 ppm1      4.451 ppm2      0.949
 OR { 7839}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 7839}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG22")
 ASSI { 7873}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "37  " and name "HD1 ")
      2.700     2.700     0.000 peak  7873 weight  0.10000E+01 volume  0.35220E+01 ppm1      4.451 ppm2      4.177
 ASSI { 7888}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "37  " and name "HG1 ")
      5.000     5.000     0.000 peak  7888 weight  0.10000E+01 volume -0.42900E+00 ppm1      4.451 ppm2      2.059
 OR { 7888}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "37  " and name "HG2 ")
 OR { 7888}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "19  " and name "HG2 ")
 OR { 7888}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "19  " and name "HG2 ")
 OR { 7888}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "37  " and name "HG2 ")
 OR { 7888}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "37  " and name "HG1 ")
 ASSI { 6862}
     (segid "    " and resid "8   " and name "HA  ")
     (segid "    " and resid "8   " and name "HB2 ")
      3.300     3.300     0.000 peak  6862 weight  0.10000E+01 volume  0.15520E+01 ppm1      4.304 ppm2      1.752
 ASSI { 7751}
     (segid "    " and resid "33  " and name "HA  ")
     (segid "    " and resid "33  " and name "HD1 ")
      5.000     5.000     0.000 peak  7751 weight  0.10000E+01 volume -0.76400E+00 ppm1      4.336 ppm2      1.699
 OR { 7751}
     (segid "    " and resid "33  " and name "HA  ")
     (segid "    " and resid "33  " and name "HD2 ")
 ASSI { 8408}
     (segid "    " and resid "59  " and name "HA  ")
     (segid "    " and resid "59  " and name "HE1 ")
      6.000     6.000     0.000 peak  8408 weight  0.10000E+01 volume -0.13800E+00 ppm1      4.521 ppm2      6.865
 OR { 8408}
     (segid "    " and resid "59  " and name "HA  ")
     (segid "    " and resid "59  " and name "HE2 ")
 ASSI { 7652}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "29  " and name "HD1 ")
      5.000     5.000     0.000 peak  7652 weight  0.10000E+01 volume -0.88000E+00 ppm1      4.225 ppm2      1.793
 ASSI { 8755}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "8   " and name "HD12")
      5.000     5.000     0.000 peak  8755 weight  0.10000E+01 volume  0.65000E+00 ppm1      4.406 ppm2      1.011
 OR { 8755}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "8   " and name "HD11")
 OR { 8755}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "8   " and name "HD13")
 OR { 8755}
     (segid "    " and resid "70  " and name "HA  ")
     (segid "    " and resid "71  " and name "HD13")
 ASSI { 6959}
     (segid "    " and resid "55  " and name "HA  ")
     (segid "    " and resid "56  " and name "HG  ")
      6.000     6.000     0.000 peak  6959 weight  0.10000E+01 volume  0.21700E+00 ppm1      4.969 ppm2      1.701
 ASSI { 8292}
     (segid "    " and resid "55  " and name "HA  ")
     (segid "    " and resid "55  " and name "HB  ")
      5.000     5.000     0.000 peak  8292 weight  0.10000E+01 volume  0.57900E+00 ppm1      4.971 ppm2      4.595
 ASSI { 6880}
     (segid "    " and resid "9   " and name "HA  ")
     (segid "    " and resid "9   " and name "HB  ")
      3.300     3.300     0.000 peak  6880 weight  0.10000E+01 volume  0.15400E+01 ppm1      4.412 ppm2      4.564
 ASSI { 8346}
     (segid "    " and resid "57  " and name "HB1 ")
     (segid "    " and resid "57  " and name "HA  ")
      5.000     5.000     0.000 peak  8346 weight  0.10000E+01 volume  0.14470E+01 ppm1      3.778 ppm2      4.397
 ASSI { 8347}
     (segid "    " and resid "57  " and name "HB2 ")
     (segid "    " and resid "57  " and name "HA  ")
      3.300     3.300     0.000 peak  8347 weight  0.10000E+01 volume  0.18000E+01 ppm1      3.938 ppm2      4.421
 ASSI { 7431}
     (segid "    " and resid "57  " and name "HB1 ")
     (segid "    " and resid "19  " and name "HB2 ")
      5.000     5.000     0.000 peak  7431 weight  0.10000E+01 volume  0.59800E+00 ppm1      3.777 ppm2      2.020
 ASSI { 7462}
     (segid "    " and resid "20  " and name "HB1 ")
     (segid "    " and resid "20  " and name "HB2 ")
      2.700     2.700     0.000 peak  7462 weight  0.10000E+01 volume  0.37330E+01 ppm1      3.775 ppm2      4.120
 ASSI { 2094}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD12")
      5.000     5.000     0.000 peak  2094 weight  0.10000E+01 volume  0.33700E+00 ppm1      3.813 ppm2      0.557
 OR { 2094}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 2094}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 2094}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 2094}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD11")
 OR { 2094}
     (segid "    " and resid "65  " and name "HB1 ")
     (segid "    " and resid "3   " and name "HD13")
 ASSI { 8317}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "56  " and name "HB1 ")
      5.000     5.000     0.000 peak  8317 weight  0.10000E+01 volume -0.52100E+00 ppm1      4.121 ppm2      1.285
 ASSI { 5805}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "13  " and name "HB1 ")
      5.000     5.000     0.000 peak  5805 weight  0.10000E+01 volume  0.14820E+01 ppm1      8.560 ppm2      1.670
 OR { 5805}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG  ")
 OR { 5805}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "27  " and name "HD1 ")
 OR { 5805}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "27  " and name "HD2 ")
 OR { 5805}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB3 ")
 OR { 5805}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB1 ")
 OR { 5805}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB2 ")
 OR { 5805}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "13  " and name "HB1 ")
 OR { 5805}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG  ")
 OR { 5805}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB1 ")
 OR { 5805}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB2 ")
 OR { 5805}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB3 ")
 OR { 5805}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "27  " and name "HD1 ")
 OR { 5805}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "27  " and name "HD2 ")
 ASSI { 5657}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "27  " and name "HG1 ")
      2.700     2.700     0.000 peak  5657 weight  0.10000E+01 volume  0.30010E+01 ppm1      8.542 ppm2      1.487
 OR { 5657}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "27  " and name "HG2 ")
 OR { 5657}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "13  " and name "HB2 ")
 OR { 5657}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG  ")
 OR { 5657}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "13  " and name "HB2 ")
 OR { 5657}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG  ")
 OR { 5657}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "27  " and name "HG2 ")
 OR { 5657}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "27  " and name "HG1 ")
 ASSI { 5807}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD13")
      5.000     5.000     0.000 peak  5807 weight  0.10000E+01 volume  0.11930E+01 ppm1      8.559 ppm2      0.782
 OR { 5807}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 5807}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 5807}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 5807}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 5807}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 5807}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 5807}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 5807}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 5807}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 5807}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 5807}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 5807}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 5807}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 5807}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD12")
 OR { 5807}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 5807}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 5807}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 5807}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD12")
 OR { 5807}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 5807}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 5807}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 5807}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 5807}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 5807}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 5807}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 5807}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 5807}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 5807}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 5807}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 5807}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 5807}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 5807}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 5807}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG11")
 ASSI { 5974}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB1 ")
      6.000     6.000     0.000 peak  5974 weight  0.10000E+01 volume  0.14600E+00 ppm1      7.946 ppm2      1.629
 OR { 5974}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB2 ")
 OR { 5974}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB3 ")
 OR { 5974}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG2 ")
 ASSI { 1943}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "75  " and name "HA2 ")
      6.000     6.000     0.000 peak  1943 weight  0.10000E+01 volume  0.56000E-01 ppm1      8.431 ppm2      3.974
 OR { 1943}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "75  " and name "HA1 ")
 ASSI { 5850}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "16  " and name "HG2 ")
      5.000     5.000     0.000 peak  5850 weight  0.10000E+01 volume  0.11960E+01 ppm1      8.133 ppm2      1.990
 OR { 5850}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 5850}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "16  " and name "HG2 ")
 OR { 5850}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB2 ")
 ASSI { 5856}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD13")
      6.000     6.000     0.000 peak  5856 weight  0.10000E+01 volume  0.19400E+00 ppm1      8.143 ppm2      0.827
 OR { 5856}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD11")
 OR { 5856}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD12")
 OR { 5856}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 5856}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 5856}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 5856}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 5856}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 5856}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD13")
 OR { 5856}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 5856}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 5856}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 5856}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 5856}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 5856}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD12")
 OR { 5856}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 5856}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD11")
 OR { 5856}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 5856}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 5856}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 5856}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 5856}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 5856}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 5856}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 5856}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 5856}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 5856}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 5856}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 5856}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 5856}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 5856}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 5856}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD23")
 ASSI { 5842}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "15  " and name "HA  ")
      2.700     2.700     0.000 peak  5842 weight  0.10000E+01 volume  0.57850E+01 ppm1      8.144 ppm2      4.547
 OR { 5842}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "25  " and name "HA  ")
 OR { 5842}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "25  " and name "HA  ")
 OR { 5842}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "15  " and name "HA  ")
 ASSI { 5844}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "15  " and name "HB  ")
      2.700     2.700     0.000 peak  5844 weight  0.10000E+01 volume  0.41230E+01 ppm1      8.144 ppm2      1.771
 OR { 5844}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "16  " and name "HB2 ")
 ASSI { 6661}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HB1 ")
      3.300     3.300     0.000 peak  6661 weight  0.10000E+01 volume  0.29210E+01 ppm1      8.323 ppm2      1.672
 OR { 6661}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 6661}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 6661}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "73  " and name "HB1 ")
 ASSI { 5658}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "1   " and name "HG1 ")
      6.000     6.000     0.000 peak  5658 weight  0.10000E+01 volume  0.42000E-01 ppm1      8.744 ppm2      2.512
 ASSI { 5624}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "16  " and name "HA  ")
      5.000     5.000     0.000 peak  5624 weight  0.10000E+01 volume  0.36700E+00 ppm1      8.748 ppm2      5.174
 ASSI { 5659}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "64  " and name "HN  ")
      6.000     6.000     0.000 peak  5659 weight  0.10000E+01 volume  0.11600E+00 ppm1      8.744 ppm2      9.113
 ASSI { 5662}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "63  " and name "HG2 ")
      6.000     6.000     0.000 peak  5662 weight  0.10000E+01 volume  0.14600E+00 ppm1      8.744 ppm2      1.464
 ASSI { 5656}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "2   " and name "HA  ")
      5.000     5.000     0.000 peak  5656 weight  0.10000E+01 volume  0.94300E+00 ppm1      8.744 ppm2      4.633
 ASSI { 5653}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "2   " and name "HB2 ")
      5.000     5.000     0.000 peak  5653 weight  0.10000E+01 volume  0.13240E+01 ppm1      8.743 ppm2      1.721
 ASSI { 5652}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "2   " and name "HB1 ")
      3.300     3.300     0.000 peak  5652 weight  0.10000E+01 volume  0.22190E+01 ppm1      8.743 ppm2      1.862
 OR { 5652}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "2   " and name "HG2 ")
 ASSI { 5655}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "1   " and name "HB2 ")
      5.000     5.000     0.000 peak  5655 weight  0.10000E+01 volume  0.13800E+01 ppm1      8.743 ppm2      1.958
 OR { 5655}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "63  " and name "HB1 ")
 ASSI { 5654}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "1   " and name "HB1 ")
      5.000     5.000     0.000 peak  5654 weight  0.10000E+01 volume  0.10040E+01 ppm1      8.743 ppm2      2.148
 OR { 5654}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "2   " and name "HG1 ")
 OR { 5654}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 5654}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "64  " and name "HG1 ")
 ASSI { 5664}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "14  " and name "HG22")
      6.000     6.000     0.000 peak  5664 weight  0.10000E+01 volume  0.23500E+00 ppm1      8.745 ppm2      1.082
 OR { 5664}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "14  " and name "HG23")
 OR { 5664}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "14  " and name "HG21")
 ASSI { 5660}
     (segid "    " and resid "2   " and name "HN  ")
     (segid "    " and resid "63  " and name "HG1 ")
      6.000     6.000     0.000 peak  5660 weight  0.10000E+01 volume  0.18100E+00 ppm1      8.743 ppm2      1.532
 ASSI { 5644}
     (segid "    " and resid "2   " and name "HE21")
     (segid "    " and resid "16  " and name "HN  ")
      6.000     6.000     0.000 peak  5644 weight  0.10000E+01 volume  0.17800E+00 ppm1      7.426 ppm2      8.137
 ASSI { 5642}
     (segid "    " and resid "2   " and name "HE21")
     (segid "    " and resid "2   " and name "HG2 ")
      5.000     5.000     0.000 peak  5642 weight  0.10000E+01 volume  0.33600E+00 ppm1      7.422 ppm2      1.821
 OR { 5642}
     (segid "    " and resid "2   " and name "HE21")
     (segid "    " and resid "16  " and name "HB1 ")
 ASSI { 5640}
     (segid "    " and resid "2   " and name "HE21")
     (segid "    " and resid "2   " and name "HE22")
      2.700     2.700     0.000 peak  5640 weight  0.10000E+01 volume  0.16011E+02 ppm1      7.418 ppm2      6.701
 ASSI { 5648}
     (segid "    " and resid "2   " and name "HE22")
     (segid "    " and resid "16  " and name "HB1 ")
      6.000     6.000     0.000 peak  5648 weight  0.10000E+01 volume  0.15000E+00 ppm1      6.702 ppm2      1.806
 OR { 5648}
     (segid "    " and resid "2   " and name "HE22")
     (segid "    " and resid "16  " and name "HB2 ")
 OR { 5648}
     (segid "    " and resid "2   " and name "HE22")
     (segid "    " and resid "2   " and name "HG2 ")
 ASSI { 5670}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "2   " and name "HG2 ")
      5.000     5.000     0.000 peak  5670 weight  0.10000E+01 volume  0.80200E+00 ppm1      8.766 ppm2      1.845
 OR { 5670}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "2   " and name "HB1 ")
 ASSI { 5673}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "2   " and name "HG1 ")
      5.000     5.000     0.000 peak  5673 weight  0.10000E+01 volume  0.42900E+00 ppm1      8.766 ppm2      2.162
 OR { 5673}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "1   " and name "HG2 ")
 ASSI { 5677}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "17  " and name "HN  ")
      6.000     6.000     0.000 peak  5677 weight  0.10000E+01 volume  0.66000E-01 ppm1      8.763 ppm2      8.285
 ASSI { 5672}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "3   " and name "HD22")
      6.000     6.000     0.000 peak  5672 weight  0.10000E+01 volume  0.29100E+00 ppm1      8.765 ppm2      0.721
 OR { 5672}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "3   " and name "HD23")
 OR { 5672}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "3   " and name "HD21")
 OR { 5672}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "17  " and name "HD21")
 OR { 5672}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 5672}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG21")
 OR { 5672}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "15  " and name "HG13")
 OR { 5672}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG22")
 OR { 5672}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 5672}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "15  " and name "HG11")
 OR { 5672}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG23")
 OR { 5672}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 5672}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "26  " and name "HD12")
 ASSI { 5661}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "2   " and name "HA  ")
      2.700     2.700     0.000 peak  5661 weight  0.10000E+01 volume  0.38000E+01 ppm1      8.765 ppm2      4.644
 ASSI { 5669}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "14  " and name "HG21")
      5.000     5.000     0.000 peak  5669 weight  0.10000E+01 volume  0.67600E+00 ppm1      8.765 ppm2      1.111
 OR { 5669}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "14  " and name "HG22")
 OR { 5669}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "14  " and name "HG23")
 OR { 5669}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "3   " and name "HB1 ")
 ASSI { 5663}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "3   " and name "HB2 ")
      5.000     5.000     0.000 peak  5663 weight  0.10000E+01 volume  0.14840E+01 ppm1      8.765 ppm2      1.381
 OR { 5663}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "3   " and name "HG  ")
 ASSI { 5667}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "15  " and name "HG21")
      5.000     5.000     0.000 peak  5667 weight  0.10000E+01 volume  0.57100E+00 ppm1      8.766 ppm2      0.571
 OR { 5667}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "15  " and name "HG23")
 OR { 5667}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 5667}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 5667}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "3   " and name "HD13")
 OR { 5667}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "3   " and name "HD11")
 ASSI { 5671}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "2   " and name "HB2 ")
      5.000     5.000     0.000 peak  5671 weight  0.10000E+01 volume  0.53300E+00 ppm1      8.766 ppm2      1.726
 OR { 5671}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "15  " and name "HB  ")
 ASSI { 5668}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "16  " and name "HA  ")
      5.000     5.000     0.000 peak  5668 weight  0.10000E+01 volume  0.78100E+00 ppm1      8.766 ppm2      5.161
 OR { 5668}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "14  " and name "HA  ")
 ASSI { 5674}
     (segid "    " and resid "3   " and name "HN  ")
     (segid "    " and resid "4   " and name "HN  ")
      6.000     6.000     0.000 peak  5674 weight  0.10000E+01 volume  0.85000E-01 ppm1      8.760 ppm2      8.417
 ASSI { 5639}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "4   " and name "HE1 ")
      6.000     6.000     0.000 peak  5639 weight  0.10000E+01 volume  0.49000E-01 ppm1      8.400 ppm2      7.234
 OR { 5639}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "4   " and name "HE2 ")
 OR { 5639}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "4   " and name "HZ  ")
 ASSI { 5637}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HD12")
      6.000     6.000     0.000 peak  5637 weight  0.10000E+01 volume  0.20400E+00 ppm1      8.400 ppm2      0.601
 OR { 5637}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "15  " and name "HG23")
 OR { 5637}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HD11")
 OR { 5637}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "15  " and name "HG21")
 OR { 5637}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 5637}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HD13")
 ASSI { 5634}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HN  ")
      6.000     6.000     0.000 peak  5634 weight  0.10000E+01 volume  0.11800E+00 ppm1      8.397 ppm2      8.763
 OR { 5634}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "15  " and name "HN  ")
 ASSI { 5636}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "67  " and name "HG12")
      6.000     6.000     0.000 peak  5636 weight  0.10000E+01 volume  0.77000E-01 ppm1      8.395 ppm2      0.882
 OR { 5636}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "66  " and name "HG22")
 OR { 5636}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "66  " and name "HG21")
 OR { 5636}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "66  " and name "HG23")
 OR { 5636}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 5636}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "67  " and name "HG21")
 ASSI { 5632}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HD23")
      5.000     5.000     0.000 peak  5632 weight  0.10000E+01 volume  0.50500E+00 ppm1      8.397 ppm2      0.719
 OR { 5632}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HD22")
 OR { 5632}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HD21")
 OR { 5632}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG21")
 OR { 5632}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG23")
 OR { 5632}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG22")
 ASSI { 5629}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "66  " and name "HA  ")
      5.000     5.000     0.000 peak  5629 weight  0.10000E+01 volume  0.59800E+00 ppm1      8.397 ppm2      5.232
 OR { 5629}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "14  " and name "HA  ")
 ASSI { 5635}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "67  " and name "HN  ")
      6.000     6.000     0.000 peak  5635 weight  0.10000E+01 volume  0.11100E+00 ppm1      8.396 ppm2      9.338
 ASSI { 5631}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HB2 ")
      5.000     5.000     0.000 peak  5631 weight  0.10000E+01 volume  0.56200E+00 ppm1      8.397 ppm2      1.381
 OR { 5631}
     (segid "    " and resid "4   " and name "HN  ")
     (segid "    " and resid "3   " and name "HG  ")
 ASSI { 5692}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "4   " and name "HN  ")
      6.000     6.000     0.000 peak  5692 weight  0.10000E+01 volume  0.14200E+00 ppm1      9.211 ppm2      8.402
 ASSI { 5688}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "4   " and name "HD1 ")
      6.000     6.000     0.000 peak  5688 weight  0.10000E+01 volume  0.11200E+00 ppm1      9.213 ppm2      7.096
 OR { 5688}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "4   " and name "HD2 ")
 ASSI { 5689}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "13  " and name "HD21")
      6.000     6.000     0.000 peak  5689 weight  0.10000E+01 volume  0.16800E+00 ppm1      9.213 ppm2      0.799
 OR { 5689}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 5689}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 5689}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 5689}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 5689}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 5689}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 5689}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "26  " and name "HD12")
 OR { 5689}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 5689}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 5689}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 5689}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 5689}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 5689}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 5689}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 5689}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "69  " and name "HD23")
 OR { 5689}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "69  " and name "HD21")
 OR { 5689}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 5689}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "69  " and name "HD22")
 ASSI { 5685}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "13  " and name "HG  ")
      5.000     5.000     0.000 peak  5685 weight  0.10000E+01 volume  0.53800E+00 ppm1      9.212 ppm2      1.679
 OR { 5685}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "13  " and name "HB1 ")
 OR { 5685}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "6   " and name "HB2 ")
 ASSI { 5690}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "13  " and name "HB2 ")
      6.000     6.000     0.000 peak  5690 weight  0.10000E+01 volume  0.10600E+00 ppm1      9.213 ppm2      1.504
 ASSI { 5693}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "15  " and name "HN  ")
      6.000     6.000     0.000 peak  5693 weight  0.10000E+01 volume  0.61000E-01 ppm1      9.213 ppm2      8.778
 OR { 5693}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "3   " and name "HN  ")
 OR { 5693}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "7   " and name "HN  ")
 ASSI { 5678}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG21")
      3.300     3.300     0.000 peak  5678 weight  0.10000E+01 volume  0.18230E+01 ppm1      9.212 ppm2      0.687
 OR { 5678}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG23")
 OR { 5678}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG22")
 OR { 5678}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG12")
 OR { 5678}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG11")
 ASSI { 5680}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "13  " and name "HN  ")
      5.000     5.000     0.000 peak  5680 weight  0.10000E+01 volume  0.80800E+00 ppm1      9.213 ppm2      9.685
 ASSI { 5694}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "15  " and name "HG22")
      6.000     6.000     0.000 peak  5694 weight  0.10000E+01 volume  0.10700E+00 ppm1      9.213 ppm2      0.575
 OR { 5694}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "15  " and name "HG21")
 OR { 5694}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "15  " and name "HG23")
 ASSI { 5691}
     (segid "    " and resid "5   " and name "HN  ")
     (segid "    " and resid "6   " and name "HN  ")
      6.000     6.000     0.000 peak  5691 weight  0.10000E+01 volume  0.23000E-01 ppm1      9.214 ppm2      8.975
 ASSI { 5712}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "4   " and name "HB2 ")
      6.000     6.000     0.000 peak  5712 weight  0.10000E+01 volume  0.10300E+00 ppm1      8.964 ppm2      3.064
 OR { 5712}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "68  " and name "HB1 ")
 OR { 5712}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "68  " and name "HB2 ")
 ASSI { 5704}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "67  " and name "HN  ")
      5.000     5.000     0.000 peak  5704 weight  0.10000E+01 volume  0.34300E+00 ppm1      8.967 ppm2      9.337
 OR { 5704}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "68  " and name "HN  ")
 ASSI { 5702}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "66  " and name "HG21")
      5.000     5.000     0.000 peak  5702 weight  0.10000E+01 volume  0.50000E+00 ppm1      8.964 ppm2      0.886
 OR { 5702}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "66  " and name "HG23")
 OR { 5702}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "66  " and name "HG22")
 OR { 5702}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 5702}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 5702}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "67  " and name "HG22")
 ASSI { 5696}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "5   " and name "HA  ")
      2.700     2.700     0.000 peak  5696 weight  0.10000E+01 volume  0.47160E+01 ppm1      8.964 ppm2      4.994
 ASSI { 5697}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG11")
      3.300     3.300     0.000 peak  5697 weight  0.10000E+01 volume  0.15620E+01 ppm1      8.967 ppm2      0.675
 OR { 5697}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG13")
 OR { 5697}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG12")
 OR { 5697}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG22")
 OR { 5697}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG21")
 ASSI { 5706}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "5   " and name "HB  ")
      6.000     6.000     0.000 peak  5706 weight  0.10000E+01 volume  0.17400E+00 ppm1      8.964 ppm2      1.913
 ASSI { 5707}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "12  " and name "HG21")
      6.000     6.000     0.000 peak  5707 weight  0.10000E+01 volume  0.11400E+00 ppm1      8.964 ppm2      1.076
 OR { 5707}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 5707}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "12  " and name "HG23")
 OR { 5707}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "69  " and name "HB2 ")
 ASSI { 5703}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "69  " and name "HN  ")
      6.000     6.000     0.000 peak  5703 weight  0.10000E+01 volume  0.25300E+00 ppm1      8.968 ppm2      8.316
 ASSI { 5699}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "6   " and name "HB2 ")
      5.000     5.000     0.000 peak  5699 weight  0.10000E+01 volume  0.90700E+00 ppm1      8.964 ppm2      1.670
 OR { 5699}
     (segid "    " and resid "6   " and name "HN  ")
     (segid "    " and resid "69  " and name "HB1 ")
 ASSI { 5718}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "11  " and name "HG2 ")
      6.000     6.000     0.000 peak  5718 weight  0.10000E+01 volume  0.25900E+00 ppm1      8.760 ppm2      1.266
 OR { 5718}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "6   " and name "HG2 ")
 OR { 5718}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "9   " and name "HG22")
 ASSI { 5722}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG13")
      6.000     6.000     0.000 peak  5722 weight  0.10000E+01 volume  0.13700E+00 ppm1      8.760 ppm2      0.680
 OR { 5722}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG12")
 OR { 5722}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG11")
 OR { 5722}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG22")
 OR { 5722}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG23")
 OR { 5722}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "30  " and name "HG21")
 OR { 5722}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "5   " and name "HG21")
 OR { 5722}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "30  " and name "HG22")
 ASSI { 5717}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "6   " and name "HG1 ")
      5.000     5.000     0.000 peak  5717 weight  0.10000E+01 volume  0.36300E+00 ppm1      8.759 ppm2      1.387
 OR { 5717}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "6   " and name "HB1 ")
 ASSI { 5725}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "13  " and name "HD12")
      6.000     6.000     0.000 peak  5725 weight  0.10000E+01 volume  0.11000E+00 ppm1      8.757 ppm2      0.812
 OR { 5725}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 5725}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 5725}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 5725}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 5725}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 5725}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 5725}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 5725}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 5725}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 5725}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 5725}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 5725}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 5725}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 5725}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 5725}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "70  " and name "HG21")
 OR { 5725}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 5725}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 5725}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 5725}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 5725}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "43  " and name "HD22")
 ASSI { 5715}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "11  " and name "HN  ")
      5.000     5.000     0.000 peak  5715 weight  0.10000E+01 volume  0.37800E+00 ppm1      8.759 ppm2      7.279
 ASSI { 5723}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "10  " and name "HA1 ")
      6.000     6.000     0.000 peak  5723 weight  0.10000E+01 volume  0.10900E+00 ppm1      8.758 ppm2      4.335
 OR { 5723}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "11  " and name "HA  ")
 OR { 5723}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "8   " and name "HA  ")
 ASSI { 5714}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "7   " and name "HA  ")
      5.000     5.000     0.000 peak  5714 weight  0.10000E+01 volume  0.55700E+00 ppm1      8.762 ppm2      4.887
 ASSI { 5727}
     (segid "    " and resid "7   " and name "HN  ")
     (segid "    " and resid "13  " and name "HN  ")
      6.000     6.000     0.000 peak  5727 weight  0.10000E+01 volume  0.88000E-01 ppm1      8.758 ppm2      9.689
 ASSI { 5734}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "69  " and name "HD22")
      6.000     6.000     0.000 peak  5734 weight  0.10000E+01 volume  0.25700E+00 ppm1      9.064 ppm2      0.745
 OR { 5734}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "69  " and name "HD23")
 OR { 5734}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "69  " and name "HD21")
 OR { 5734}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 5734}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 5734}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "13  " and name "HD21")
 ASSI { 5731}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "9   " and name "HN  ")
      5.000     5.000     0.000 peak  5731 weight  0.10000E+01 volume  0.62900E+00 ppm1      9.064 ppm2      7.649
 ASSI { 5733}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "8   " and name "HD13")
      5.000     5.000     0.000 peak  5733 weight  0.10000E+01 volume  0.34300E+00 ppm1      9.063 ppm2      0.994
 OR { 5733}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "8   " and name "HD22")
 OR { 5733}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "8   " and name "HD12")
 OR { 5733}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "8   " and name "HD21")
 OR { 5733}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "8   " and name "HD23")
 OR { 5733}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "8   " and name "HD11")
 ASSI { 5719}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "8   " and name "HG  ")
      3.300     3.300     0.000 peak  5719 weight  0.10000E+01 volume  0.22840E+01 ppm1      9.063 ppm2      1.908
 OR { 5719}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "8   " and name "HB1 ")
 ASSI { 5735}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "69  " and name "HD11")
      6.000     6.000     0.000 peak  5735 weight  0.10000E+01 volume  0.16100E+00 ppm1      9.062 ppm2      0.819
 OR { 5735}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 5735}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 5735}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 5735}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "70  " and name "HG23")
 OR { 5735}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 5735}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 5735}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "70  " and name "HG21")
 OR { 5735}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 5735}
     (segid "    " and resid "8   " and name "HN  ")
     (segid "    " and resid "43  " and name "HD21")
 ASSI { 5741}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "8   " and name "HB1 ")
      6.000     6.000     0.000 peak  5741 weight  0.10000E+01 volume  0.17700E+00 ppm1      7.646 ppm2      1.910
 OR { 5741}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "8   " and name "HG  ")
 ASSI { 5742}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "8   " and name "HA  ")
      5.000     5.000     0.000 peak  5742 weight  0.10000E+01 volume  0.35600E+00 ppm1      7.644 ppm2      4.296
 OR { 5742}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "10  " and name "HA1 ")
 ASSI { 5745}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "8   " and name "HB2 ")
      6.000     6.000     0.000 peak  5745 weight  0.10000E+01 volume  0.19000E+00 ppm1      7.645 ppm2      1.729
 OR { 5745}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "11  " and name "HB2 ")
 ASSI { 5743}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "9   " and name "HB  ")
      6.000     6.000     0.000 peak  5743 weight  0.10000E+01 volume  0.12100E+00 ppm1      7.645 ppm2      4.573
 ASSI { 5739}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "9   " and name "HA  ")
      5.000     5.000     0.000 peak  5739 weight  0.10000E+01 volume  0.48800E+00 ppm1      7.645 ppm2      4.411
 ASSI { 5744}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "11  " and name "HN  ")
      6.000     6.000     0.000 peak  5744 weight  0.10000E+01 volume  0.82000E-01 ppm1      7.645 ppm2      7.279
 ASSI { 5737}
     (segid "    " and resid "9   " and name "HN  ")
     (segid "    " and resid "10  " and name "HN  ")
      5.000     5.000     0.000 peak  5737 weight  0.10000E+01 volume  0.10930E+01 ppm1      7.644 ppm2      7.823
 ASSI { 5757}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "8   " and name "HN  ")
      6.000     6.000     0.000 peak  5757 weight  0.10000E+01 volume  0.19900E+00 ppm1      7.827 ppm2      9.070
 ASSI { 5748}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "10  " and name "HA1 ")
      3.300     3.300     0.000 peak  5748 weight  0.10000E+01 volume  0.19350E+01 ppm1      7.822 ppm2      4.309
 OR { 5748}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "8   " and name "HA  ")
 ASSI { 5747}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "10  " and name "HA2 ")
      2.700     2.700     0.000 peak  5747 weight  0.10000E+01 volume  0.30950E+01 ppm1      7.822 ppm2      3.602
 ASSI { 5754}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "11  " and name "HB2 ")
      6.000     6.000     0.000 peak  5754 weight  0.10000E+01 volume  0.18300E+00 ppm1      7.817 ppm2      1.690
 OR { 5754}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "6   " and name "HB2 ")
 OR { 5754}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "11  " and name "HD1 ")
 ASSI { 5749}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "11  " and name "HN  ")
      3.300     3.300     0.000 peak  5749 weight  0.10000E+01 volume  0.19850E+01 ppm1      7.822 ppm2      7.275
 ASSI { 5756}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "9   " and name "HB  ")
      6.000     6.000     0.000 peak  5756 weight  0.10000E+01 volume  0.10500E+00 ppm1      7.824 ppm2      4.571
 ASSI { 5753}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "11  " and name "HG2 ")
      6.000     6.000     0.000 peak  5753 weight  0.10000E+01 volume  0.19000E+00 ppm1      7.822 ppm2      1.252
 OR { 5753}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "9   " and name "HG22")
 OR { 5753}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "9   " and name "HG21")
 OR { 5753}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "9   " and name "HG23")
 ASSI { 5759}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "7   " and name "HG23")
      6.000     6.000     0.000 peak  5759 weight  0.10000E+01 volume  0.89000E-01 ppm1      7.826 ppm2      1.126
 OR { 5759}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "7   " and name "HG21")
 OR { 5759}
     (segid "    " and resid "10  " and name "HN  ")
     (segid "    " and resid "7   " and name "HG22")
 ASSI { 5768}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "11  " and name "HG1 ")
      5.000     5.000     0.000 peak  5768 weight  0.10000E+01 volume  0.31200E+00 ppm1      7.274 ppm2      1.401
 ASSI { 5769}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "11  " and name "HG2 ")
      6.000     6.000     0.000 peak  5769 weight  0.10000E+01 volume  0.24000E+00 ppm1      7.275 ppm2      1.251
 OR { 5769}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "9   " and name "HG22")
 OR { 5769}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "9   " and name "HG21")
 OR { 5769}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "9   " and name "HG23")
 ASSI { 5763}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "11  " and name "HA  ")
      3.300     3.300     0.000 peak  5763 weight  0.10000E+01 volume  0.18510E+01 ppm1      7.273 ppm2      4.337
 OR { 5763}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "10  " and name "HA1 ")
 ASSI { 5772}
     (segid "    " and resid "11  " and name "HN  ")
     (segid "    " and resid "12  " and name "HN  ")
      6.000     6.000     0.000 peak  5772 weight  0.10000E+01 volume  0.10600E+00 ppm1      7.282 ppm2      8.605
 ASSI { 5779}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "11  " and name "HG2 ")
      5.000     5.000     0.000 peak  5779 weight  0.10000E+01 volume  0.37400E+00 ppm1      8.611 ppm2      1.245
 ASSI { 5782}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HG21")
      5.000     5.000     0.000 peak  5782 weight  0.10000E+01 volume  0.30400E+00 ppm1      8.611 ppm2      1.049
 OR { 5782}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 5782}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "12  " and name "HG23")
 ASSI { 5781}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "11  " and name "HG1 ")
      6.000     6.000     0.000 peak  5781 weight  0.10000E+01 volume  0.27600E+00 ppm1      8.611 ppm2      1.403
 OR { 5781}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "6   " and name "HB1 ")
 ASSI { 5780}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "11  " and name "HD1 ")
      5.000     5.000     0.000 peak  5780 weight  0.10000E+01 volume  0.43100E+00 ppm1      8.608 ppm2      1.671
 OR { 5780}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "11  " and name "HB2 ")
 OR { 5780}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "11  " and name "HD2 ")
 OR { 5780}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "6   " and name "HB2 ")
 ASSI { 5784}
     (segid "    " and resid "12  " and name "HN  ")
     (segid "    " and resid "13  " and name "HN  ")
      6.000     6.000     0.000 peak  5784 weight  0.10000E+01 volume  0.12300E+00 ppm1      8.614 ppm2      9.689
 ASSI { 5796}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "5   " and name "HG12")
      6.000     6.000     0.000 peak  5796 weight  0.10000E+01 volume  0.25600E+00 ppm1      9.686 ppm2      0.676
 OR { 5796}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "5   " and name "HG13")
 OR { 5796}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "5   " and name "HG11")
 OR { 5796}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "5   " and name "HG22")
 OR { 5796}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "5   " and name "HG21")
 OR { 5796}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "5   " and name "HG23")
 OR { 5796}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG11")
 OR { 5796}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG13")
 ASSI { 5800}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "7   " and name "HN  ")
      6.000     6.000     0.000 peak  5800 weight  0.10000E+01 volume  0.10200E+00 ppm1      9.684 ppm2      8.768
 OR { 5800}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "15  " and name "HN  ")
 ASSI { 5793}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD12")
      5.000     5.000     0.000 peak  5793 weight  0.10000E+01 volume  0.47500E+00 ppm1      9.685 ppm2      0.802
 OR { 5793}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 5793}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 5793}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 5793}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 5793}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD21")
 ASSI { 5787}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "13  " and name "HB1 ")
      3.300     3.300     0.000 peak  5787 weight  0.10000E+01 volume  0.22280E+01 ppm1      9.685 ppm2      1.676
 OR { 5787}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "13  " and name "HG  ")
 ASSI { 5794}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "6   " and name "HA  ")
      5.000     5.000     0.000 peak  5794 weight  0.10000E+01 volume  0.52500E+00 ppm1      9.684 ppm2      5.226
 OR { 5794}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "14  " and name "HA  ")
 ASSI { 5798}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "12  " and name "HN  ")
      6.000     6.000     0.000 peak  5798 weight  0.10000E+01 volume  0.17300E+00 ppm1      9.686 ppm2      8.594
 OR { 5798}
     (segid "    " and resid "13  " and name "HN  ")
     (segid "    " and resid "14  " and name "HN  ")
 ASSI { 5809}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "13  " and name "HN  ")
      6.000     6.000     0.000 peak  5809 weight  0.10000E+01 volume  0.52000E-01 ppm1      8.562 ppm2      9.687
 ASSI { 5806}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "14  " and name "HG23")
      5.000     5.000     0.000 peak  5806 weight  0.10000E+01 volume  0.63300E+00 ppm1      8.561 ppm2      1.081
 OR { 5806}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "14  " and name "HG21")
 OR { 5806}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "14  " and name "HG22")
 OR { 5806}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 5806}
     (segid "    " and resid "14  " and name "HN  ")
     (segid "    " and resid "12  " and name "HG21")
 ASSI { 5837}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "4   " and name "HD1 ")
      6.000     6.000     0.000 peak  5837 weight  0.10000E+01 volume  0.70000E-01 ppm1      8.752 ppm2      7.101
 OR { 5837}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "4   " and name "HD2 ")
 ASSI { 5831}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "4   " and name "HA  ")
      5.000     5.000     0.000 peak  5831 weight  0.10000E+01 volume  0.30700E+00 ppm1      8.753 ppm2      5.597
 ASSI { 5838}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "2   " and name "HG1 ")
      6.000     6.000     0.000 peak  5838 weight  0.10000E+01 volume  0.54000E-01 ppm1      8.753 ppm2      2.165
 OR { 5838}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "29  " and name "HB2 ")
 OR { 5838}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "64  " and name "HG2 ")
 ASSI { 5825}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG23")
      5.000     5.000     0.000 peak  5825 weight  0.10000E+01 volume  0.12620E+01 ppm1      8.756 ppm2      0.567
 OR { 5825}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 5825}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG21")
 ASSI { 5828}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG11")
      5.000     5.000     0.000 peak  5828 weight  0.10000E+01 volume  0.63900E+00 ppm1      8.757 ppm2      0.703
 OR { 5828}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG13")
 OR { 5828}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 5828}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "5   " and name "HG23")
 OR { 5828}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "5   " and name "HG22")
 OR { 5828}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "5   " and name "HG21")
 ASSI { 5826}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "14  " and name "HG23")
      5.000     5.000     0.000 peak  5826 weight  0.10000E+01 volume  0.10510E+01 ppm1      8.756 ppm2      1.082
 OR { 5826}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "14  " and name "HG22")
 OR { 5826}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "14  " and name "HG21")
 ASSI { 5833}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "14  " and name "HN  ")
      6.000     6.000     0.000 peak  5833 weight  0.10000E+01 volume  0.57000E-01 ppm1      8.759 ppm2      8.551
 ASSI { 5829}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "15  " and name "HB  ")
      5.000     5.000     0.000 peak  5829 weight  0.10000E+01 volume  0.69300E+00 ppm1      8.756 ppm2      1.766
 OR { 5829}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "2   " and name "HB2 ")
 ASSI { 5834}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "3   " and name "HB2 ")
      6.000     6.000     0.000 peak  5834 weight  0.10000E+01 volume  0.16600E+00 ppm1      8.756 ppm2      1.379
 OR { 5834}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "3   " and name "HG  ")
 ASSI { 5830}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "14  " and name "HB  ")
      5.000     5.000     0.000 peak  5830 weight  0.10000E+01 volume  0.34100E+00 ppm1      8.756 ppm2      3.998
 ASSI { 5836}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "16  " and name "HN  ")
      6.000     6.000     0.000 peak  5836 weight  0.10000E+01 volume  0.45000E-01 ppm1      8.756 ppm2      8.135
 ASSI { 5835}
     (segid "    " and resid "15  " and name "HN  ")
     (segid "    " and resid "5   " and name "HN  ")
      6.000     6.000     0.000 peak  5835 weight  0.10000E+01 volume  0.21000E-01 ppm1      8.751 ppm2      9.213
 ASSI { 5851}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG13")
      5.000     5.000     0.000 peak  5851 weight  0.10000E+01 volume  0.95100E+00 ppm1      8.143 ppm2      0.716
 OR { 5851}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 5851}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 5851}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD21")
 OR { 5851}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG11")
 OR { 5851}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD23")
 ASSI { 5857}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "3   " and name "HN  ")
      6.000     6.000     0.000 peak  5857 weight  0.10000E+01 volume  0.11700E+00 ppm1      8.147 ppm2      8.761
 OR { 5857}
     (segid "    " and resid "16  " and name "HN  ")
     (segid "    " and resid "15  " and name "HN  ")
 ASSI { 5867}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "3   " and name "HN  ")
      6.000     6.000     0.000 peak  5867 weight  0.10000E+01 volume  0.93000E-01 ppm1      8.289 ppm2      8.766
 OR { 5867}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "2   " and name "HN  ")
 OR { 5867}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "15  " and name "HN  ")
 ASSI { 5869}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "1   " and name "HB1 ")
      6.000     6.000     0.000 peak  5869 weight  0.10000E+01 volume  0.23400E+00 ppm1      8.292 ppm2      2.112
 OR { 5869}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "16  " and name "HG1 ")
 ASSI { 5862}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "17  " and name "HA  ")
      5.000     5.000     0.000 peak  5862 weight  0.10000E+01 volume  0.92600E+00 ppm1      8.291 ppm2      4.729
 ASSI { 5864}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "17  " and name "HB1 ")
      5.000     5.000     0.000 peak  5864 weight  0.10000E+01 volume  0.95800E+00 ppm1      8.290 ppm2      1.838
 OR { 5864}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "16  " and name "HB2 ")
 OR { 5864}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "16  " and name "HB1 ")
 ASSI { 5866}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "3   " and name "HD13")
      6.000     6.000     0.000 peak  5866 weight  0.10000E+01 volume  0.23000E+00 ppm1      8.292 ppm2      0.571
 OR { 5866}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "3   " and name "HD11")
 OR { 5866}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 5866}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 5866}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG23")
 OR { 5866}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG21")
 ASSI { 5868}
     (segid "    " and resid "17  " and name "HN  ")
     (segid "    " and resid "18  " and name "HN  ")
      6.000     6.000     0.000 peak  5868 weight  0.10000E+01 volume  0.23000E+00 ppm1      8.292 ppm2      9.341
 ASSI { 5886}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "3   " and name "HD13")
      6.000     6.000     0.000 peak  5886 weight  0.10000E+01 volume -0.24000E-01 ppm1      9.351 ppm2      0.572
 OR { 5886}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "3   " and name "HD11")
 OR { 5886}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 5886}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 5886}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 5886}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 5886}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG22")
 OR { 5886}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG21")
 ASSI { 5885}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "19  " and name "HD2 ")
      6.000     6.000     0.000 peak  5885 weight  0.10000E+01 volume  0.68000E-01 ppm1      9.352 ppm2      3.783
 OR { 5885}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "20  " and name "HB1 ")
 ASSI { 5871}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "17  " and name "HA  ")
      2.700     2.700     0.000 peak  5871 weight  0.10000E+01 volume  0.30850E+01 ppm1      9.354 ppm2      4.725
 ASSI { 5882}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "21  " and name "HN  ")
      6.000     6.000     0.000 peak  5882 weight  0.10000E+01 volume  0.16000E+00 ppm1      9.354 ppm2      7.838
 ASSI { 5874}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "18  " and name "HG2 ")
      3.300     3.300     0.000 peak  5874 weight  0.10000E+01 volume  0.19440E+01 ppm1      9.353 ppm2      2.222
 OR { 5874}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "18  " and name "HB1 ")
 ASSI { 5873}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "17  " and name "HG  ")
      3.300     3.300     0.000 peak  5873 weight  0.10000E+01 volume  0.25790E+01 ppm1      9.354 ppm2      1.714
 OR { 5873}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "18  " and name "HB2 ")
 ASSI { 5877}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "18  " and name "HA  ")
      5.000     5.000     0.000 peak  5877 weight  0.10000E+01 volume  0.98200E+00 ppm1      9.353 ppm2      4.840
 ASSI { 5880}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD23")
      5.000     5.000     0.000 peak  5880 weight  0.10000E+01 volume  0.39300E+00 ppm1      9.352 ppm2      0.712
 OR { 5880}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 5880}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 5880}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 5880}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 5880}
     (segid "    " and resid "18  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD21")
 ASSI { 5890}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "18  " and name "HB1 ")
      5.000     5.000     0.000 peak  5890 weight  0.10000E+01 volume  0.13010E+01 ppm1      7.051 ppm2      2.198
 OR { 5890}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "19  " and name "HG1 ")
 ASSI { 5891}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "19  " and name "HA  ")
      5.000     5.000     0.000 peak  5891 weight  0.10000E+01 volume  0.95100E+00 ppm1      7.050 ppm2      4.123
 OR { 5891}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "20  " and name "HB2 ")
 ASSI { 5892}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "19  " and name "HB2 ")
      5.000     5.000     0.000 peak  5892 weight  0.10000E+01 volume  0.68500E+00 ppm1      7.049 ppm2      2.021
 OR { 5892}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "19  " and name "HG2 ")
 ASSI { 5888}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "20  " and name "HB1 ")
      5.000     5.000     0.000 peak  5888 weight  0.10000E+01 volume  0.13290E+01 ppm1      7.050 ppm2      3.780
 OR { 5888}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "19  " and name "HD2 ")
 ASSI { 5895}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "19  " and name "HB1 ")
      5.000     5.000     0.000 peak  5895 weight  0.10000E+01 volume  0.32600E+00 ppm1      7.056 ppm2      2.374
 OR { 5895}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "18  " and name "HG1 ")
 ASSI { 5887}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "21  " and name "HN  ")
      3.300     3.300     0.000 peak  5887 weight  0.10000E+01 volume  0.16680E+01 ppm1      7.050 ppm2      7.836
 ASSI { 5897}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB2 ")
      6.000     6.000     0.000 peak  5897 weight  0.10000E+01 volume  0.10800E+00 ppm1      7.049 ppm2      3.079
 ASSI { 5896}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "18  " and name "HA  ")
      6.000     6.000     0.000 peak  5896 weight  0.10000E+01 volume  0.11100E+00 ppm1      7.050 ppm2      4.826
 OR { 5896}
     (segid "    " and resid "20  " and name "HN  ")
     (segid "    " and resid "21  " and name "HA  ")
 ASSI { 5917}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD12")
      6.000     6.000     0.000 peak  5917 weight  0.10000E+01 volume  0.72000E-01 ppm1      7.835 ppm2      0.831
 OR { 5917}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD11")
 OR { 5917}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD13")
 ASSI { 5906}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "18  " and name "HB1 ")
      5.000     5.000     0.000 peak  5906 weight  0.10000E+01 volume  0.41500E+00 ppm1      7.836 ppm2      2.198
 ASSI { 5915}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "55  " and name "HB  ")
      6.000     6.000     0.000 peak  5915 weight  0.10000E+01 volume  0.12500E+00 ppm1      7.836 ppm2      4.592
 OR { 5915}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "22  " and name "HB  ")
 ASSI { 5913}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB2 ")
      6.000     6.000     0.000 peak  5913 weight  0.10000E+01 volume  0.14700E+00 ppm1      7.839 ppm2      2.006
 OR { 5913}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "19  " and name "HB2 ")
 ASSI { 5911}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "56  " and name "HN  ")
      6.000     6.000     0.000 peak  5911 weight  0.10000E+01 volume  0.54000E-01 ppm1      7.837 ppm2      8.660
 OR { 5911}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "57  " and name "HN  ")
 ASSI { 5912}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG23")
      6.000     6.000     0.000 peak  5912 weight  0.10000E+01 volume  0.14800E+00 ppm1      7.840 ppm2      1.242
 OR { 5912}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG23")
 OR { 5912}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG21")
 OR { 5912}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 5912}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 5912}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG22")
 OR { 5912}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB1 ")
 OR { 5912}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "17  " and name "HB2 ")
 ASSI { 5909}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "20  " and name "HB1 ")
      6.000     6.000     0.000 peak  5909 weight  0.10000E+01 volume  0.15600E+00 ppm1      7.841 ppm2      3.782
 OR { 5909}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "19  " and name "HD2 ")
 ASSI { 5905}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD12")
      5.000     5.000     0.000 peak  5905 weight  0.10000E+01 volume  0.33500E+00 ppm1      7.837 ppm2      0.695
 OR { 5905}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 5905}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD13")
 ASSI { 5904}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "20  " and name "HB2 ")
      5.000     5.000     0.000 peak  5904 weight  0.10000E+01 volume  0.41800E+00 ppm1      7.836 ppm2      4.121
 OR { 5904}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "19  " and name "HA  ")
 ASSI { 5903}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "18  " and name "HB2 ")
      5.000     5.000     0.000 peak  5903 weight  0.10000E+01 volume  0.70400E+00 ppm1      7.837 ppm2      1.706
 OR { 5903}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "56  " and name "HG  ")
 ASSI { 5898}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB2 ")
      2.700     2.700     0.000 peak  5898 weight  0.10000E+01 volume  0.35940E+01 ppm1      7.836 ppm2      3.073
 ASSI { 5901}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "21  " and name "HA  ")
      5.000     5.000     0.000 peak  5901 weight  0.10000E+01 volume  0.11900E+01 ppm1      7.834 ppm2      4.842
 ASSI { 5910}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "22  " and name "HN  ")
      6.000     6.000     0.000 peak  5910 weight  0.10000E+01 volume  0.13900E+00 ppm1      7.839 ppm2      8.238
 ASSI { 5916}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "18  " and name "HG1 ")
      6.000     6.000     0.000 peak  5916 weight  0.10000E+01 volume  0.12600E+00 ppm1      7.837 ppm2      2.361
 OR { 5916}
     (segid "    " and resid "21  " and name "HN  ")
     (segid "    " and resid "19  " and name "HB1 ")
 ASSI { 5924}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "22  " and name "HB  ")
      6.000     6.000     0.000 peak  5924 weight  0.10000E+01 volume  0.86000E-01 ppm1      8.236 ppm2      4.596
 OR { 5924}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "25  " and name "HA  ")
 ASSI { 5923}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "25  " and name "HD21")
      6.000     6.000     0.000 peak  5923 weight  0.10000E+01 volume  0.15600E+00 ppm1      8.232 ppm2      8.027
 ASSI { 5921}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "25  " and name "HB2 ")
      5.000     5.000     0.000 peak  5921 weight  0.10000E+01 volume  0.12700E+01 ppm1      8.235 ppm2      3.129
 OR { 5921}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB2 ")
 ASSI { 5918}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "21  " and name "HA  ")
      2.700     2.700     0.000 peak  5918 weight  0.10000E+01 volume  0.38490E+01 ppm1      8.235 ppm2      4.850
 ASSI { 5927}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD12")
      6.000     6.000     0.000 peak  5927 weight  0.10000E+01 volume  0.63000E-01 ppm1      8.232 ppm2      0.697
 OR { 5927}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD13")
 OR { 5927}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD11")
 OR { 5927}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD23")
 OR { 5927}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 5927}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD22")
 OR { 5927}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 5927}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG13")
 ASSI { 5925}
     (segid "    " and resid "22  " and name "HN  ")
     (segid "    " and resid "25  " and name "HD22")
      6.000     6.000     0.000 peak  5925 weight  0.10000E+01 volume  0.90000E-01 ppm1      8.235 ppm2      6.890
 ASSI { 5937}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "54  " and name "HN  ")
      6.000     6.000     0.000 peak  5937 weight  0.10000E+01 volume  0.14700E+00 ppm1      8.374 ppm2      7.490
 ASSI { 5941}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB2 ")
      6.000     6.000     0.000 peak  5941 weight  0.10000E+01 volume  0.15100E+00 ppm1      8.374 ppm2      2.330
 OR { 5941}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 5941}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "24  " and name "HG2 ")
 OR { 5941}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "26  " and name "HB1 ")
 ASSI { 5939}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "52  " and name "HA  ")
      6.000     6.000     0.000 peak  5939 weight  0.10000E+01 volume  0.15100E+00 ppm1      8.376 ppm2      4.260
 OR { 5939}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "53  " and name "HA1 ")
 ASSI { 5943}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB2 ")
      6.000     6.000     0.000 peak  5943 weight  0.10000E+01 volume  0.47000E-01 ppm1      8.377 ppm2      1.996
 OR { 5943}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB1 ")
 OR { 5943}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB2 ")
 ASSI { 2379}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "25  " and name "HN  ")
      6.000     6.000     0.000 peak  2379 weight  0.10000E+01 volume  0.37000E-01 ppm1      8.374 ppm2      7.938
 ASSI { 5933}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG22")
      5.000     5.000     0.000 peak  5933 weight  0.10000E+01 volume  0.76300E+00 ppm1      8.375 ppm2      1.234
 OR { 5933}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG23")
 OR { 5933}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 5933}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG21")
 OR { 5933}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "26  " and name "HB2 ")
 OR { 5933}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG23")
 ASSI { 5935}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG13")
      5.000     5.000     0.000 peak  5935 weight  0.10000E+01 volume  0.54000E+00 ppm1      8.374 ppm2      0.717
 OR { 5935}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 5935}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 5935}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD12")
 ASSI { 5929}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "23  " and name "HB  ")
      3.300     3.300     0.000 peak  5929 weight  0.10000E+01 volume  0.26160E+01 ppm1      8.375 ppm2      2.188
 ASSI { 5940}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HB  ")
      6.000     6.000     0.000 peak  5940 weight  0.10000E+01 volume  0.12300E+00 ppm1      8.376 ppm2      4.604
 ASSI { 5930}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "22  " and name "HA  ")
      3.300     3.300     0.000 peak  5930 weight  0.10000E+01 volume  0.27910E+01 ppm1      8.375 ppm2      4.892
 ASSI { 5934}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "24  " and name "HN  ")
      5.000     5.000     0.000 peak  5934 weight  0.10000E+01 volume  0.65600E+00 ppm1      8.375 ppm2     10.178
 ASSI { 5942}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "56  " and name "HN  ")
      6.000     6.000     0.000 peak  5942 weight  0.10000E+01 volume  0.14700E+00 ppm1      8.374 ppm2      8.657
 OR { 5942}
     (segid "    " and resid "23  " and name "HN  ")
     (segid "    " and resid "55  " and name "HN  ")
 ASSI { 5957}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "22  " and name "HA  ")
      6.000     6.000     0.000 peak  5957 weight  0.10000E+01 volume  0.95000E-01 ppm1     10.167 ppm2      4.905
 ASSI { 5956}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG21")
      6.000     6.000     0.000 peak  5956 weight  0.10000E+01 volume  0.22200E+00 ppm1     10.174 ppm2      1.233
 OR { 5956}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG23")
 OR { 5956}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 5956}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "26  " and name "HB2 ")
 ASSI { 5951}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "24  " and name "HG1 ")
      5.000     5.000     0.000 peak  5951 weight  0.10000E+01 volume  0.31500E+00 ppm1     10.172 ppm2      2.463
 OR { 5951}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "52  " and name "HB2 ")
 ASSI { 5949}
     (segid "    " and resid "24  " and name "HN  ")
     (segid "    " and resid "25  " and name "HN  ")
      5.000     5.000     0.000 peak  5949 weight  0.10000E+01 volume  0.54900E+00 ppm1     10.173 ppm2      7.949
 ASSI { 5972}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD21")
      6.000     6.000     0.000 peak  5972 weight  0.10000E+01 volume  0.11600E+00 ppm1      7.947 ppm2      0.725
 OR { 5972}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 5972}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 5972}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD23")
 OR { 5972}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 5972}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 5972}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 5972}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 5972}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 5972}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD12")
 ASSI { 5967}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "24  " and name "HG2 ")
      6.000     6.000     0.000 peak  5967 weight  0.10000E+01 volume  0.29000E+00 ppm1      7.949 ppm2      2.332
 OR { 5967}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "26  " and name "HB1 ")
 ASSI { 5968}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "22  " and name "HN  ")
      5.000     5.000     0.000 peak  5968 weight  0.10000E+01 volume  0.43200E+00 ppm1      7.953 ppm2      8.231
 ASSI { 5965}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "24  " and name "HG1 ")
      5.000     5.000     0.000 peak  5965 weight  0.10000E+01 volume  0.37200E+00 ppm1      7.953 ppm2      2.460
 ASSI { 5973}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "27  " and name "HN  ")
      6.000     6.000     0.000 peak  5973 weight  0.10000E+01 volume  0.79000E-01 ppm1      7.947 ppm2      8.546
 ASSI { 5958}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "26  " and name "HN  ")
      3.300     3.300     0.000 peak  5958 weight  0.10000E+01 volume  0.16070E+01 ppm1      7.952 ppm2      7.735
 ASSI { 5969}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG21")
      6.000     6.000     0.000 peak  5969 weight  0.10000E+01 volume  0.24600E+00 ppm1      7.952 ppm2      1.248
 OR { 5969}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG22")
 OR { 5969}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG23")
 OR { 5969}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "26  " and name "HB2 ")
 ASSI { 5961}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "25  " and name "HA  ")
      5.000     5.000     0.000 peak  5961 weight  0.10000E+01 volume  0.11840E+01 ppm1      7.952 ppm2      4.564
 ASSI { 5976}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "22  " and name "HA  ")
      6.000     6.000     0.000 peak  5976 weight  0.10000E+01 volume  0.90000E-01 ppm1      7.946 ppm2      4.886
 OR { 5976}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "21  " and name "HA  ")
 ASSI { 5966}
     (segid "    " and resid "25  " and name "HN  ")
     (segid "    " and resid "25  " and name "HD22")
      5.000     5.000     0.000 peak  5966 weight  0.10000E+01 volume  0.31600E+00 ppm1      7.956 ppm2      6.905
 ASSI { 5986}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "21  " and name "HB1 ")
      6.000     6.000     0.000 peak  5986 weight  0.10000E+01 volume  0.10000E+00 ppm1      8.057 ppm2      2.720
 ASSI { 5987}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "22  " and name "HG21")
      6.000     6.000     0.000 peak  5987 weight  0.10000E+01 volume  0.69000E-01 ppm1      8.054 ppm2      1.224
 OR { 5987}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "22  " and name "HG22")
 OR { 5987}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "22  " and name "HG23")
 OR { 5987}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "26  " and name "HB2 ")
 ASSI { 5985}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "21  " and name "HA  ")
      6.000     6.000     0.000 peak  5985 weight  0.10000E+01 volume  0.14100E+00 ppm1      8.059 ppm2      4.850
 ASSI { 5980}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "25  " and name "HA  ")
      5.000     5.000     0.000 peak  5980 weight  0.10000E+01 volume  0.65300E+00 ppm1      8.059 ppm2      4.566
 ASSI { 5823}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "25  " and name "HD22")
      2.700     2.700     0.000 peak  5823 weight  0.10000E+01 volume  0.13446E+02 ppm1      8.058 ppm2      6.890
 ASSI { 5990}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "28  " and name "HB1 ")
      6.000     6.000     0.000 peak  5990 weight  0.10000E+01 volume  0.68000E-01 ppm1      8.057 ppm2      1.620
 OR { 5990}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "28  " and name "HB2 ")
 OR { 5990}
     (segid "    " and resid "25  " and name "HD21")
     (segid "    " and resid "28  " and name "HB3 ")
 ASSI { 5999}
     (segid "    " and resid "25  " and name "HD22")
     (segid "    " and resid "22  " and name "HG21")
      6.000     6.000     0.000 peak  5999 weight  0.10000E+01 volume  0.43000E-01 ppm1      6.888 ppm2      1.231
 OR { 5999}
     (segid "    " and resid "25  " and name "HD22")
     (segid "    " and resid "22  " and name "HG22")
 OR { 5999}
     (segid "    " and resid "25  " and name "HD22")
     (segid "    " and resid "22  " and name "HG23")
 OR { 5999}
     (segid "    " and resid "25  " and name "HD22")
     (segid "    " and resid "26  " and name "HB2 ")
 ASSI { 5998}
     (segid "    " and resid "25  " and name "HD22")
     (segid "    " and resid "21  " and name "HB1 ")
      6.000     6.000     0.000 peak  5998 weight  0.10000E+01 volume  0.52000E-01 ppm1      6.891 ppm2      2.702
 ASSI { 6012}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "17  " and name "HG  ")
      6.000     6.000     0.000 peak  6012 weight  0.10000E+01 volume  0.16200E+00 ppm1      7.736 ppm2      1.662
 OR { 6012}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "29  " and name "HD2 ")
 OR { 6012}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "56  " and name "HG  ")
 OR { 6012}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB3 ")
 OR { 6012}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB1 ")
 OR { 6012}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB2 ")
 OR { 6012}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "27  " and name "HD1 ")
 OR { 6012}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "27  " and name "HD2 ")
 ASSI { 6007}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD21")
      5.000     5.000     0.000 peak  6007 weight  0.10000E+01 volume  0.10580E+01 ppm1      7.735 ppm2      0.727
 OR { 6007}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD23")
 OR { 6007}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 6007}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 6007}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 6007}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD12")
 OR { 6007}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 6007}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 6007}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 6007}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG13")
 ASSI { 6008}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "27  " and name "HG2 ")
      5.000     5.000     0.000 peak  6008 weight  0.10000E+01 volume  0.64400E+00 ppm1      7.735 ppm2      1.459
 OR { 6008}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG  ")
 OR { 6008}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "27  " and name "HG1 ")
 ASSI { 6013}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB2 ")
      6.000     6.000     0.000 peak  6013 weight  0.10000E+01 volume  0.68000E-01 ppm1      7.734 ppm2      2.008
 OR { 6013}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB1 ")
 OR { 6013}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "24  " and name "HB2 ")
 ASSI { 6010}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "25  " and name "HA  ")
      5.000     5.000     0.000 peak  6010 weight  0.10000E+01 volume  0.33300E+00 ppm1      7.735 ppm2      4.566
 ASSI { 6014}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "24  " and name "HN  ")
      6.000     6.000     0.000 peak  6014 weight  0.10000E+01 volume  0.36000E-01 ppm1      7.735 ppm2     10.169
 ASSI { 6001}
     (segid "    " and resid "26  " and name "HN  ")
     (segid "    " and resid "27  " and name "HN  ")
      5.000     5.000     0.000 peak  6001 weight  0.10000E+01 volume  0.12060E+01 ppm1      7.735 ppm2      8.548
 ASSI { 5822}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "27  " and name "HE2 ")
      6.000     6.000     0.000 peak  5822 weight  0.10000E+01 volume  0.40000E-01 ppm1      8.541 ppm2      2.578
 ASSI { 2486}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "27  " and name "HE1 ")
      6.000     6.000     0.000 peak  2486 weight  0.10000E+01 volume  0.15000E-01 ppm1      8.542 ppm2      2.739
 OR { 2486}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "21  " and name "HB1 ")
 ASSI { 5820}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "38  " and name "HG1 ")
      6.000     6.000     0.000 peak  5820 weight  0.10000E+01 volume  0.61000E-01 ppm1      8.545 ppm2      2.204
 OR { 5820}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "30  " and name "HB  ")
 OR { 5820}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "23  " and name "HB  ")
 ASSI { 5812}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "28  " and name "HN  ")
      5.000     5.000     0.000 peak  5812 weight  0.10000E+01 volume  0.94700E+00 ppm1      8.545 ppm2      8.134
 ASSI { 5817}
     (segid "    " and resid "27  " and name "HN  ")
     (segid "    " and resid "27  " and name "HA  ")
      5.000     5.000     0.000 peak  5817 weight  0.10000E+01 volume  0.62200E+00 ppm1      8.545 ppm2      4.620
 ASSI { 5860}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "26  " and name "HA  ")
      6.000     6.000     0.000 peak  5860 weight  0.10000E+01 volume  0.88000E-01 ppm1      8.134 ppm2      4.010
 ASSI { 5852}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB1 ")
      5.000     5.000     0.000 peak  5852 weight  0.10000E+01 volume  0.83100E+00 ppm1      8.132 ppm2      1.452
 OR { 5852}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "27  " and name "HG2 ")
 ASSI { 5846}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "29  " and name "HN  ")
      5.000     5.000     0.000 peak  5846 weight  0.10000E+01 volume  0.13060E+01 ppm1      8.133 ppm2      7.859
 ASSI { 5859}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "26  " and name "HB1 ")
      6.000     6.000     0.000 peak  5859 weight  0.10000E+01 volume  0.17900E+00 ppm1      8.133 ppm2      2.399
 OR { 5859}
     (segid "    " and resid "28  " and name "HN  ")
     (segid "    " and resid "31  " and name "HB1 ")
 ASSI { 6026}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "31  " and name "HN  ")
      6.000     6.000     0.000 peak  6026 weight  0.10000E+01 volume  0.16000E+00 ppm1      7.853 ppm2      8.582
 OR { 6026}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "27  " and name "HN  ")
 ASSI { 6020}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HD1 ")
      5.000     5.000     0.000 peak  6020 weight  0.10000E+01 volume  0.12960E+01 ppm1      7.855 ppm2      1.827
 OR { 6020}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HB1 ")
 OR { 6020}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG11")
 ASSI { 1940}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG12")
      6.000     6.000     0.000 peak  1940 weight  0.10000E+01 volume  0.24700E+00 ppm1      7.856 ppm2      0.690
 OR { 1940}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG11")
 OR { 1940}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG13")
 OR { 1940}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 1940}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG23")
 OR { 1940}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG22")
 OR { 1940}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG21")
 OR { 1940}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD23")
 OR { 1940}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD22")
 OR { 1940}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD21")
 OR { 1940}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "5   " and name "HG23")
 OR { 1940}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG12")
 OR { 1940}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG13")
 ASSI { 6023}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD11")
      5.000     5.000     0.000 peak  6023 weight  0.10000E+01 volume  0.42100E+00 ppm1      7.855 ppm2      0.789
 OR { 6023}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 6023}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD21")
 OR { 6023}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD12")
 OR { 6023}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD23")
 OR { 6023}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 6023}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 6023}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 6023}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD12")
 ASSI { 6016}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG2 ")
      2.700     2.700     0.000 peak  6016 weight  0.10000E+01 volume  0.32780E+01 ppm1      7.855 ppm2      1.601
 OR { 6016}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB2 ")
 OR { 6016}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB3 ")
 OR { 6016}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB1 ")
 ASSI { 6019}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HA  ")
      3.300     3.300     0.000 peak  6019 weight  0.10000E+01 volume  0.17170E+01 ppm1      7.854 ppm2      4.219
 OR { 6019}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HA  ")
 ASSI { 6024}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "25  " and name "HA  ")
      6.000     6.000     0.000 peak  6024 weight  0.10000E+01 volume  0.12400E+00 ppm1      7.851 ppm2      4.576
 ASSI { 6017}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "30  " and name "HN  ")
      3.300     3.300     0.000 peak  6017 weight  0.10000E+01 volume  0.29640E+01 ppm1      7.855 ppm2      8.109
 OR { 6017}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "28  " and name "HN  ")
 ASSI { 6027}
     (segid "    " and resid "29  " and name "HN  ")
     (segid "    " and resid "29  " and name "HE2 ")
      6.000     6.000     0.000 peak  6027 weight  0.10000E+01 volume  0.32000E-01 ppm1      7.854 ppm2      3.013
 ASSI { 6040}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "26  " and name "HA  ")
      6.000     6.000     0.000 peak  6040 weight  0.10000E+01 volume  0.77000E-01 ppm1      8.097 ppm2      4.018
 ASSI { 6037}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "27  " and name "HA  ")
      6.000     6.000     0.000 peak  6037 weight  0.10000E+01 volume  0.23100E+00 ppm1      8.091 ppm2      4.627
 ASSI { 6036}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG2 ")
      5.000     5.000     0.000 peak  6036 weight  0.10000E+01 volume  0.38100E+00 ppm1      8.092 ppm2      1.620
 OR { 6036}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "29  " and name "HD2 ")
 OR { 6036}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "33  " and name "HG1 ")
 OR { 6036}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB2 ")
 OR { 6036}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB3 ")
 OR { 6036}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB1 ")
 ASSI { 6035}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "29  " and name "HA  ")
      5.000     5.000     0.000 peak  6035 weight  0.10000E+01 volume  0.39900E+00 ppm1      8.092 ppm2      4.208
 OR { 6035}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "28  " and name "HA  ")
 ASSI { 6033}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD11")
      5.000     5.000     0.000 peak  6033 weight  0.10000E+01 volume  0.10700E+01 ppm1      8.091 ppm2      0.799
 OR { 6033}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 6033}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD12")
 OR { 6033}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 6033}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 6033}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 6033}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD21")
 OR { 6033}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD22")
 OR { 6033}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 6033}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD23")
 OR { 6033}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 6033}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD23")
 ASSI { 6029}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "29  " and name "HB2 ")
      2.700     2.700     0.000 peak  6029 weight  0.10000E+01 volume  0.33070E+01 ppm1      8.091 ppm2      2.191
 OR { 6029}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HB  ")
 ASSI { 6039}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG  ")
      6.000     6.000     0.000 peak  6039 weight  0.10000E+01 volume  0.90000E-01 ppm1      8.097 ppm2      1.440
 OR { 6039}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 6039}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "27  " and name "HG2 ")
 OR { 6039}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "36  " and name "HB  ")
 ASSI { 6031}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG12")
      3.300     3.300     0.000 peak  6031 weight  0.10000E+01 volume  0.17150E+01 ppm1      8.091 ppm2      0.665
 OR { 6031}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG23")
 OR { 6031}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG22")
 ASSI { 6028}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG11")
      3.300     3.300     0.000 peak  6028 weight  0.10000E+01 volume  0.24340E+01 ppm1      8.090 ppm2      1.804
 OR { 6028}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "29  " and name "HB1 ")
 ASSI { 6034}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "30  " and name "HA  ")
      5.000     5.000     0.000 peak  6034 weight  0.10000E+01 volume  0.85500E+00 ppm1      8.092 ppm2      3.439
 ASSI { 6038}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "41  " and name "HE21")
      6.000     6.000     0.000 peak  6038 weight  0.10000E+01 volume  0.11000E+00 ppm1      8.094 ppm2      6.686
 ASSI { 6030}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "29  " and name "HN  ")
      5.000     5.000     0.000 peak  6030 weight  0.10000E+01 volume  0.14960E+01 ppm1      8.091 ppm2      7.857
 ASSI { 6032}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "31  " and name "HN  ")
      5.000     5.000     0.000 peak  6032 weight  0.10000E+01 volume  0.11250E+01 ppm1      8.091 ppm2      8.629
 ASSI { 6041}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "31  " and name "HB1 ")
      6.000     6.000     0.000 peak  6041 weight  0.10000E+01 volume  0.79000E-01 ppm1      8.093 ppm2      2.419
 OR { 6041}
     (segid "    " and resid "30  " and name "HN  ")
     (segid "    " and resid "26  " and name "HB1 ")
 ASSI { 6057}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "33  " and name "HN  ")
      6.000     6.000     0.000 peak  6057 weight  0.10000E+01 volume  0.32000E-01 ppm1      8.629 ppm2      7.345
 ASSI { 6056}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "36  " and name "HB  ")
      6.000     6.000     0.000 peak  6056 weight  0.10000E+01 volume  0.91000E-01 ppm1      8.628 ppm2      1.437
 OR { 6056}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 6056}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG11")
 OR { 6056}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "26  " and name "HG  ")
 ASSI { 6051}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "41  " and name "HE22")
      5.000     5.000     0.000 peak  6051 weight  0.10000E+01 volume  0.36100E+00 ppm1      8.629 ppm2      6.425
 ASSI { 6053}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD11")
      6.000     6.000     0.000 peak  6053 weight  0.10000E+01 volume  0.24700E+00 ppm1      8.628 ppm2      0.795
 OR { 6053}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 6053}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 6053}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD13")
 OR { 6053}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 6053}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD12")
 OR { 6053}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 6053}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 6053}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 6053}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 6053}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 6053}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 6053}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD21")
 OR { 6053}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD22")
 OR { 6053}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD23")
 OR { 6053}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 6053}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 6053}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "17  " and name "HD22")
 ASSI { 6047}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "41  " and name "HE21")
      5.000     5.000     0.000 peak  6047 weight  0.10000E+01 volume  0.98500E+00 ppm1      8.628 ppm2      6.687
 ASSI { 6050}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "38  " and name "HG2 ")
      5.000     5.000     0.000 peak  6050 weight  0.10000E+01 volume  0.30800E+00 ppm1      8.629 ppm2      1.622
 OR { 6050}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB1 ")
 OR { 6050}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB2 ")
 OR { 6050}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB3 ")
 OR { 6050}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "33  " and name "HG1 ")
 OR { 6050}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "29  " and name "HD2 ")
 OR { 6050}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG2 ")
 OR { 6050}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG2 ")
 ASSI { 6045}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HB  ")
      3.300     3.300     0.000 peak  6045 weight  0.10000E+01 volume  0.16530E+01 ppm1      8.628 ppm2      2.204
 ASSI { 6055}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "29  " and name "HN  ")
      6.000     6.000     0.000 peak  6055 weight  0.10000E+01 volume  0.98000E-01 ppm1      8.624 ppm2      7.862
 ASSI { 6042}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "32  " and name "HN  ")
      3.300     3.300     0.000 peak  6042 weight  0.10000E+01 volume  0.27540E+01 ppm1      8.628 ppm2      8.092
 OR { 6042}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HN  ")
 ASSI { 6046}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "31  " and name "HA  ")
      5.000     5.000     0.000 peak  6046 weight  0.10000E+01 volume  0.11280E+01 ppm1      8.628 ppm2      3.774
 ASSI { 6052}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HA  ")
      6.000     6.000     0.000 peak  6052 weight  0.10000E+01 volume  0.22900E+00 ppm1      8.628 ppm2      3.439
 ASSI { 6049}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG22")
      5.000     5.000     0.000 peak  6049 weight  0.10000E+01 volume  0.77200E+00 ppm1      8.628 ppm2      0.653
 OR { 6049}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG23")
 OR { 6049}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG21")
 OR { 6049}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG12")
 ASSI { 6054}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "27  " and name "HA  ")
      5.000     5.000     0.000 peak  6054 weight  0.10000E+01 volume  0.61500E+00 ppm1      8.628 ppm2      4.626
 OR { 6054}
     (segid "    " and resid "31  " and name "HN  ")
     (segid "    " and resid "37  " and name "HA  ")
 ASSI { 6062}
     (segid "    " and resid "31  " and name "HE21")
     (segid "    " and resid "31  " and name "HB1 ")
      6.000     6.000     0.000 peak  6062 weight  0.10000E+01 volume  0.25600E+00 ppm1      7.620 ppm2      2.420
 OR { 6062}
     (segid "    " and resid "31  " and name "HE21")
     (segid "    " and resid "37  " and name "HB1 ")
 ASSI { 6059}
     (segid "    " and resid "31  " and name "HE21")
     (segid "    " and resid "31  " and name "HG2 ")
      5.000     5.000     0.000 peak  6059 weight  0.10000E+01 volume  0.83400E+00 ppm1      7.620 ppm2      1.919
 OR { 6059}
     (segid "    " and resid "31  " and name "HE21")
     (segid "    " and resid "31  " and name "HB2 ")
 ASSI { 6064}
     (segid "    " and resid "31  " and name "HE21")
     (segid "    " and resid "37  " and name "HG1 ")
      6.000     6.000     0.000 peak  6064 weight  0.10000E+01 volume  0.15600E+00 ppm1      7.618 ppm2      2.031
 OR { 6064}
     (segid "    " and resid "31  " and name "HE21")
     (segid "    " and resid "27  " and name "HB2 ")
 OR { 6064}
     (segid "    " and resid "31  " and name "HE21")
     (segid "    " and resid "37  " and name "HG2 ")
 OR { 6064}
     (segid "    " and resid "31  " and name "HE21")
     (segid "    " and resid "38  " and name "HB2 ")
 ASSI { 6063}
     (segid "    " and resid "31  " and name "HE21")
     (segid "    " and resid "37  " and name "HA  ")
      6.000     6.000     0.000 peak  6063 weight  0.10000E+01 volume  0.17000E+00 ppm1      7.623 ppm2      4.619
 ASSI { 6058}
     (segid "    " and resid "31  " and name "HE21")
     (segid "    " and resid "31  " and name "HE22")
      2.700     2.700     0.000 peak  6058 weight  0.10000E+01 volume  0.13114E+02 ppm1      7.620 ppm2      6.811
 ASSI { 6065}
     (segid "    " and resid "31  " and name "HE21")
     (segid "    " and resid "28  " and name "HA  ")
      6.000     6.000     0.000 peak  6065 weight  0.10000E+01 volume  0.60000E-01 ppm1      7.623 ppm2      4.174
 OR { 6065}
     (segid "    " and resid "31  " and name "HE21")
     (segid "    " and resid "37  " and name "HD1 ")
 ASSI { 6072}
     (segid "    " and resid "31  " and name "HE22")
     (segid "    " and resid "37  " and name "HA  ")
      6.000     6.000     0.000 peak  6072 weight  0.10000E+01 volume  0.15500E+00 ppm1      6.811 ppm2      4.620
 ASSI { 6076}
     (segid "    " and resid "31  " and name "HE22")
     (segid "    " and resid "37  " and name "HG1 ")
      6.000     6.000     0.000 peak  6076 weight  0.10000E+01 volume  0.97000E-01 ppm1      6.808 ppm2      2.031
 OR { 6076}
     (segid "    " and resid "31  " and name "HE22")
     (segid "    " and resid "38  " and name "HB2 ")
 OR { 6076}
     (segid "    " and resid "31  " and name "HE22")
     (segid "    " and resid "37  " and name "HG2 ")
 OR { 6076}
     (segid "    " and resid "31  " and name "HE22")
     (segid "    " and resid "27  " and name "HB2 ")
 ASSI { 6070}
     (segid "    " and resid "31  " and name "HE22")
     (segid "    " and resid "31  " and name "HG2 ")
      5.000     5.000     0.000 peak  6070 weight  0.10000E+01 volume  0.43200E+00 ppm1      6.810 ppm2      1.924
 OR { 6070}
     (segid "    " and resid "31  " and name "HE22")
     (segid "    " and resid "31  " and name "HB2 ")
 ASSI { 6073}
     (segid "    " and resid "31  " and name "HE22")
     (segid "    " and resid "31  " and name "HG1 ")
      6.000     6.000     0.000 peak  6073 weight  0.10000E+01 volume  0.15100E+00 ppm1      6.812 ppm2      2.246
 OR { 6073}
     (segid "    " and resid "31  " and name "HE22")
     (segid "    " and resid "38  " and name "HG1 ")
 ASSI { 6074}
     (segid "    " and resid "31  " and name "HE22")
     (segid "    " and resid "37  " and name "HB1 ")
      6.000     6.000     0.000 peak  6074 weight  0.10000E+01 volume  0.19700E+00 ppm1      6.811 ppm2      2.418
 OR { 6074}
     (segid "    " and resid "31  " and name "HE22")
     (segid "    " and resid "31  " and name "HB1 ")
 ASSI { 6085}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "31  " and name "HG2 ")
      5.000     5.000     0.000 peak  6085 weight  0.10000E+01 volume  0.65400E+00 ppm1      8.081 ppm2      1.907
 OR { 6085}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "31  " and name "HB2 ")
 ASSI { 6086}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "31  " and name "HG1 ")
      5.000     5.000     0.000 peak  6086 weight  0.10000E+01 volume  0.30200E+00 ppm1      8.080 ppm2      2.247
 OR { 6086}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "30  " and name "HB  ")
 ASSI { 6087}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "31  " and name "HA  ")
      5.000     5.000     0.000 peak  6087 weight  0.10000E+01 volume  0.33500E+00 ppm1      8.080 ppm2      3.773
 ASSI { 6081}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "31  " and name "HN  ")
      5.000     5.000     0.000 peak  6081 weight  0.10000E+01 volume  0.10680E+01 ppm1      8.080 ppm2      8.630
 ASSI { 6084}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "29  " and name "HA  ")
      5.000     5.000     0.000 peak  6084 weight  0.10000E+01 volume  0.94200E+00 ppm1      8.081 ppm2      4.206
 OR { 6084}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "28  " and name "HA  ")
 ASSI { 6080}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "33  " and name "HN  ")
      5.000     5.000     0.000 peak  6080 weight  0.10000E+01 volume  0.11770E+01 ppm1      8.081 ppm2      7.342
 ASSI { 6088}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "33  " and name "HG2 ")
      6.000     6.000     0.000 peak  6088 weight  0.10000E+01 volume  0.24000E+00 ppm1      8.080 ppm2      1.620
 OR { 6088}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "33  " and name "HG1 ")
 OR { 6088}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB1 ")
 OR { 6088}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB2 ")
 OR { 6088}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "28  " and name "HB3 ")
 OR { 6088}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "29  " and name "HD2 ")
 OR { 6088}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "29  " and name "HG2 ")
 ASSI { 6089}
     (segid "    " and resid "32  " and name "HN  ")
     (segid "    " and resid "30  " and name "HA  ")
      6.000     6.000     0.000 peak  6089 weight  0.10000E+01 volume  0.30000E-02 ppm1      8.077 ppm2      3.439
 ASSI { 6102}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG22")
      6.000     6.000     0.000 peak  6102 weight  0.10000E+01 volume  0.14800E+00 ppm1      7.341 ppm2      0.665
 OR { 6102}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG21")
 OR { 6102}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG23")
 OR { 6102}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG12")
 ASSI { 6101}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD21")
      6.000     6.000     0.000 peak  6101 weight  0.10000E+01 volume  0.21700E+00 ppm1      7.346 ppm2      0.786
 OR { 6101}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 6101}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 6101}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 6101}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 6101}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 6101}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 6101}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 6101}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 6101}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 6101}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 6101}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 6101}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD11")
 OR { 6101}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD12")
 OR { 6101}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD23")
 ASSI { 6099}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "30  " and name "HA  ")
      5.000     5.000     0.000 peak  6099 weight  0.10000E+01 volume  0.44400E+00 ppm1      7.348 ppm2      3.439
 ASSI { 6094}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "33  " and name "HD2 ")
      3.300     3.300     0.000 peak  6094 weight  0.10000E+01 volume  0.20950E+01 ppm1      7.348 ppm2      1.629
 OR { 6094}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "33  " and name "HG2 ")
 OR { 6094}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "33  " and name "HG1 ")
 ASSI { 6103}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "34  " and name "HB1 ")
      6.000     6.000     0.000 peak  6103 weight  0.10000E+01 volume  0.27500E+00 ppm1      7.343 ppm2      2.112
 OR { 6103}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "34  " and name "HG2 ")
 OR { 6103}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "29  " and name "HB2 ")
 ASSI { 6092}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "34  " and name "HN  ")
      3.300     3.300     0.000 peak  6092 weight  0.10000E+01 volume  0.21810E+01 ppm1      7.348 ppm2      8.666
 ASSI { 6093}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "33  " and name "HA  ")
      3.300     3.300     0.000 peak  6093 weight  0.10000E+01 volume  0.15790E+01 ppm1      7.348 ppm2      4.334
 OR { 6093}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "32  " and name "HA  ")
 ASSI { 6100}
     (segid "    " and resid "33  " and name "HN  ")
     (segid "    " and resid "35  " and name "HN  ")
      6.000     6.000     0.000 peak  6100 weight  0.10000E+01 volume  0.18200E+00 ppm1      7.349 ppm2      8.494
 ASSI { 6114}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG22")
      6.000     6.000     0.000 peak  6114 weight  0.10000E+01 volume  0.25400E+00 ppm1      8.670 ppm2      0.649
 OR { 6114}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG21")
 OR { 6114}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG23")
 OR { 6114}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG12")
 ASSI { 6113}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD22")
      5.000     5.000     0.000 peak  6113 weight  0.10000E+01 volume  0.34500E+00 ppm1      8.673 ppm2      0.798
 OR { 6113}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 6113}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 6113}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 6113}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 6113}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 6113}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 6113}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 6113}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 6113}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 6113}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD11")
 ASSI { 6116}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "31  " and name "HA  ")
      6.000     6.000     0.000 peak  6116 weight  0.10000E+01 volume  0.21000E+00 ppm1      8.671 ppm2      3.775
 ASSI { 6104}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "35  " and name "HN  ")
      3.300     3.300     0.000 peak  6104 weight  0.10000E+01 volume  0.22630E+01 ppm1      8.672 ppm2      8.494
 ASSI { 6111}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "34  " and name "HA  ")
      5.000     5.000     0.000 peak  6111 weight  0.10000E+01 volume  0.62100E+00 ppm1      8.668 ppm2      4.621
 ASSI { 6117}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "36  " and name "HN  ")
      6.000     6.000     0.000 peak  6117 weight  0.10000E+01 volume  0.10900E+00 ppm1      8.670 ppm2      6.183
 ASSI { 6115}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "30  " and name "HA  ")
      6.000     6.000     0.000 peak  6115 weight  0.10000E+01 volume  0.25300E+00 ppm1      8.671 ppm2      3.437
 ASSI { 6121}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "32  " and name "HB1 ")
      6.000     6.000     0.000 peak  6121 weight  0.10000E+01 volume  0.95000E-01 ppm1      8.672 ppm2      2.882
 OR { 6121}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "11  " and name "HE1 ")
 OR { 6121}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "11  " and name "HE2 ")
 ASSI { 6126}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG11")
      6.000     6.000     0.000 peak  6126 weight  0.10000E+01 volume  0.94000E-01 ppm1      8.670 ppm2      1.416
 OR { 6126}
     (segid "    " and resid "34  " and name "HN  ")
     (segid "    " and resid "36  " and name "HB  ")
 ASSI { 6134}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG11")
      6.000     6.000     0.000 peak  6134 weight  0.10000E+01 volume  0.58000E-01 ppm1      8.492 ppm2      1.410
 OR { 6134}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "36  " and name "HB  ")
 ASSI { 6136}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG23")
      6.000     6.000     0.000 peak  6136 weight  0.10000E+01 volume  0.44000E-01 ppm1      8.495 ppm2      0.652
 OR { 6136}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG22")
 OR { 6136}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG21")
 ASSI { 6132}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "31  " and name "HG2 ")
      6.000     6.000     0.000 peak  6132 weight  0.10000E+01 volume  0.23700E+00 ppm1      8.494 ppm2      1.901
 OR { 6132}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "31  " and name "HB2 ")
 ASSI { 6133}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "33  " and name "HA  ")
      6.000     6.000     0.000 peak  6133 weight  0.10000E+01 volume  0.15000E+00 ppm1      8.493 ppm2      4.316
 OR { 6133}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "32  " and name "HA  ")
 ASSI { 6128}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "34  " and name "HA  ")
      6.000     6.000     0.000 peak  6128 weight  0.10000E+01 volume  0.25500E+00 ppm1      8.493 ppm2      4.619
 ASSI { 6125}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "36  " and name "HN  ")
      5.000     5.000     0.000 peak  6125 weight  0.10000E+01 volume  0.12980E+01 ppm1      8.494 ppm2      6.186
 ASSI { 6137}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "36  " and name "HD13")
      6.000     6.000     0.000 peak  6137 weight  0.10000E+01 volume -0.10000E-02 ppm1      8.494 ppm2      0.796
 OR { 6137}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 6137}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 6137}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD23")
 OR { 6137}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD22")
 OR { 6137}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD11")
 OR { 6137}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD21")
 OR { 6137}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD12")
 OR { 6137}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "13  " and name "HD13")
 OR { 6137}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 6137}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 6137}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 6137}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD23")
 ASSI { 6130}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "34  " and name "HB1 ")
      5.000     5.000     0.000 peak  6130 weight  0.10000E+01 volume  0.30400E+00 ppm1      8.493 ppm2      2.121
 OR { 6130}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "34  " and name "HG2 ")
 ASSI { 6131}
     (segid "    " and resid "35  " and name "HN  ")
     (segid "    " and resid "34  " and name "HB2 ")
      5.000     5.000     0.000 peak  6131 weight  0.10000E+01 volume  0.31700E+00 ppm1      8.492 ppm2      1.714
 ASSI { 6152}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "34  " and name "HN  ")
      6.000     6.000     0.000 peak  6152 weight  0.10000E+01 volume  0.15900E+00 ppm1      6.182 ppm2      8.664
 OR { 6152}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "31  " and name "HN  ")
 ASSI { 6150}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "34  " and name "HB1 ")
      5.000     5.000     0.000 peak  6150 weight  0.10000E+01 volume  0.33800E+00 ppm1      6.183 ppm2      2.126
 OR { 6150}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "34  " and name "HG1 ")
 OR { 6150}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "34  " and name "HG2 ")
 ASSI { 6145}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "36  " and name "HD13")
      5.000     5.000     0.000 peak  6145 weight  0.10000E+01 volume  0.39200E+00 ppm1      6.193 ppm2      0.802
 OR { 6145}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 6145}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 6145}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD21")
 OR { 6145}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 6145}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD23")
 OR { 6145}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD11")
 ASSI { 6138}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG11")
      3.300     3.300     0.000 peak  6138 weight  0.10000E+01 volume  0.28440E+01 ppm1      6.192 ppm2      1.418
 OR { 6138}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "36  " and name "HB  ")
 ASSI { 6149}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "31  " and name "HG2 ")
      6.000     6.000     0.000 peak  6149 weight  0.10000E+01 volume  0.28700E+00 ppm1      6.182 ppm2      1.919
 OR { 6149}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "31  " and name "HB2 ")
 ASSI { 6147}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "34  " and name "HB2 ")
      5.000     5.000     0.000 peak  6147 weight  0.10000E+01 volume  0.34800E+00 ppm1      6.183 ppm2      1.717
 ASSI { 6153}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "34  " and name "HG1 ")
      6.000     6.000     0.000 peak  6153 weight  0.10000E+01 volume  0.17100E+00 ppm1      6.190 ppm2      2.214
 OR { 6153}
     (segid "    " and resid "36  " and name "HN  ")
     (segid "    " and resid "30  " and name "HB  ")
 ASSI { 6160}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "38  " and name "HG1 ")
      5.000     5.000     0.000 peak  6160 weight  0.10000E+01 volume  0.49000E+00 ppm1      8.528 ppm2      2.224
 OR { 6160}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "38  " and name "HB1 ")
 ASSI { 6161}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "37  " and name "HB1 ")
      5.000     5.000     0.000 peak  6161 weight  0.10000E+01 volume  0.40900E+00 ppm1      8.528 ppm2      2.403
 OR { 6161}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG1 ")
 OR { 6161}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG2 ")
 ASSI { 6163}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "41  " and name "HN  ")
      6.000     6.000     0.000 peak  6163 weight  0.10000E+01 volume  0.17500E+00 ppm1      8.527 ppm2      7.364
 ASSI { 6155}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "39  " and name "HA  ")
      5.000     5.000     0.000 peak  6155 weight  0.10000E+01 volume  0.14080E+01 ppm1      8.528 ppm2      4.417
 ASSI { 6141}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "40  " and name "HN  ")
      3.300     3.300     0.000 peak  6141 weight  0.10000E+01 volume  0.15160E+01 ppm1      8.528 ppm2      7.907
 ASSI { 6164}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "38  " and name "HG2 ")
      6.000     6.000     0.000 peak  6164 weight  0.10000E+01 volume  0.17500E+00 ppm1      8.528 ppm2      1.644
 OR { 6164}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "27  " and name "HD1 ")
 OR { 6164}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG2 ")
 OR { 6164}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "27  " and name "HD2 ")
 ASSI { 6166}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "37  " and name "HA  ")
      6.000     6.000     0.000 peak  6166 weight  0.10000E+01 volume  0.40000E-01 ppm1      8.532 ppm2      4.613
 ASSI { 6165}
     (segid "    " and resid "39  " and name "HN  ")
     (segid "    " and resid "40  " and name "HB2 ")
      6.000     6.000     0.000 peak  6165 weight  0.10000E+01 volume  0.88000E-01 ppm1      8.529 ppm2      1.783
 ASSI { 6178}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG2 ")
      6.000     6.000     0.000 peak  6178 weight  0.10000E+01 volume  0.23600E+00 ppm1      7.908 ppm2      1.652
 OR { 6178}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "27  " and name "HD1 ")
 OR { 6178}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "38  " and name "HG2 ")
 OR { 6178}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "27  " and name "HD2 ")
 ASSI { 6181}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "41  " and name "HA  ")
      6.000     6.000     0.000 peak  6181 weight  0.10000E+01 volume  0.16300E+00 ppm1      7.905 ppm2      4.167
 OR { 6181}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "37  " and name "HD1 ")
 ASSI { 6174}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG23")
      5.000     5.000     0.000 peak  6174 weight  0.10000E+01 volume  0.34800E+00 ppm1      7.906 ppm2      0.924
 OR { 6174}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 6174}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 6174}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD13")
 OR { 6174}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD12")
 OR { 6174}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD11")
 ASSI { 6172}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG1 ")
      5.000     5.000     0.000 peak  6172 weight  0.10000E+01 volume  0.13970E+01 ppm1      7.906 ppm2      2.478
 OR { 6172}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "40  " and name "HB1 ")
 ASSI { 6173}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "37  " and name "HB2 ")
      5.000     5.000     0.000 peak  6173 weight  0.10000E+01 volume  0.65600E+00 ppm1      7.906 ppm2      1.935
 OR { 6173}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "41  " and name "HB1 ")
 ASSI { 6171}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG1 ")
      3.300     3.300     0.000 peak  6171 weight  0.10000E+01 volume  0.19120E+01 ppm1      7.905 ppm2      2.380
 OR { 6171}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "37  " and name "HB1 ")
 OR { 6171}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG2 ")
 ASSI { 6175}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "37  " and name "HG2 ")
      5.000     5.000     0.000 peak  6175 weight  0.10000E+01 volume  0.31000E+00 ppm1      7.905 ppm2      2.048
 OR { 6175}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "37  " and name "HG1 ")
 OR { 6175}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "38  " and name "HB2 ")
 ASSI { 6167}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "41  " and name "HN  ")
      3.300     3.300     0.000 peak  6167 weight  0.10000E+01 volume  0.27520E+01 ppm1      7.905 ppm2      7.366
 ASSI { 6182}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD11")
      6.000     6.000     0.000 peak  6182 weight  0.10000E+01 volume  0.14400E+00 ppm1      7.904 ppm2      0.832
 OR { 6182}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 6182}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 6182}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 6182}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 6182}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 6182}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 6182}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 6182}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 6182}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 6182}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 6182}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD11")
 OR { 6182}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 6182}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 6182}
     (segid "    " and resid "40  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD11")
 ASSI { 6188}
     (segid "    " and resid "40  " and name "HE21")
     (segid "    " and resid "37  " and name "HD2 ")
      6.000     6.000     0.000 peak  6188 weight  0.10000E+01 volume  0.57000E-01 ppm1      7.678 ppm2      3.541
 ASSI { 6184}
     (segid "    " and resid "40  " and name "HE21")
     (segid "    " and resid "40  " and name "HE22")
      2.700     2.700     0.000 peak  6184 weight  0.10000E+01 volume  0.14815E+02 ppm1      7.675 ppm2      6.763
 ASSI { 6186}
     (segid "    " and resid "40  " and name "HE21")
     (segid "    " and resid "37  " and name "HG2 ")
      6.000     6.000     0.000 peak  6186 weight  0.10000E+01 volume  0.19700E+00 ppm1      7.672 ppm2      2.060
 OR { 6186}
     (segid "    " and resid "40  " and name "HE21")
     (segid "    " and resid "37  " and name "HG1 ")
 ASSI { 6193}
     (segid "    " and resid "40  " and name "HE22")
     (segid "    " and resid "37  " and name "HG1 ")
      6.000     6.000     0.000 peak  6193 weight  0.10000E+01 volume  0.14300E+00 ppm1      6.766 ppm2      2.060
 OR { 6193}
     (segid "    " and resid "40  " and name "HE22")
     (segid "    " and resid "37  " and name "HG2 ")
 ASSI { 6205}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "27  " and name "HE1 ")
      6.000     6.000     0.000 peak  6205 weight  0.10000E+01 volume  0.14700E+00 ppm1      7.366 ppm2      2.734
 OR { 6205}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "39  " and name "HB1 ")
 ASSI { 6207}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HE22")
      6.000     6.000     0.000 peak  6207 weight  0.10000E+01 volume  0.15100E+00 ppm1      7.367 ppm2      6.426
 ASSI { 6203}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD13")
      6.000     6.000     0.000 peak  6203 weight  0.10000E+01 volume  0.29500E+00 ppm1      7.365 ppm2      0.821
 OR { 6203}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 6203}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 6203}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 6203}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 6203}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 6203}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD12")
 OR { 6203}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 6203}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 6203}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD13")
 OR { 6203}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 6203}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "36  " and name "HD13")
 OR { 6203}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "36  " and name "HD12")
 OR { 6203}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "30  " and name "HD11")
 ASSI { 6206}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "27  " and name "HG2 ")
      6.000     6.000     0.000 peak  6206 weight  0.10000E+01 volume  0.24200E+00 ppm1      7.370 ppm2      1.467
 OR { 6206}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "42  " and name "HG1 ")
 OR { 6206}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "27  " and name "HG1 ")
 OR { 6206}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "27  " and name "HB1 ")
 OR { 6206}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "36  " and name "HB  ")
 OR { 6206}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "43  " and name "HG  ")
 ASSI { 6204}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "39  " and name "HN  ")
      6.000     6.000     0.000 peak  6204 weight  0.10000E+01 volume  0.26100E+00 ppm1      7.366 ppm2      8.518
 OR { 6204}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "42  " and name "HN  ")
 OR { 6204}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "72  " and name "HN  ")
 ASSI { 6199}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG2 ")
      5.000     5.000     0.000 peak  6199 weight  0.10000E+01 volume  0.80600E+00 ppm1      7.367 ppm2      1.643
 OR { 6199}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "27  " and name "HD1 ")
 OR { 6199}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "27  " and name "HD2 ")
 ASSI { 6201}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG23")
      5.000     5.000     0.000 peak  6201 weight  0.10000E+01 volume  0.34000E+00 ppm1      7.366 ppm2      0.923
 OR { 6201}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 6201}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG21")
 OR { 6201}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD13")
 OR { 6201}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD11")
 OR { 6201}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD12")
 OR { 6201}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD22")
 ASSI { 6202}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG1 ")
      6.000     6.000     0.000 peak  6202 weight  0.10000E+01 volume  0.24200E+00 ppm1      7.367 ppm2      2.383
 OR { 6202}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "40  " and name "HG2 ")
 OR { 6202}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "37  " and name "HB1 ")
 ASSI { 6197}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG1 ")
      3.300     3.300     0.000 peak  6197 weight  0.10000E+01 volume  0.15300E+01 ppm1      7.366 ppm2      2.504
 OR { 6197}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "40  " and name "HB1 ")
 ASSI { 6208}
     (segid "    " and resid "41  " and name "HN  ")
     (segid "    " and resid "41  " and name "HE21")
      6.000     6.000     0.000 peak  6208 weight  0.10000E+01 volume  0.69000E-01 ppm1      7.365 ppm2      6.685
 ASSI { 6221}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "38  " and name "HD1 ")
      6.000     6.000     0.000 peak  6221 weight  0.10000E+01 volume  0.94000E-01 ppm1      6.691 ppm2      3.754
 OR { 6221}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "31  " and name "HA  ")
 OR { 6221}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 6222}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "30  " and name "HN  ")
      6.000     6.000     0.000 peak  6222 weight  0.10000E+01 volume  0.98000E-01 ppm1      6.691 ppm2      8.100
 OR { 6222}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "28  " and name "HN  ")
 OR { 6222}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "32  " and name "HN  ")
 ASSI { 6214}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "41  " and name "HG2 ")
      5.000     5.000     0.000 peak  6214 weight  0.10000E+01 volume  0.43300E+00 ppm1      6.690 ppm2      1.638
 OR { 6214}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "27  " and name "HD1 ")
 ASSI { 6217}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "31  " and name "HB2 ")
      5.000     5.000     0.000 peak  6217 weight  0.10000E+01 volume  0.30300E+00 ppm1      6.690 ppm2      1.910
 OR { 6217}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "41  " and name "HB1 ")
 OR { 6217}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "41  " and name "HB2 ")
 ASSI { 6210}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "30  " and name "HB  ")
      5.000     5.000     0.000 peak  6210 weight  0.10000E+01 volume  0.73800E+00 ppm1      6.691 ppm2      2.202
 OR { 6210}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "38  " and name "HG1 ")
 ASSI { 6219}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "30  " and name "HD12")
      6.000     6.000     0.000 peak  6219 weight  0.10000E+01 volume  0.15900E+00 ppm1      6.691 ppm2      0.804
 OR { 6219}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "30  " and name "HD11")
 OR { 6219}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "30  " and name "HD13")
 OR { 6219}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "36  " and name "HD12")
 OR { 6219}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "69  " and name "HD21")
 OR { 6219}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "36  " and name "HD13")
 OR { 6219}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "69  " and name "HD11")
 OR { 6219}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "69  " and name "HD23")
 OR { 6219}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "69  " and name "HD12")
 OR { 6219}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "69  " and name "HD13")
 OR { 6219}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "69  " and name "HD22")
 OR { 6219}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "36  " and name "HD11")
 OR { 6219}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "43  " and name "HD23")
 OR { 6219}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "43  " and name "HD13")
 OR { 6219}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "43  " and name "HD21")
 ASSI { 6209}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "41  " and name "HE22")
      2.700     2.700     0.000 peak  6209 weight  0.10000E+01 volume  0.44300E+01 ppm1      6.691 ppm2      6.423
 ASSI { 6213}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "36  " and name "HB  ")
      5.000     5.000     0.000 peak  6213 weight  0.10000E+01 volume  0.50900E+00 ppm1      6.690 ppm2      1.452
 OR { 6213}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "27  " and name "HB1 ")
 ASSI { 6218}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "37  " and name "HA  ")
      6.000     6.000     0.000 peak  6218 weight  0.10000E+01 volume  0.22500E+00 ppm1      6.691 ppm2      4.623
 OR { 6218}
     (segid "    " and resid "41  " and name "HE21")
     (segid "    " and resid "27  " and name "HA  ")
 ASSI { 6224}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "27  " and name "HD2 ")
      5.000     5.000     0.000 peak  6224 weight  0.10000E+01 volume  0.51100E+00 ppm1      6.430 ppm2      1.640
 OR { 6224}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "38  " and name "HG2 ")
 OR { 6224}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "27  " and name "HD1 ")
 OR { 6224}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "41  " and name "HG2 ")
 ASSI { 6230}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "31  " and name "HB2 ")
      5.000     5.000     0.000 peak  6230 weight  0.10000E+01 volume  0.33700E+00 ppm1      6.432 ppm2      1.902
 OR { 6230}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "41  " and name "HB1 ")
 OR { 6230}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "41  " and name "HB2 ")
 ASSI { 6236}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "30  " and name "HD13")
      6.000     6.000     0.000 peak  6236 weight  0.10000E+01 volume  0.14900E+00 ppm1      6.431 ppm2      0.807
 OR { 6236}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "30  " and name "HD11")
 OR { 6236}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "30  " and name "HD12")
 OR { 6236}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "43  " and name "HD23")
 OR { 6236}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "69  " and name "HD12")
 OR { 6236}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "43  " and name "HD13")
 OR { 6236}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "43  " and name "HD12")
 OR { 6236}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "36  " and name "HD13")
 OR { 6236}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "36  " and name "HD12")
 OR { 6236}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "43  " and name "HD21")
 OR { 6236}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "36  " and name "HD11")
 OR { 6236}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "43  " and name "HD11")
 ASSI { 6226}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "27  " and name "HB1 ")
      5.000     5.000     0.000 peak  6226 weight  0.10000E+01 volume  0.48800E+00 ppm1      6.431 ppm2      1.442
 ASSI { 6228}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "30  " and name "HG22")
      6.000     6.000     0.000 peak  6228 weight  0.10000E+01 volume  0.24900E+00 ppm1      6.431 ppm2      0.649
 OR { 6228}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "30  " and name "HG23")
 OR { 6228}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "30  " and name "HG21")
 OR { 6228}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "30  " and name "HG12")
 ASSI { 6238}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "38  " and name "HD1 ")
      6.000     6.000     0.000 peak  6238 weight  0.10000E+01 volume  0.70000E-01 ppm1      6.431 ppm2      3.751
 OR { 6238}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "31  " and name "HA  ")
 OR { 6238}
     (segid "    " and resid "41  " and name "HE22")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 6250}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "41  " and name "HN  ")
      6.000     6.000     0.000 peak  6250 weight  0.10000E+01 volume  0.14500E+00 ppm1      8.469 ppm2      7.366
 ASSI { 6253}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "41  " and name "HG1 ")
      6.000     6.000     0.000 peak  6253 weight  0.10000E+01 volume  0.19000E-01 ppm1      8.470 ppm2      2.517
 OR { 6253}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "40  " and name "HB1 ")
 ASSI { 6252}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "70  " and name "HB  ")
      6.000     6.000     0.000 peak  6252 weight  0.10000E+01 volume  0.75000E-01 ppm1      8.469 ppm2      2.100
 ASSI { 6245}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "41  " and name "HB2 ")
      5.000     5.000     0.000 peak  6245 weight  0.10000E+01 volume  0.57000E+00 ppm1      8.469 ppm2      1.859
 ASSI { 6244}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "70  " and name "HN  ")
      5.000     5.000     0.000 peak  6244 weight  0.10000E+01 volume  0.39200E+00 ppm1      8.469 ppm2      9.233
 ASSI { 6240}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD13")
      5.000     5.000     0.000 peak  6240 weight  0.10000E+01 volume  0.14810E+01 ppm1      8.469 ppm2      0.829
 OR { 6240}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 6240}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD11")
 OR { 6240}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 6240}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 6240}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD22")
 ASSI { 6243}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HA  ")
      5.000     5.000     0.000 peak  6243 weight  0.10000E+01 volume  0.90300E+00 ppm1      8.469 ppm2      4.457
 ASSI { 6242}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HB2 ")
      5.000     5.000     0.000 peak  6242 weight  0.10000E+01 volume  0.12280E+01 ppm1      8.468 ppm2      1.520
 OR { 6242}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "43  " and name "HG  ")
 ASSI { 6251}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "69  " and name "HA  ")
      6.000     6.000     0.000 peak  6251 weight  0.10000E+01 volume  0.54000E-01 ppm1      8.467 ppm2      5.065
 ASSI { 6249}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HD1 ")
      6.000     6.000     0.000 peak  6249 weight  0.10000E+01 volume  0.16100E+00 ppm1      8.470 ppm2      3.074
 OR { 6249}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "42  " and name "HD2 ")
 ASSI { 6248}
     (segid "    " and resid "42  " and name "HN  ")
     (segid "    " and resid "43  " and name "HN  ")
      6.000     6.000     0.000 peak  6248 weight  0.10000E+01 volume  0.14400E+00 ppm1      8.471 ppm2      8.972
 ASSI { 6267}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "41  " and name "HB1 ")
      6.000     6.000     0.000 peak  6267 weight  0.10000E+01 volume  0.24000E-01 ppm1      8.970 ppm2      1.933
 OR { 6267}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "49  " and name "HB1 ")
 OR { 6267}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "49  " and name "HB2 ")
 ASSI { 6266}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "27  " and name "HE1 ")
      6.000     6.000     0.000 peak  6266 weight  0.10000E+01 volume  0.41000E-01 ppm1      8.970 ppm2      2.742
 ASSI { 6257}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD21")
      5.000     5.000     0.000 peak  6257 weight  0.10000E+01 volume  0.83500E+00 ppm1      8.969 ppm2      0.802
 OR { 6257}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 6257}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD22")
 OR { 6257}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 6257}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 6257}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD11")
 OR { 6257}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 6257}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 6257}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 6257}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG21")
 ASSI { 6256}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HG  ")
      3.300     3.300     0.000 peak  6256 weight  0.10000E+01 volume  0.18690E+01 ppm1      8.969 ppm2      1.480
 ASSI { 6259}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB1 ")
      5.000     5.000     0.000 peak  6259 weight  0.10000E+01 volume  0.94200E+00 ppm1      8.970 ppm2      1.023
 OR { 6259}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "50  " and name "HG  ")
 ASSI { 6262}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "50  " and name "HN  ")
      6.000     6.000     0.000 peak  6262 weight  0.10000E+01 volume  0.11600E+00 ppm1      8.969 ppm2      8.620
 ASSI { 6265}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "42  " and name "HD1 ")
      6.000     6.000     0.000 peak  6265 weight  0.10000E+01 volume  0.79000E-01 ppm1      8.969 ppm2      3.069
 OR { 6265}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 6265}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "68  " and name "HB2 ")
 ASSI { 6264}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "49  " and name "HA  ")
      6.000     6.000     0.000 peak  6264 weight  0.10000E+01 volume  0.59000E-01 ppm1      8.971 ppm2      4.783
 ASSI { 6268}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "50  " and name "HD12")
      6.000     6.000     0.000 peak  6268 weight  0.10000E+01 volume  0.92000E-01 ppm1      8.973 ppm2      0.469
 OR { 6268}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "50  " and name "HD13")
 OR { 6268}
     (segid "    " and resid "43  " and name "HN  ")
     (segid "    " and resid "50  " and name "HD11")
 ASSI { 2489}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB2 ")
      5.000     5.000     0.000 peak  2489 weight  0.10000E+01 volume  0.31300E+00 ppm1      9.143 ppm2      1.694
 OR { 2489}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "69  " and name "HB1 ")
 OR { 2489}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "67  " and name "HB  ")
 ASSI { 6270}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG22")
      3.300     3.300     0.000 peak  6270 weight  0.10000E+01 volume  0.17450E+01 ppm1      9.144 ppm2      0.822
 OR { 6270}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 6270}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 6270}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 6270}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD22")
 ASSI { 6275}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG11")
      5.000     5.000     0.000 peak  6275 weight  0.10000E+01 volume  0.53400E+00 ppm1      9.145 ppm2      1.363
 ASSI { 6277}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "69  " and name "HA  ")
      5.000     5.000     0.000 peak  6277 weight  0.10000E+01 volume  0.56700E+00 ppm1      9.144 ppm2      5.082
 ASSI { 6274}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "68  " and name "HN  ")
      5.000     5.000     0.000 peak  6274 weight  0.10000E+01 volume  0.72500E+00 ppm1      9.145 ppm2      9.345
 ASSI { 6279}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG11")
      6.000     6.000     0.000 peak  6279 weight  0.10000E+01 volume  0.14500E+00 ppm1      9.144 ppm2      1.487
 OR { 6279}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "43  " and name "HG  ")
 OR { 6279}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "42  " and name "HG1 ")
 OR { 6279}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "50  " and name "HB2 ")
 ASSI { 6276}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "44  " and name "HA  ")
      5.000     5.000     0.000 peak  6276 weight  0.10000E+01 volume  0.44900E+00 ppm1      9.143 ppm2      4.862
 ASSI { 6273}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD11")
      5.000     5.000     0.000 peak  6273 weight  0.10000E+01 volume  0.79500E+00 ppm1      9.144 ppm2      0.668
 OR { 6273}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 6273}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 6273}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 6273}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 6273}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 6273}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "67  " and name "HD12")
 ASSI { 6272}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG12")
      5.000     5.000     0.000 peak  6272 weight  0.10000E+01 volume  0.11350E+01 ppm1      9.144 ppm2      1.062
 OR { 6272}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB1 ")
 OR { 6272}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "50  " and name "HG  ")
 ASSI { 6280}
     (segid "    " and resid "44  " and name "HN  ")
     (segid "    " and resid "67  " and name "HA  ")
      6.000     6.000     0.000 peak  6280 weight  0.10000E+01 volume  0.11000E+00 ppm1      9.143 ppm2      4.625
 ASSI { 6293}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG11")
      6.000     6.000     0.000 peak  6293 weight  0.10000E+01 volume  0.14200E+00 ppm1      9.141 ppm2      1.376
 ASSI { 6284}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "48  " and name "HN  ")
      5.000     5.000     0.000 peak  6284 weight  0.10000E+01 volume  0.56600E+00 ppm1      9.139 ppm2      8.073
 OR { 6284}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "47  " and name "HN  ")
 ASSI { 6292}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG21")
      6.000     6.000     0.000 peak  6292 weight  0.10000E+01 volume  0.11500E+00 ppm1      9.142 ppm2      0.809
 OR { 6292}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 6292}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 6292}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "46  " and name "HB3 ")
 OR { 6292}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "46  " and name "HB1 ")
 OR { 6292}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "46  " and name "HB2 ")
 OR { 6292}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD12")
 ASSI { 6288}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "50  " and name "HG  ")
      6.000     6.000     0.000 peak  6288 weight  0.10000E+01 volume  0.23400E+00 ppm1      9.142 ppm2      1.042
 OR { 6288}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB1 ")
 OR { 6288}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG12")
 ASSI { 2979}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "50  " and name "HN  ")
      6.000     6.000     0.000 peak  2979 weight  0.10000E+01 volume  0.12500E+00 ppm1      9.142 ppm2      8.605
 OR { 2979}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "49  " and name "HN  ")
 ASSI { 6291}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "45  " and name "HD1 ")
      6.000     6.000     0.000 peak  6291 weight  0.10000E+01 volume  0.95000E-01 ppm1      9.143 ppm2      7.393
 OR { 6291}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "45  " and name "HD2 ")
 ASSI { 6287}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "50  " and name "HD12")
      6.000     6.000     0.000 peak  6287 weight  0.10000E+01 volume  0.17900E+00 ppm1      9.143 ppm2      0.465
 OR { 6287}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "50  " and name "HD13")
 OR { 6287}
     (segid "    " and resid "45  " and name "HN  ")
     (segid "    " and resid "50  " and name "HD11")
 ASSI { 6301}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "45  " and name "HB2 ")
      6.000     6.000     0.000 peak  6301 weight  0.10000E+01 volume  0.58000E-01 ppm1      9.030 ppm2      2.750
 ASSI { 6298}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "47  " and name "HN  ")
      5.000     5.000     0.000 peak  6298 weight  0.10000E+01 volume  0.56200E+00 ppm1      9.023 ppm2      8.076
 OR { 6298}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "48  " and name "HN  ")
 ASSI { 6300}
     (segid "    " and resid "46  " and name "HN  ")
     (segid "    " and resid "45  " and name "HB1 ")
      6.000     6.000     0.000 peak  6300 weight  0.10000E+01 volume  0.11800E+00 ppm1      9.024 ppm2      2.926
 ASSI { 6309}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "45  " and name "HA  ")
      6.000     6.000     0.000 peak  6309 weight  0.10000E+01 volume  0.16700E+00 ppm1      8.072 ppm2      5.181
 ASSI { 6312}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "45  " and name "HN  ")
      6.000     6.000     0.000 peak  6312 weight  0.10000E+01 volume  0.70000E-01 ppm1      8.074 ppm2      9.153
 OR { 6312}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "44  " and name "HN  ")
 ASSI { 6308}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "46  " and name "HN  ")
      5.000     5.000     0.000 peak  6308 weight  0.10000E+01 volume  0.73000E+00 ppm1      8.074 ppm2      9.024
 ASSI { 6305}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "47  " and name "HA1 ")
      3.300     3.300     0.000 peak  6305 weight  0.10000E+01 volume  0.17270E+01 ppm1      8.074 ppm2      4.099
 ASSI { 6307}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG23")
      3.300     3.300     0.000 peak  6307 weight  0.10000E+01 volume  0.17620E+01 ppm1      8.074 ppm2      0.680
 OR { 6307}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 6307}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG22")
 ASSI { 6303}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "47  " and name "HA2 ")
      3.300     3.300     0.000 peak  6303 weight  0.10000E+01 volume  0.29600E+01 ppm1      8.075 ppm2      3.453
 ASSI { 6315}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "48  " and name "HB2 ")
      6.000     6.000     0.000 peak  6315 weight  0.10000E+01 volume -0.48000E-01 ppm1      8.076 ppm2      1.957
 OR { 6315}
     (segid "    " and resid "47  " and name "HN  ")
     (segid "    " and resid "48  " and name "HB1 ")
 ASSI { 6328}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG12")
      6.000     6.000     0.000 peak  6328 weight  0.10000E+01 volume  0.88000E-01 ppm1      8.063 ppm2      1.067
 OR { 6328}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "50  " and name "HG  ")
 OR { 6328}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB1 ")
 OR { 6328}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "50  " and name "HB1 ")
 ASSI { 6327}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "45  " and name "HA  ")
      6.000     6.000     0.000 peak  6327 weight  0.10000E+01 volume  0.50000E-02 ppm1      8.062 ppm2      5.203
 ASSI { 6325}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "46  " and name "HA  ")
      6.000     6.000     0.000 peak  6325 weight  0.10000E+01 volume  0.10000E+00 ppm1      8.055 ppm2      3.696
 ASSI { 6320}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "48  " and name "HA  ")
      5.000     5.000     0.000 peak  6320 weight  0.10000E+01 volume  0.84300E+00 ppm1      8.057 ppm2      4.639
 ASSI { 6319}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "45  " and name "HN  ")
      5.000     5.000     0.000 peak  6319 weight  0.10000E+01 volume  0.10790E+01 ppm1      8.063 ppm2      9.150
 ASSI { 6321}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "47  " and name "HA2 ")
      5.000     5.000     0.000 peak  6321 weight  0.10000E+01 volume  0.53400E+00 ppm1      8.061 ppm2      3.448
 ASSI { 6322}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "47  " and name "HA1 ")
      5.000     5.000     0.000 peak  6322 weight  0.10000E+01 volume  0.43600E+00 ppm1      8.061 ppm2      4.102
 ASSI { 6318}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG23")
      5.000     5.000     0.000 peak  6318 weight  0.10000E+01 volume  0.11240E+01 ppm1      8.062 ppm2      0.680
 OR { 6318}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 6318}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG22")
 ASSI { 6324}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "44  " and name "HA  ")
      6.000     6.000     0.000 peak  6324 weight  0.10000E+01 volume  0.15100E+00 ppm1      8.068 ppm2      4.852
 OR { 6324}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 6323}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "49  " and name "HN  ")
      6.000     6.000     0.000 peak  6323 weight  0.10000E+01 volume  0.10900E+00 ppm1      8.062 ppm2      8.627
 OR { 6323}
     (segid "    " and resid "48  " and name "HN  ")
     (segid "    " and resid "50  " and name "HN  ")
 ASSI { 6335}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG21")
      5.000     5.000     0.000 peak  6335 weight  0.10000E+01 volume  0.36900E+00 ppm1      8.635 ppm2      0.668
 OR { 6335}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD11")
 OR { 6335}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 6335}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 6335}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 6335}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD13")
 ASSI { 6333}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG1 ")
      5.000     5.000     0.000 peak  6333 weight  0.10000E+01 volume  0.89000E+00 ppm1      8.635 ppm2      2.235
 OR { 6333}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG2 ")
 ASSI { 6332}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "49  " and name "HA  ")
      5.000     5.000     0.000 peak  6332 weight  0.10000E+01 volume  0.87200E+00 ppm1      8.635 ppm2      4.805
 ASSI { 6336}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "48  " and name "HN  ")
      5.000     5.000     0.000 peak  6336 weight  0.10000E+01 volume  0.40600E+00 ppm1      8.631 ppm2      8.052
 OR { 6336}
     (segid "    " and resid "49  " and name "HN  ")
     (segid "    " and resid "47  " and name "HN  ")
 ASSI { 6337}
     (segid "    " and resid "49  " and name "HE21")
     (segid "    " and resid "49  " and name "HE22")
      2.700     2.700     0.000 peak  6337 weight  0.10000E+01 volume  0.14112E+02 ppm1      7.593 ppm2      6.885
 ASSI { 6361}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "48  " and name "HA  ")
      6.000     6.000     0.000 peak  6361 weight  0.10000E+01 volume  0.11500E+00 ppm1      8.613 ppm2      4.658
 OR { 6361}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "67  " and name "HA  ")
 ASSI { 6351}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG2 ")
      5.000     5.000     0.000 peak  6351 weight  0.10000E+01 volume  0.10910E+01 ppm1      8.603 ppm2      2.244
 OR { 6351}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG1 ")
 ASSI { 6356}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD12")
      6.000     6.000     0.000 peak  6356 weight  0.10000E+01 volume  0.27800E+00 ppm1      8.605 ppm2      0.668
 OR { 6356}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 6356}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD11")
 OR { 6356}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 6356}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 6356}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 6356}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD21")
 OR { 6356}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD22")
 OR { 6356}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "26  " and name "HD23")
 ASSI { 6353}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "49  " and name "HB1 ")
      5.000     5.000     0.000 peak  6353 weight  0.10000E+01 volume  0.61100E+00 ppm1      8.604 ppm2      1.953
 OR { 6353}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "49  " and name "HB2 ")
 OR { 6353}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "48  " and name "HB1 ")
 ASSI { 6348}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "49  " and name "HA  ")
      2.700     2.700     0.000 peak  6348 weight  0.10000E+01 volume  0.42950E+01 ppm1      8.605 ppm2      4.807
 ASSI { 6359}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "45  " and name "HN  ")
      6.000     6.000     0.000 peak  6359 weight  0.10000E+01 volume  0.16500E+00 ppm1      8.606 ppm2      9.146
 OR { 6359}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "44  " and name "HN  ")
 ASSI { 6360}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD11")
      6.000     6.000     0.000 peak  6360 weight  0.10000E+01 volume  0.15300E+00 ppm1      8.611 ppm2      0.798
 OR { 6360}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD12")
 OR { 6360}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD13")
 OR { 6360}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG21")
 OR { 6360}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 6360}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 6360}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD23")
 OR { 6360}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD21")
 OR { 6360}
     (segid "    " and resid "50  " and name "HN  ")
     (segid "    " and resid "43  " and name "HD22")
 ASSI { 6378}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "54  " and name "HD1 ")
      6.000     6.000     0.000 peak  6378 weight  0.10000E+01 volume  0.80000E-01 ppm1      8.204 ppm2      3.189
 OR { 6378}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "54  " and name "HD2 ")
 ASSI { 6368}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "51  " and name "HG2 ")
      5.000     5.000     0.000 peak  6368 weight  0.10000E+01 volume  0.86900E+00 ppm1      8.207 ppm2      2.287
 OR { 6368}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 6368}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB1 ")
 ASSI { 6367}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "51  " and name "HG1 ")
      5.000     5.000     0.000 peak  6367 weight  0.10000E+01 volume  0.88900E+00 ppm1      8.206 ppm2      2.416
 ASSI { 6374}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "50  " and name "HB2 ")
      6.000     6.000     0.000 peak  6374 weight  0.10000E+01 volume  0.27400E+00 ppm1      8.205 ppm2      1.450
 ASSI { 6364}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "51  " and name "HA  ")
      5.000     5.000     0.000 peak  6364 weight  0.10000E+01 volume  0.11490E+01 ppm1      8.205 ppm2      4.543
 ASSI { 6366}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "51  " and name "HB1 ")
      5.000     5.000     0.000 peak  6366 weight  0.10000E+01 volume  0.90500E+00 ppm1      8.206 ppm2      2.162
 OR { 6366}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "23  " and name "HB  ")
 ASSI { 6369}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG21")
      5.000     5.000     0.000 peak  6369 weight  0.10000E+01 volume  0.63800E+00 ppm1      8.207 ppm2      1.010
 OR { 6369}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 6369}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG22")
 ASSI { 6377}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "50  " and name "HN  ")
      6.000     6.000     0.000 peak  6377 weight  0.10000E+01 volume  0.71000E-01 ppm1      8.205 ppm2      8.611
 OR { 6377}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "49  " and name "HN  ")
 ASSI { 6376}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG13")
      6.000     6.000     0.000 peak  6376 weight  0.10000E+01 volume  0.22200E+00 ppm1      8.204 ppm2      0.717
 OR { 6376}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG11")
 OR { 6376}
     (segid "    " and resid "51  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG12")
 ASSI { 6388}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "50  " and name "HA  ")
      6.000     6.000     0.000 peak  6388 weight  0.10000E+01 volume  0.17000E-01 ppm1      8.172 ppm2      3.861
 OR { 6388}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "24  " and name "HA  ")
 ASSI { 6386}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "53  " and name "HN  ")
      6.000     6.000     0.000 peak  6386 weight  0.10000E+01 volume  0.16800E+00 ppm1      8.169 ppm2      9.979
 ASSI { 6384}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG12")
      5.000     5.000     0.000 peak  6384 weight  0.10000E+01 volume  0.30400E+00 ppm1      8.169 ppm2      0.723
 OR { 6384}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 6384}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG11")
 ASSI { 6385}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "51  " and name "HG2 ")
      6.000     6.000     0.000 peak  6385 weight  0.10000E+01 volume  0.28800E+00 ppm1      8.170 ppm2      2.279
 OR { 6385}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 6385}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "49  " and name "HG2 ")
 OR { 6385}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB1 ")
 ASSI { 6381}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "51  " and name "HB1 ")
      5.000     5.000     0.000 peak  6381 weight  0.10000E+01 volume  0.13030E+01 ppm1      8.170 ppm2      2.165
 OR { 6381}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "23  " and name "HB  ")
 ASSI { 6383}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "51  " and name "HB2 ")
      5.000     5.000     0.000 peak  6383 weight  0.10000E+01 volume  0.54200E+00 ppm1      8.170 ppm2      1.902
 OR { 6383}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "54  " and name "HG1 ")
 ASSI { 6372}
     (segid "    " and resid "52  " and name "HN  ")
     (segid "    " and resid "51  " and name "HA  ")
      2.700     2.700     0.000 peak  6372 weight  0.10000E+01 volume  0.61950E+01 ppm1      8.170 ppm2      4.541
 ASSI { 6400}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "52  " and name "HN  ")
      6.000     6.000     0.000 peak  6400 weight  0.10000E+01 volume  0.96000E-01 ppm1      9.978 ppm2      8.173
 OR { 6400}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "51  " and name "HN  ")
 ASSI { 6395}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "52  " and name "HB2 ")
      5.000     5.000     0.000 peak  6395 weight  0.10000E+01 volume  0.37200E+00 ppm1      9.981 ppm2      2.463
 OR { 6395}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "24  " and name "HG1 ")
 ASSI { 6390}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "52  " and name "HA  ")
      3.300     3.300     0.000 peak  6390 weight  0.10000E+01 volume  0.26740E+01 ppm1      9.982 ppm2      4.261
 OR { 6390}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "53  " and name "HA1 ")
 ASSI { 6392}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "54  " and name "HN  ")
      5.000     5.000     0.000 peak  6392 weight  0.10000E+01 volume  0.71000E+00 ppm1      9.985 ppm2      7.488
 ASSI { 6401}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "24  " and name "HG2 ")
      6.000     6.000     0.000 peak  6401 weight  0.10000E+01 volume  0.94000E-01 ppm1      9.978 ppm2      2.313
 OR { 6401}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 6401}
     (segid "    " and resid "53  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB1 ")
 ASSI { 6417}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG22")
      6.000     6.000     0.000 peak  6417 weight  0.10000E+01 volume  0.52000E-01 ppm1      7.488 ppm2      1.224
 OR { 6417}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG23")
 OR { 6417}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 6417}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG22")
 OR { 6417}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG21")
 OR { 6417}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG23")
 ASSI { 6408}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "53  " and name "HA1 ")
      5.000     5.000     0.000 peak  6408 weight  0.10000E+01 volume  0.84400E+00 ppm1      7.487 ppm2      4.244
 OR { 6408}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "52  " and name "HA  ")
 ASSI { 6413}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "59  " and name "HE2 ")
      6.000     6.000     0.000 peak  6413 weight  0.10000E+01 volume  0.11800E+00 ppm1      7.491 ppm2      6.834
 OR { 6413}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "59  " and name "HE1 ")
 ASSI { 6406}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "54  " and name "HG1 ")
      5.000     5.000     0.000 peak  6406 weight  0.10000E+01 volume  0.60800E+00 ppm1      7.486 ppm2      1.930
 OR { 6406}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "51  " and name "HB2 ")
 ASSI { 6410}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "23  " and name "HB  ")
      5.000     5.000     0.000 peak  6410 weight  0.10000E+01 volume  0.67600E+00 ppm1      7.488 ppm2      2.183
 OR { 6410}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "51  " and name "HB1 ")
 ASSI { 6414}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "55  " and name "HN  ")
      6.000     6.000     0.000 peak  6414 weight  0.10000E+01 volume  0.19900E+00 ppm1      7.486 ppm2      8.699
 OR { 6414}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "56  " and name "HN  ")
 ASSI { 6416}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "51  " and name "HN  ")
      6.000     6.000     0.000 peak  6416 weight  0.10000E+01 volume  0.14500E+00 ppm1      7.488 ppm2      8.198
 OR { 6416}
     (segid "    " and resid "54  " and name "HN  ")
     (segid "    " and resid "52  " and name "HN  ")
 ASSI { 6427}
     (segid "    " and resid "54  " and name "HE  ")
     (segid "    " and resid "58  " and name "HB1 ")
      6.000     6.000     0.000 peak  6427 weight  0.10000E+01 volume  0.78000E-01 ppm1      7.233 ppm2      2.303
 OR { 6427}
     (segid "    " and resid "54  " and name "HE  ")
     (segid "    " and resid "54  " and name "HB1 ")
 OR { 6427}
     (segid "    " and resid "54  " and name "HE  ")
     (segid "    " and resid "54  " and name "HB2 ")
 ASSI { 6442}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG23")
      6.000     6.000     0.000 peak  6442 weight  0.10000E+01 volume  0.36000E-01 ppm1      8.701 ppm2      1.004
 OR { 6442}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 6442}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG22")
 ASSI { 6439}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "59  " and name "HE2 ")
      6.000     6.000     0.000 peak  6439 weight  0.10000E+01 volume  0.10100E+00 ppm1      8.700 ppm2      6.838
 OR { 6439}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "59  " and name "HE1 ")
 OR { 6439}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "61  " and name "HN  ")
 ASSI { 6429}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB1 ")
      3.300     3.300     0.000 peak  6429 weight  0.10000E+01 volume  0.22000E+01 ppm1      8.703 ppm2      2.306
 OR { 6429}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HB2 ")
 OR { 6429}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "58  " and name "HB1 ")
 ASSI { 6432}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "55  " and name "HA  ")
      5.000     5.000     0.000 peak  6432 weight  0.10000E+01 volume  0.70100E+00 ppm1      8.704 ppm2      4.966
 ASSI { 6434}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "55  " and name "HB  ")
      5.000     5.000     0.000 peak  6434 weight  0.10000E+01 volume  0.35600E+00 ppm1      8.701 ppm2      4.594
 OR { 6434}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "22  " and name "HB  ")
 ASSI { 6430}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG21")
      5.000     5.000     0.000 peak  6430 weight  0.10000E+01 volume  0.13720E+01 ppm1      8.704 ppm2      1.195
 OR { 6430}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG22")
 OR { 6430}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG23")
 ASSI { 6440}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "58  " and name "HN  ")
      6.000     6.000     0.000 peak  6440 weight  0.10000E+01 volume  0.91000E-01 ppm1      8.701 ppm2      7.841
 ASSI { 6441}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HE  ")
      6.000     6.000     0.000 peak  6441 weight  0.10000E+01 volume  0.42000E-01 ppm1      8.700 ppm2      7.209
 OR { 6441}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 6441}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD2 ")
 ASSI { 6438}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "54  " and name "HN  ")
      6.000     6.000     0.000 peak  6438 weight  0.10000E+01 volume  0.14900E+00 ppm1      8.703 ppm2      7.490
 OR { 6438}
     (segid "    " and resid "55  " and name "HN  ")
     (segid "    " and resid "59  " and name "HN  ")
 ASSI { 6449}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB1 ")
      5.000     5.000     0.000 peak  6449 weight  0.10000E+01 volume  0.11750E+01 ppm1      8.658 ppm2      1.240
 OR { 6449}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG23")
 OR { 6449}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG22")
 OR { 6449}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG21")
 OR { 6449}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG23")
 OR { 6449}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG21")
 ASSI { 6445}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "55  " and name "HB  ")
      3.300     3.300     0.000 peak  6445 weight  0.10000E+01 volume  0.21880E+01 ppm1      8.657 ppm2      4.588
 ASSI { 6446}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB2 ")
      3.300     3.300     0.000 peak  6446 weight  0.10000E+01 volume  0.15710E+01 ppm1      8.657 ppm2      1.994
 ASSI { 6451}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD13")
      5.000     5.000     0.000 peak  6451 weight  0.10000E+01 volume  0.47800E+00 ppm1      8.658 ppm2      0.695
 OR { 6451}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 6451}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD11")
 ASSI { 6444}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HG  ")
      2.700     2.700     0.000 peak  6444 weight  0.10000E+01 volume  0.31430E+01 ppm1      8.657 ppm2      1.682
 ASSI { 6447}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "56  " and name "HA  ")
      5.000     5.000     0.000 peak  6447 weight  0.10000E+01 volume  0.11110E+01 ppm1      8.658 ppm2      4.093
 ASSI { 6443}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "55  " and name "HA  ")
      3.300     3.300     0.000 peak  6443 weight  0.10000E+01 volume  0.27940E+01 ppm1      8.657 ppm2      4.965
 ASSI { 6452}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "58  " and name "HN  ")
      6.000     6.000     0.000 peak  6452 weight  0.10000E+01 volume  0.11300E+00 ppm1      8.657 ppm2      7.838
 OR { 6452}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "21  " and name "HN  ")
 ASSI { 6453}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "20  " and name "HA  ")
      6.000     6.000     0.000 peak  6453 weight  0.10000E+01 volume  0.15200E+00 ppm1      8.657 ppm2      4.397
 OR { 6453}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "57  " and name "HA  ")
 ASSI { 6455}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG22")
      6.000     6.000     0.000 peak  6455 weight  0.10000E+01 volume  0.11200E+00 ppm1      8.659 ppm2      1.004
 OR { 6455}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG23")
 OR { 6455}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 6455}
     (segid "    " and resid "56  " and name "HN  ")
     (segid "    " and resid "61  " and name "HB1 ")
 ASSI { 6466}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB1 ")
      5.000     5.000     0.000 peak  6466 weight  0.10000E+01 volume  0.51200E+00 ppm1      8.713 ppm2      1.280
 OR { 6466}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "61  " and name "HB2 ")
 ASSI { 6463}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB2 ")
      5.000     5.000     0.000 peak  6463 weight  0.10000E+01 volume  0.10740E+01 ppm1      8.713 ppm2      1.998
 ASSI { 6467}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HG  ")
      6.000     6.000     0.000 peak  6467 weight  0.10000E+01 volume  0.16000E+00 ppm1      8.712 ppm2      1.672
 OR { 6467}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "1   " and name "HE1 ")
 OR { 6467}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "1   " and name "HE2 ")
 OR { 6467}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "1   " and name "HE3 ")
 ASSI { 6468}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "55  " and name "HA  ")
      6.000     6.000     0.000 peak  6468 weight  0.10000E+01 volume  0.19100E+00 ppm1      8.711 ppm2      4.966
 ASSI { 6465}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG23")
      5.000     5.000     0.000 peak  6465 weight  0.10000E+01 volume  0.52200E+00 ppm1      8.712 ppm2      1.201
 OR { 6465}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG21")
 OR { 6465}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG22")
 OR { 6465}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "22  " and name "HG23")
 ASSI { 6464}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "19  " and name "HA  ")
      5.000     5.000     0.000 peak  6464 weight  0.10000E+01 volume  0.77300E+00 ppm1      8.712 ppm2      4.099
 OR { 6464}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HA  ")
 ASSI { 6462}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "55  " and name "HB  ")
      5.000     5.000     0.000 peak  6462 weight  0.10000E+01 volume  0.11660E+01 ppm1      8.712 ppm2      4.589
 ASSI { 6471}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD13")
      6.000     6.000     0.000 peak  6471 weight  0.10000E+01 volume  0.13500E+00 ppm1      8.718 ppm2      0.690
 OR { 6471}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD12")
 OR { 6471}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD11")
 ASSI { 6469}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD23")
      6.000     6.000     0.000 peak  6469 weight  0.10000E+01 volume  0.98000E-01 ppm1      8.713 ppm2      0.544
 OR { 6469}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD21")
 OR { 6469}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 6469}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 6469}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 6469}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD13")
 ASSI { 6461}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "58  " and name "HN  ")
      5.000     5.000     0.000 peak  6461 weight  0.10000E+01 volume  0.98100E+00 ppm1      8.712 ppm2      7.845
 ASSI { 6473}
     (segid "    " and resid "57  " and name "HN  ")
     (segid "    " and resid "59  " and name "HN  ")
      6.000     6.000     0.000 peak  6473 weight  0.10000E+01 volume  0.25000E-01 ppm1      8.720 ppm2      7.469
 ASSI { 6487}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "61  " and name "HN  ")
      6.000     6.000     0.000 peak  6487 weight  0.10000E+01 volume  0.19500E+00 ppm1      7.850 ppm2      6.835
 OR { 6487}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "59  " and name "HE2 ")
 OR { 6487}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "59  " and name "HE1 ")
 ASSI { 6488}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG21")
      6.000     6.000     0.000 peak  6488 weight  0.10000E+01 volume  0.16400E+00 ppm1      7.850 ppm2      1.191
 OR { 6488}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG23")
 OR { 6488}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "55  " and name "HG22")
 ASSI { 6483}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "56  " and name "HA  ")
      6.000     6.000     0.000 peak  6483 weight  0.10000E+01 volume  0.21200E+00 ppm1      7.847 ppm2      4.095
 OR { 6483}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "19  " and name "HA  ")
 ASSI { 6476}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "59  " and name "HN  ")
      5.000     5.000     0.000 peak  6476 weight  0.10000E+01 volume  0.14700E+01 ppm1      7.844 ppm2      7.491
 ASSI { 6477}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "57  " and name "HN  ")
      5.000     5.000     0.000 peak  6477 weight  0.10000E+01 volume  0.14790E+01 ppm1      7.844 ppm2      8.708
 OR { 6477}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "55  " and name "HN  ")
 ASSI { 6486}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "60  " and name "HN  ")
      6.000     6.000     0.000 peak  6486 weight  0.10000E+01 volume  0.11900E+00 ppm1      7.848 ppm2      8.160
 ASSI { 6489}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "54  " and name "HE  ")
      6.000     6.000     0.000 peak  6489 weight  0.10000E+01 volume  0.19200E+00 ppm1      7.847 ppm2      7.205
 OR { 6489}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD1 ")
 OR { 6489}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD2 ")
 ASSI { 6484}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "55  " and name "HB  ")
      6.000     6.000     0.000 peak  6484 weight  0.10000E+01 volume  0.18100E+00 ppm1      7.844 ppm2      4.574
 OR { 6484}
     (segid "    " and resid "58  " and name "HN  ")
     (segid "    " and resid "59  " and name "HA  ")
 ASSI { 6485}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "60  " and name "HN  ")
      3.300     3.300     0.000 peak  6485 weight  0.10000E+01 volume  0.20890E+01 ppm1      7.488 ppm2      8.152
 ASSI { 6502}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "57  " and name "HN  ")
      6.000     6.000     0.000 peak  6502 weight  0.10000E+01 volume  0.17700E+00 ppm1      7.491 ppm2      8.710
 OR { 6502}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "55  " and name "HN  ")
 ASSI { 6497}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "58  " and name "HA  ")
      5.000     5.000     0.000 peak  6497 weight  0.10000E+01 volume  0.48700E+00 ppm1      7.488 ppm2      4.360
 OR { 6497}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "57  " and name "HA  ")
 ASSI { 6496}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "61  " and name "HN  ")
      5.000     5.000     0.000 peak  6496 weight  0.10000E+01 volume  0.33700E+00 ppm1      7.487 ppm2      6.813
 OR { 6496}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HE1 ")
 ASSI { 6494}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HA  ")
      5.000     5.000     0.000 peak  6494 weight  0.10000E+01 volume  0.88700E+00 ppm1      7.488 ppm2      4.528
 ASSI { 6503}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "61  " and name "HG  ")
      6.000     6.000     0.000 peak  6503 weight  0.10000E+01 volume  0.11400E+00 ppm1      7.487 ppm2      1.091
 ASSI { 6495}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB1 ")
      5.000     5.000     0.000 peak  6495 weight  0.10000E+01 volume  0.70300E+00 ppm1      7.488 ppm2      3.432
 ASSI { 6504}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "61  " and name "HB2 ")
      6.000     6.000     0.000 peak  6504 weight  0.10000E+01 volume  0.79000E-01 ppm1      7.496 ppm2      1.286
 OR { 6504}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB1 ")
 ASSI { 6501}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD12")
      6.000     6.000     0.000 peak  6501 weight  0.10000E+01 volume  0.16400E+00 ppm1      7.492 ppm2      0.541
 OR { 6501}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 6501}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 6501}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD23")
 OR { 6501}
     (segid "    " and resid "59  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD22")
 ASSI { 6514}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB1 ")
      6.000     6.000     0.000 peak  6514 weight  0.10000E+01 volume  0.20100E+00 ppm1      8.147 ppm2      3.420
 ASSI { 6507}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "61  " and name "HN  ")
      5.000     5.000     0.000 peak  6507 weight  0.10000E+01 volume  0.10880E+01 ppm1      8.147 ppm2      6.811
 ASSI { 6516}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD1 ")
      6.000     6.000     0.000 peak  6516 weight  0.10000E+01 volume  0.15400E+00 ppm1      8.150 ppm2      7.225
 OR { 6516}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "59  " and name "HD2 ")
 ASSI { 6520}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "61  " and name "HG  ")
      6.000     6.000     0.000 peak  6520 weight  0.10000E+01 volume  0.35000E-01 ppm1      8.153 ppm2      1.092
 ASSI { 6519}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD11")
      6.000     6.000     0.000 peak  6519 weight  0.10000E+01 volume  0.73000E-01 ppm1      8.152 ppm2      0.539
 OR { 6519}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 6519}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 6519}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD22")
 OR { 6519}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "56  " and name "HD23")
 ASSI { 6518}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "61  " and name "HB2 ")
      6.000     6.000     0.000 peak  6518 weight  0.10000E+01 volume  0.47000E-01 ppm1      8.153 ppm2      1.320
 OR { 6518}
     (segid "    " and resid "60  " and name "HN  ")
     (segid "    " and resid "56  " and name "HB1 ")
 ASSI { 6508}
     (segid "    " and resid "60  " and name "HD21")
     (segid "    " and resid "60  " and name "HD22")
      2.700     2.700     0.000 peak  6508 weight  0.10000E+01 volume  0.16351E+02 ppm1      7.538 ppm2      6.834
 ASSI { 6525}
     (segid "    " and resid "60  " and name "HD22")
     (segid "    " and resid "60  " and name "HB1 ")
      6.000     6.000     0.000 peak  6525 weight  0.10000E+01 volume  0.85000E-01 ppm1      6.832 ppm2      2.828
 ASSI { 6524}
     (segid "    " and resid "60  " and name "HD22")
     (segid "    " and resid "60  " and name "HB2 ")
      6.000     6.000     0.000 peak  6524 weight  0.10000E+01 volume  0.12800E+00 ppm1      6.829 ppm2      3.225
 ASSI { 6539}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "59  " and name "HN  ")
      6.000     6.000     0.000 peak  6539 weight  0.10000E+01 volume  0.25600E+00 ppm1      6.806 ppm2      7.494
 OR { 6539}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "60  " and name "HD21")
 ASSI { 6540}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB2 ")
      6.000     6.000     0.000 peak  6540 weight  0.10000E+01 volume  0.23900E+00 ppm1      6.809 ppm2      2.566
 ASSI { 6544}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "60  " and name "HB1 ")
      6.000     6.000     0.000 peak  6544 weight  0.10000E+01 volume  0.36000E-01 ppm1      6.811 ppm2      2.826
 ASSI { 6537}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD11")
      5.000     5.000     0.000 peak  6537 weight  0.10000E+01 volume  0.46800E+00 ppm1      6.810 ppm2      0.545
 OR { 6537}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 6537}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD12")
 ASSI { 6532}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "60  " and name "HA  ")
      3.300     3.300     0.000 peak  6532 weight  0.10000E+01 volume  0.15960E+01 ppm1      6.809 ppm2      4.443
 OR { 6532}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "57  " and name "HA  ")
 ASSI { 6538}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD23")
      5.000     5.000     0.000 peak  6538 weight  0.10000E+01 volume  0.30700E+00 ppm1      6.808 ppm2     -0.095
 OR { 6538}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD21")
 OR { 6538}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD22")
 ASSI { 6543}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "60  " and name "HB2 ")
      6.000     6.000     0.000 peak  6543 weight  0.10000E+01 volume  0.62000E-01 ppm1      6.810 ppm2      3.229
 ASSI { 6541}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "62  " and name "HN  ")
      6.000     6.000     0.000 peak  6541 weight  0.10000E+01 volume  0.72000E-01 ppm1      6.810 ppm2      7.691
 ASSI { 6542}
     (segid "    " and resid "61  " and name "HN  ")
     (segid "    " and resid "59  " and name "HB1 ")
      6.000     6.000     0.000 peak  6542 weight  0.10000E+01 volume  0.86000E-01 ppm1      6.811 ppm2      3.416
 ASSI { 6553}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "62  " and name "HB1 ")
      5.000     5.000     0.000 peak  6553 weight  0.10000E+01 volume  0.42600E+00 ppm1      7.694 ppm2      2.209
 ASSI { 6550}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "62  " and name "HG2 ")
      5.000     5.000     0.000 peak  6550 weight  0.10000E+01 volume  0.77600E+00 ppm1      7.693 ppm2      2.347
 OR { 6550}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "62  " and name "HG1 ")
 ASSI { 6559}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD13")
      6.000     6.000     0.000 peak  6559 weight  0.10000E+01 volume  0.11300E+00 ppm1      7.683 ppm2      0.560
 OR { 6559}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 6559}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 6559}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "3   " and name "HD12")
 OR { 6559}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "3   " and name "HD13")
 ASSI { 6555}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "63  " and name "HN  ")
      6.000     6.000     0.000 peak  6555 weight  0.10000E+01 volume  0.13800E+00 ppm1      7.688 ppm2      8.418
 ASSI { 6556}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "62  " and name "HE22")
      6.000     6.000     0.000 peak  6556 weight  0.10000E+01 volume  0.92000E-01 ppm1      7.685 ppm2      6.809
 OR { 6556}
     (segid "    " and resid "62  " and name "HN  ")
     (segid "    " and resid "61  " and name "HN  ")
 ASSI { 6567}
     (segid "    " and resid "62  " and name "HE21")
     (segid "    " and resid "62  " and name "HG2 ")
      5.000     5.000     0.000 peak  6567 weight  0.10000E+01 volume  0.50500E+00 ppm1      7.244 ppm2      2.346
 OR { 6567}
     (segid "    " and resid "62  " and name "HE21")
     (segid "    " and resid "62  " and name "HG1 ")
 ASSI { 6562}
     (segid "    " and resid "62  " and name "HE21")
     (segid "    " and resid "62  " and name "HE22")
      2.700     2.700     0.000 peak  6562 weight  0.10000E+01 volume  0.15165E+02 ppm1      7.244 ppm2      6.811
 ASSI { 6580}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "62  " and name "HB1 ")
      3.300     3.300     0.000 peak  6580 weight  0.10000E+01 volume  0.16400E+01 ppm1      8.413 ppm2      2.207
 ASSI { 6586}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "64  " and name "HN  ")
      6.000     6.000     0.000 peak  6586 weight  0.10000E+01 volume  0.18200E+00 ppm1      8.414 ppm2      9.114
 ASSI { 6577}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "62  " and name "HA  ")
      3.300     3.300     0.000 peak  6577 weight  0.10000E+01 volume  0.23550E+01 ppm1      8.411 ppm2      4.595
 ASSI { 6583}
     (segid "    " and resid "63  " and name "HN  ")
     (segid "    " and resid "63  " and name "HG2 ")
      5.000     5.000     0.000 peak  6583 weight  0.10000E+01 volume  0.96600E+00 ppm1      8.413 ppm2      1.465
 ASSI { 6600}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "2   " and name "HB2 ")
      6.000     6.000     0.000 peak  6600 weight  0.10000E+01 volume  0.22200E+00 ppm1      9.114 ppm2      1.708
 OR { 6600}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "63  " and name "HD1 ")
 OR { 6600}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "63  " and name "HD2 ")
 OR { 6600}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "1   " and name "HE1 ")
 ASSI { 6597}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "63  " and name "HN  ")
      6.000     6.000     0.000 peak  6597 weight  0.10000E+01 volume  0.26500E+00 ppm1      9.115 ppm2      8.412
 OR { 6597}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "4   " and name "HN  ")
 ASSI { 6592}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "64  " and name "HG1 ")
      5.000     5.000     0.000 peak  6592 weight  0.10000E+01 volume  0.87900E+00 ppm1      9.113 ppm2      2.169
 OR { 6592}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "64  " and name "HG2 ")
 OR { 6592}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "1   " and name "HG2 ")
 ASSI { 6591}
     (segid "    " and resid "64  " and name "HN  ")
     (segid "    " and resid "65  " and name "HN  ")
      5.000     5.000     0.000 peak  6591 weight  0.10000E+01 volume  0.84200E+00 ppm1      9.114 ppm2      7.918
 ASSI { 6619}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "3   " and name "HD12")
      6.000     6.000     0.000 peak  6619 weight  0.10000E+01 volume  0.40000E-01 ppm1      7.927 ppm2      0.591
 OR { 6619}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "3   " and name "HD13")
 OR { 6619}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "3   " and name "HD11")
 OR { 6619}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD13")
 OR { 6619}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD11")
 OR { 6619}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "61  " and name "HD12")
 OR { 6619}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG23")
 OR { 6619}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "15  " and name "HG22")
 ASSI { 6613}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "64  " and name "HG2 ")
      6.000     6.000     0.000 peak  6613 weight  0.10000E+01 volume  0.18100E+00 ppm1      7.920 ppm2      2.172
 OR { 6613}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "64  " and name "HG1 ")
 OR { 6613}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "1   " and name "HG2 ")
 OR { 6613}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "62  " and name "HB1 ")
 ASSI { 6611}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "3   " and name "HA  ")
      5.000     5.000     0.000 peak  6611 weight  0.10000E+01 volume  0.47100E+00 ppm1      7.921 ppm2      4.428
 ASSI { 6620}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "3   " and name "HG  ")
      6.000     6.000     0.000 peak  6620 weight  0.10000E+01 volume  0.72000E-01 ppm1      7.923 ppm2      1.406
 OR { 6620}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "3   " and name "HB2 ")
 OR { 6620}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG11")
 ASSI { 6618}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "62  " and name "HB2 ")
      6.000     6.000     0.000 peak  6618 weight  0.10000E+01 volume  0.54000E-01 ppm1      7.926 ppm2      1.828
 OR { 6618}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "63  " and name "HB2 ")
 OR { 6618}
     (segid "    " and resid "65  " and name "HN  ")
     (segid "    " and resid "2   " and name "HG2 ")
 ASSI { 6630}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "45  " and name "HD1 ")
      6.000     6.000     0.000 peak  6630 weight  0.10000E+01 volume  0.18100E+00 ppm1      8.639 ppm2      7.427
 OR { 6630}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "45  " and name "HD2 ")
 OR { 6630}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "45  " and name "HZ  ")
 ASSI { 6625}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG12")
      5.000     5.000     0.000 peak  6625 weight  0.10000E+01 volume  0.44600E+00 ppm1      8.640 ppm2      0.898
 OR { 6625}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "66  " and name "HG23")
 OR { 6625}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "66  " and name "HG21")
 OR { 6625}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "66  " and name "HG22")
 ASSI { 6626}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "45  " and name "HE1 ")
      5.000     5.000     0.000 peak  6626 weight  0.10000E+01 volume  0.40400E+00 ppm1      8.642 ppm2      7.527
 OR { 6626}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "45  " and name "HE2 ")
 ASSI { 6629}
     (segid "    " and resid "66  " and name "HN  ")
     (segid "    " and resid "67  " and name "HN  ")
      6.000     6.000     0.000 peak  6629 weight  0.10000E+01 volume  0.15300E+00 ppm1      8.634 ppm2      9.325
 ASSI { 6632}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HB  ")
      3.300     3.300     0.000 peak  6632 weight  0.10000E+01 volume  0.15100E+01 ppm1      9.324 ppm2      1.725
 ASSI { 6637}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG11")
      5.000     5.000     0.000 peak  6637 weight  0.10000E+01 volume  0.68000E+00 ppm1      9.324 ppm2      1.431
 OR { 6637}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "6   " and name "HG1 ")
 ASSI { 6641}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "6   " and name "HN  ")
      6.000     6.000     0.000 peak  6641 weight  0.10000E+01 volume  0.15300E+00 ppm1      9.324 ppm2      8.968
 ASSI { 6633}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "66  " and name "HG23")
      3.300     3.300     0.000 peak  6633 weight  0.10000E+01 volume  0.16780E+01 ppm1      9.323 ppm2      0.888
 OR { 6633}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "66  " and name "HG21")
 OR { 6633}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG12")
 OR { 6633}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "66  " and name "HG22")
 OR { 6633}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG23")
 OR { 6633}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG22")
 ASSI { 6638}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HA  ")
      5.000     5.000     0.000 peak  6638 weight  0.10000E+01 volume  0.42600E+00 ppm1      9.320 ppm2      4.620
 ASSI { 6636}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HD13")
      5.000     5.000     0.000 peak  6636 weight  0.10000E+01 volume  0.69500E+00 ppm1      9.324 ppm2      0.669
 OR { 6636}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 6636}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 6636}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "5   " and name "HG22")
 OR { 6636}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "5   " and name "HG21")
 OR { 6636}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "5   " and name "HG23")
 OR { 6636}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "5   " and name "HG13")
 OR { 6636}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "5   " and name "HG11")
 ASSI { 6645}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "12  " and name "HG23")
      6.000     6.000     0.000 peak  6645 weight  0.10000E+01 volume  0.13500E+00 ppm1      9.326 ppm2      1.083
 OR { 6645}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "12  " and name "HG21")
 OR { 6645}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 6645}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "69  " and name "HB2 ")
 OR { 6645}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "43  " and name "HB1 ")
 OR { 6645}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "50  " and name "HG  ")
 ASSI { 6642}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "66  " and name "HB  ")
      6.000     6.000     0.000 peak  6642 weight  0.10000E+01 volume  0.11800E+00 ppm1      9.324 ppm2      4.062
 ASSI { 6646}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "5   " and name "HB  ")
      6.000     6.000     0.000 peak  6646 weight  0.10000E+01 volume  0.68000E-01 ppm1      9.324 ppm2      1.935
 OR { 6646}
     (segid "    " and resid "67  " and name "HN  ")
     (segid "    " and resid "2   " and name "HB1 ")
 ASSI { 6657}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "69  " and name "HN  ")
      6.000     6.000     0.000 peak  6657 weight  0.10000E+01 volume  0.62000E-01 ppm1      9.343 ppm2      8.331
 ASSI { 6658}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG11")
      6.000     6.000     0.000 peak  6658 weight  0.10000E+01 volume  0.37000E-01 ppm1      9.343 ppm2      1.407
 OR { 6658}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "6   " and name "HG1 ")
 OR { 6658}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG11")
 ASSI { 6653}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "44  " and name "HB  ")
      5.000     5.000     0.000 peak  6653 weight  0.10000E+01 volume  0.50400E+00 ppm1      9.343 ppm2      1.773
 OR { 6653}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HB  ")
 ASSI { 6650}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "68  " and name "HA  ")
      5.000     5.000     0.000 peak  6650 weight  0.10000E+01 volume  0.81500E+00 ppm1      9.343 ppm2      4.995
 ASSI { 6639}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HA  ")
      3.300     3.300     0.000 peak  6639 weight  0.10000E+01 volume  0.29690E+01 ppm1      9.344 ppm2      4.618
 ASSI { 6652}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG21")
      5.000     5.000     0.000 peak  6652 weight  0.10000E+01 volume  0.48300E+00 ppm1      9.343 ppm2      0.671
 OR { 6652}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD11")
 OR { 6652}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 6652}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 6652}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "5   " and name "HG11")
 OR { 6652}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "5   " and name "HG13")
 OR { 6652}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "5   " and name "HG12")
 OR { 6652}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HD13")
 OR { 6652}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HD12")
 OR { 6652}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HD11")
 OR { 6652}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD12")
 OR { 6652}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD13")
 ASSI { 6647}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG21")
      3.300     3.300     0.000 peak  6647 weight  0.10000E+01 volume  0.17180E+01 ppm1      9.344 ppm2      0.831
 OR { 6647}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG22")
 OR { 6647}
     (segid "    " and resid "68  " and name "HN  ")
     (segid "    " and resid "67  " and name "HG23")
 ASSI { 6667}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "6   " and name "HG1 ")
      5.000     5.000     0.000 peak  6667 weight  0.10000E+01 volume  0.51500E+00 ppm1      8.326 ppm2      1.375
 OR { 6667}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "69  " and name "HG  ")
 OR { 6667}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "6   " and name "HB1 ")
 ASSI { 6670}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "68  " and name "HN  ")
      6.000     6.000     0.000 peak  6670 weight  0.10000E+01 volume  0.26500E+00 ppm1      8.324 ppm2      9.341
 OR { 6670}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "67  " and name "HN  ")
 ASSI { 6671}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "43  " and name "HA  ")
      6.000     6.000     0.000 peak  6671 weight  0.10000E+01 volume  0.28900E+00 ppm1      8.324 ppm2      5.256
 OR { 6671}
     (segid "    " and resid "69  " and name "HN  ")
     (segid "    " and resid "6   " and name "HA  ")
 ASSI { 6685}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "71  " and name "HN  ")
      6.000     6.000     0.000 peak  6685 weight  0.10000E+01 volume  0.12100E+00 ppm1      9.228 ppm2      8.051
 ASSI { 6684}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "42  " and name "HB2 ")
      6.000     6.000     0.000 peak  6684 weight  0.10000E+01 volume  0.29400E+00 ppm1      9.233 ppm2      1.511
 OR { 6684}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "42  " and name "HG1 ")
 ASSI { 6683}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD12")
      6.000     6.000     0.000 peak  6683 weight  0.10000E+01 volume  0.20300E+00 ppm1      9.231 ppm2      0.694
 OR { 6683}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD11")
 OR { 6683}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "44  " and name "HD13")
 OR { 6683}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "5   " and name "HG13")
 OR { 6683}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "5   " and name "HG12")
 OR { 6683}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "5   " and name "HG11")
 OR { 6683}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG22")
 OR { 6683}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG21")
 OR { 6683}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG23")
 OR { 6683}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG22")
 OR { 6683}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "30  " and name "HG21")
 ASSI { 6679}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "42  " and name "HB1 ")
      5.000     5.000     0.000 peak  6679 weight  0.10000E+01 volume  0.51100E+00 ppm1      9.231 ppm2      1.665
 OR { 6679}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "69  " and name "HB1 ")
 ASSI { 6680}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG12")
      6.000     6.000     0.000 peak  6680 weight  0.10000E+01 volume  0.26400E+00 ppm1      9.228 ppm2      1.091
 OR { 6680}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "69  " and name "HB2 ")
 ASSI { 2448}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "43  " and name "HA  ")
      5.000     5.000     0.000 peak  2448 weight  0.10000E+01 volume  0.52500E+00 ppm1      9.231 ppm2      5.276
 ASSI { 6673}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG22")
      3.300     3.300     0.000 peak  6673 weight  0.10000E+01 volume  0.28190E+01 ppm1      9.230 ppm2      0.824
 OR { 6673}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG21")
 OR { 6673}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG23")
 OR { 6673}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 6673}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 6673}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD11")
 ASSI { 6686}
     (segid "    " and resid "70  " and name "HN  ")
     (segid "    " and resid "69  " and name "HN  ")
      6.000     6.000     0.000 peak  6686 weight  0.10000E+01 volume  0.10900E+00 ppm1      9.228 ppm2      8.332
 ASSI { 6698}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "69  " and name "HG  ")
      6.000     6.000     0.000 peak  6698 weight  0.10000E+01 volume  0.10100E+00 ppm1      8.064 ppm2      1.372
 OR { 6698}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "44  " and name "HG11")
 ASSI { 6699}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "69  " and name "HA  ")
      6.000     6.000     0.000 peak  6699 weight  0.10000E+01 volume  0.96000E-01 ppm1      8.060 ppm2      5.054
 OR { 6699}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "68  " and name "HA  ")
 ASSI { 6695}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "72  " and name "HN  ")
      6.000     6.000     0.000 peak  6695 weight  0.10000E+01 volume  0.19100E+00 ppm1      8.062 ppm2      8.529
 ASSI { 6693}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG23")
      5.000     5.000     0.000 peak  6693 weight  0.10000E+01 volume  0.82200E+00 ppm1      8.062 ppm2      0.833
 OR { 6693}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG21")
 OR { 6693}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG22")
 OR { 6693}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 6693}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 6693}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD11")
 ASSI { 6692}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "71  " and name "HA  ")
      5.000     5.000     0.000 peak  6692 weight  0.10000E+01 volume  0.82800E+00 ppm1      8.060 ppm2      4.844
 ASSI { 6691}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG13")
      3.300     3.300     0.000 peak  6691 weight  0.10000E+01 volume  0.15780E+01 ppm1      8.061 ppm2      0.944
 OR { 6691}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "8   " and name "HD21")
 OR { 6691}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG12")
 OR { 6691}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG11")
 OR { 6691}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD11")
 OR { 6691}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD12")
 OR { 6691}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD13")
 ASSI { 6696}
     (segid "    " and resid "71  " and name "HN  ")
     (segid "    " and resid "8   " and name "HG  ")
      6.000     6.000     0.000 peak  6696 weight  0.10000E+01 volume  0.15500E+00 ppm1      8.065 ppm2      1.874
 ASSI { 2559}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "41  " and name "HA  ")
      6.000     6.000     0.000 peak  2559 weight  0.10000E+01 volume  0.10400E+00 ppm1      8.543 ppm2      4.109
 ASSI { 6701}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "72  " and name "HG2 ")
      3.300     3.300     0.000 peak  6701 weight  0.10000E+01 volume  0.28090E+01 ppm1      8.541 ppm2      1.520
 OR { 6701}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "72  " and name "HB2 ")
 OR { 6701}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "72  " and name "HG1 ")
 OR { 6701}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "71  " and name "HB2 ")
 ASSI { 6700}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "71  " and name "HA  ")
      2.700     2.700     0.000 peak  6700 weight  0.10000E+01 volume  0.41830E+01 ppm1      8.540 ppm2      4.844
 ASSI { 6712}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "40  " and name "HB1 ")
      6.000     6.000     0.000 peak  6712 weight  0.10000E+01 volume  0.86000E-01 ppm1      8.541 ppm2      2.462
 ASSI { 6715}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "41  " and name "HB2 ")
      6.000     6.000     0.000 peak  6715 weight  0.10000E+01 volume  0.67000E-01 ppm1      8.541 ppm2      1.924
 OR { 6715}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "41  " and name "HB1 ")
 OR { 6715}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "37  " and name "HB2 ")
 OR { 6715}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "8   " and name "HG  ")
 OR { 6715}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "8   " and name "HB1 ")
 ASSI { 6706}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD21")
      5.000     5.000     0.000 peak  6706 weight  0.10000E+01 volume  0.52700E+00 ppm1      8.540 ppm2      0.860
 OR { 6706}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD23")
 OR { 6706}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD22")
 OR { 6706}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG21")
 OR { 6706}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG23")
 OR { 6706}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD12")
 OR { 6706}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD13")
 OR { 6706}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "69  " and name "HD11")
 ASSI { 6705}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "40  " and name "HA  ")
      5.000     5.000     0.000 peak  6705 weight  0.10000E+01 volume  0.42300E+00 ppm1      8.540 ppm2      4.434
 OR { 6705}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 6705}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "73  " and name "HA  ")
 ASSI { 6707}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD13")
      5.000     5.000     0.000 peak  6707 weight  0.10000E+01 volume  0.44500E+00 ppm1      8.541 ppm2      0.953
 OR { 6707}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD11")
 OR { 6707}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "71  " and name "HD12")
 OR { 6707}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG13")
 OR { 6707}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "70  " and name "HG12")
 OR { 6707}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "36  " and name "HG21")
 ASSI { 6714}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "42  " and name "HD1 ")
      6.000     6.000     0.000 peak  6714 weight  0.10000E+01 volume  0.58000E-01 ppm1      8.541 ppm2      3.114
 OR { 6714}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "72  " and name "HD2 ")
 OR { 6714}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "42  " and name "HD2 ")
 OR { 6714}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "72  " and name "HD1 ")
 ASSI { 6710}
     (segid "    " and resid "72  " and name "HN  ")
     (segid "    " and resid "73  " and name "HN  ")
      6.000     6.000     0.000 peak  6710 weight  0.10000E+01 volume  0.17100E+00 ppm1      8.539 ppm2      8.342
 ASSI { 6723}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD23")
      5.000     5.000     0.000 peak  6723 weight  0.10000E+01 volume  0.35500E+00 ppm1      8.354 ppm2      0.883
 OR { 6723}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD22")
 OR { 6723}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD21")
 OR { 6723}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD11")
 OR { 6723}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD13")
 OR { 6723}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD12")
 ASSI { 2028}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HG  ")
      2.700     2.700     0.000 peak  2028 weight  0.10000E+01 volume  0.37800E+01 ppm1      8.351 ppm2      1.623
 OR { 2028}
     (segid "    " and resid "73  " and name "HN  ")
     (segid "    " and resid "73  " and name "HB1 ")
 ASSI { 6729}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "73  " and name "HB1 ")
      5.000     5.000     0.000 peak  6729 weight  0.10000E+01 volume  0.70000E+00 ppm1      8.430 ppm2      1.617
 OR { 6729}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "74  " and name "HG1 ")
 OR { 6729}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "74  " and name "HG2 ")
 ASSI { 6730}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "74  " and name "HB2 ")
      5.000     5.000     0.000 peak  6730 weight  0.10000E+01 volume  0.85100E+00 ppm1      8.430 ppm2      1.787
 ASSI { 6731}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "74  " and name "HA  ")
      5.000     5.000     0.000 peak  6731 weight  0.10000E+01 volume  0.49200E+00 ppm1      8.431 ppm2      4.279
 ASSI { 6733}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD22")
      6.000     6.000     0.000 peak  6733 weight  0.10000E+01 volume  0.12300E+00 ppm1      8.426 ppm2      0.884
 OR { 6733}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD21")
 OR { 6733}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD11")
 OR { 6733}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD23")
 OR { 6733}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD13")
 OR { 6733}
     (segid "    " and resid "74  " and name "HN  ")
     (segid "    " and resid "73  " and name "HD12")
 ASSI { 6740}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "74  " and name "HG2 ")
      6.000     6.000     0.000 peak  6740 weight  0.10000E+01 volume  0.43000E-01 ppm1      8.476 ppm2      1.613
 OR { 6740}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "73  " and name "HB1 ")
 OR { 6740}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "74  " and name "HG1 ")
 ASSI { 6739}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "74  " and name "HB2 ")
      6.000     6.000     0.000 peak  6739 weight  0.10000E+01 volume  0.51000E-01 ppm1      8.475 ppm2      1.805
 ASSI { 6736}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "74  " and name "HA  ")
      5.000     5.000     0.000 peak  6736 weight  0.10000E+01 volume  0.75200E+00 ppm1      8.476 ppm2      4.279
 ASSI { 6738}
     (segid "    " and resid "75  " and name "HN  ")
     (segid "    " and resid "76  " and name "HN  ")
      6.000     6.000     0.000 peak  6738 weight  0.10000E+01 volume  0.54000E-01 ppm1      8.474 ppm2      7.942
 ASSI { 6747}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "74  " and name "HG1 ")
      6.000     6.000     0.000 peak  6747 weight  0.10000E+01 volume  0.72000E-01 ppm1      7.939 ppm2      1.635
 OR { 6747}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "74  " and name "HG2 ")
 OR { 6747}
     (segid "    " and resid "76  " and name "HN  ")
     (segid "    " and resid "73  " and name "HB1 ")
 ASSI { 2128}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "1   " and name "HB2 ")
      3.300     3.300     0.000 peak  2128 weight  0.10000E+01 volume  0.21470E+01 ppm1      4.084 ppm2      1.984
 ASSI { 2129}
     (segid "    " and resid "1   " and name "HA  ")
     (segid "    " and resid "1   " and name "HG1 ")
      5.000     5.000     0.000 peak  2129 weight  0.10000E+01 volume  0.30800E+00 ppm1      4.083 ppm2      2.513
 ASSI { 2101}
     (segid "    " and resid "2   " and name "HB1 ")
     (segid "    " and resid "2   " and name "HA  ")
      5.000     5.000     0.000 peak  2101 weight  0.10000E+01 volume  0.75800E+00 ppm1      1.885 ppm2      4.652
 ASSI { 2811}
     (segid "    " and resid "2   " and name "HB2 ")
     (segid "    " and resid "2   " and name "HA  ")
      5.000     5.000     0.000 peak  2811 weight  0.10000E+01 volume  0.81200E+00 ppm1      1.726 ppm2      4.657
 ASSI { 2114}
     (segid "    " and resid "2   " and name "HG1 ")
     (segid "    " and resid "2   " and name "HA  ")
      5.000     5.000     0.000 peak  2114 weight  0.10000E+01 volume  0.44100E+00 ppm1      2.169 ppm2      4.651
 ASSI { 2121}
     (segid "    " and resid "2   " and name "HG2 ")
     (segid "    " and resid "2   " and name "HA  ")
      5.000     5.000     0.000 peak  2121 weight  0.10000E+01 volume  0.41000E+00 ppm1      1.819 ppm2      4.650
 ASSI { 2050}
     (segid "    " and resid "3   " and name "HB1 ")
     (segid "    " and resid "3   " and name "HA  ")
      3.300     3.300     0.000 peak  2050 weight  0.10000E+01 volume  0.16680E+01 ppm1      1.133 ppm2      4.439
 ASSI { 2085}
     (segid "    " and resid "3   " and name "HD12")
     (segid "    " and resid "3   " and name "HA  ")
      5.000     5.000     0.000 peak  2085 weight  0.10000E+01 volume  0.49200E+00 ppm1      0.583 ppm2      4.439
 OR { 2085}
     (segid "    " and resid "3   " and name "HD11")
     (segid "    " and resid "3   " and name "HA  ")
 OR { 2085}
     (segid "    " and resid "3   " and name "HD13")
     (segid "    " and resid "3   " and name "HA  ")
 ASSI { 2072}
     (segid "    " and resid "3   " and name "HD23")
     (segid "    " and resid "3   " and name "HA  ")
      3.300     3.300     0.000 peak  2072 weight  0.10000E+01 volume  0.22510E+01 ppm1      0.738 ppm2      4.441
 OR { 2072}
     (segid "    " and resid "3   " and name "HD22")
     (segid "    " and resid "3   " and name "HA  ")
 OR { 2072}
     (segid "    " and resid "3   " and name "HD21")
     (segid "    " and resid "3   " and name "HA  ")
 ASSI { 1990}
     (segid "    " and resid "4   " and name "HA  ")
     (segid "    " and resid "4   " and name "HB1 ")
      3.300     3.300     0.000 peak  1990 weight  0.10000E+01 volume  0.20190E+01 ppm1      5.604 ppm2      2.811
 ASSI { 1955}
     (segid "    " and resid "5   " and name "HB  ")
     (segid "    " and resid "5   " and name "HA  ")
      5.000     5.000     0.000 peak  1955 weight  0.10000E+01 volume  0.10120E+01 ppm1      1.910 ppm2      4.997
 ASSI { 2195}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "6   " and name "HE2 ")
      6.000     6.000     0.000 peak  2195 weight  0.10000E+01 volume  0.16500E+00 ppm1      1.365 ppm2      2.880
 OR { 2195}
     (segid "    " and resid "6   " and name "HB1 ")
     (segid "    " and resid "6   " and name "HE1 ")
 ASSI { 2182}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "6   " and name "HE2 ")
      6.000     6.000     0.000 peak  2182 weight  0.10000E+01 volume  0.18200E+00 ppm1      1.669 ppm2      2.889
 OR { 2182}
     (segid "    " and resid "6   " and name "HB2 ")
     (segid "    " and resid "6   " and name "HE1 ")
 ASSI { 2232}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "6   " and name "HE1 ")
      5.000     5.000     0.000 peak  2232 weight  0.10000E+01 volume  0.80300E+00 ppm1      1.563 ppm2      2.877
 OR { 2232}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "6   " and name "HE2 ")
 OR { 2232}
     (segid "    " and resid "6   " and name "HD2 ")
     (segid "    " and resid "6   " and name "HE2 ")
 OR { 2232}
     (segid "    " and resid "6   " and name "HD1 ")
     (segid "    " and resid "6   " and name "HE1 ")
 ASSI { 2248}
     (segid "    " and resid "6   " and name "HE1 ")
     (segid "    " and resid "6   " and name "HA  ")
      6.000     6.000     0.000 peak  2248 weight  0.10000E+01 volume  0.13000E+00 ppm1      2.885 ppm2      5.236
 OR { 2248}
     (segid "    " and resid "6   " and name "HE2 ")
     (segid "    " and resid "6   " and name "HA  ")
 ASSI { 2465}
     (segid "    " and resid "7   " and name "HG22")
     (segid "    " and resid "7   " and name "HA  ")
      3.300     3.300     0.000 peak  2465 weight  0.10000E+01 volume  0.16610E+01 ppm1      1.139 ppm2      4.908
 OR { 2465}
     (segid "    " and resid "7   " and name "HG21")
     (segid "    " and resid "7   " and name "HA  ")
 OR { 2465}
     (segid "    " and resid "7   " and name "HG23")
     (segid "    " and resid "7   " and name "HA  ")
 ASSI { 2272}
     (segid "    " and resid "8   " and name "HB1 ")
     (segid "    " and resid "8   " and name "HA  ")
      3.300     3.300     0.000 peak  2272 weight  0.10000E+01 volume  0.18100E+01 ppm1      1.931 ppm2      4.304
 ASSI { 2361}
     (segid "    " and resid "9   " and name "HG23")
     (segid "    " and resid "9   " and name "HA  ")
      2.700     2.700     0.000 peak  2361 weight  0.10000E+01 volume  0.33540E+01 ppm1      1.262 ppm2      4.415
 OR { 2361}
     (segid "    " and resid "9   " and name "HG22")
     (segid "    " and resid "9   " and name "HA  ")
 OR { 2361}
     (segid "    " and resid "9   " and name "HG21")
     (segid "    " and resid "9   " and name "HA  ")
 ASSI { 2360}
     (segid "    " and resid "9   " and name "HG21")
     (segid "    " and resid "9   " and name "HB  ")
      2.700     2.700     0.000 peak  2360 weight  0.10000E+01 volume  0.51230E+01 ppm1      1.262 ppm2      4.580
 OR { 2360}
     (segid "    " and resid "9   " and name "HG22")
     (segid "    " and resid "9   " and name "HB  ")
 OR { 2360}
     (segid "    " and resid "9   " and name "HG23")
     (segid "    " and resid "9   " and name "HB  ")
 ASSI { 2400}
     (segid "    " and resid "11  " and name "HB1 ")
     (segid "    " and resid "11  " and name "HG1 ")
      5.000     5.000     0.000 peak  2400 weight  0.10000E+01 volume  0.83900E+00 ppm1      1.778 ppm2      1.408
 ASSI { 2402}
     (segid "    " and resid "11  " and name "HB1 ")
     (segid "    " and resid "11  " and name "HG2 ")
      5.000     5.000     0.000 peak  2402 weight  0.10000E+01 volume  0.80500E+00 ppm1      1.778 ppm2      1.261
 ASSI { 2430}
     (segid "    " and resid "11  " and name "HE1 ")
     (segid "    " and resid "11  " and name "HB1 ")
      5.000     5.000     0.000 peak  2430 weight  0.10000E+01 volume  0.51600E+00 ppm1      2.924 ppm2      1.771
 OR { 2430}
     (segid "    " and resid "11  " and name "HE2 ")
     (segid "    " and resid "11  " and name "HB1 ")
 ASSI { 2431}
     (segid "    " and resid "12  " and name "HB  ")
     (segid "    " and resid "12  " and name "HG23")
      2.700     2.700     0.000 peak  2431 weight  0.10000E+01 volume  0.52070E+01 ppm1      3.924 ppm2      1.047
 OR { 2431}
     (segid "    " and resid "12  " and name "HB  ")
     (segid "    " and resid "12  " and name "HG22")
 OR { 2431}
     (segid "    " and resid "12  " and name "HB  ")
     (segid "    " and resid "12  " and name "HG21")
 ASSI { 2468}
     (segid "    " and resid "12  " and name "HG23")
     (segid "    " and resid "12  " and name "HA  ")
      2.700     2.700     0.000 peak  2468 weight  0.10000E+01 volume  0.34260E+01 ppm1      1.050 ppm2      5.089
 OR { 2468}
     (segid "    " and resid "12  " and name "HG21")
     (segid "    " and resid "12  " and name "HA  ")
 OR { 2468}
     (segid "    " and resid "12  " and name "HG22")
     (segid "    " and resid "12  " and name "HA  ")
 ASSI { 2538}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "14  " and name "HG23")
      3.300     3.300     0.000 peak  2538 weight  0.10000E+01 volume  0.26450E+01 ppm1      5.185 ppm2      1.084
 OR { 2538}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "14  " and name "HG22")
 OR { 2538}
     (segid "    " and resid "14  " and name "HA  ")
     (segid "    " and resid "14  " and name "HG21")
 ASSI { 2560}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "14  " and name "HG23")
      2.700     2.700     0.000 peak  2560 weight  0.10000E+01 volume  0.43690E+01 ppm1      4.007 ppm2      1.085
 OR { 2560}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "14  " and name "HG21")
 OR { 2560}
     (segid "    " and resid "14  " and name "HB  ")
     (segid "    " and resid "14  " and name "HG22")
 ASSI { 2592}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG13")
      3.300     3.300     0.000 peak  2592 weight  0.10000E+01 volume  0.26610E+01 ppm1      4.558 ppm2      0.723
 OR { 2592}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG12")
 OR { 2592}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG11")
 ASSI { 2595}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG23")
      5.000     5.000     0.000 peak  2595 weight  0.10000E+01 volume  0.10940E+01 ppm1      4.557 ppm2      0.575
 OR { 2595}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG21")
 OR { 2595}
     (segid "    " and resid "15  " and name "HA  ")
     (segid "    " and resid "15  " and name "HG22")
 ASSI { 2602}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "15  " and name "HA  ")
      3.300     3.300     0.000 peak  2602 weight  0.10000E+01 volume  0.24860E+01 ppm1      1.768 ppm2      4.555
 ASSI { 2600}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "15  " and name "HG11")
      2.700     2.700     0.000 peak  2600 weight  0.10000E+01 volume  0.36560E+01 ppm1      1.768 ppm2      0.721
 OR { 2600}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "15  " and name "HG13")
 OR { 2600}
     (segid "    " and resid "15  " and name "HB  ")
     (segid "    " and resid "15  " and name "HG12")
 ASSI { 2696}
     (segid "    " and resid "16  " and name "HG2 ")
     (segid "    " and resid "16  " and name "HA  ")
      5.000     5.000     0.000 peak  2696 weight  0.10000E+01 volume  0.51900E+00 ppm1      1.984 ppm2      5.155
 ASSI { 2715}
     (segid "    " and resid "17  " and name "HB2 ")
     (segid "    " and resid "17  " and name "HG  ")
      3.300     3.300     0.000 peak  2715 weight  0.10000E+01 volume  0.28140E+01 ppm1      1.285 ppm2      1.676
 ASSI { 2824}
     (segid "    " and resid "18  " and name "HG1 ")
     (segid "    " and resid "18  " and name "HA  ")
      5.000     5.000     0.000 peak  2824 weight  0.10000E+01 volume  0.61800E+00 ppm1      2.379 ppm2      4.837
 ASSI { 2833}
     (segid "    " and resid "18  " and name "HG2 ")
     (segid "    " and resid "18  " and name "HB2 ")
      2.700     2.700     0.000 peak  2833 weight  0.10000E+01 volume  0.32800E+01 ppm1      2.249 ppm2      1.728
 ASSI { 2850}
     (segid "    " and resid "19  " and name "HA  ")
     (segid "    " and resid "19  " and name "HD2 ")
      5.000     5.000     0.000 peak  2850 weight  0.10000E+01 volume  0.67800E+00 ppm1      4.120 ppm2      3.791
 ASSI { 2879}
     (segid "    " and resid "19  " and name "HB2 ")
     (segid "    " and resid "19  " and name "HA  ")
      3.300     3.300     0.000 peak  2879 weight  0.10000E+01 volume  0.21250E+01 ppm1      2.026 ppm2      4.123
 ASSI { 2920}
     (segid "    " and resid "19  " and name "HD1 ")
     (segid "    " and resid "19  " and name "HB1 ")
      5.000     5.000     0.000 peak  2920 weight  0.10000E+01 volume  0.10990E+01 ppm1      3.979 ppm2      2.376
 ASSI { 2934}
     (segid "    " and resid "19  " and name "HD2 ")
     (segid "    " and resid "19  " and name "HB1 ")
      5.000     5.000     0.000 peak  2934 weight  0.10000E+01 volume  0.84400E+00 ppm1      3.797 ppm2      2.374
 ASSI { 2917}
     (segid "    " and resid "19  " and name "HD1 ")
     (segid "    " and resid "19  " and name "HG1 ")
      2.700     2.700     0.000 peak  2917 weight  0.10000E+01 volume  0.52900E+01 ppm1      3.980 ppm2      2.207
 ASSI { 2905}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "19  " and name "HD1 ")
      5.000     5.000     0.000 peak  2905 weight  0.10000E+01 volume  0.13670E+01 ppm1      2.063 ppm2      3.973
 ASSI { 2904}
     (segid "    " and resid "19  " and name "HG2 ")
     (segid "    " and resid "19  " and name "HD2 ")
      3.300     3.300     0.000 peak  2904 weight  0.10000E+01 volume  0.20550E+01 ppm1      2.062 ppm2      3.797
 ASSI { 2940}
     (segid "    " and resid "20  " and name "HA  ")
     (segid "    " and resid "20  " and name "HB1 ")
      2.700     2.700     0.000 peak  2940 weight  0.10000E+01 volume  0.45260E+01 ppm1      4.414 ppm2      3.781
 ASSI { 3014}
     (segid "    " and resid "21  " and name "HB1 ")
     (segid "    " and resid "21  " and name "HA  ")
      3.300     3.300     0.000 peak  3014 weight  0.10000E+01 volume  0.15760E+01 ppm1      2.727 ppm2      4.852
 ASSI { 2988}
     (segid "    " and resid "21  " and name "HB2 ")
     (segid "    " and resid "21  " and name "HA  ")
      5.000     5.000     0.000 peak  2988 weight  0.10000E+01 volume  0.99000E+00 ppm1      3.082 ppm2      4.844
 ASSI { 3023}
     (segid "    " and resid "22  " and name "HG22")
     (segid "    " and resid "22  " and name "HA  ")
      2.700     2.700     0.000 peak  3023 weight  0.10000E+01 volume  0.32570E+01 ppm1      1.242 ppm2      4.897
 OR { 3023}
     (segid "    " and resid "22  " and name "HG21")
     (segid "    " and resid "22  " and name "HA  ")
 OR { 3023}
     (segid "    " and resid "22  " and name "HG23")
     (segid "    " and resid "22  " and name "HA  ")
 ASSI { 3040}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG12")
      2.700     2.700     0.000 peak  3040 weight  0.10000E+01 volume  0.35380E+01 ppm1      3.389 ppm2      0.723
 OR { 3040}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 3040}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG11")
 ASSI { 3038}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG22")
      2.700     2.700     0.000 peak  3038 weight  0.10000E+01 volume  0.37260E+01 ppm1      3.388 ppm2      1.012
 OR { 3038}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 3038}
     (segid "    " and resid "23  " and name "HA  ")
     (segid "    " and resid "23  " and name "HG23")
 ASSI { 3031}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "23  " and name "HG11")
      2.700     2.700     0.000 peak  3031 weight  0.10000E+01 volume  0.34970E+01 ppm1      2.191 ppm2      0.725
 OR { 3031}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "23  " and name "HG13")
 OR { 3031}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "23  " and name "HG12")
 ASSI { 3036}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "23  " and name "HG23")
      2.700     2.700     0.000 peak  3036 weight  0.10000E+01 volume  0.34680E+01 ppm1      2.194 ppm2      1.011
 OR { 3036}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "23  " and name "HG21")
 OR { 3036}
     (segid "    " and resid "23  " and name "HB  ")
     (segid "    " and resid "23  " and name "HG22")
 ASSI { 3126}
     (segid "    " and resid "24  " and name "HA  ")
     (segid "    " and resid "24  " and name "HG2 ")
      3.300     3.300     0.000 peak  3126 weight  0.10000E+01 volume  0.24550E+01 ppm1      3.856 ppm2      2.327
 ASSI { 3194}
     (segid "    " and resid "25  " and name "HB1 ")
     (segid "    " and resid "25  " and name "HA  ")
      3.300     3.300     0.000 peak  3194 weight  0.10000E+01 volume  0.27910E+01 ppm1      2.844 ppm2      4.567
 ASSI { 3176}
     (segid "    " and resid "25  " and name "HB2 ")
     (segid "    " and resid "25  " and name "HA  ")
      3.300     3.300     0.000 peak  3176 weight  0.10000E+01 volume  0.15850E+01 ppm1      3.146 ppm2      4.566
 ASSI { 3212}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "26  " and name "HB1 ")
      3.300     3.300     0.000 peak  3212 weight  0.10000E+01 volume  0.15350E+01 ppm1      4.013 ppm2      2.368
 ASSI { 3209}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "26  " and name "HB2 ")
      3.300     3.300     0.000 peak  3209 weight  0.10000E+01 volume  0.26240E+01 ppm1      4.013 ppm2      1.261
 ASSI { 3213}
     (segid "    " and resid "26  " and name "HA  ")
     (segid "    " and resid "26  " and name "HG  ")
      5.000     5.000     0.000 peak  3213 weight  0.10000E+01 volume  0.90400E+00 ppm1      4.012 ppm2      1.463
 ASSI { 3246}
     (segid "    " and resid "26  " and name "HD11")
     (segid "    " and resid "26  " and name "HA  ")
      2.700     2.700     0.000 peak  3246 weight  0.10000E+01 volume  0.38580E+01 ppm1      0.755 ppm2      4.012
 OR { 3246}
     (segid "    " and resid "26  " and name "HD13")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 3246}
     (segid "    " and resid "26  " and name "HD12")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 3287}
     (segid "    " and resid "26  " and name "HD21")
     (segid "    " and resid "26  " and name "HA  ")
      5.000     5.000     0.000 peak  3287 weight  0.10000E+01 volume  0.56500E+00 ppm1      0.655 ppm2      4.012
 OR { 3287}
     (segid "    " and resid "26  " and name "HD22")
     (segid "    " and resid "26  " and name "HA  ")
 OR { 3287}
     (segid "    " and resid "26  " and name "HD23")
     (segid "    " and resid "26  " and name "HA  ")
 ASSI { 3284}
     (segid "    " and resid "26  " and name "HD23")
     (segid "    " and resid "26  " and name "HB1 ")
      3.300     3.300     0.000 peak  3284 weight  0.10000E+01 volume  0.25620E+01 ppm1      0.654 ppm2      2.366
 OR { 3284}
     (segid "    " and resid "26  " and name "HD22")
     (segid "    " and resid "26  " and name "HB1 ")
 OR { 3284}
     (segid "    " and resid "26  " and name "HD21")
     (segid "    " and resid "26  " and name "HB1 ")
 ASSI { 3253}
     (segid "    " and resid "26  " and name "HG  ")
     (segid "    " and resid "26  " and name "HB1 ")
      3.300     3.300     0.000 peak  3253 weight  0.10000E+01 volume  0.21820E+01 ppm1      1.474 ppm2      2.375
 ASSI { 3317}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HA  ")
      5.000     5.000     0.000 peak  3317 weight  0.10000E+01 volume  0.64900E+00 ppm1      1.453 ppm2      4.640
 ASSI { 3324}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HE1 ")
      6.000     6.000     0.000 peak  3324 weight  0.10000E+01 volume  0.22900E+00 ppm1      1.446 ppm2      2.748
 ASSI { 3323}
     (segid "    " and resid "27  " and name "HB1 ")
     (segid "    " and resid "27  " and name "HE2 ")
      5.000     5.000     0.000 peak  3323 weight  0.10000E+01 volume  0.32700E+00 ppm1      1.449 ppm2      2.586
 ASSI { 3372}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "27  " and name "HA  ")
      5.000     5.000     0.000 peak  3372 weight  0.10000E+01 volume  0.38300E+00 ppm1      1.674 ppm2      4.632
 OR { 3372}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "27  " and name "HA  ")
 ASSI { 3358}
     (segid "    " and resid "27  " and name "HD2 ")
     (segid "    " and resid "27  " and name "HE2 ")
      3.300     3.300     0.000 peak  3358 weight  0.10000E+01 volume  0.15610E+01 ppm1      1.684 ppm2      2.592
 OR { 3358}
     (segid "    " and resid "27  " and name "HD1 ")
     (segid "    " and resid "27  " and name "HE2 ")
 ASSI { 3327}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "27  " and name "HD1 ")
      2.700     2.700     0.000 peak  3327 weight  0.10000E+01 volume  0.30710E+01 ppm1      2.742 ppm2      1.681
 OR { 3327}
     (segid "    " and resid "27  " and name "HE1 ")
     (segid "    " and resid "27  " and name "HD2 ")
 ASSI { 3413}
     (segid "    " and resid "29  " and name "HA  ")
     (segid "    " and resid "29  " and name "HE2 ")
      6.000     6.000     0.000 peak  3413 weight  0.10000E+01 volume  0.24200E+00 ppm1      4.223 ppm2      3.012
 ASSI { 3427}
     (segid "    " and resid "29  " and name "HB1 ")
     (segid "    " and resid "29  " and name "HA  ")
      3.300     3.300     0.000 peak  3427 weight  0.10000E+01 volume  0.21930E+01 ppm1      1.838 ppm2      4.228
 ASSI { 3470}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "29  " and name "HE1 ")
      5.000     5.000     0.000 peak  3470 weight  0.10000E+01 volume  0.55000E+00 ppm1      1.788 ppm2      3.095
 ASSI { 3465}
     (segid "    " and resid "29  " and name "HD1 ")
     (segid "    " and resid "29  " and name "HE2 ")
      5.000     5.000     0.000 peak  3465 weight  0.10000E+01 volume  0.67900E+00 ppm1      1.787 ppm2      3.012
 ASSI { 2998}
     (segid "    " and resid "29  " and name "HE1 ")
     (segid "    " and resid "29  " and name "HA  ")
      6.000     6.000     0.000 peak  2998 weight  0.10000E+01 volume  0.13300E+00 ppm1      3.081 ppm2      4.218
 ASSI { 3441}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HB2 ")
      3.300     3.300     0.000 peak  3441 weight  0.10000E+01 volume  0.16110E+01 ppm1      1.702 ppm2      2.127
 ASSI { 3452}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HB2 ")
      3.300     3.300     0.000 peak  3452 weight  0.10000E+01 volume  0.19000E+01 ppm1      1.598 ppm2      2.136
 ASSI { 3445}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HE1 ")
      5.000     5.000     0.000 peak  3445 weight  0.10000E+01 volume  0.54500E+00 ppm1      1.703 ppm2      3.091
 ASSI { 3456}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HE1 ")
      5.000     5.000     0.000 peak  3456 weight  0.10000E+01 volume  0.67900E+00 ppm1      1.601 ppm2      3.092
 ASSI { 3444}
     (segid "    " and resid "29  " and name "HG1 ")
     (segid "    " and resid "29  " and name "HE2 ")
      5.000     5.000     0.000 peak  3444 weight  0.10000E+01 volume  0.50900E+00 ppm1      1.704 ppm2      3.009
 ASSI { 3457}
     (segid "    " and resid "29  " and name "HG2 ")
     (segid "    " and resid "29  " and name "HE2 ")
      5.000     5.000     0.000 peak  3457 weight  0.10000E+01 volume  0.59300E+00 ppm1      1.603 ppm2      3.016
 ASSI { 4911}
     (segid "    " and resid "30  " and name "HA  ")
     (segid "    " and resid "30  " and name "HG11")
      3.300     3.300     0.000 peak  4911 weight  0.10000E+01 volume  0.26900E+01 ppm1      3.445 ppm2      1.813
 ASSI { 3536}
     (segid "    " and resid "30  " and name "HG12")
     (segid "    " and resid "30  " and name "HA  ")
      3.300     3.300     0.000 peak  3536 weight  0.10000E+01 volume  0.15830E+01 ppm1      0.674 ppm2      3.441
 ASSI { 3542}
     (segid "    " and resid "30  " and name "HG23")
     (segid "    " and resid "30  " and name "HA  ")
      2.700     2.700     0.000 peak  3542 weight  0.10000E+01 volume  0.36910E+01 ppm1      0.657 ppm2      3.441
 OR { 3542}
     (segid "    " and resid "30  " and name "HG22")
     (segid "    " and resid "30  " and name "HA  ")
 OR { 3542}
     (segid "    " and resid "30  " and name "HG21")
     (segid "    " and resid "30  " and name "HA  ")
 ASSI { 3627}
     (segid "    " and resid "31  " and name "HG1 ")
     (segid "    " and resid "31  " and name "HA  ")
      3.300     3.300     0.000 peak  3627 weight  0.10000E+01 volume  0.15010E+01 ppm1      2.264 ppm2      3.777
 ASSI { 3640}
     (segid "    " and resid "31  " and name "HG2 ")
     (segid "    " and resid "31  " and name "HA  ")
      3.300     3.300     0.000 peak  3640 weight  0.10000E+01 volume  0.21000E+01 ppm1      1.930 ppm2      3.775
 ASSI { 3674}
     (segid "    " and resid "33  " and name "HB1 ")
     (segid "    " and resid "33  " and name "HA  ")
      3.300     3.300     0.000 peak  3674 weight  0.10000E+01 volume  0.27300E+01 ppm1      2.015 ppm2      4.344
 ASSI { 3675}
     (segid "    " and resid "33  " and name "HB2 ")
     (segid "    " and resid "33  " and name "HA  ")
      3.300     3.300     0.000 peak  3675 weight  0.10000E+01 volume  0.20540E+01 ppm1      1.828 ppm2      4.344
 ASSI { 3468}
     (segid "    " and resid "33  " and name "HD1 ")
     (segid "    " and resid "33  " and name "HE1 ")
      5.000     5.000     0.000 peak  3468 weight  0.10000E+01 volume  0.49200E+00 ppm1      1.738 ppm2      3.175
 ASSI { 3486}
     (segid "    " and resid "33  " and name "HD2 ")
     (segid "    " and resid "33  " and name "HE1 ")
      5.000     5.000     0.000 peak  3486 weight  0.10000E+01 volume  0.49700E+00 ppm1      1.651 ppm2      3.178
 ASSI { 3702}
     (segid "    " and resid "33  " and name "HE1 ")
     (segid "    " and resid "33  " and name "HA  ")
      6.000     6.000     0.000 peak  3702 weight  0.10000E+01 volume  0.13100E+00 ppm1      3.174 ppm2      4.333
 ASSI { 3008}
     (segid "    " and resid "33  " and name "HE2 ")
     (segid "    " and resid "33  " and name "HA  ")
      6.000     6.000     0.000 peak  3008 weight  0.10000E+01 volume  0.10500E+00 ppm1      3.090 ppm2      4.332
 ASSI { 3704}
     (segid "    " and resid "33  " and name "HG1 ")
     (segid "    " and resid "33  " and name "HE2 ")
      5.000     5.000     0.000 peak  3704 weight  0.10000E+01 volume  0.61900E+00 ppm1      1.640 ppm2      3.072
 OR { 3704}
     (segid "    " and resid "33  " and name "HG2 ")
     (segid "    " and resid "33  " and name "HE2 ")
 ASSI { 3743}
     (segid "    " and resid "34  " and name "HG1 ")
     (segid "    " and resid "34  " and name "HA  ")
      5.000     5.000     0.000 peak  3743 weight  0.10000E+01 volume  0.50600E+00 ppm1      2.163 ppm2      4.623
 ASSI { 3759}
     (segid "    " and resid "34  " and name "HG2 ")
     (segid "    " and resid "34  " and name "HA  ")
      5.000     5.000     0.000 peak  3759 weight  0.10000E+01 volume  0.39800E+00 ppm1      2.081 ppm2      4.621
 ASSI { 3786}
     (segid "    " and resid "36  " and name "HA  ")
     (segid "    " and resid "36  " and name "HG12")
      5.000     5.000     0.000 peak  3786 weight  0.10000E+01 volume  0.13180E+01 ppm1      4.457 ppm2      1.110
 ASSI { 3794}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "36  " and name "HD12")
      3.300     3.300     0.000 peak  3794 weight  0.10000E+01 volume  0.21790E+01 ppm1      1.444 ppm2      0.808
 OR { 3794}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "36  " and name "HD11")
 OR { 3794}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "36  " and name "HD13")
 ASSI { 3793}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "36  " and name "HG23")
      2.700     2.700     0.000 peak  3793 weight  0.10000E+01 volume  0.41930E+01 ppm1      1.444 ppm2      0.930
 OR { 3793}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "36  " and name "HG22")
 OR { 3793}
     (segid "    " and resid "36  " and name "HB  ")
     (segid "    " and resid "36  " and name "HG21")
 ASSI { 2861}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "37  " and name "HA  ")
      3.300     3.300     0.000 peak  2861 weight  0.10000E+01 volume  0.24830E+01 ppm1      2.412 ppm2      4.618
 ASSI { 2866}
     (segid "    " and resid "37  " and name "HB1 ")
     (segid "    " and resid "37  " and name "HD2 ")
      5.000     5.000     0.000 peak  2866 weight  0.10000E+01 volume  0.58700E+00 ppm1      2.412 ppm2      3.551
 ASSI { 3912}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "37  " and name "HA  ")
      5.000     5.000     0.000 peak  3912 weight  0.10000E+01 volume  0.30500E+00 ppm1      3.548 ppm2      4.617
 ASSI { 3888}
     (segid "    " and resid "37  " and name "HD1 ")
     (segid "    " and resid "37  " and name "HB1 ")
      5.000     5.000     0.000 peak  3888 weight  0.10000E+01 volume  0.96200E+00 ppm1      4.175 ppm2      2.401
 ASSI { 3903}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "37  " and name "HG2 ")
      2.700     2.700     0.000 peak  3903 weight  0.10000E+01 volume  0.46020E+01 ppm1      3.556 ppm2      2.063
 OR { 3903}
     (segid "    " and resid "37  " and name "HD2 ")
     (segid "    " and resid "37  " and name "HG1 ")
 ASSI { 3918}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "38  " and name "HB1 ")
      2.700     2.700     0.000 peak  3918 weight  0.10000E+01 volume  0.32660E+01 ppm1      4.061 ppm2      2.268
 ASSI { 3920}
     (segid "    " and resid "38  " and name "HA  ")
     (segid "    " and resid "38  " and name "HB2 ")
      3.300     3.300     0.000 peak  3920 weight  0.10000E+01 volume  0.18930E+01 ppm1      4.059 ppm2      2.042
 ASSI { 3956}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HD2 ")
      2.700     2.700     0.000 peak  3956 weight  0.10000E+01 volume  0.45720E+01 ppm1      2.190 ppm2      3.731
 OR { 3956}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HD1 ")
 ASSI { 3960}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "38  " and name "HD1 ")
      2.700     2.700     0.000 peak  3960 weight  0.10000E+01 volume  0.30920E+01 ppm1      1.645 ppm2      3.729
 OR { 3960}
     (segid "    " and resid "38  " and name "HG2 ")
     (segid "    " and resid "38  " and name "HD2 ")
 ASSI { 3954}
     (segid "    " and resid "38  " and name "HG1 ")
     (segid "    " and resid "38  " and name "HG2 ")
      2.700     2.700     0.000 peak  3954 weight  0.10000E+01 volume  0.94590E+01 ppm1      2.190 ppm2      1.646
 ASSI { 4027}
     (segid "    " and resid "40  " and name "HB1 ")
     (segid "    " and resid "40  " and name "HA  ")
      3.300     3.300     0.000 peak  4027 weight  0.10000E+01 volume  0.20660E+01 ppm1      2.468 ppm2      4.444
 ASSI { 3525}
     (segid "    " and resid "40  " and name "HB2 ")
     (segid "    " and resid "40  " and name "HA  ")
      3.300     3.300     0.000 peak  3525 weight  0.10000E+01 volume  0.17460E+01 ppm1      1.791 ppm2      4.445
 ASSI { 4041}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "40  " and name "HA  ")
      2.700     2.700     0.000 peak  4041 weight  0.10000E+01 volume  0.34750E+01 ppm1      2.382 ppm2      4.444
 OR { 4041}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "40  " and name "HA  ")
 ASSI { 4040}
     (segid "    " and resid "40  " and name "HG1 ")
     (segid "    " and resid "40  " and name "HB2 ")
      2.700     2.700     0.000 peak  4040 weight  0.10000E+01 volume  0.46660E+01 ppm1      2.381 ppm2      1.793
 OR { 4040}
     (segid "    " and resid "40  " and name "HG2 ")
     (segid "    " and resid "40  " and name "HB2 ")
 ASSI { 2673}
     (segid "    " and resid "41  " and name "HG2 ")
     (segid "    " and resid "41  " and name "HG1 ")
      2.700     2.700     0.000 peak  2673 weight  0.10000E+01 volume  0.43480E+01 ppm1      1.640 ppm2      2.515
 ASSI { 4004}
     (segid "    " and resid "42  " and name "HA  ")
     (segid "    " and resid "42  " and name "HD1 ")
      5.000     5.000     0.000 peak  4004 weight  0.10000E+01 volume  0.95300E+00 ppm1      4.466 ppm2      3.073
 OR { 4004}
     (segid "    " and resid "42  " and name "HA  ")
     (segid "    " and resid "42  " and name "HD2 ")
 ASSI { 4120}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "42  " and name "HD2 ")
      5.000     5.000     0.000 peak  4120 weight  0.10000E+01 volume  0.13480E+01 ppm1      1.660 ppm2      3.076
 OR { 4120}
     (segid "    " and resid "42  " and name "HB1 ")
     (segid "    " and resid "42  " and name "HD1 ")
 ASSI { 4159}
     (segid "    " and resid "42  " and name "HD2 ")
     (segid "    " and resid "42  " and name "HG2 ")
      2.700     2.700     0.000 peak  4159 weight  0.10000E+01 volume  0.30990E+01 ppm1      3.076 ppm2      1.297
 OR { 4159}
     (segid "    " and resid "42  " and name "HD1 ")
     (segid "    " and resid "42  " and name "HG2 ")
 ASSI { 4118}
     (segid "    " and resid "43  " and name "HB2 ")
     (segid "    " and resid "43  " and name "HB1 ")
      2.700     2.700     0.000 peak  4118 weight  0.10000E+01 volume  0.10930E+02 ppm1      1.702 ppm2      1.032
 ASSI { 4235}
     (segid "    " and resid "43  " and name "HD11")
     (segid "    " and resid "43  " and name "HA  ")
      5.000     5.000     0.000 peak  4235 weight  0.10000E+01 volume  0.43800E+00 ppm1      0.800 ppm2      5.283
 OR { 4235}
     (segid "    " and resid "43  " and name "HD13")
     (segid "    " and resid "43  " and name "HA  ")
 OR { 4235}
     (segid "    " and resid "43  " and name "HD12")
     (segid "    " and resid "43  " and name "HA  ")
 ASSI { 4219}
     (segid "    " and resid "43  " and name "HD22")
     (segid "    " and resid "43  " and name "HA  ")
      2.700     2.700     0.000 peak  4219 weight  0.10000E+01 volume  0.30620E+01 ppm1      0.811 ppm2      5.283
 OR { 4219}
     (segid "    " and resid "43  " and name "HD23")
     (segid "    " and resid "43  " and name "HA  ")
 OR { 4219}
     (segid "    " and resid "43  " and name "HD21")
     (segid "    " and resid "43  " and name "HA  ")
 ASSI { 4264}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "44  " and name "HA  ")
      5.000     5.000     0.000 peak  4264 weight  0.10000E+01 volume  0.46000E+00 ppm1      1.795 ppm2      4.871
 ASSI { 4260}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "44  " and name "HG11")
      3.300     3.300     0.000 peak  4260 weight  0.10000E+01 volume  0.19420E+01 ppm1      1.793 ppm2      1.366
 ASSI { 4261}
     (segid "    " and resid "44  " and name "HB  ")
     (segid "    " and resid "44  " and name "HG12")
      3.300     3.300     0.000 peak  4261 weight  0.10000E+01 volume  0.16330E+01 ppm1      1.793 ppm2      1.083
 ASSI { 4335}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "45  " and name "HB1 ")
      3.300     3.300     0.000 peak  4335 weight  0.10000E+01 volume  0.24850E+01 ppm1      5.191 ppm2      2.926
 ASSI { 4337}
     (segid "    " and resid "45  " and name "HA  ")
     (segid "    " and resid "45  " and name "HB2 ")
      3.300     3.300     0.000 peak  4337 weight  0.10000E+01 volume  0.18970E+01 ppm1      5.190 ppm2      2.770
 ASSI { 4418}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HA  ")
      3.300     3.300     0.000 peak  4418 weight  0.10000E+01 volume  0.16810E+01 ppm1      1.967 ppm2      4.647
 OR { 4418}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HA  ")
 ASSI { 4415}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HG1 ")
      2.700     2.700     0.000 peak  4415 weight  0.10000E+01 volume  0.34710E+01 ppm1      1.970 ppm2      1.556
 OR { 4415}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HG2 ")
 OR { 4415}
     (segid "    " and resid "48  " and name "HB1 ")
     (segid "    " and resid "48  " and name "HG1 ")
 OR { 4415}
     (segid "    " and resid "48  " and name "HB2 ")
     (segid "    " and resid "48  " and name "HG2 ")
 ASSI { 4448}
     (segid "    " and resid "48  " and name "HD1 ")
     (segid "    " and resid "48  " and name "HA  ")
      5.000     5.000     0.000 peak  4448 weight  0.10000E+01 volume  0.31400E+00 ppm1      1.875 ppm2      4.649
 OR { 4448}
     (segid "    " and resid "48  " and name "HD2 ")
     (segid "    " and resid "48  " and name "HA  ")
 ASSI { 3709}
     (segid "    " and resid "48  " and name "HE2 ")
     (segid "    " and resid "48  " and name "HA  ")
      6.000     6.000     0.000 peak  3709 weight  0.10000E+01 volume  0.11600E+00 ppm1      3.147 ppm2      4.634
 OR { 3709}
     (segid "    " and resid "48  " and name "HE1 ")
     (segid "    " and resid "48  " and name "HA  ")
 ASSI { 4434}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "48  " and name "HE2 ")
      5.000     5.000     0.000 peak  4434 weight  0.10000E+01 volume  0.76300E+00 ppm1      1.550 ppm2      3.149
 OR { 4434}
     (segid "    " and resid "48  " and name "HG1 ")
     (segid "    " and resid "48  " and name "HE1 ")
 OR { 4434}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "48  " and name "HE1 ")
 OR { 4434}
     (segid "    " and resid "48  " and name "HG2 ")
     (segid "    " and resid "48  " and name "HE2 ")
 ASSI { 4453}
     (segid "    " and resid "49  " and name "HB2 ")
     (segid "    " and resid "49  " and name "HA  ")
      3.300     3.300     0.000 peak  4453 weight  0.10000E+01 volume  0.21070E+01 ppm1      1.954 ppm2      4.811
 OR { 4453}
     (segid "    " and resid "49  " and name "HB1 ")
     (segid "    " and resid "49  " and name "HA  ")
 ASSI { 4513}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD11")
      3.300     3.300     0.000 peak  4513 weight  0.10000E+01 volume  0.15490E+01 ppm1      1.108 ppm2      0.479
 OR { 4513}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD12")
 OR { 4513}
     (segid "    " and resid "50  " and name "HB1 ")
     (segid "    " and resid "50  " and name "HD13")
 ASSI { 4603}
     (segid "    " and resid "51  " and name "HG1 ")
     (segid "    " and resid "51  " and name "HA  ")
      5.000     5.000     0.000 peak  4603 weight  0.10000E+01 volume  0.91900E+00 ppm1      2.422 ppm2      4.545
 ASSI { 4602}
     (segid "    " and resid "51  " and name "HG1 ")
     (segid "    " and resid "51  " and name "HB2 ")
      3.300     3.300     0.000 peak  4602 weight  0.10000E+01 volume  0.24220E+01 ppm1      2.422 ppm2      1.908
 ASSI { 4610}
     (segid "    " and resid "51  " and name "HG2 ")
     (segid "    " and resid "51  " and name "HB2 ")
      3.300     3.300     0.000 peak  4610 weight  0.10000E+01 volume  0.22260E+01 ppm1      2.291 ppm2      1.909
 ASSI { 4616}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "52  " and name "HB1 ")
      3.300     3.300     0.000 peak  4616 weight  0.10000E+01 volume  0.29670E+01 ppm1      4.273 ppm2      2.636
 ASSI { 4621}
     (segid "    " and resid "52  " and name "HA  ")
     (segid "    " and resid "52  " and name "HB2 ")
      3.300     3.300     0.000 peak  4621 weight  0.10000E+01 volume  0.21030E+01 ppm1      4.273 ppm2      2.469
 ASSI { 4691}
     (segid "    " and resid "54  " and name "HB2 ")
     (segid "    " and resid "54  " and name "HG2 ")
      3.300     3.300     0.000 peak  4691 weight  0.10000E+01 volume  0.23260E+01 ppm1      2.316 ppm2      1.636
 OR { 4691}
     (segid "    " and resid "54  " and name "HB1 ")
     (segid "    " and resid "54  " and name "HG2 ")
 ASSI { 4696}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "54  " and name "HG1 ")
      3.300     3.300     0.000 peak  4696 weight  0.10000E+01 volume  0.24300E+01 ppm1      3.190 ppm2      1.931
 OR { 4696}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "54  " and name "HG1 ")
 ASSI { 4698}
     (segid "    " and resid "54  " and name "HD1 ")
     (segid "    " and resid "54  " and name "HG2 ")
      3.300     3.300     0.000 peak  4698 weight  0.10000E+01 volume  0.26680E+01 ppm1      3.188 ppm2      1.636
 OR { 4698}
     (segid "    " and resid "54  " and name "HD2 ")
     (segid "    " and resid "54  " and name "HG2 ")
 ASSI { 4727}
     (segid "    " and resid "55  " and name "HG22")
     (segid "    " and resid "55  " and name "HA  ")
      2.700     2.700     0.000 peak  4727 weight  0.10000E+01 volume  0.32250E+01 ppm1      1.200 ppm2      4.969
 OR { 4727}
     (segid "    " and resid "55  " and name "HG21")
     (segid "    " and resid "55  " and name "HA  ")
 OR { 4727}
     (segid "    " and resid "55  " and name "HG23")
     (segid "    " and resid "55  " and name "HA  ")
 ASSI { 4750}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HB2 ")
      3.300     3.300     0.000 peak  4750 weight  0.10000E+01 volume  0.15970E+01 ppm1      4.096 ppm2      2.007
 ASSI { 4752}
     (segid "    " and resid "56  " and name "HA  ")
     (segid "    " and resid "56  " and name "HG  ")
      5.000     5.000     0.000 peak  4752 weight  0.10000E+01 volume  0.98300E+00 ppm1      4.094 ppm2      1.694
 ASSI { 4780}
     (segid "    " and resid "56  " and name "HB1 ")
     (segid "    " and resid "56  " and name "HG  ")
      3.300     3.300     0.000 peak  4780 weight  0.10000E+01 volume  0.17850E+01 ppm1      1.282 ppm2      1.678
 ASSI { 4881}
     (segid "    " and resid "58  " and name "HB2 ")
     (segid "    " and resid "58  " and name "HA  ")
      5.000     5.000     0.000 peak  4881 weight  0.10000E+01 volume  0.13870E+01 ppm1      2.932 ppm2      4.336
 ASSI { 4878}
     (segid "    " and resid "59  " and name "HA  ")
     (segid "    " and resid "59  " and name "HB1 ")
      3.300     3.300     0.000 peak  4878 weight  0.10000E+01 volume  0.25960E+01 ppm1      4.535 ppm2      3.437
 ASSI { 4892}
     (segid "    " and resid "59  " and name "HA  ")
     (segid "    " and resid "59  " and name "HB2 ")
      3.300     3.300     0.000 peak  4892 weight  0.10000E+01 volume  0.16300E+01 ppm1      4.536 ppm2      2.571
 ASSI { 4924}
     (segid "    " and resid "60  " and name "HB2 ")
     (segid "    " and resid "60  " and name "HB1 ")
      2.700     2.700     0.000 peak  4924 weight  0.10000E+01 volume  0.91230E+01 ppm1      3.232 ppm2      2.832
 ASSI { 4969}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HB1 ")
      3.300     3.300     0.000 peak  4969 weight  0.10000E+01 volume  0.19450E+01 ppm1      3.702 ppm2      0.970
 ASSI { 4972}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HB2 ")
      3.300     3.300     0.000 peak  4972 weight  0.10000E+01 volume  0.16660E+01 ppm1      3.701 ppm2      1.321
 ASSI { 4968}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD21")
      3.300     3.300     0.000 peak  4968 weight  0.10000E+01 volume  0.27910E+01 ppm1      3.701 ppm2     -0.085
 OR { 4968}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD22")
 OR { 4968}
     (segid "    " and resid "61  " and name "HA  ")
     (segid "    " and resid "61  " and name "HD23")
 ASSI { 5029}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "61  " and name "HD22")
      2.700     2.700     0.000 peak  5029 weight  0.10000E+01 volume  0.30270E+01 ppm1      0.550 ppm2     -0.091
 OR { 5029}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "61  " and name "HD23")
 OR { 5029}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "61  " and name "HD22")
 OR { 5029}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "61  " and name "HD23")
 OR { 5029}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "61  " and name "HD23")
 OR { 5029}
     (segid "    " and resid "61  " and name "HD13")
     (segid "    " and resid "61  " and name "HD21")
 OR { 5029}
     (segid "    " and resid "61  " and name "HD11")
     (segid "    " and resid "61  " and name "HD21")
 OR { 5029}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "61  " and name "HD21")
 OR { 5029}
     (segid "    " and resid "61  " and name "HD12")
     (segid "    " and resid "61  " and name "HD22")
 ASSI { 5119}
     (segid "    " and resid "63  " and name "HB1 ")
     (segid "    " and resid "63  " and name "HA  ")
      3.300     3.300     0.000 peak  5119 weight  0.10000E+01 volume  0.19420E+01 ppm1      1.953 ppm2      4.033
 ASSI { 5129}
     (segid "    " and resid "63  " and name "HB2 ")
     (segid "    " and resid "63  " and name "HA  ")
      3.300     3.300     0.000 peak  5129 weight  0.10000E+01 volume  0.17170E+01 ppm1      1.838 ppm2      4.033
 ASSI { 5134}
     (segid "    " and resid "63  " and name "HB2 ")
     (segid "    " and resid "63  " and name "HE1 ")
      6.000     6.000     0.000 peak  5134 weight  0.10000E+01 volume  0.18100E+00 ppm1      1.830 ppm2      3.017
 OR { 5134}
     (segid "    " and resid "63  " and name "HB2 ")
     (segid "    " and resid "63  " and name "HE2 ")
 ASSI { 2801}
     (segid "    " and resid "63  " and name "HD2 ")
     (segid "    " and resid "63  " and name "HE1 ")
      5.000     5.000     0.000 peak  2801 weight  0.10000E+01 volume  0.86200E+00 ppm1      1.734 ppm2      3.018
 OR { 2801}
     (segid "    " and resid "63  " and name "HD1 ")
     (segid "    " and resid "63  " and name "HE2 ")
 OR { 2801}
     (segid "    " and resid "63  " and name "HD1 ")
     (segid "    " and resid "63  " and name "HE1 ")
 OR { 2801}
     (segid "    " and resid "63  " and name "HD2 ")
     (segid "    " and resid "63  " and name "HE2 ")
 ASSI { 5151}
     (segid "    " and resid "63  " and name "HE1 ")
     (segid "    " and resid "63  " and name "HB1 ")
      5.000     5.000     0.000 peak  5151 weight  0.10000E+01 volume  0.32800E+00 ppm1      3.016 ppm2      1.963
 OR { 5151}
     (segid "    " and resid "63  " and name "HE2 ")
     (segid "    " and resid "63  " and name "HB1 ")
 ASSI { 2819}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "64  " and name "HG1 ")
      2.700     2.700     0.000 peak  2819 weight  0.10000E+01 volume  0.34180E+01 ppm1      3.315 ppm2      2.180
 OR { 2819}
     (segid "    " and resid "64  " and name "HA  ")
     (segid "    " and resid "64  " and name "HG2 ")
 ASSI { 5233}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "66  " and name "HG22")
      3.300     3.300     0.000 peak  5233 weight  0.10000E+01 volume  0.26470E+01 ppm1      5.243 ppm2      0.903
 OR { 5233}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "66  " and name "HG23")
 OR { 5233}
     (segid "    " and resid "66  " and name "HA  ")
     (segid "    " and resid "66  " and name "HG21")
 ASSI { 5247}
     (segid "    " and resid "66  " and name "HB  ")
     (segid "    " and resid "66  " and name "HG21")
      2.700     2.700     0.000 peak  5247 weight  0.10000E+01 volume  0.52310E+01 ppm1      4.081 ppm2      0.903
 OR { 5247}
     (segid "    " and resid "66  " and name "HB  ")
     (segid "    " and resid "66  " and name "HG22")
 OR { 5247}
     (segid "    " and resid "66  " and name "HB  ")
     (segid "    " and resid "66  " and name "HG23")
 ASSI { 5291}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "67  " and name "HA  ")
      5.000     5.000     0.000 peak  5291 weight  0.10000E+01 volume  0.44700E+00 ppm1      1.735 ppm2      4.623
 ASSI { 5286}
     (segid "    " and resid "67  " and name "HB  ")
     (segid "    " and resid "67  " and name "HG11")
      3.300     3.300     0.000 peak  5286 weight  0.10000E+01 volume  0.16390E+01 ppm1      1.734 ppm2      1.437
 ASSI { 5360}
     (segid "    " and resid "67  " and name "HD11")
     (segid "    " and resid "67  " and name "HA  ")
      5.000     5.000     0.000 peak  5360 weight  0.10000E+01 volume  0.45600E+00 ppm1      0.654 ppm2      4.620
 OR { 5360}
     (segid "    " and resid "67  " and name "HD13")
     (segid "    " and resid "67  " and name "HA  ")
 OR { 5360}
     (segid "    " and resid "67  " and name "HD12")
     (segid "    " and resid "67  " and name "HA  ")
 ASSI { 5431}
     (segid "    " and resid "69  " and name "HA  ")
     (segid "    " and resid "69  " and name "HB2 ")
      3.300     3.300     0.000 peak  5431 weight  0.10000E+01 volume  0.16700E+01 ppm1      5.089 ppm2      1.094
 ASSI { 5484}
     (segid "    " and resid "69  " and name "HD23")
     (segid "    " and resid "69  " and name "HA  ")
      5.000     5.000     0.000 peak  5484 weight  0.10000E+01 volume  0.48000E+00 ppm1      0.748 ppm2      5.079
 OR { 5484}
     (segid "    " and resid "69  " and name "HD22")
     (segid "    " and resid "69  " and name "HA  ")
 OR { 5484}
     (segid "    " and resid "69  " and name "HD21")
     (segid "    " and resid "69  " and name "HA  ")
 ASSI { 8695}
     (segid "    " and resid "70  " and name "HG12")
     (segid "    " and resid "70  " and name "HA  ")
      3.300     3.300     0.000 peak  8695 weight  0.10000E+01 volume  0.19790E+01 ppm1      0.938 ppm2      4.413
 OR { 8695}
     (segid "    " and resid "70  " and name "HG11")
     (segid "    " and resid "70  " and name "HA  ")
 OR { 8695}
     (segid "    " and resid "70  " and name "HG13")
     (segid "    " and resid "70  " and name "HA  ")
 ASSI { 8732}
     (segid "    " and resid "71  " and name "HB1 ")
     (segid "    " and resid "71  " and name "HA  ")
      5.000     5.000     0.000 peak  8732 weight  0.10000E+01 volume  0.10950E+01 ppm1      1.639 ppm2      4.856
 ASSI { 8739}
     (segid "    " and resid "71  " and name "HB2 ")
     (segid "    " and resid "71  " and name "HA  ")
      5.000     5.000     0.000 peak  8739 weight  0.10000E+01 volume  0.11350E+01 ppm1      1.564 ppm2      4.852
 ASSI { 8756}
     (segid "    " and resid "71  " and name "HD11")
     (segid "    " and resid "71  " and name "HA  ")
      5.000     5.000     0.000 peak  8756 weight  0.10000E+01 volume  0.52600E+00 ppm1      0.969 ppm2      4.853
 OR { 8756}
     (segid "    " and resid "71  " and name "HD12")
     (segid "    " and resid "71  " and name "HA  ")
 OR { 8756}
     (segid "    " and resid "71  " and name "HD13")
     (segid "    " and resid "71  " and name "HA  ")
 ASSI { 8770}
     (segid "    " and resid "71  " and name "HD21")
     (segid "    " and resid "71  " and name "HA  ")
      3.300     3.300     0.000 peak  8770 weight  0.10000E+01 volume  0.15520E+01 ppm1      0.882 ppm2      4.858
 OR { 8770}
     (segid "    " and resid "71  " and name "HD22")
     (segid "    " and resid "71  " and name "HA  ")
 OR { 8770}
     (segid "    " and resid "71  " and name "HD23")
     (segid "    " and resid "71  " and name "HA  ")
 ASSI { 8779}
     (segid "    " and resid "72  " and name "HA  ")
     (segid "    " and resid "72  " and name "HB1 ")
      5.000     5.000     0.000 peak  8779 weight  0.10000E+01 volume  0.14600E+01 ppm1      4.228 ppm2      1.752
 ASSI { 8793}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "72  " and name "HD1 ")
      5.000     5.000     0.000 peak  8793 weight  0.10000E+01 volume  0.12290E+01 ppm1      1.748 ppm2      3.134
 OR { 8793}
     (segid "    " and resid "72  " and name "HB1 ")
     (segid "    " and resid "72  " and name "HD2 ")
 ASSI { 8843}
     (segid "    " and resid "73  " and name "HB1 ")
     (segid "    " and resid "73  " and name "HA  ")
      5.000     5.000     0.000 peak  8843 weight  0.10000E+01 volume  0.11610E+01 ppm1      1.633 ppm2      4.384
 ASSI { 8873}
     (segid "    " and resid "73  " and name "HD23")
     (segid "    " and resid "73  " and name "HA  ")
      3.300     3.300     0.000 peak  8873 weight  0.10000E+01 volume  0.18550E+01 ppm1      0.869 ppm2      4.386
 OR { 8873}
     (segid "    " and resid "73  " and name "HD21")
     (segid "    " and resid "73  " and name "HA  ")
 OR { 8873}
     (segid "    " and resid "73  " and name "HD22")
     (segid "    " and resid "73  " and name "HA  ")
 ASSI { 8858}
     (segid "    " and resid "73  " and name "HG  ")
     (segid "    " and resid "73  " and name "HA  ")
      5.000     5.000     0.000 peak  8858 weight  0.10000E+01 volume  0.63100E+00 ppm1      1.618 ppm2      4.385
 ASSI { 4094}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "74  " and name "HD1 ")
      6.000     6.000     0.000 peak  4094 weight  0.10000E+01 volume  0.18200E+00 ppm1      1.861 ppm2      3.202
 OR { 4094}
     (segid "    " and resid "74  " and name "HB1 ")
     (segid "    " and resid "74  " and name "HD2 ")
 ASSI { 8900}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "74  " and name "HD1 ")
      6.000     6.000     0.000 peak  8900 weight  0.10000E+01 volume  0.21600E+00 ppm1      1.785 ppm2      3.201
 OR { 8900}
     (segid "    " and resid "74  " and name "HB2 ")
     (segid "    " and resid "74  " and name "HD2 ")
 ASSI { 8917}
     (segid "    " and resid "74  " and name "HD2 ")
     (segid "    " and resid "74  " and name "HA  ")
      5.000     5.000     0.000 peak  8917 weight  0.10000E+01 volume  0.30400E+00 ppm1      3.199 ppm2      4.294
 OR { 8917}
     (segid "    " and resid "74  " and name "HD1 ")
     (segid "    " and resid "74  " and name "HA  ")


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1H        MET   1   3.714 -20.080  -0.578
    2   2H    MET   1          2H        MET   1   2.482 -20.666  -1.619
    3   3H    MET   1          3H        MET   1   2.444 -19.040  -1.072
    4    HA   MET   1           HA       MET   1   4.598 -20.180  -2.715
    5   1HB   MET   1          1HB       MET   1   3.509 -19.161  -4.619
    6   2HB   MET   1          2HB       MET   1   2.377 -20.254  -3.835
    7   1HG   MET   1          1HG       MET   1   1.032 -18.562  -3.099
    8   2HG   MET   1          2HG       MET   1   2.345 -17.387  -3.061
    9   1HE   MET   1          1HE       MET   1  -0.121 -15.927  -4.393
   10   2HE   MET   1          2HE       MET   1  -0.724 -17.563  -4.130
   11   3HE   MET   1          3HE       MET   1  -0.822 -16.834  -5.733
   12    H    GLN   2           H        GLN   2   5.543 -18.256  -4.003
   13    HA   GLN   2           HA       GLN   2   6.066 -16.106  -2.075
   14   1HB   GLN   2          1HB       GLN   2   7.743 -17.659  -3.766
   15   2HB   GLN   2          2HB       GLN   2   7.823 -15.994  -4.325
   16   1HG   GLN   2          1HG       GLN   2   9.427 -15.809  -2.781
   17   2HG   GLN   2          2HG       GLN   2   8.073 -15.626  -1.666
   18   1HE2  GLN   2          1HE2      GLN   2   7.155 -18.222  -1.556
   19   2HE2  GLN   2          2HE2      GLN   2   8.346 -19.216  -0.796
   20    H    LEU   3           H        LEU   3   6.017 -13.932  -2.691
   21    HA   LEU   3           HA       LEU   3   4.898 -13.314  -5.328
   22   1HB   LEU   3          1HB       LEU   3   3.736 -12.503  -2.671
   23   2HB   LEU   3          2HB       LEU   3   3.368 -11.649  -4.157
   24    HG   LEU   3           HG       LEU   3   2.923 -14.603  -4.019
   25   1HD1  LEU   3          1HD1      LEU   3   1.129 -14.504  -2.689
   26   2HD1  LEU   3          2HD1      LEU   3   0.587 -12.974  -3.377
   27   3HD1  LEU   3          3HD1      LEU   3   1.817 -12.986  -2.114
   28   1HD2  LEU   3          1HD2      LEU   3   1.578 -12.334  -5.481
   29   2HD2  LEU   3          2HD2      LEU   3   1.126 -14.035  -5.599
   30   3HD2  LEU   3          3HD2      LEU   3   2.709 -13.501  -6.166
   31    H    PHE   4           H        PHE   4   5.865 -11.624  -6.260
   32    HA   PHE   4           HA       PHE   4   7.793 -10.096  -4.693
   33   1HB   PHE   4          1HB       PHE   4   7.321 -10.024  -7.678
   34   2HB   PHE   4          2HB       PHE   4   8.708  -9.376  -6.811
   35    HD1  PHE   4           HD1      PHE   4   8.406 -12.083  -4.967
   36    HD2  PHE   4           HD2      PHE   4   9.122 -11.150  -9.066
   37    HE1  PHE   4           HE1      PHE   4   9.583 -14.231  -5.247
   38    HE2  PHE   4           HE2      PHE   4  10.299 -13.297  -9.354
   39    HZ   PHE   4           HZ       PHE   4  10.529 -14.841  -7.442
   40    H    VAL   5           H        VAL   5   7.698  -7.921  -4.358
   41    HA   VAL   5           HA       VAL   5   5.438  -6.442  -5.512
   42    HB   VAL   5           HB       VAL   5   6.200  -6.075  -2.627
   43   1HG1  VAL   5          1HG1      VAL   5   4.601  -4.630  -4.340
   44   2HG1  VAL   5          2HG1      VAL   5   4.556  -4.567  -2.577
   45   3HG1  VAL   5          3HG1      VAL   5   3.447  -5.624  -3.450
   46   1HG2  VAL   5          1HG2      VAL   5   4.701  -7.666  -1.884
   47   2HG2  VAL   5          2HG2      VAL   5   5.408  -8.468  -3.287
   48   3HG2  VAL   5          3HG2      VAL   5   3.824  -7.706  -3.414
   49    H    LYS   6           H        LYS   6   5.796  -4.270  -5.879
   50    HA   LYS   6           HA       LYS   6   8.463  -3.234  -5.193
   51   1HB   LYS   6          1HB       LYS   6   8.611  -2.189  -7.410
   52   2HB   LYS   6          2HB       LYS   6   8.508  -3.940  -7.527
   53   1HG   LYS   6          1HG       LYS   6   5.901  -3.304  -7.719
   54   2HG   LYS   6          2HG       LYS   6   6.630  -1.866  -8.436
   55   1HD   LYS   6          1HD       LYS   6   7.365  -4.664  -9.268
   56   2HD   LYS   6          2HD       LYS   6   6.074  -3.740 -10.039
   57   1HE   LYS   6          1HE       LYS   6   7.570  -2.121 -10.848
   58   2HE   LYS   6          2HE       LYS   6   8.857  -2.648  -9.766
   59   1HZ   LYS   6          1HZ       LYS   6   8.058  -4.792 -11.418
   60   2HZ   LYS   6          2HZ       LYS   6   9.574  -4.049 -11.304
   61   3HZ   LYS   6          3HZ       LYS   6   8.418  -3.448 -12.382
   62    H    THR   7           H        THR   7   8.625  -0.941  -5.043
   63    HA   THR   7           HA       THR   7   6.029   0.386  -4.612
   64    HB   THR   7           HB       THR   7   6.979   1.627  -2.810
   65    HG1  THR   7           HG1      THR   7   9.452   0.520  -3.629
   66   1HG2  THR   7          1HG2      THR   7   6.360  -0.528  -2.031
   67   2HG2  THR   7          2HG2      THR   7   7.901  -0.109  -1.284
   68   3HG2  THR   7          3HG2      THR   7   7.856  -1.240  -2.636
   69    H    LEU   8           H        LEU   8   7.266   2.949  -4.130
   70    HA   LEU   8           HA       LEU   8   7.616   3.757  -6.896
   71   1HB   LEU   8          1HB       LEU   8   7.527   5.431  -4.384
   72   2HB   LEU   8          2HB       LEU   8   7.480   6.039  -6.027
   73    HG   LEU   8           HG       LEU   8   5.372   4.092  -5.303
   74   1HD1  LEU   8          1HD1      LEU   8   4.770   6.849  -4.476
   75   2HD1  LEU   8          2HD1      LEU   8   5.863   5.959  -3.415
   76   3HD1  LEU   8          3HD1      LEU   8   4.262   5.312  -3.774
   77   1HD2  LEU   8          1HD2      LEU   8   5.856   6.236  -7.197
   78   2HD2  LEU   8          2HD2      LEU   8   4.268   6.351  -6.439
   79   3HD2  LEU   8          3HD2      LEU   8   4.736   4.877  -7.287
   80    H    THR   9           H        THR   9   9.686   2.351  -5.051
   81    HA   THR   9           HA       THR   9  11.901   4.211  -5.619
   82    HB   THR   9           HB       THR   9  13.004   3.563  -3.681
   83    HG1  THR   9           HG1      THR   9  12.209   1.631  -2.505
   84   1HG2  THR   9          1HG2      THR   9  10.099   3.301  -2.952
   85   2HG2  THR   9          2HG2      THR   9  11.049   4.787  -2.980
   86   3HG2  THR   9          3HG2      THR   9  11.424   3.522  -1.809
   87    H    GLY  10           H        GLY  10  10.483   1.305  -6.469
   88   1HA   GLY  10          1HA       GLY  10  11.185  -0.163  -8.132
   89   2HA   GLY  10          2HA       GLY  10  12.774   0.583  -8.083
   90    H    LYS  11           H        LYS  11  11.658  -0.245  -5.006
   91    HA   LYS  11           HA       LYS  11  13.631  -2.340  -4.791
   92   1HB   LYS  11          1HB       LYS  11  13.133  -0.568  -3.024
   93   2HB   LYS  11          2HB       LYS  11  11.678  -1.485  -2.659
   94   1HG   LYS  11          1HG       LYS  11  13.424  -3.468  -2.472
   95   2HG   LYS  11          2HG       LYS  11  14.519  -2.130  -2.117
   96   1HD   LYS  11          1HD       LYS  11  12.240  -1.597  -0.612
   97   2HD   LYS  11          2HD       LYS  11  12.481  -3.339  -0.458
   98   1HE   LYS  11          1HE       LYS  11  14.617  -1.266   0.019
   99   2HE   LYS  11          2HE       LYS  11  13.643  -2.005   1.289
  100   1HZ   LYS  11          1HZ       LYS  11  15.544  -3.286   1.277
  101   2HZ   LYS  11          2HZ       LYS  11  15.716  -3.235  -0.405
  102   3HZ   LYS  11          3HZ       LYS  11  14.512  -4.197   0.291
  103    H    THR  12           H        THR  12  13.277  -4.454  -4.957
  104    HA   THR  12           HA       THR  12  10.527  -5.392  -5.254
  105    HB   THR  12           HB       THR  12  12.939  -7.134  -5.617
  106    HG1  THR  12           HG1      THR  12  12.020  -5.136  -7.398
  107   1HG2  THR  12          1HG2      THR  12  10.872  -8.262  -5.924
  108   2HG2  THR  12          2HG2      THR  12  11.583  -7.998  -7.516
  109   3HG2  THR  12          3HG2      THR  12  10.257  -6.975  -6.962
  110    H    LEU  13           H        LEU  13   9.499  -6.559  -3.763
  111    HA   LEU  13           HA       LEU  13  11.053  -7.523  -1.455
  112   1HB   LEU  13          1HB       LEU  13   8.664  -5.955  -1.645
  113   2HB   LEU  13          2HB       LEU  13   8.292  -7.467  -0.839
  114    HG   LEU  13           HG       LEU  13  10.632  -6.625   0.395
  115   1HD1  LEU  13          1HD1      LEU  13   9.200  -4.333  -0.685
  116   2HD1  LEU  13          2HD1      LEU  13  10.813  -4.434   0.020
  117   3HD1  LEU  13          3HD1      LEU  13   9.403  -4.260   1.064
  118   1HD2  LEU  13          1HD2      LEU  13   7.731  -6.439   1.155
  119   2HD2  LEU  13          2HD2      LEU  13   9.036  -6.037   2.272
  120   3HD2  LEU  13          3HD2      LEU  13   8.910  -7.669   1.615
  121    H    THR  14           H        THR  14  10.288  -9.494  -0.416
  122    HA   THR  14           HA       THR  14   8.807 -11.285  -2.216
  123    HB   THR  14           HB       THR  14  11.308 -12.059  -0.705
  124    HG1  THR  14           HG1      THR  14  10.881 -11.284  -3.376
  125   1HG2  THR  14          1HG2      THR  14  10.963 -14.168  -1.285
  126   2HG2  THR  14          2HG2      THR  14  10.543 -13.723  -2.938
  127   3HG2  THR  14          3HG2      THR  14   9.311 -13.695  -1.676
  128    H    VAL  15           H        VAL  15   7.039 -11.911  -1.177
  129    HA   VAL  15           HA       VAL  15   7.245 -12.525   1.699
  130    HB   VAL  15           HB       VAL  15   5.005 -11.761   2.058
  131   1HG1  VAL  15          1HG1      VAL  15   5.320  -9.343   0.895
  132   2HG1  VAL  15          2HG1      VAL  15   6.966  -9.967   0.797
  133   3HG1  VAL  15          3HG1      VAL  15   6.159  -9.851   2.361
  134   1HG2  VAL  15          1HG2      VAL  15   4.877 -11.840  -0.888
  135   2HG2  VAL  15          2HG2      VAL  15   4.016 -10.511  -0.110
  136   3HG2  VAL  15          3HG2      VAL  15   3.631 -12.179   0.315
  137    H    GLU  16           H        GLU  16   5.768 -14.169   2.480
  138    HA   GLU  16           HA       GLU  16   5.143 -16.154   0.397
  139   1HB   GLU  16          1HB       GLU  16   6.444 -16.344   2.991
  140   2HB   GLU  16          2HB       GLU  16   5.100 -17.468   2.851
  141   1HG   GLU  16          1HG       GLU  16   6.948 -17.353   0.557
  142   2HG   GLU  16          2HG       GLU  16   7.590 -18.028   2.055
  143    H    LEU  17           H        LEU  17   3.045 -16.054  -0.095
  144    HA   LEU  17           HA       LEU  17   1.109 -16.216   2.098
  145   1HB   LEU  17          1HB       LEU  17   1.490 -13.934   0.472
  146   2HB   LEU  17          2HB       LEU  17  -0.013 -14.676  -0.041
  147    HG   LEU  17           HG       LEU  17  -0.858 -14.572   2.264
  148   1HD1  LEU  17          1HD1      LEU  17   0.993 -14.739   3.655
  149   2HD1  LEU  17          2HD1      LEU  17   0.515 -13.050   3.826
  150   3HD1  LEU  17          3HD1      LEU  17   1.879 -13.481   2.795
  151   1HD2  LEU  17          1HD2      LEU  17   0.198 -11.895   1.377
  152   2HD2  LEU  17          2HD2      LEU  17  -1.235 -12.211   2.355
  153   3HD2  LEU  17          3HD2      LEU  17  -1.198 -12.698   0.661
  154    H    GLU  18           H        GLU  18  -0.782 -17.339   1.620
  155    HA   GLU  18           HA       GLU  18  -0.570 -19.103  -0.691
  156   1HB   GLU  18          1HB       GLU  18  -2.521 -19.179   1.618
  157   2HB   GLU  18          2HB       GLU  18  -2.302 -20.431   0.404
  158   1HG   GLU  18          1HG       GLU  18   0.073 -19.613   1.976
  159   2HG   GLU  18          2HG       GLU  18  -1.174 -20.553   2.795
  160    HA   PRO  19           HA       PRO  19  -3.700 -17.241  -3.150
  161   1HB   PRO  19          1HB       PRO  19  -5.127 -19.429  -3.992
  162   2HB   PRO  19          2HB       PRO  19  -3.566 -18.946  -4.666
  163   1HG   PRO  19          1HG       PRO  19  -4.183 -21.033  -2.610
  164   2HG   PRO  19          2HG       PRO  19  -3.046 -21.102  -3.970
  165   1HD   PRO  19          1HD       PRO  19  -2.217 -20.652  -1.451
  166   2HD   PRO  19          2HD       PRO  19  -1.433 -19.880  -2.845
  167    H    SER  20           H        SER  20  -4.499 -19.115  -0.400
  168    HA   SER  20           HA       SER  20  -7.341 -18.566  -0.518
  169   1HB   SER  20          1HB       SER  20  -7.395 -19.707   1.694
  170   2HB   SER  20          2HB       SER  20  -6.633 -20.685   0.440
  171    HG   SER  20           HG       SER  20  -5.222 -20.819   2.067
  172    H    ASP  21           H        ASP  21  -4.479 -17.260   0.974
  173    HA   ASP  21           HA       ASP  21  -5.599 -15.767   3.040
  174   1HB   ASP  21          1HB       ASP  21  -3.156 -15.363   1.330
  175   2HB   ASP  21          2HB       ASP  21  -3.596 -14.199   2.576
  176    H    THR  22           H        THR  22  -6.000 -13.451   3.156
  177    HA   THR  22           HA       THR  22  -7.234 -12.459   0.675
  178    HB   THR  22           HB       THR  22  -8.879 -11.396   1.933
  179    HG1  THR  22           HG1      THR  22  -7.758 -10.271   3.426
  180   1HG2  THR  22          1HG2      THR  22  -8.159 -14.024   3.065
  181   2HG2  THR  22          2HG2      THR  22  -9.653 -13.481   2.303
  182   3HG2  THR  22          3HG2      THR  22  -9.307 -13.043   3.976
  183    H    VAL  23           H        VAL  23  -7.205 -10.130   0.325
  184    HA   VAL  23           HA       VAL  23  -4.727  -9.015   0.181
  185    HB   VAL  23           HB       VAL  23  -7.329  -7.527   0.564
  186   1HG1  VAL  23          1HG1      VAL  23  -6.281  -5.574   0.220
  187   2HG1  VAL  23          2HG1      VAL  23  -5.187  -6.260  -0.981
  188   3HG1  VAL  23          3HG1      VAL  23  -4.836  -6.441   0.738
  189   1HG2  VAL  23          1HG2      VAL  23  -6.033  -8.862  -1.733
  190   2HG2  VAL  23          2HG2      VAL  23  -6.763  -7.289  -2.046
  191   3HG2  VAL  23          3HG2      VAL  23  -7.742  -8.599  -1.388
  192    H    GLU  24           H        GLU  24  -7.075  -8.537   2.809
  193    HA   GLU  24           HA       GLU  24  -5.770  -6.712   4.369
  194   1HB   GLU  24          1HB       GLU  24  -8.006  -7.931   4.779
  195   2HB   GLU  24          2HB       GLU  24  -7.038  -9.148   5.598
  196   1HG   GLU  24          1HG       GLU  24  -6.161  -6.785   6.708
  197   2HG   GLU  24          2HG       GLU  24  -7.893  -6.528   6.500
  198    H    ASN  25           H        ASN  25  -5.275 -10.232   4.390
  199    HA   ASN  25           HA       ASN  25  -3.297 -10.321   6.358
  200   1HB   ASN  25          1HB       ASN  25  -3.690 -12.118   3.956
  201   2HB   ASN  25          2HB       ASN  25  -2.640 -12.486   5.321
  202   1HD2  ASN  25          1HD2      ASN  25  -3.858 -12.158   7.503
  203   2HD2  ASN  25          2HD2      ASN  25  -5.399 -12.935   7.587
  204    H    LEU  26           H        LEU  26  -2.972 -10.096   2.819
  205    HA   LEU  26           HA       LEU  26  -0.229 -10.091   2.593
  206   1HB   LEU  26          1HB       LEU  26  -1.527 -10.097   0.612
  207   2HB   LEU  26          2HB       LEU  26  -2.335  -8.603   1.046
  208    HG   LEU  26           HG       LEU  26  -0.400  -7.303   0.561
  209   1HD1  LEU  26          1HD1      LEU  26   1.174  -9.048   1.541
  210   2HD1  LEU  26          2HD1      LEU  26   1.749  -8.137   0.146
  211   3HD1  LEU  26          3HD1      LEU  26   1.164  -9.789  -0.059
  212   1HD2  LEU  26          1HD2      LEU  26  -1.747  -8.066  -1.368
  213   2HD2  LEU  26          2HD2      LEU  26  -0.627  -9.413  -1.581
  214   3HD2  LEU  26          3HD2      LEU  26  -0.061  -7.754  -1.782
  215    H    LYS  27           H        LYS  27  -2.344  -7.282   3.147
  216    HA   LYS  27           HA       LYS  27  -0.396  -5.309   3.262
  217   1HB   LYS  27          1HB       LYS  27  -2.761  -5.280   5.113
  218   2HB   LYS  27          2HB       LYS  27  -2.004  -3.935   4.269
  219   1HG   LYS  27          1HG       LYS  27  -2.853  -5.522   2.206
  220   2HG   LYS  27          2HG       LYS  27  -4.128  -5.731   3.408
  221   1HD   LYS  27          1HD       LYS  27  -4.978  -3.795   2.713
  222   2HD   LYS  27          2HD       LYS  27  -3.569  -3.001   3.421
  223   1HE   LYS  27          1HE       LYS  27  -2.383  -3.133   1.333
  224   2HE   LYS  27          2HE       LYS  27  -3.676  -4.093   0.612
  225   1HZ   LYS  27          1HZ       LYS  27  -4.937  -1.846   1.494
  226   2HZ   LYS  27          2HZ       LYS  27  -4.479  -2.162  -0.103
  227   3HZ   LYS  27          3HZ       LYS  27  -3.467  -1.254   0.904
  228    H    ALA  28           H        ALA  28  -1.595  -7.456   5.805
  229    HA   ALA  28           HA       ALA  28  -0.264  -6.393   7.992
  230   1HB   ALA  28          1HB       ALA  28  -0.293  -9.323   7.923
  231   2HB   ALA  28          2HB       ALA  28  -1.850  -8.573   7.571
  232   3HB   ALA  28          3HB       ALA  28  -1.016  -8.207   9.082
  233    H    LYS  29           H        LYS  29   0.874  -8.696   5.556
  234    HA   LYS  29           HA       LYS  29   3.390  -9.222   6.691
  235   1HB   LYS  29          1HB       LYS  29   2.883  -9.141   3.723
  236   2HB   LYS  29          2HB       LYS  29   3.980 -10.185   4.614
  237   1HG   LYS  29          1HG       LYS  29   0.979 -10.325   4.527
  238   2HG   LYS  29          2HG       LYS  29   2.139 -11.508   3.919
  239   1HD   LYS  29          1HD       LYS  29   2.291 -10.798   6.795
  240   2HD   LYS  29          2HD       LYS  29   0.921 -11.781   6.271
  241   1HE   LYS  29          1HE       LYS  29   2.607 -13.303   6.914
  242   2HE   LYS  29          2HE       LYS  29   2.599 -13.299   5.151
  243   1HZ   LYS  29          1HZ       LYS  29   4.382 -11.332   6.133
  244   2HZ   LYS  29          2HZ       LYS  29   4.705 -12.658   5.133
  245   3HZ   LYS  29          3HZ       LYS  29   4.755 -12.836   6.814
  246    H    ILE  30           H        ILE  30   2.261  -6.702   4.497
  247    HA   ILE  30           HA       ILE  30   4.796  -5.558   3.961
  248    HB   ILE  30           HB       ILE  30   2.174  -4.067   3.970
  249   1HG1  ILE  30          1HG1      ILE  30   3.334  -5.908   1.870
  250   2HG1  ILE  30          2HG1      ILE  30   1.793  -6.081   2.706
  251   1HG2  ILE  30          1HG2      ILE  30   3.647  -2.438   3.461
  252   2HG2  ILE  30          2HG2      ILE  30   3.564  -3.156   1.852
  253   3HG2  ILE  30          3HG2      ILE  30   4.889  -3.577   2.938
  254   1HD1  ILE  30          1HD1      ILE  30   2.461  -4.562   0.333
  255   2HD1  ILE  30          2HD1      ILE  30   1.597  -3.603   1.534
  256   3HD1  ILE  30          3HD1      ILE  30   0.894  -5.104   0.931
  257    H    GLN  31           H        GLN  31   2.658  -5.410   6.653
  258    HA   GLN  31           HA       GLN  31   3.855  -2.999   7.747
  259   1HB   GLN  31          1HB       GLN  31   1.447  -3.404   8.040
  260   2HB   GLN  31          2HB       GLN  31   1.801  -4.884   8.918
  261   1HG   GLN  31          1HG       GLN  31   2.691  -3.711  10.748
  262   2HG   GLN  31          2HG       GLN  31   2.796  -2.208   9.834
  263   1HE2  GLN  31          1HE2      GLN  31   1.625  -1.177  11.504
  264   2HE2  GLN  31          2HE2      GLN  31  -0.090  -1.356  11.628
  265    H    ASP  32           H        ASP  32   4.030  -6.466   8.130
  266    HA   ASP  32           HA       ASP  32   5.586  -6.327  10.548
  267   1HB   ASP  32          1HB       ASP  32   5.109  -8.520  10.743
  268   2HB   ASP  32          2HB       ASP  32   3.966  -8.233   9.444
  269    H    LYS  33           H        LYS  33   6.222  -5.958   7.270
  270    HA   LYS  33           HA       LYS  33   9.052  -6.695   7.639
  271   1HB   LYS  33          1HB       LYS  33   7.229  -6.826   5.279
  272   2HB   LYS  33          2HB       LYS  33   8.939  -6.529   5.001
  273   1HG   LYS  33          1HG       LYS  33   9.460  -8.591   6.264
  274   2HG   LYS  33          2HG       LYS  33   7.728  -8.902   6.402
  275   1HD   LYS  33          1HD       LYS  33   7.605  -8.848   3.902
  276   2HD   LYS  33          2HD       LYS  33   9.368  -8.763   3.876
  277   1HE   LYS  33          1HE       LYS  33   8.424 -10.901   5.582
  278   2HE   LYS  33          2HE       LYS  33   7.809 -11.063   3.937
  279   1HZ   LYS  33          1HZ       LYS  33  10.418 -10.428   3.569
  280   2HZ   LYS  33          2HZ       LYS  33   9.772 -11.990   3.502
  281   3HZ   LYS  33          3HZ       LYS  33  10.476 -11.427   4.934
  282    H    GLU  34           H        GLU  34   7.132  -4.462   5.618
  283    HA   GLU  34           HA       GLU  34   9.301  -2.526   5.712
  284   1HB   GLU  34          1HB       GLU  34   6.698  -2.632   4.191
  285   2HB   GLU  34          2HB       GLU  34   7.767  -1.236   4.149
  286   1HG   GLU  34          1HG       GLU  34   8.096  -3.921   2.942
  287   2HG   GLU  34          2HG       GLU  34   8.480  -2.328   2.291
  288    H    GLY  35           H        GLY  35   6.289  -3.131   7.250
  289   1HA   GLY  35          1HA       GLY  35   5.302  -2.042   9.029
  290   2HA   GLY  35          2HA       GLY  35   6.657  -0.925   9.033
  291    H    ILE  36           H        ILE  36   4.326  -1.633   6.453
  292    HA   ILE  36           HA       ILE  36   3.586   1.220   6.490
  293    HB   ILE  36           HB       ILE  36   3.427  -0.711   4.173
  294   1HG1  ILE  36          1HG1      ILE  36   5.251   1.660   4.267
  295   2HG1  ILE  36          2HG1      ILE  36   5.732   0.181   5.094
  296   1HG2  ILE  36          1HG2      ILE  36   1.719   0.960   3.992
  297   2HG2  ILE  36          2HG2      ILE  36   3.006   1.357   2.855
  298   3HG2  ILE  36          3HG2      ILE  36   2.867   2.243   4.375
  299   1HD1  ILE  36          1HD1      ILE  36   5.411  -1.034   2.945
  300   2HD1  ILE  36          2HD1      ILE  36   6.703   0.166   2.929
  301   3HD1  ILE  36          3HD1      ILE  36   5.154   0.528   2.168
  302    HA   PRO  37           HA       PRO  37  -0.469   0.059   7.843
  303   1HB   PRO  37          1HB       PRO  37  -1.275   2.507   6.365
  304   2HB   PRO  37          2HB       PRO  37  -1.559   2.066   8.051
  305   1HG   PRO  37          1HG       PRO  37   0.253   3.913   7.414
  306   2HG   PRO  37          2HG       PRO  37   0.550   2.756   8.726
  307   1HD   PRO  37          1HD       PRO  37   1.632   2.781   5.937
  308   2HD   PRO  37          2HD       PRO  37   2.441   2.346   7.457
  309    HA   PRO  38           HA       PRO  38  -2.274  -2.089   4.434
  310   1HB   PRO  38          1HB       PRO  38  -4.861  -1.570   5.794
  311   2HB   PRO  38          2HB       PRO  38  -4.129  -3.105   5.314
  312   1HG   PRO  38          1HG       PRO  38  -4.194  -2.358   7.875
  313   2HG   PRO  38          2HG       PRO  38  -2.789  -3.207   7.203
  314   1HD   PRO  38          1HD       PRO  38  -3.132  -0.302   7.830
  315   2HD   PRO  38          2HD       PRO  38  -1.708  -1.343   8.043
  316    H    ASP  39           H        ASP  39  -4.212   0.675   5.596
  317    HA   ASP  39           HA       ASP  39  -5.406   1.154   3.056
  318   1HB   ASP  39          1HB       ASP  39  -5.848   2.011   5.673
  319   2HB   ASP  39          2HB       ASP  39  -5.383   3.472   4.807
  320    H    GLN  40           H        GLN  40  -2.301   1.623   4.056
  321    HA   GLN  40           HA       GLN  40  -1.926   4.044   2.436
  322   1HB   GLN  40          1HB       GLN  40  -0.308   2.758   4.611
  323   2HB   GLN  40          2HB       GLN  40   0.453   3.863   3.475
  324   1HG   GLN  40          1HG       GLN  40  -1.858   5.168   4.333
  325   2HG   GLN  40          2HG       GLN  40  -1.167   4.429   5.778
  326   1HE2  GLN  40          1HE2      GLN  40  -0.114   5.959   6.828
  327   2HE2  GLN  40          2HE2      GLN  40   1.014   7.071   6.139
  328    H    GLN  41           H        GLN  41  -2.139   0.974   1.770
  329    HA   GLN  41           HA       GLN  41   0.148   0.994  -0.086
  330   1HB   GLN  41          1HB       GLN  41  -0.827  -1.675   0.479
  331   2HB   GLN  41          2HB       GLN  41   0.810  -1.039   0.570
  332   1HG   GLN  41          1HG       GLN  41   0.594  -0.448   2.802
  333   2HG   GLN  41          2HG       GLN  41  -1.168  -0.463   2.737
  334   1HE2  GLN  41          1HE2      GLN  41   0.044  -1.746   4.766
  335   2HE2  GLN  41          2HE2      GLN  41  -0.085  -3.458   4.573
  336    H    ARG  42           H        ARG  42  -0.456   1.070  -2.136
  337    HA   ARG  42           HA       ARG  42  -3.152   0.132  -2.849
  338   1HB   ARG  42          1HB       ARG  42  -2.083   2.584  -3.286
  339   2HB   ARG  42          2HB       ARG  42  -1.634   1.776  -4.782
  340   1HG   ARG  42          1HG       ARG  42  -3.845   1.437  -5.411
  341   2HG   ARG  42          2HG       ARG  42  -4.448   1.673  -3.769
  342   1HD   ARG  42          1HD       ARG  42  -4.779   3.827  -4.179
  343   2HD   ARG  42          2HD       ARG  42  -3.071   4.030  -4.570
  344    HE   ARG  42           HE       ARG  42  -4.163   2.958  -6.829
  345   1HH1  ARG  42          1HH1      ARG  42  -5.423   6.705  -6.195
  346   2HH1  ARG  42          2HH1      ARG  42  -4.825   5.761  -4.871
  347   1HH2  ARG  42          1HH2      ARG  42  -4.947   4.191  -8.578
  348   2HH2  ARG  42          2HH2      ARG  42  -5.492   5.812  -8.303
  349    H    LEU  43           H        LEU  43  -2.938  -1.954  -3.439
  350    HA   LEU  43           HA       LEU  43  -0.695  -2.791  -5.092
  351   1HB   LEU  43          1HB       LEU  43  -2.996  -4.515  -4.212
  352   2HB   LEU  43          2HB       LEU  43  -1.381  -5.015  -4.677
  353    HG   LEU  43           HG       LEU  43  -2.349  -3.915  -2.085
  354   1HD1  LEU  43          1HD1      LEU  43  -1.679  -6.382  -2.852
  355   2HD1  LEU  43          2HD1      LEU  43  -1.434  -5.790  -1.208
  356   3HD1  LEU  43          3HD1      LEU  43  -0.089  -5.804  -2.348
  357   1HD2  LEU  43          1HD2      LEU  43   0.269  -3.672  -1.680
  358   2HD2  LEU  43          2HD2      LEU  43  -0.734  -2.324  -2.214
  359   3HD2  LEU  43          3HD2      LEU  43   0.223  -3.230  -3.386
  360    H    ILE  44           H        ILE  44  -0.907  -2.185  -7.165
  361    HA   ILE  44           HA       ILE  44  -3.489  -2.643  -8.499
  362    HB   ILE  44           HB       ILE  44  -1.170  -0.941  -9.423
  363   1HG1  ILE  44          1HG1      ILE  44  -3.845  -0.136  -8.257
  364   2HG1  ILE  44          2HG1      ILE  44  -2.291  -0.015  -7.436
  365   1HG2  ILE  44          1HG2      ILE  44  -3.342  -2.040 -10.847
  366   2HG2  ILE  44          2HG2      ILE  44  -2.157  -0.861 -11.407
  367   3HG2  ILE  44          3HG2      ILE  44  -3.661  -0.315 -10.665
  368   1HD1  ILE  44          1HD1      ILE  44  -1.682   1.424  -9.557
  369   2HD1  ILE  44          2HD1      ILE  44  -2.514   2.120  -8.167
  370   3HD1  ILE  44          3HD1      ILE  44  -3.429   1.654  -9.600
  371    H    PHE  45           H        PHE  45  -3.097  -4.906  -8.741
  372    HA   PHE  45           HA       PHE  45  -0.824  -5.787 -10.291
  373   1HB   PHE  45          1HB       PHE  45  -1.813  -7.153  -8.448
  374   2HB   PHE  45          2HB       PHE  45  -3.258  -7.364  -9.432
  375    HD1  PHE  45           HD1      PHE  45   0.337  -7.471 -10.402
  376    HD2  PHE  45           HD2      PHE  45  -3.328  -9.610  -9.979
  377    HE1  PHE  45           HE1      PHE  45   1.363  -9.435 -11.482
  378    HE2  PHE  45           HE2      PHE  45  -2.309 -11.578 -11.058
  379    HZ   PHE  45           HZ       PHE  45   0.040 -11.491 -11.811
  380    H    ALA  46           H        ALA  46  -0.742  -5.785 -12.431
  381    HA   ALA  46           HA       ALA  46  -1.339  -5.837 -14.626
  382   1HB   ALA  46          1HB       ALA  46  -2.878  -7.384 -15.266
  383   2HB   ALA  46          2HB       ALA  46  -4.059  -6.873 -14.060
  384   3HB   ALA  46          3HB       ALA  46  -2.687  -7.873 -13.582
  385    H    GLY  47           H        GLY  47  -2.428  -3.749 -12.535
  386   1HA   GLY  47          1HA       GLY  47  -3.078  -1.554 -13.309
  387   2HA   GLY  47          2HA       GLY  47  -4.072  -2.333 -14.530
  388    H    LYS  48           H        LYS  48  -4.867  -4.288 -12.279
  389    HA   LYS  48           HA       LYS  48  -7.120  -2.675 -11.367
  390   1HB   LYS  48          1HB       LYS  48  -6.768  -5.615 -10.855
  391   2HB   LYS  48          2HB       LYS  48  -8.259  -4.690 -10.952
  392   1HG   LYS  48          1HG       LYS  48  -8.457  -5.149 -13.106
  393   2HG   LYS  48          2HG       LYS  48  -6.852  -4.493 -13.435
  394   1HD   LYS  48          1HD       LYS  48  -6.442  -6.627 -14.074
  395   2HD   LYS  48          2HD       LYS  48  -6.153  -6.842 -12.346
  396   1HE   LYS  48          1HE       LYS  48  -8.744  -7.301 -12.311
  397   2HE   LYS  48          2HE       LYS  48  -8.475  -7.689 -14.011
  398   1HZ   LYS  48          1HZ       LYS  48  -7.020  -9.416 -13.449
  399   2HZ   LYS  48          2HZ       LYS  48  -8.303  -9.580 -12.360
  400   3HZ   LYS  48          3HZ       LYS  48  -6.846  -8.888 -11.850
  401    H    GLN  49           H        GLN  49  -7.535  -2.186  -9.270
  402    HA   GLN  49           HA       GLN  49  -5.358  -2.583  -7.384
  403   1HB   GLN  49          1HB       GLN  49  -6.429  -0.350  -7.703
  404   2HB   GLN  49          2HB       GLN  49  -7.915  -1.011  -7.034
  405   1HG   GLN  49          1HG       GLN  49  -6.578  -1.574  -4.966
  406   2HG   GLN  49          2HG       GLN  49  -5.286  -0.587  -5.648
  407   1HE2  GLN  49          1HE2      GLN  49  -8.038  -0.595  -3.755
  408   2HE2  GLN  49          2HE2      GLN  49  -8.319   1.109  -3.687
  409    H    LEU  50           H        LEU  50  -5.370  -4.031  -5.791
  410    HA   LEU  50           HA       LEU  50  -7.482  -5.917  -5.540
  411   1HB   LEU  50          1HB       LEU  50  -5.222  -5.477  -3.595
  412   2HB   LEU  50          2HB       LEU  50  -6.153  -6.944  -3.833
  413    HG   LEU  50           HG       LEU  50  -4.518  -5.830  -6.082
  414   1HD1  LEU  50          1HD1      LEU  50  -2.553  -6.418  -5.208
  415   2HD1  LEU  50          2HD1      LEU  50  -3.201  -7.919  -4.548
  416   3HD1  LEU  50          3HD1      LEU  50  -3.375  -6.413  -3.648
  417   1HD2  LEU  50          1HD2      LEU  50  -5.527  -8.554  -5.295
  418   2HD2  LEU  50          2HD2      LEU  50  -4.370  -8.283  -6.600
  419   3HD2  LEU  50          3HD2      LEU  50  -5.989  -7.590  -6.698
  420    H    GLU  51           H        GLU  51  -9.063  -6.125  -4.025
  421    HA   GLU  51           HA       GLU  51  -9.548  -3.782  -2.341
  422   1HB   GLU  51          1HB       GLU  51 -11.287  -5.951  -3.458
  423   2HB   GLU  51          2HB       GLU  51 -11.822  -5.048  -2.048
  424   1HG   GLU  51          1HG       GLU  51 -12.618  -4.227  -4.303
  425   2HG   GLU  51          2HG       GLU  51 -11.900  -3.028  -3.228
  426    H    ASP  52           H        ASP  52  -9.412  -3.839  -0.184
  427    HA   ASP  52           HA       ASP  52  -8.212  -5.986   1.159
  428   1HB   ASP  52          1HB       ASP  52  -9.041  -3.332   1.785
  429   2HB   ASP  52          2HB       ASP  52  -9.659  -4.406   3.037
  430    H    GLY  53           H        GLY  53  -9.177  -7.931   1.227
  431   1HA   GLY  53          1HA       GLY  53 -10.835  -8.978   2.882
  432   2HA   GLY  53          2HA       GLY  53 -12.022  -8.042   1.987
  433    H    ARG  54           H        ARG  54  -9.970  -8.767  -0.350
  434    HA   ARG  54           HA       ARG  54 -11.460 -11.177  -1.101
  435   1HB   ARG  54          1HB       ARG  54  -9.765  -9.330  -2.792
  436   2HB   ARG  54          2HB       ARG  54 -10.694 -10.697  -3.389
  437   1HG   ARG  54          1HG       ARG  54 -11.758  -8.165  -2.166
  438   2HG   ARG  54          2HG       ARG  54 -11.917  -8.701  -3.840
  439   1HD   ARG  54          1HD       ARG  54 -12.935 -10.799  -2.321
  440   2HD   ARG  54          2HD       ARG  54 -13.539  -9.341  -1.534
  441    HE   ARG  54           HE       ARG  54 -14.338 -10.382  -4.074
  442   1HH1  ARG  54          1HH1      ARG  54 -15.164  -6.587  -3.103
  443   2HH1  ARG  54          2HH1      ARG  54 -13.965  -7.463  -2.213
  444   1HH2  ARG  54          1HH2      ARG  54 -15.920  -9.238  -5.254
  445   2HH2  ARG  54          2HH2      ARG  54 -16.276  -7.597  -4.833
  446    H    THR  55           H        THR  55 -10.389 -12.997  -2.000
  447    HA   THR  55           HA       THR  55  -7.772 -13.455  -0.812
  448    HB   THR  55           HB       THR  55  -8.155 -15.776  -1.193
  449    HG1  THR  55           HG1      THR  55  -9.353 -16.500  -2.760
  450   1HG2  THR  55          1HG2      THR  55 -10.881 -15.687  -0.671
  451   2HG2  THR  55          2HG2      THR  55 -10.228 -14.211   0.038
  452   3HG2  THR  55          3HG2      THR  55  -9.570 -15.780   0.505
  453    H    LEU  56           H        LEU  56  -5.938 -14.062  -1.947
  454    HA   LEU  56           HA       LEU  56  -5.375 -12.810  -4.330
  455   1HB   LEU  56          1HB       LEU  56  -4.085 -15.398  -3.488
  456   2HB   LEU  56          2HB       LEU  56  -3.374 -14.104  -4.433
  457    HG   LEU  56           HG       LEU  56  -3.870 -14.226  -1.483
  458   1HD1  LEU  56          1HD1      LEU  56  -1.679 -14.566  -1.523
  459   2HD1  LEU  56          2HD1      LEU  56  -1.485 -12.922  -2.131
  460   3HD1  LEU  56          3HD1      LEU  56  -1.612 -14.272  -3.260
  461   1HD2  LEU  56          1HD2      LEU  56  -4.177 -11.890  -3.199
  462   2HD2  LEU  56          2HD2      LEU  56  -2.977 -11.672  -1.925
  463   3HD2  LEU  56          3HD2      LEU  56  -4.630 -12.125  -1.512
  464    H    SER  57           H        SER  57  -6.717 -16.012  -3.802
  465    HA   SER  57           HA       SER  57  -6.491 -16.874  -6.511
  466   1HB   SER  57          1HB       SER  57  -6.664 -18.593  -4.888
  467   2HB   SER  57          2HB       SER  57  -8.088 -17.859  -4.149
  468    HG   SER  57           HG       SER  57  -7.907 -19.557  -6.276
  469    H    ASP  58           H        ASP  58  -8.515 -14.662  -4.975
  470    HA   ASP  58           HA       ASP  58 -10.809 -15.090  -6.690
  471   1HB   ASP  58          1HB       ASP  58 -10.171 -13.022  -4.585
  472   2HB   ASP  58          2HB       ASP  58 -11.646 -12.986  -5.546
  473    H    TYR  59           H        TYR  59  -7.844 -13.646  -7.068
  474    HA   TYR  59           HA       TYR  59  -8.896 -11.704  -9.016
  475   1HB   TYR  59          1HB       TYR  59  -6.515 -11.659  -7.215
  476   2HB   TYR  59          2HB       TYR  59  -6.408 -10.831  -8.764
  477    HD1  TYR  59           HD1      TYR  59  -7.445 -10.568  -5.379
  478    HD2  TYR  59           HD2      TYR  59  -8.306  -9.136  -9.302
  479    HE1  TYR  59           HE1      TYR  59  -8.599  -8.620  -4.408
  480    HE2  TYR  59           HE2      TYR  59  -9.462  -7.184  -8.340
  481    HH   TYR  59           HH       TYR  59  -9.340  -5.887  -6.102
  482    H    ASN  60           H        ASN  60  -5.672 -13.137  -8.657
  483    HA   ASN  60           HA       ASN  60  -5.634 -15.080 -10.538
  484   1HB   ASN  60          1HB       ASN  60  -4.781 -13.798 -12.592
  485   2HB   ASN  60          2HB       ASN  60  -6.511 -13.749 -12.273
  486   1HD2  ASN  60          1HD2      ASN  60  -5.340 -11.878 -13.871
  487   2HD2  ASN  60          2HD2      ASN  60  -5.349 -10.342 -13.081
  488    H    LEU  61           H        LEU  61  -4.212 -14.333  -8.261
  489    HA   LEU  61           HA       LEU  61  -1.576 -13.453  -9.062
  490   1HB   LEU  61          1HB       LEU  61  -2.797 -14.297  -6.452
  491   2HB   LEU  61          2HB       LEU  61  -1.070 -14.044  -6.610
  492    HG   LEU  61           HG       LEU  61  -2.637 -12.124  -5.747
  493   1HD1  LEU  61          1HD1      LEU  61  -0.542 -11.529  -7.827
  494   2HD1  LEU  61          2HD1      LEU  61  -0.181 -12.032  -6.176
  495   3HD1  LEU  61          3HD1      LEU  61  -1.029 -10.513  -6.469
  496   1HD2  LEU  61          1HD2      LEU  61  -3.179 -10.596  -7.689
  497   2HD2  LEU  61          2HD2      LEU  61  -4.216 -12.010  -7.497
  498   3HD2  LEU  61          3HD2      LEU  61  -2.958 -12.000  -8.733
  499    H    GLN  62           H        GLN  62  -0.083 -14.756  -9.865
  500    HA   GLN  62           HA       GLN  62  -0.334 -17.646  -9.444
  501   1HB   GLN  62          1HB       GLN  62   1.329 -16.092 -11.436
  502   2HB   GLN  62          2HB       GLN  62   1.247 -17.846 -11.335
  503   1HG   GLN  62          1HG       GLN  62  -0.983 -17.894 -12.062
  504   2HG   GLN  62          2HG       GLN  62  -1.195 -16.165 -11.785
  505   1HE2  GLN  62          1HE2      GLN  62   0.285 -14.756 -13.107
  506   2HE2  GLN  62          2HE2      GLN  62   0.522 -15.206 -14.758
  507    H    LYS  63           H        LYS  63   1.970 -18.747  -9.531
  508    HA   LYS  63           HA       LYS  63   3.257 -18.101  -7.113
  509   1HB   LYS  63          1HB       LYS  63   3.326 -20.210  -8.975
  510   2HB   LYS  63          2HB       LYS  63   4.978 -19.617  -8.859
  511   1HG   LYS  63          1HG       LYS  63   4.840 -19.859  -6.396
  512   2HG   LYS  63          2HG       LYS  63   3.242 -20.582  -6.595
  513   1HD   LYS  63          1HD       LYS  63   4.213 -22.559  -6.887
  514   2HD   LYS  63          2HD       LYS  63   4.960 -21.941  -8.362
  515   1HE   LYS  63          1HE       LYS  63   6.841 -21.086  -7.023
  516   2HE   LYS  63          2HE       LYS  63   6.101 -21.766  -5.574
  517   1HZ   LYS  63          1HZ       LYS  63   7.901 -23.118  -6.724
  518   2HZ   LYS  63          2HZ       LYS  63   6.746 -23.452  -7.914
  519   3HZ   LYS  63          3HZ       LYS  63   6.473 -23.930  -6.315
  520    H    GLU  64           H        GLU  64   4.573 -16.463  -6.709
  521    HA   GLU  64           HA       GLU  64   6.156 -14.847  -6.936
  522   1HB   GLU  64          1HB       GLU  64   7.149 -16.501  -9.262
  523   2HB   GLU  64          2HB       GLU  64   8.060 -15.286  -8.376
  524   1HG   GLU  64          1HG       GLU  64   8.096 -16.640  -6.413
  525   2HG   GLU  64          2HG       GLU  64   6.977 -17.798  -7.129
  526    H    SER  65           H        SER  65   4.340 -13.480  -7.594
  527    HA   SER  65           HA       SER  65   4.414 -12.756 -10.445
  528   1HB   SER  65          1HB       SER  65   2.275 -11.949  -8.474
  529   2HB   SER  65          2HB       SER  65   2.198 -11.921 -10.235
  530    HG   SER  65           HG       SER  65   1.867 -14.039 -10.277
  531    H    THR  66           H        THR  66   3.515 -10.267 -10.526
  532    HA   THR  66           HA       THR  66   5.249  -8.704  -8.733
  533    HB   THR  66           HB       THR  66   4.961  -8.441 -11.727
  534    HG1  THR  66           HG1      THR  66   7.361  -8.562 -10.275
  535   1HG2  THR  66          1HG2      THR  66   6.840  -6.630 -11.142
  536   2HG2  THR  66          2HG2      THR  66   5.789  -6.434  -9.740
  537   3HG2  THR  66          3HG2      THR  66   5.137  -6.230 -11.367
  538    H    ILE  67           H        ILE  67   4.340  -6.942  -7.850
  539    HA   ILE  67           HA       ILE  67   1.861  -5.888  -9.016
  540    HB   ILE  67           HB       ILE  67   2.243  -6.727  -6.145
  541   1HG1  ILE  67          1HG1      ILE  67  -0.148  -7.681  -6.818
  542   2HG1  ILE  67          2HG1      ILE  67   0.540  -7.588  -8.437
  543   1HG2  ILE  67          1HG2      ILE  67  -0.269  -5.734  -6.201
  544   2HG2  ILE  67          2HG2      ILE  67   0.550  -4.611  -7.286
  545   3HG2  ILE  67          3HG2      ILE  67   1.138  -4.832  -5.639
  546   1HD1  ILE  67          1HD1      ILE  67   2.547  -8.830  -7.187
  547   2HD1  ILE  67          2HD1      ILE  67   1.196  -9.680  -7.937
  548   3HD1  ILE  67          3HD1      ILE  67   1.195  -9.385  -6.199
  549    H    HIS  68           H        HIS  68   1.619  -3.709  -8.876
  550    HA   HIS  68           HA       HIS  68   3.922  -2.206  -7.927
  551   1HB   HIS  68          1HB       HIS  68   1.471  -1.262  -9.428
  552   2HB   HIS  68          2HB       HIS  68   2.920  -0.312  -9.116
  553    HD1  HIS  68           HD1      HIS  68   3.051  -0.081 -11.766
  554    HD2  HIS  68           HD2      HIS  68   3.663  -3.902 -10.254
  555    HE1  HIS  68           HE1      HIS  68   4.110  -1.384 -13.639
  556    HE2  HIS  68           HE2      HIS  68   4.535  -3.673 -12.678
  557    H    LEU  69           H        LEU  69   3.943  -1.570  -5.877
  558    HA   LEU  69           HA       LEU  69   1.409  -1.001  -4.521
  559   1HB   LEU  69          1HB       LEU  69   2.830  -2.554  -3.360
  560   2HB   LEU  69          2HB       LEU  69   4.200  -1.465  -3.477
  561    HG   LEU  69           HG       LEU  69   1.708  -0.746  -1.946
  562   1HD1  LEU  69          1HD1      LEU  69   4.190  -2.102  -0.904
  563   2HD1  LEU  69          2HD1      LEU  69   2.581  -2.815  -1.009
  564   3HD1  LEU  69          3HD1      LEU  69   2.875  -1.460   0.080
  565   1HD2  LEU  69          1HD2      LEU  69   3.680   0.552  -0.734
  566   2HD2  LEU  69          2HD2      LEU  69   2.849   1.209  -2.144
  567   3HD2  LEU  69          3HD2      LEU  69   4.410   0.409  -2.333
  568    H    VAL  70           H        VAL  70   0.787   1.048  -4.832
  569    HA   VAL  70           HA       VAL  70   2.806   3.174  -4.541
  570    HB   VAL  70           HB       VAL  70   1.234   4.634  -5.778
  571   1HG1  VAL  70          1HG1      VAL  70   2.743   3.948  -7.306
  572   2HG1  VAL  70          2HG1      VAL  70   1.370   3.054  -7.959
  573   3HG1  VAL  70          3HG1      VAL  70   2.531   2.242  -6.908
  574   1HG2  VAL  70          1HG2      VAL  70  -0.855   3.543  -5.258
  575   2HG2  VAL  70          2HG2      VAL  70  -0.348   2.089  -6.117
  576   3HG2  VAL  70          3HG2      VAL  70  -0.635   3.584  -7.007
  577    H    LEU  71           H        LEU  71   2.435   4.875  -3.159
  578    HA   LEU  71           HA       LEU  71   0.809   4.381  -0.901
  579   1HB   LEU  71          1HB       LEU  71   2.937   6.001  -1.436
  580   2HB   LEU  71          2HB       LEU  71   1.629   7.167  -1.358
  581    HG   LEU  71           HG       LEU  71   1.695   5.225   0.857
  582   1HD1  LEU  71          1HD1      LEU  71   3.711   7.424   0.962
  583   2HD1  LEU  71          2HD1      LEU  71   4.140   5.869   0.249
  584   3HD1  LEU  71          3HD1      LEU  71   3.602   5.951   1.927
  585   1HD2  LEU  71          1HD2      LEU  71   1.660   7.753   1.887
  586   2HD2  LEU  71          2HD2      LEU  71   0.233   6.812   1.449
  587   3HD2  LEU  71          3HD2      LEU  71   0.902   7.984   0.312
  588    H    ARG  72           H        ARG  72  -1.073   5.375  -0.188
  589    HA   ARG  72           HA       ARG  72  -3.089   5.823  -2.023
  590   1HB   ARG  72          1HB       ARG  72  -2.938   5.661   0.710
  591   2HB   ARG  72          2HB       ARG  72  -3.401   7.340   0.472
  592   1HG   ARG  72          1HG       ARG  72  -5.062   5.939  -1.242
  593   2HG   ARG  72          2HG       ARG  72  -4.973   4.928   0.202
  594   1HD   ARG  72          1HD       ARG  72  -6.104   7.645  -0.157
  595   2HD   ARG  72          2HD       ARG  72  -6.683   6.298   0.822
  596    HE   ARG  72           HE       ARG  72  -4.811   8.357   1.615
  597   1HH1  ARG  72          1HH1      ARG  72  -5.703   5.244   3.968
  598   2HH1  ARG  72          2HH1      ARG  72  -6.146   5.213   2.294
  599   1HH2  ARG  72          1HH2      ARG  72  -4.224   8.408   3.816
  600   2HH2  ARG  72          2HH2      ARG  72  -4.611   7.061   4.835
  601    H    LEU  73           H        LEU  73  -3.396   7.391  -3.448
  602    HA   LEU  73           HA       LEU  73  -2.041   9.949  -3.096
  603   1HB   LEU  73          1HB       LEU  73  -2.759   8.327  -5.322
  604   2HB   LEU  73          2HB       LEU  73  -3.580   9.866  -5.492
  605    HG   LEU  73           HG       LEU  73  -1.362   9.752  -6.630
  606   1HD1  LEU  73          1HD1      LEU  73  -0.503  11.909  -5.555
  607   2HD1  LEU  73          2HD1      LEU  73  -1.893  11.772  -4.478
  608   3HD1  LEU  73          3HD1      LEU  73  -2.136  11.917  -6.219
  609   1HD2  LEU  73          1HD2      LEU  73   0.138  10.160  -4.162
  610   2HD2  LEU  73          2HD2      LEU  73   0.530   9.193  -5.584
  611   3HD2  LEU  73          3HD2      LEU  73  -0.519   8.532  -4.330
  612    H    ARG  74           H        ARG  74  -3.047  11.874  -2.805
  613    HA   ARG  74           HA       ARG  74  -5.330  12.193  -1.435
  614   1HB   ARG  74          1HB       ARG  74  -4.625  14.114  -3.648
  615   2HB   ARG  74          2HB       ARG  74  -5.393  14.474  -2.107
  616   1HG   ARG  74          1HG       ARG  74  -3.349  15.104  -1.471
  617   2HG   ARG  74          2HG       ARG  74  -3.039  13.376  -1.299
  618   1HD   ARG  74          1HD       ARG  74  -1.338  13.731  -2.711
  619   2HD   ARG  74          2HD       ARG  74  -2.580  13.778  -3.962
  620    HE   ARG  74           HE       ARG  74  -2.095  16.318  -2.702
  621   1HH1  ARG  74          1HH1      ARG  74  -0.440  15.387  -6.227
  622   2HH1  ARG  74          2HH1      ARG  74  -1.128  14.139  -5.241
  623   1HH2  ARG  74          1HH2      ARG  74  -1.192  17.968  -3.992
  624   2HH2  ARG  74          2HH2      ARG  74  -0.477  17.564  -5.516
  625    H    GLY  75           H        GLY  75  -7.518  12.678  -1.865
  626   1HA   GLY  75          1HA       GLY  75  -9.173  13.064  -3.725
  627   2HA   GLY  75          2HA       GLY  75  -8.450  11.647  -4.471
  628    H    GLY  76           H        GLY  76  -8.490   9.632  -3.064
  629   1HA   GLY  76          1HA       GLY  76 -10.034   9.110  -0.910
  630   2HA   GLY  76          2HA       GLY  76 -11.222   9.247  -2.197
  Start of MODEL    2
    1   1H    MET   1          1H        MET   1   2.823 -21.483  -2.169
    2   2H    MET   1          2H        MET   1   3.801 -20.395  -1.272
    3   3H    MET   1          3H        MET   1   4.515 -21.433  -2.436
    4    HA   MET   1           HA       MET   1   3.986 -20.158  -4.124
    5   1HB   MET   1          1HB       MET   1   1.653 -20.597  -4.051
    6   2HB   MET   1          2HB       MET   1   1.448 -19.663  -2.576
    7   1HG   MET   1          1HG       MET   1   2.465 -17.831  -4.367
    8   2HG   MET   1          2HG       MET   1   1.371 -18.810  -5.341
    9   1HE   MET   1          1HE       MET   1  -1.873 -18.080  -4.707
   10   2HE   MET   1          2HE       MET   1  -0.518 -18.277  -5.819
   11   3HE   MET   1          3HE       MET   1  -1.100 -16.661  -5.414
   12    H    GLN   2           H        GLN   2   5.348 -18.509  -4.291
   13    HA   GLN   2           HA       GLN   2   5.253 -16.386  -2.251
   14   1HB   GLN   2          1HB       GLN   2   7.592 -17.071  -4.034
   15   2HB   GLN   2          2HB       GLN   2   7.587 -15.982  -2.653
   16   1HG   GLN   2          1HG       GLN   2   7.341 -17.776  -1.125
   17   2HG   GLN   2          2HG       GLN   2   7.013 -18.921  -2.426
   18   1HE2  GLN   2          1HE2      GLN   2   9.486 -16.815  -1.069
   19   2HE2  GLN   2          2HE2      GLN   2  10.836 -17.745  -1.612
   20    H    LEU   3           H        LEU   3   5.469 -14.213  -2.919
   21    HA   LEU   3           HA       LEU   3   5.073 -13.728  -5.792
   22   1HB   LEU   3          1HB       LEU   3   3.573 -12.325  -3.581
   23   2HB   LEU   3          2HB       LEU   3   3.389 -12.051  -5.303
   24    HG   LEU   3           HG       LEU   3   2.821 -14.735  -4.077
   25   1HD1  LEU   3          1HD1      LEU   3   1.267 -13.586  -2.871
   26   2HD1  LEU   3          2HD1      LEU   3   0.366 -13.799  -4.372
   27   3HD1  LEU   3          3HD1      LEU   3   1.172 -12.267  -4.039
   28   1HD2  LEU   3          1HD2      LEU   3   1.132 -14.216  -6.214
   29   2HD2  LEU   3          2HD2      LEU   3   2.568 -15.241  -6.228
   30   3HD2  LEU   3          3HD2      LEU   3   2.688 -13.549  -6.712
   31    H    PHE   4           H        PHE   4   5.445 -11.419  -6.387
   32    HA   PHE   4           HA       PHE   4   7.653 -10.318  -4.781
   33   1HB   PHE   4          1HB       PHE   4   7.166  -9.781  -7.709
   34   2HB   PHE   4          2HB       PHE   4   8.629  -9.472  -6.781
   35    HD1  PHE   4           HD1      PHE   4   8.302 -11.045  -9.413
   36    HD2  PHE   4           HD2      PHE   4   8.488 -12.222  -5.319
   37    HE1  PHE   4           HE1      PHE   4   9.189 -13.243 -10.089
   38    HE2  PHE   4           HE2      PHE   4   9.375 -14.423  -5.987
   39    HZ   PHE   4           HZ       PHE   4   9.726 -14.935  -8.375
   40    H    VAL   5           H        VAL   5   7.636  -8.196  -4.187
   41    HA   VAL   5           HA       VAL   5   5.399  -6.530  -5.110
   42    HB   VAL   5           HB       VAL   5   6.242  -6.351  -2.251
   43   1HG1  VAL   5          1HG1      VAL   5   3.432  -6.137  -2.781
   44   2HG1  VAL   5          2HG1      VAL   5   4.336  -5.108  -3.893
   45   3HG1  VAL   5          3HG1      VAL   5   4.545  -4.923  -2.151
   46   1HG2  VAL   5          1HG2      VAL   5   4.577  -8.517  -3.465
   47   2HG2  VAL   5          2HG2      VAL   5   4.223  -7.936  -1.837
   48   3HG2  VAL   5          3HG2      VAL   5   5.806  -8.622  -2.205
   49    H    LYS   6           H        LYS   6   6.163  -4.720  -5.958
   50    HA   LYS   6           HA       LYS   6   8.687  -3.625  -4.905
   51   1HB   LYS   6          1HB       LYS   6   9.176  -2.758  -7.083
   52   2HB   LYS   6          2HB       LYS   6   8.752  -4.455  -7.268
   53   1HG   LYS   6          1HG       LYS   6   6.588  -3.898  -8.104
   54   2HG   LYS   6          2HG       LYS   6   6.822  -2.192  -7.716
   55   1HD   LYS   6          1HD       LYS   6   8.488  -3.743  -9.694
   56   2HD   LYS   6          2HD       LYS   6   7.124  -2.709 -10.125
   57   1HE   LYS   6          1HE       LYS   6   9.112  -1.425  -8.399
   58   2HE   LYS   6          2HE       LYS   6   9.729  -1.902  -9.980
   59   1HZ   LYS   6          1HZ       LYS   6   8.895   0.107 -10.532
   60   2HZ   LYS   6          2HZ       LYS   6   7.743   0.113  -9.293
   61   3HZ   LYS   6          3HZ       LYS   6   7.458  -0.769 -10.707
   62    H    THR   7           H        THR   7   8.843  -1.422  -4.529
   63    HA   THR   7           HA       THR   7   6.274  -0.058  -4.226
   64    HB   THR   7           HB       THR   7   7.489   1.495  -2.768
   65    HG1  THR   7           HG1      THR   7   9.631   1.388  -2.508
   66   1HG2  THR   7          1HG2      THR   7   8.316  -0.107  -1.033
   67   2HG2  THR   7          2HG2      THR   7   7.981  -1.407  -2.177
   68   3HG2  THR   7          3HG2      THR   7   6.667  -0.385  -1.594
   69    H    LEU   8           H        LEU   8   6.602   2.481  -4.432
   70    HA   LEU   8           HA       LEU   8   7.001   2.974  -7.200
   71   1HB   LEU   8          1HB       LEU   8   5.778   4.286  -5.042
   72   2HB   LEU   8          2HB       LEU   8   7.019   5.383  -5.614
   73    HG   LEU   8           HG       LEU   8   4.703   4.259  -7.184
   74   1HD1  LEU   8          1HD1      LEU   8   5.100   6.627  -5.669
   75   2HD1  LEU   8          2HD1      LEU   8   3.697   6.152  -6.626
   76   3HD1  LEU   8          3HD1      LEU   8   5.004   7.069  -7.373
   77   1HD2  LEU   8          1HD2      LEU   8   7.253   5.483  -8.091
   78   2HD2  LEU   8          2HD2      LEU   8   5.767   5.930  -8.928
   79   3HD2  LEU   8          3HD2      LEU   8   6.261   4.238  -8.849
   80    H    THR   9           H        THR   9   9.135   2.834  -4.587
   81    HA   THR   9           HA       THR   9  11.058   4.701  -5.721
   82    HB   THR   9           HB       THR   9  12.434   3.646  -3.708
   83    HG1  THR   9           HG1      THR   9  11.298   2.433  -2.452
   84   1HG2  THR   9          1HG2      THR   9  12.135   5.739  -3.057
   85   2HG2  THR   9          2HG2      THR   9  10.662   5.194  -2.256
   86   3HG2  THR   9          3HG2      THR   9  10.585   5.853  -3.889
   87    H    GLY  10           H        GLY  10  10.297   1.378  -5.862
   88   1HA   GLY  10          1HA       GLY  10  11.393   0.165  -7.706
   89   2HA   GLY  10          2HA       GLY  10  12.911   0.835  -7.127
   90    H    LYS  11           H        LYS  11  12.548   0.434  -4.374
   91    HA   LYS  11           HA       LYS  11  13.676  -1.930  -3.824
   92   1HB   LYS  11          1HB       LYS  11  12.822  -0.019  -2.243
   93   2HB   LYS  11          2HB       LYS  11  11.437  -1.080  -2.024
   94   1HG   LYS  11          1HG       LYS  11  12.766  -2.787  -1.084
   95   2HG   LYS  11          2HG       LYS  11  14.262  -2.002  -1.594
   96   1HD   LYS  11          1HD       LYS  11  14.339  -1.108   0.449
   97   2HD   LYS  11          2HD       LYS  11  13.003  -0.076  -0.063
   98   1HE   LYS  11          1HE       LYS  11  12.292  -2.784   0.879
   99   2HE   LYS  11          2HE       LYS  11  12.903  -1.667   2.098
  100   1HZ   LYS  11          1HZ       LYS  11  10.549  -1.460   2.008
  101   2HZ   LYS  11          2HZ       LYS  11  10.555  -1.275   0.327
  102   3HZ   LYS  11          3HZ       LYS  11  11.199  -0.061   1.313
  103    H    THR  12           H        THR  12  13.189  -4.047  -3.821
  104    HA   THR  12           HA       THR  12  10.373  -4.827  -4.160
  105    HB   THR  12           HB       THR  12  12.702  -6.092  -5.613
  106    HG1  THR  12           HG1      THR  12  12.474  -4.426  -6.863
  107   1HG2  THR  12          1HG2      THR  12  11.192  -7.393  -6.793
  108   2HG2  THR  12          2HG2      THR  12   9.812  -6.406  -6.310
  109   3HG2  THR  12          3HG2      THR  12  10.592  -7.466  -5.137
  110    H    LEU  13           H        LEU  13   9.739  -6.722  -3.174
  111    HA   LEU  13           HA       LEU  13  11.762  -8.210  -1.658
  112   1HB   LEU  13          1HB       LEU  13  10.605  -8.076   0.372
  113   2HB   LEU  13          2HB       LEU  13  10.591  -6.438  -0.254
  114    HG   LEU  13           HG       LEU  13   8.236  -7.568  -1.229
  115   1HD1  LEU  13          1HD1      LEU  13   7.162  -8.687   0.501
  116   2HD1  LEU  13          2HD1      LEU  13   8.346  -8.172   1.701
  117   3HD1  LEU  13          3HD1      LEU  13   8.779  -9.392   0.504
  118   1HD2  LEU  13          1HD2      LEU  13   7.156  -6.013   0.303
  119   2HD2  LEU  13          2HD2      LEU  13   8.560  -5.270  -0.463
  120   3HD2  LEU  13          3HD2      LEU  13   8.663  -5.839   1.204
  121    H    THR  14           H        THR  14  10.898 -10.289  -0.802
  122    HA   THR  14           HA       THR  14   8.782 -11.361  -2.550
  123    HB   THR  14           HB       THR  14  11.136 -12.962  -1.561
  124    HG1  THR  14           HG1      THR  14  10.898 -11.834  -4.141
  125   1HG2  THR  14          1HG2      THR  14  10.137 -14.674  -2.525
  126   2HG2  THR  14          2HG2      THR  14  10.162 -13.820  -4.068
  127   3HG2  THR  14          3HG2      THR  14   8.783 -13.642  -2.984
  128    H    VAL  15           H        VAL  15   7.134 -12.317  -1.546
  129    HA   VAL  15           HA       VAL  15   7.495 -13.110   1.272
  130    HB   VAL  15           HB       VAL  15   4.915 -12.639   1.340
  131   1HG1  VAL  15          1HG1      VAL  15   6.867 -10.342   1.349
  132   2HG1  VAL  15          2HG1      VAL  15   6.698 -11.512   2.658
  133   3HG1  VAL  15          3HG1      VAL  15   5.349 -10.456   2.239
  134   1HG2  VAL  15          1HG2      VAL  15   4.002 -11.288  -0.226
  135   2HG2  VAL  15          2HG2      VAL  15   5.266 -11.980  -1.242
  136   3HG2  VAL  15          3HG2      VAL  15   5.503 -10.401  -0.492
  137    H    GLU  16           H        GLU  16   5.907 -14.744   2.021
  138    HA   GLU  16           HA       GLU  16   5.158 -16.590  -0.149
  139   1HB   GLU  16          1HB       GLU  16   5.634 -18.445   1.469
  140   2HB   GLU  16          2HB       GLU  16   7.054 -17.547   0.949
  141   1HG   GLU  16          1HG       GLU  16   7.529 -16.890   3.020
  142   2HG   GLU  16          2HG       GLU  16   5.854 -16.460   3.362
  143    H    LEU  17           H        LEU  17   3.026 -16.703  -0.280
  144    HA   LEU  17           HA       LEU  17   1.471 -17.074   2.167
  145   1HB   LEU  17          1HB       LEU  17   1.117 -14.876   0.171
  146   2HB   LEU  17          2HB       LEU  17  -0.289 -15.528   0.991
  147    HG   LEU  17           HG       LEU  17   2.065 -14.598   2.594
  148   1HD1  LEU  17          1HD1      LEU  17   1.741 -12.692   1.265
  149   2HD1  LEU  17          2HD1      LEU  17   0.825 -12.382   2.740
  150   3HD1  LEU  17          3HD1      LEU  17  -0.012 -12.881   1.271
  151   1HD2  LEU  17          1HD2      LEU  17   0.191 -15.848   3.636
  152   2HD2  LEU  17          2HD2      LEU  17  -0.896 -14.549   3.146
  153   3HD2  LEU  17          3HD2      LEU  17   0.409 -14.224   4.287
  154    H    GLU  18           H        GLU  18  -0.926 -17.537   1.480
  155    HA   GLU  18           HA       GLU  18  -0.791 -19.510  -0.699
  156   1HB   GLU  18          1HB       GLU  18  -2.871 -19.434   1.479
  157   2HB   GLU  18          2HB       GLU  18  -2.444 -20.778   0.430
  158   1HG   GLU  18          1HG       GLU  18  -0.282 -19.738   2.137
  159   2HG   GLU  18          2HG       GLU  18  -1.615 -20.540   2.967
  160    HA   PRO  19           HA       PRO  19  -3.776 -17.405  -3.146
  161   1HB   PRO  19          1HB       PRO  19  -5.374 -19.450  -3.999
  162   2HB   PRO  19          2HB       PRO  19  -3.763 -19.134  -4.647
  163   1HG   PRO  19          1HG       PRO  19  -4.617 -21.123  -2.577
  164   2HG   PRO  19          2HG       PRO  19  -3.484 -21.327  -3.926
  165   1HD   PRO  19          1HD       PRO  19  -2.635 -20.929  -1.405
  166   2HD   PRO  19          2HD       PRO  19  -1.760 -20.272  -2.802
  167    H    SER  20           H        SER  20  -4.738 -19.212  -0.401
  168    HA   SER  20           HA       SER  20  -7.521 -18.410  -0.524
  169   1HB   SER  20          1HB       SER  20  -7.697 -19.583   1.659
  170   2HB   SER  20          2HB       SER  20  -6.996 -20.601   0.401
  171    HG   SER  20           HG       SER  20  -5.423 -19.106   2.218
  172    H    ASP  21           H        ASP  21  -4.562 -17.295   0.865
  173    HA   ASP  21           HA       ASP  21  -5.372 -15.841   3.054
  174   1HB   ASP  21          1HB       ASP  21  -3.196 -15.504   1.041
  175   2HB   ASP  21          2HB       ASP  21  -3.509 -14.174   2.152
  176    H    THR  22           H        THR  22  -5.551 -13.425   3.220
  177    HA   THR  22           HA       THR  22  -7.241 -12.386   1.039
  178    HB   THR  22           HB       THR  22  -8.214 -10.951   2.989
  179    HG1  THR  22           HG1      THR  22  -6.736 -11.643   4.566
  180   1HG2  THR  22          1HG2      THR  22  -8.820 -13.832   2.486
  181   2HG2  THR  22          2HG2      THR  22  -9.736 -12.399   2.021
  182   3HG2  THR  22          3HG2      THR  22  -9.703 -12.915   3.707
  183    H    VAL  23           H        VAL  23  -7.277 -10.014   0.850
  184    HA   VAL  23           HA       VAL  23  -4.780  -8.911   0.477
  185    HB   VAL  23           HB       VAL  23  -7.131  -7.182   1.201
  186   1HG1  VAL  23          1HG1      VAL  23  -5.724  -5.604   0.512
  187   2HG1  VAL  23          2HG1      VAL  23  -5.846  -6.286  -1.110
  188   3HG1  VAL  23          3HG1      VAL  23  -4.553  -6.806  -0.029
  189   1HG2  VAL  23          1HG2      VAL  23  -8.359  -8.276  -0.313
  190   2HG2  VAL  23          2HG2      VAL  23  -6.965  -9.160  -0.935
  191   3HG2  VAL  23          3HG2      VAL  23  -7.309  -7.532  -1.519
  192    H    GLU  24           H        GLU  24  -6.864  -8.745   3.323
  193    HA   GLU  24           HA       GLU  24  -5.471  -6.852   4.811
  194   1HB   GLU  24          1HB       GLU  24  -7.632  -8.551   5.240
  195   2HB   GLU  24          2HB       GLU  24  -6.456  -9.048   6.448
  196   1HG   GLU  24          1HG       GLU  24  -6.578  -6.202   6.397
  197   2HG   GLU  24          2HG       GLU  24  -8.214  -6.849   6.517
  198    H    ASN  25           H        ASN  25  -4.970 -10.339   4.522
  199    HA   ASN  25           HA       ASN  25  -2.935 -10.580   6.445
  200   1HB   ASN  25          1HB       ASN  25  -3.215 -12.255   3.946
  201   2HB   ASN  25          2HB       ASN  25  -2.475 -12.726   5.473
  202   1HD2  ASN  25          1HD2      ASN  25  -4.619 -11.363   6.988
  203   2HD2  ASN  25          2HD2      ASN  25  -5.981 -12.423   6.904
  204    H    LEU  26           H        LEU  26  -2.632 -10.468   2.886
  205    HA   LEU  26           HA       LEU  26   0.105 -10.328   2.688
  206   1HB   LEU  26          1HB       LEU  26  -1.081 -10.527   0.677
  207   2HB   LEU  26          2HB       LEU  26  -2.084  -9.130   1.023
  208    HG   LEU  26           HG       LEU  26  -0.038  -7.694   0.737
  209   1HD1  LEU  26          1HD1      LEU  26   1.179 -10.098  -0.585
  210   2HD1  LEU  26          2HD1      LEU  26   1.523  -9.675   1.092
  211   3HD1  LEU  26          3HD1      LEU  26   1.931  -8.550  -0.203
  212   1HD2  LEU  26          1HD2      LEU  26  -0.872  -9.356  -1.638
  213   2HD2  LEU  26          2HD2      LEU  26  -0.103  -7.770  -1.696
  214   3HD2  LEU  26          3HD2      LEU  26  -1.723  -7.940  -1.019
  215    H    LYS  27           H        LYS  27  -2.122  -7.553   2.885
  216    HA   LYS  27           HA       LYS  27  -0.213  -5.535   2.961
  217   1HB   LYS  27          1HB       LYS  27  -2.876  -5.577   4.395
  218   2HB   LYS  27          2HB       LYS  27  -1.941  -4.143   3.989
  219   1HG   LYS  27          1HG       LYS  27  -2.415  -5.728   1.639
  220   2HG   LYS  27          2HG       LYS  27  -3.932  -5.366   2.465
  221   1HD   LYS  27          1HD       LYS  27  -2.965  -2.948   2.589
  222   2HD   LYS  27          2HD       LYS  27  -1.932  -3.497   1.267
  223   1HE   LYS  27          1HE       LYS  27  -3.976  -4.188   0.034
  224   2HE   LYS  27          2HE       LYS  27  -4.947  -3.480   1.326
  225   1HZ   LYS  27          1HZ       LYS  27  -3.304  -2.147  -0.708
  226   2HZ   LYS  27          2HZ       LYS  27  -3.507  -1.392   0.791
  227   3HZ   LYS  27          3HZ       LYS  27  -4.857  -1.762  -0.157
  228    H    ALA  28           H        ALA  28  -1.769  -7.225   5.680
  229    HA   ALA  28           HA       ALA  28  -0.679  -5.994   7.834
  230   1HB   ALA  28          1HB       ALA  28  -0.825  -8.105   9.032
  231   2HB   ALA  28          2HB       ALA  28  -0.908  -8.984   7.505
  232   3HB   ALA  28          3HB       ALA  28  -2.219  -7.900   7.971
  233    H    LYS  29           H        LYS  29   0.907  -8.467   5.844
  234    HA   LYS  29           HA       LYS  29   3.313  -8.551   7.326
  235   1HB   LYS  29          1HB       LYS  29   3.136  -9.117   4.377
  236   2HB   LYS  29          2HB       LYS  29   4.185  -9.865   5.573
  237   1HG   LYS  29          1HG       LYS  29   1.634 -10.435   6.478
  238   2HG   LYS  29          2HG       LYS  29   1.519 -10.602   4.724
  239   1HD   LYS  29          1HD       LYS  29   2.593 -12.547   4.800
  240   2HD   LYS  29          2HD       LYS  29   3.952 -11.800   5.641
  241   1HE   LYS  29          1HE       LYS  29   2.132 -11.978   7.644
  242   2HE   LYS  29          2HE       LYS  29   1.725 -13.405   6.692
  243   1HZ   LYS  29          1HZ       LYS  29   4.552 -12.974   7.209
  244   2HZ   LYS  29          2HZ       LYS  29   3.659 -14.410   7.204
  245   3HZ   LYS  29          3HZ       LYS  29   3.611 -13.389   8.552
  246    H    ILE  30           H        ILE  30   2.308  -6.704   4.480
  247    HA   ILE  30           HA       ILE  30   4.778  -5.473   3.948
  248    HB   ILE  30           HB       ILE  30   1.977  -4.497   3.393
  249   1HG1  ILE  30          1HG1      ILE  30   3.982  -6.137   1.869
  250   2HG1  ILE  30          2HG1      ILE  30   2.280  -6.475   2.169
  251   1HG2  ILE  30          1HG2      ILE  30   2.992  -2.975   1.773
  252   2HG2  ILE  30          2HG2      ILE  30   4.598  -3.495   2.286
  253   3HG2  ILE  30          3HG2      ILE  30   3.548  -2.631   3.411
  254   1HD1  ILE  30          1HD1      ILE  30   2.336  -5.908  -0.070
  255   2HD1  ILE  30          2HD1      ILE  30   3.508  -4.615   0.181
  256   3HD1  ILE  30          3HD1      ILE  30   1.838  -4.406   0.709
  257    H    GLN  31           H        GLN  31   2.499  -4.975   6.452
  258    HA   GLN  31           HA       GLN  31   3.389  -2.268   7.032
  259   1HB   GLN  31          1HB       GLN  31   1.063  -2.662   7.399
  260   2HB   GLN  31          2HB       GLN  31   1.390  -4.106   8.347
  261   1HG   GLN  31          1HG       GLN  31   2.604  -2.532   9.964
  262   2HG   GLN  31          2HG       GLN  31   1.761  -1.238   9.112
  263   1HE2  GLN  31          1HE2      GLN  31   0.958  -4.458  10.381
  264   2HE2  GLN  31          2HE2      GLN  31  -0.487  -3.963  11.190
  265    H    ASP  32           H        ASP  32   3.979  -5.528   8.071
  266    HA   ASP  32           HA       ASP  32   5.423  -4.672  10.444
  267   1HB   ASP  32          1HB       ASP  32   4.097  -7.043   9.648
  268   2HB   ASP  32          2HB       ASP  32   5.788  -7.440   9.923
  269    H    LYS  33           H        LYS  33   6.046  -5.843   7.215
  270    HA   LYS  33           HA       LYS  33   8.895  -6.125   7.736
  271   1HB   LYS  33          1HB       LYS  33   7.040  -6.913   5.571
  272   2HB   LYS  33          2HB       LYS  33   8.678  -6.515   5.073
  273   1HG   LYS  33          1HG       LYS  33   9.515  -8.404   5.913
  274   2HG   LYS  33          2HG       LYS  33   8.566  -8.276   7.395
  275   1HD   LYS  33          1HD       LYS  33   6.569  -8.994   5.981
  276   2HD   LYS  33          2HD       LYS  33   7.749  -9.440   4.746
  277   1HE   LYS  33          1HE       LYS  33   7.562 -10.523   7.553
  278   2HE   LYS  33          2HE       LYS  33   7.193 -11.383   6.058
  279   1HZ   LYS  33          1HZ       LYS  33   9.865 -10.243   6.292
  280   2HZ   LYS  33          2HZ       LYS  33   9.367 -11.704   5.598
  281   3HZ   LYS  33          3HZ       LYS  33   9.523 -11.576   7.278
  282    H    GLU  34           H        GLU  34   6.816  -4.250   5.524
  283    HA   GLU  34           HA       GLU  34   9.044  -2.492   4.894
  284   1HB   GLU  34          1HB       GLU  34   6.275  -2.860   3.816
  285   2HB   GLU  34          2HB       GLU  34   7.146  -1.369   3.485
  286   1HG   GLU  34          1HG       GLU  34   8.453  -2.336   1.968
  287   2HG   GLU  34          2HG       GLU  34   8.741  -3.748   2.984
  288    H    GLY  35           H        GLY  35   6.645  -2.647   7.228
  289   1HA   GLY  35          1HA       GLY  35   6.044  -1.160   8.879
  290   2HA   GLY  35          2HA       GLY  35   7.309  -0.096   8.287
  291    H    ILE  36           H        ILE  36   4.872  -1.147   6.070
  292    HA   ILE  36           HA       ILE  36   3.715   1.560   6.132
  293    HB   ILE  36           HB       ILE  36   3.592  -0.352   3.808
  294   1HG1  ILE  36          1HG1      ILE  36   5.663   1.735   4.490
  295   2HG1  ILE  36          2HG1      ILE  36   5.921   0.032   4.123
  296   1HG2  ILE  36          1HG2      ILE  36   3.240   1.825   2.574
  297   2HG2  ILE  36          2HG2      ILE  36   3.039   2.583   4.155
  298   3HG2  ILE  36          3HG2      ILE  36   1.928   1.315   3.636
  299   1HD1  ILE  36          1HD1      ILE  36   5.030   0.552   1.808
  300   2HD1  ILE  36          2HD1      ILE  36   6.618   1.199   2.221
  301   3HD1  ILE  36          3HD1      ILE  36   5.203   2.252   2.243
  302    HA   PRO  37           HA       PRO  37   0.056  -0.509   7.695
  303   1HB   PRO  37          1HB       PRO  37  -1.151   2.143   7.186
  304   2HB   PRO  37          2HB       PRO  37  -1.077   1.211   8.684
  305   1HG   PRO  37          1HG       PRO  37   0.428   3.394   8.338
  306   2HG   PRO  37          2HG       PRO  37   1.044   1.979   9.212
  307   1HD   PRO  37          1HD       PRO  37   1.600   2.862   6.405
  308   2HD   PRO  37          2HD       PRO  37   2.711   2.187   7.616
  309    HA   PRO  38           HA       PRO  38  -2.139  -1.502   3.994
  310   1HB   PRO  38          1HB       PRO  38  -4.556  -2.201   5.038
  311   2HB   PRO  38          2HB       PRO  38  -3.122  -3.227   5.142
  312   1HG   PRO  38          1HG       PRO  38  -4.288  -1.384   7.192
  313   2HG   PRO  38          2HG       PRO  38  -3.633  -3.019   7.401
  314   1HD   PRO  38          1HD       PRO  38  -2.218  -0.802   8.030
  315   2HD   PRO  38          2HD       PRO  38  -1.447  -2.277   7.410
  316    H    ASP  39           H        ASP  39  -3.543   0.780   6.267
  317    HA   ASP  39           HA       ASP  39  -5.657   1.710   4.663
  318   1HB   ASP  39          1HB       ASP  39  -4.178   2.739   7.033
  319   2HB   ASP  39          2HB       ASP  39  -5.151   3.888   6.120
  320    H    GLN  40           H        GLN  40  -2.291   2.106   4.381
  321    HA   GLN  40           HA       GLN  40  -2.690   4.260   2.409
  322   1HB   GLN  40          1HB       GLN  40  -0.093   3.857   3.862
  323   2HB   GLN  40          2HB       GLN  40  -0.675   5.288   3.022
  324   1HG   GLN  40          1HG       GLN  40  -2.446   5.465   4.810
  325   2HG   GLN  40          2HG       GLN  40  -1.554   4.225   5.689
  326   1HE2  GLN  40          1HE2      GLN  40   1.016   5.245   4.670
  327   2HE2  GLN  40          2HE2      GLN  40   1.348   6.667   5.593
  328    H    GLN  41           H        GLN  41  -2.599   1.245   2.243
  329    HA   GLN  41           HA       GLN  41  -0.247   0.897   0.527
  330   1HB   GLN  41          1HB       GLN  41  -1.992  -0.936   2.083
  331   2HB   GLN  41          2HB       GLN  41  -1.312  -1.560   0.585
  332   1HG   GLN  41          1HG       GLN  41   0.940  -0.947   1.405
  333   2HG   GLN  41          2HG       GLN  41   0.211  -0.458   2.935
  334   1HE2  GLN  41          1HE2      GLN  41   0.233  -1.923   4.470
  335   2HE2  GLN  41          2HE2      GLN  41   0.304  -3.634   4.248
  336    H    ARG  42           H        ARG  42  -0.455   1.024  -1.603
  337    HA   ARG  42           HA       ARG  42  -3.120   0.584  -2.783
  338   1HB   ARG  42          1HB       ARG  42  -2.101   2.947  -2.843
  339   2HB   ARG  42          2HB       ARG  42  -0.980   2.293  -4.028
  340   1HG   ARG  42          1HG       ARG  42  -2.559   2.133  -5.645
  341   2HG   ARG  42          2HG       ARG  42  -3.865   1.828  -4.497
  342   1HD   ARG  42          1HD       ARG  42  -3.858   4.169  -3.839
  343   2HD   ARG  42          2HD       ARG  42  -2.510   4.487  -4.931
  344    HE   ARG  42           HE       ARG  42  -4.840   3.373  -6.210
  345   1HH1  ARG  42          1HH1      ARG  42  -4.023   7.290  -6.353
  346   2HH1  ARG  42          2HH1      ARG  42  -3.212   6.282  -5.202
  347   1HH2  ARG  42          1HH2      ARG  42  -5.914   4.691  -7.731
  348   2HH2  ARG  42          2HH2      ARG  42  -5.561   6.386  -7.791
  349    H    LEU  43           H        LEU  43  -2.808  -1.598  -3.222
  350    HA   LEU  43           HA       LEU  43  -0.519  -2.391  -4.838
  351   1HB   LEU  43          1HB       LEU  43  -2.793  -4.160  -3.977
  352   2HB   LEU  43          2HB       LEU  43  -1.165  -4.630  -4.431
  353    HG   LEU  43           HG       LEU  43  -2.008  -3.235  -1.893
  354   1HD1  LEU  43          1HD1      LEU  43  -0.819  -5.327  -0.967
  355   2HD1  LEU  43          2HD1      LEU  43  -1.060  -5.989  -2.583
  356   3HD1  LEU  43          3HD1      LEU  43  -2.450  -5.495  -1.617
  357   1HD2  LEU  43          1HD2      LEU  43   0.776  -4.133  -2.209
  358   2HD2  LEU  43          2HD2      LEU  43   0.125  -2.703  -1.409
  359   3HD2  LEU  43          3HD2      LEU  43   0.320  -2.720  -3.161
  360    H    ILE  44           H        ILE  44  -0.574  -2.756  -6.968
  361    HA   ILE  44           HA       ILE  44  -3.171  -2.996  -8.311
  362    HB   ILE  44           HB       ILE  44  -0.961  -1.157  -9.239
  363   1HG1  ILE  44          1HG1      ILE  44  -3.742  -0.449  -8.284
  364   2HG1  ILE  44          2HG1      ILE  44  -2.304  -0.345  -7.274
  365   1HG2  ILE  44          1HG2      ILE  44  -1.940  -1.078 -11.236
  366   2HG2  ILE  44          2HG2      ILE  44  -3.540  -0.874 -10.524
  367   3HG2  ILE  44          3HG2      ILE  44  -2.869  -2.492 -10.740
  368   1HD1  ILE  44          1HD1      ILE  44  -2.187   1.760  -7.976
  369   2HD1  ILE  44          2HD1      ILE  44  -3.287   1.467  -9.324
  370   3HD1  ILE  44          3HD1      ILE  44  -1.572   1.085  -9.485
  371    H    PHE  45           H        PHE  45  -2.826  -5.162  -8.744
  372    HA   PHE  45           HA       PHE  45  -0.387  -6.128  -9.887
  373   1HB   PHE  45          1HB       PHE  45  -1.713  -7.638  -8.557
  374   2HB   PHE  45          2HB       PHE  45  -3.117  -7.391  -9.592
  375    HD1  PHE  45           HD1      PHE  45  -3.600  -9.413 -10.593
  376    HD2  PHE  45           HD2      PHE  45   0.449  -8.088 -10.424
  377    HE1  PHE  45           HE1      PHE  45  -2.918 -11.333 -11.982
  378    HE2  PHE  45           HE2      PHE  45   1.140 -10.004 -11.812
  379    HZ   PHE  45           HZ       PHE  45  -0.545 -11.628 -12.593
  380    H    ALA  46           H        ALA  46   0.188  -5.479 -11.865
  381    HA   ALA  46           HA       ALA  46   0.117  -5.009 -14.094
  382   1HB   ALA  46          1HB       ALA  46  -0.601  -6.733 -15.369
  383   2HB   ALA  46          2HB       ALA  46  -2.178  -6.803 -14.582
  384   3HB   ALA  46          3HB       ALA  46  -0.771  -7.523 -13.800
  385    H    GLY  47           H        GLY  47  -1.739  -3.572 -12.204
  386   1HA   GLY  47          1HA       GLY  47  -2.854  -1.551 -12.939
  387   2HA   GLY  47          2HA       GLY  47  -3.504  -2.466 -14.291
  388    H    LYS  48           H        LYS  48  -3.820  -4.630 -11.990
  389    HA   LYS  48           HA       LYS  48  -6.578  -3.870 -11.442
  390   1HB   LYS  48          1HB       LYS  48  -5.124  -6.354 -11.740
  391   2HB   LYS  48          2HB       LYS  48  -6.060  -6.351 -10.251
  392   1HG   LYS  48          1HG       LYS  48  -8.031  -5.607 -11.673
  393   2HG   LYS  48          2HG       LYS  48  -7.043  -6.041 -13.068
  394   1HD   LYS  48          1HD       LYS  48  -6.843  -8.321 -12.240
  395   2HD   LYS  48          2HD       LYS  48  -7.770  -7.895 -10.800
  396   1HE   LYS  48          1HE       LYS  48  -8.985  -7.360 -13.459
  397   2HE   LYS  48          2HE       LYS  48  -8.899  -9.034 -12.910
  398   1HZ   LYS  48          1HZ       LYS  48  -9.944  -8.146 -10.778
  399   2HZ   LYS  48          2HZ       LYS  48 -10.940  -8.277 -12.138
  400   3HZ   LYS  48          3HZ       LYS  48 -10.335  -6.767 -11.678
  401    H    GLN  49           H        GLN  49  -6.905  -2.635  -9.715
  402    HA   GLN  49           HA       GLN  49  -5.124  -2.590  -7.476
  403   1HB   GLN  49          1HB       GLN  49  -7.086  -0.895  -8.521
  404   2HB   GLN  49          2HB       GLN  49  -7.713  -1.395  -6.957
  405   1HG   GLN  49          1HG       GLN  49  -5.022  -0.774  -6.524
  406   2HG   GLN  49          2HG       GLN  49  -5.647   0.494  -7.578
  407   1HE2  GLN  49          1HE2      GLN  49  -6.983   2.004  -6.760
  408   2HE2  GLN  49          2HE2      GLN  49  -7.511   2.056  -5.116
  409    H    LEU  50           H        LEU  50  -5.120  -3.948  -5.819
  410    HA   LEU  50           HA       LEU  50  -7.087  -5.963  -5.490
  411   1HB   LEU  50          1HB       LEU  50  -5.021  -5.103  -3.470
  412   2HB   LEU  50          2HB       LEU  50  -5.822  -6.658  -3.568
  413    HG   LEU  50           HG       LEU  50  -3.755  -5.546  -5.459
  414   1HD1  LEU  50          1HD1      LEU  50  -2.298  -6.756  -4.306
  415   2HD1  LEU  50          2HD1      LEU  50  -3.306  -8.196  -4.451
  416   3HD1  LEU  50          3HD1      LEU  50  -3.564  -7.069  -3.118
  417   1HD2  LEU  50          1HD2      LEU  50  -4.166  -8.091  -6.286
  418   2HD2  LEU  50          2HD2      LEU  50  -4.890  -6.670  -7.041
  419   3HD2  LEU  50          3HD2      LEU  50  -5.809  -7.608  -5.863
  420    H    GLU  51           H        GLU  51  -8.728  -6.182  -4.028
  421    HA   GLU  51           HA       GLU  51  -9.428  -3.758  -2.510
  422   1HB   GLU  51          1HB       GLU  51 -11.095  -5.807  -3.927
  423   2HB   GLU  51          2HB       GLU  51 -11.779  -4.897  -2.589
  424   1HG   GLU  51          1HG       GLU  51 -11.872  -2.969  -3.760
  425   2HG   GLU  51          2HG       GLU  51 -10.414  -3.331  -4.684
  426    H    ASP  52           H        ASP  52  -9.717  -3.879  -0.362
  427    HA   ASP  52           HA       ASP  52  -8.728  -5.987   1.136
  428   1HB   ASP  52          1HB       ASP  52 -10.250  -4.839   2.970
  429   2HB   ASP  52          2HB       ASP  52  -8.810  -4.040   2.354
  430    H    GLY  53           H        GLY  53  -9.686  -7.637   2.341
  431   1HA   GLY  53          1HA       GLY  53 -11.413  -9.039   3.060
  432   2HA   GLY  53          2HA       GLY  53 -12.546  -8.099   2.101
  433    H    ARG  54           H        ARG  54 -10.434  -8.452  -0.157
  434    HA   ARG  54           HA       ARG  54 -11.654 -10.882  -1.190
  435   1HB   ARG  54          1HB       ARG  54  -9.740  -8.999  -2.577
  436   2HB   ARG  54          2HB       ARG  54 -10.751 -10.224  -3.332
  437   1HG   ARG  54          1HG       ARG  54 -12.320  -8.365  -1.767
  438   2HG   ARG  54          2HG       ARG  54 -11.357  -7.545  -2.998
  439   1HD   ARG  54          1HD       ARG  54 -13.093  -8.051  -4.336
  440   2HD   ARG  54          2HD       ARG  54 -12.308  -9.627  -4.428
  441    HE   ARG  54           HE       ARG  54 -13.963  -9.740  -2.230
  442   1HH1  ARG  54          1HH1      ARG  54 -15.927  -9.840  -5.717
  443   2HH1  ARG  54          2HH1      ARG  54 -14.330  -9.175  -5.648
  444   1HH2  ARG  54          1HH2      ARG  54 -16.067 -10.616  -2.311
  445   2HH2  ARG  54          2HH2      ARG  54 -16.916 -10.659  -3.821
  446    H    THR  55           H        THR  55 -10.475 -12.656  -1.986
  447    HA   THR  55           HA       THR  55  -7.987 -13.123  -0.552
  448    HB   THR  55           HB       THR  55  -8.265 -15.449  -1.181
  449    HG1  THR  55           HG1      THR  55 -10.100 -16.025  -2.469
  450   1HG2  THR  55          1HG2      THR  55 -11.056 -15.199  -0.649
  451   2HG2  THR  55          2HG2      THR  55 -10.159 -14.051   0.344
  452   3HG2  THR  55          3HG2      THR  55  -9.764 -15.769   0.406
  453    H    LEU  56           H        LEU  56  -6.234 -14.338  -1.732
  454    HA   LEU  56           HA       LEU  56  -5.314 -12.771  -3.903
  455   1HB   LEU  56          1HB       LEU  56  -4.260 -15.461  -3.042
  456   2HB   LEU  56          2HB       LEU  56  -3.396 -14.219  -3.928
  457    HG   LEU  56           HG       LEU  56  -4.115 -14.298  -1.021
  458   1HD1  LEU  56          1HD1      LEU  56  -1.965 -14.849  -0.929
  459   2HD1  LEU  56          2HD1      LEU  56  -1.597 -13.202  -1.440
  460   3HD1  LEU  56          3HD1      LEU  56  -1.732 -14.489  -2.639
  461   1HD2  LEU  56          1HD2      LEU  56  -4.928 -12.154  -1.671
  462   2HD2  LEU  56          2HD2      LEU  56  -3.506 -11.851  -2.668
  463   3HD2  LEU  56          3HD2      LEU  56  -3.354 -11.915  -0.913
  464    H    SER  57           H        SER  57  -6.415 -16.149  -3.715
  465    HA   SER  57           HA       SER  57  -6.142 -16.753  -6.435
  466   1HB   SER  57          1HB       SER  57  -6.829 -18.183  -4.234
  467   2HB   SER  57          2HB       SER  57  -8.401 -18.033  -5.020
  468    HG   SER  57           HG       SER  57  -6.951 -18.676  -6.974
  469    H    ASP  58           H        ASP  58  -8.585 -14.992  -4.710
  470    HA   ASP  58           HA       ASP  58 -10.754 -15.195  -6.425
  471   1HB   ASP  58          1HB       ASP  58  -9.796 -13.088  -4.534
  472   2HB   ASP  58          2HB       ASP  58 -11.140 -12.715  -5.610
  473    H    TYR  59           H        TYR  59  -7.871 -13.194  -6.671
  474    HA   TYR  59           HA       TYR  59  -8.877 -11.925  -9.098
  475   1HB   TYR  59          1HB       TYR  59  -6.355 -11.508  -7.484
  476   2HB   TYR  59          2HB       TYR  59  -6.707 -10.653  -8.983
  477    HD1  TYR  59           HD1      TYR  59  -6.902 -10.468  -5.497
  478    HD2  TYR  59           HD2      TYR  59  -9.105  -9.477  -9.010
  479    HE1  TYR  59           HE1      TYR  59  -8.154  -8.770  -4.226
  480    HE2  TYR  59           HE2      TYR  59 -10.363  -7.775  -7.748
  481    HH   TYR  59           HH       TYR  59 -10.850  -7.010  -5.667
  482    H    ASN  60           H        ASN  60  -8.064 -14.832  -8.825
  483    HA   ASN  60           HA       ASN  60  -6.795 -16.407  -9.910
  484   1HB   ASN  60          1HB       ASN  60  -6.672 -15.756 -12.474
  485   2HB   ASN  60          2HB       ASN  60  -8.200 -16.194 -11.718
  486   1HD2  ASN  60          1HD2      ASN  60  -9.822 -14.782 -11.767
  487   2HD2  ASN  60          2HD2      ASN  60  -9.705 -13.149 -12.317
  488    H    LEU  61           H        LEU  61  -4.900 -15.590  -8.619
  489    HA   LEU  61           HA       LEU  61  -2.917 -14.144 -10.196
  490   1HB   LEU  61          1HB       LEU  61  -3.242 -14.849  -7.325
  491   2HB   LEU  61          2HB       LEU  61  -1.611 -14.631  -7.927
  492    HG   LEU  61           HG       LEU  61  -2.861 -12.620  -6.864
  493   1HD1  LEU  61          1HD1      LEU  61  -1.819 -11.645  -9.391
  494   2HD1  LEU  61          2HD1      LEU  61  -0.777 -12.860  -8.651
  495   3HD1  LEU  61          3HD1      LEU  61  -1.216 -11.409  -7.751
  496   1HD2  LEU  61          1HD2      LEU  61  -4.472 -11.543  -8.028
  497   2HD2  LEU  61          2HD2      LEU  61  -4.765 -13.161  -8.665
  498   3HD2  LEU  61          3HD2      LEU  61  -3.808 -12.008  -9.594
  499    H    GLN  62           H        GLN  62  -0.559 -15.066  -9.678
  500    HA   GLN  62           HA       GLN  62  -0.515 -17.973  -9.951
  501   1HB   GLN  62          1HB       GLN  62   0.660 -16.059 -11.972
  502   2HB   GLN  62          2HB       GLN  62   1.054 -17.770 -11.900
  503   1HG   GLN  62          1HG       GLN  62  -1.698 -16.640 -12.353
  504   2HG   GLN  62          2HG       GLN  62  -0.624 -17.255 -13.609
  505   1HE2  GLN  62          1HE2      GLN  62  -0.058 -19.504 -13.548
  506   2HE2  GLN  62          2HE2      GLN  62  -1.147 -20.649 -12.849
  507    H    LYS  63           H        LYS  63   1.735 -18.834  -9.853
  508    HA   LYS  63           HA       LYS  63   3.104 -17.717  -7.639
  509   1HB   LYS  63          1HB       LYS  63   3.133 -20.154  -9.069
  510   2HB   LYS  63          2HB       LYS  63   4.777 -19.532  -9.106
  511   1HG   LYS  63          1HG       LYS  63   4.974 -19.578  -6.782
  512   2HG   LYS  63          2HG       LYS  63   3.228 -19.685  -6.547
  513   1HD   LYS  63          1HD       LYS  63   3.475 -21.891  -6.375
  514   2HD   LYS  63          2HD       LYS  63   3.882 -21.910  -8.091
  515   1HE   LYS  63          1HE       LYS  63   6.041 -22.328  -7.684
  516   2HE   LYS  63          2HE       LYS  63   6.117 -21.130  -6.392
  517   1HZ   LYS  63          1HZ       LYS  63   6.230 -22.842  -5.003
  518   2HZ   LYS  63          2HZ       LYS  63   5.853 -23.961  -6.213
  519   3HZ   LYS  63          3HZ       LYS  63   4.613 -23.181  -5.369
  520    H    GLU  64           H        GLU  64   4.945 -16.516  -7.506
  521    HA   GLU  64           HA       GLU  64   6.595 -15.075  -8.125
  522   1HB   GLU  64          1HB       GLU  64   6.613 -16.694 -10.680
  523   2HB   GLU  64          2HB       GLU  64   7.869 -15.575 -10.165
  524   1HG   GLU  64          1HG       GLU  64   8.147 -17.018  -8.118
  525   2HG   GLU  64          2HG       GLU  64   7.104 -18.195  -8.916
  526    H    SER  65           H        SER  65   4.682 -13.579  -8.147
  527    HA   SER  65           HA       SER  65   4.303 -12.460 -10.849
  528   1HB   SER  65          1HB       SER  65   2.382 -12.873  -8.600
  529   2HB   SER  65          2HB       SER  65   2.166 -11.457  -9.629
  530    HG   SER  65           HG       SER  65   2.183 -14.184 -10.396
  531    H    THR  66           H        THR  66   3.790 -10.094 -10.832
  532    HA   THR  66           HA       THR  66   5.432  -8.736  -8.799
  533    HB   THR  66           HB       THR  66   4.895  -7.960 -11.673
  534    HG1  THR  66           HG1      THR  66   6.639  -9.612 -10.698
  535   1HG2  THR  66          1HG2      THR  66   5.156  -5.909 -10.594
  536   2HG2  THR  66          2HG2      THR  66   6.763  -6.298 -11.208
  537   3HG2  THR  66          3HG2      THR  66   6.389  -6.539  -9.502
  538    H    ILE  67           H        ILE  67   4.582  -7.079  -7.663
  539    HA   ILE  67           HA       ILE  67   1.900  -6.131  -8.428
  540    HB   ILE  67           HB       ILE  67   2.875  -6.800  -5.651
  541   1HG1  ILE  67          1HG1      ILE  67   0.535  -7.861  -7.251
  542   2HG1  ILE  67          2HG1      ILE  67   2.069  -8.698  -7.039
  543   1HG2  ILE  67          1HG2      ILE  67   0.387  -6.143  -5.154
  544   2HG2  ILE  67          2HG2      ILE  67   0.581  -5.152  -6.601
  545   3HG2  ILE  67          3HG2      ILE  67   1.648  -4.909  -5.217
  546   1HD1  ILE  67          1HD1      ILE  67   0.977  -9.710  -5.367
  547   2HD1  ILE  67          2HD1      ILE  67  -0.194  -8.402  -5.198
  548   3HD1  ILE  67          3HD1      ILE  67   1.405  -8.254  -4.470
  549    H    HIS  68           H        HIS  68   1.634  -3.986  -8.470
  550    HA   HIS  68           HA       HIS  68   3.908  -2.311  -7.743
  551   1HB   HIS  68          1HB       HIS  68   1.370  -1.380  -9.077
  552   2HB   HIS  68          2HB       HIS  68   2.967  -0.642  -9.132
  553    HD1  HIS  68           HD1      HIS  68   1.637  -1.150 -11.768
  554    HD2  HIS  68           HD2      HIS  68   4.024  -3.983  -9.886
  555    HE1  HIS  68           HE1      HIS  68   2.415  -2.693 -13.594
  556    HE2  HIS  68           HE2      HIS  68   3.763  -4.463 -12.414
  557    H    LEU  69           H        LEU  69   3.978  -1.464  -5.778
  558    HA   LEU  69           HA       LEU  69   1.462  -0.926  -4.362
  559   1HB   LEU  69          1HB       LEU  69   3.224  -2.416  -3.334
  560   2HB   LEU  69          2HB       LEU  69   4.242  -0.995  -3.201
  561    HG   LEU  69           HG       LEU  69   1.506  -0.981  -1.982
  562   1HD1  LEU  69          1HD1      LEU  69   3.968  -2.046  -0.610
  563   2HD1  LEU  69          2HD1      LEU  69   2.667  -3.056  -1.244
  564   3HD1  LEU  69          3HD1      LEU  69   2.341  -1.912   0.059
  565   1HD2  LEU  69          1HD2      LEU  69   2.831   0.451  -0.325
  566   2HD2  LEU  69          2HD2      LEU  69   2.509   1.125  -1.923
  567   3HD2  LEU  69          3HD2      LEU  69   4.100   0.461  -1.551
  568    H    VAL  70           H        VAL  70   0.843   1.082  -3.881
  569    HA   VAL  70           HA       VAL  70   2.804   3.257  -4.112
  570    HB   VAL  70           HB       VAL  70   0.227   4.192  -4.964
  571   1HG1  VAL  70          1HG1      VAL  70   2.497   5.200  -5.326
  572   2HG1  VAL  70          2HG1      VAL  70   1.468   5.138  -6.758
  573   3HG1  VAL  70          3HG1      VAL  70   2.771   3.966  -6.557
  574   1HG2  VAL  70          1HG2      VAL  70   0.296   2.986  -7.212
  575   2HG2  VAL  70          2HG2      VAL  70  -0.348   2.091  -5.837
  576   3HG2  VAL  70          3HG2      VAL  70   1.293   1.779  -6.400
  577    H    LEU  71           H        LEU  71   2.543   4.939  -2.704
  578    HA   LEU  71           HA       LEU  71   0.886   4.435  -0.402
  579   1HB   LEU  71          1HB       LEU  71   3.260   5.860  -0.928
  580   2HB   LEU  71          2HB       LEU  71   2.088   7.046  -0.388
  581    HG   LEU  71           HG       LEU  71   1.777   5.015   1.444
  582   1HD1  LEU  71          1HD1      LEU  71   4.712   5.309   0.822
  583   2HD1  LEU  71          2HD1      LEU  71   3.742   3.854   0.592
  584   3HD1  LEU  71          3HD1      LEU  71   4.032   4.474   2.218
  585   1HD2  LEU  71          1HD2      LEU  71   1.748   7.127   2.310
  586   2HD2  LEU  71          2HD2      LEU  71   3.163   7.643   1.391
  587   3HD2  LEU  71          3HD2      LEU  71   3.360   6.616   2.810
  588    H    ARG  72           H        ARG  72  -0.980   5.416   0.160
  589    HA   ARG  72           HA       ARG  72  -2.672   6.549  -1.670
  590   1HB   ARG  72          1HB       ARG  72  -4.137   6.895   0.062
  591   2HB   ARG  72          2HB       ARG  72  -3.025   5.768   0.826
  592   1HG   ARG  72          1HG       ARG  72  -3.010   8.765   1.132
  593   2HG   ARG  72          2HG       ARG  72  -3.569   7.590   2.325
  594   1HD   ARG  72          1HD       ARG  72  -1.500   7.288   3.083
  595   2HD   ARG  72          2HD       ARG  72  -0.905   6.945   1.459
  596    HE   ARG  72           HE       ARG  72   0.083   8.988   1.545
  597   1HH1  ARG  72          1HH1      ARG  72  -2.642  10.788   3.862
  598   2HH1  ARG  72          2HH1      ARG  72  -2.842   9.121   3.433
  599   1HH2  ARG  72          1HH2      ARG  72   0.355  11.182   2.104
  600   2HH2  ARG  72          2HH2      ARG  72  -0.825  11.960   3.105
  601    H    LEU  73           H        LEU  73  -3.350   8.656  -2.166
  602    HA   LEU  73           HA       LEU  73  -1.399  10.760  -1.487
  603   1HB   LEU  73          1HB       LEU  73  -2.196   9.768  -4.029
  604   2HB   LEU  73          2HB       LEU  73  -2.818  11.400  -3.878
  605    HG   LEU  73           HG       LEU  73   0.054  10.826  -3.242
  606   1HD1  LEU  73          1HD1      LEU  73  -0.507  11.782  -5.955
  607   2HD1  LEU  73          2HD1      LEU  73  -0.953  10.102  -5.657
  608   3HD1  LEU  73          3HD1      LEU  73   0.704  10.637  -5.379
  609   1HD2  LEU  73          1HD2      LEU  73  -0.113  13.241  -4.486
  610   2HD2  LEU  73          2HD2      LEU  73  -0.158  12.997  -2.741
  611   3HD2  LEU  73          3HD2      LEU  73  -1.663  13.161  -3.646
  612    H    ARG  74           H        ARG  74  -4.101   9.888  -0.353
  613    HA   ARG  74           HA       ARG  74  -5.038  12.475   0.289
  614   1HB   ARG  74          1HB       ARG  74  -7.328  12.213  -0.743
  615   2HB   ARG  74          2HB       ARG  74  -6.026  12.566  -1.869
  616   1HG   ARG  74          1HG       ARG  74  -6.024  10.404  -2.735
  617   2HG   ARG  74          2HG       ARG  74  -6.906   9.751  -1.354
  618   1HD   ARG  74          1HD       ARG  74  -8.098  11.774  -3.231
  619   2HD   ARG  74          2HD       ARG  74  -8.214  10.038  -3.511
  620    HE   ARG  74           HE       ARG  74  -9.733  11.574  -1.657
  621   1HH1  ARG  74          1HH1      ARG  74  -9.432   7.613  -1.161
  622   2HH1  ARG  74          2HH1      ARG  74  -8.309   8.441  -2.187
  623   1HH2  ARG  74          1HH2      ARG  74 -11.218  10.495  -0.304
  624   2HH2  ARG  74          2HH2      ARG  74 -11.088   8.781  -0.092
  625    H    GLY  75           H        GLY  75  -6.078  12.387   2.191
  626   1HA   GLY  75          1HA       GLY  75  -7.878  10.366   2.976
  627   2HA   GLY  75          2HA       GLY  75  -6.290   9.995   3.630
  628    H    GLY  76           H        GLY  76  -7.932  13.115   3.175
  629   1HA   GLY  76          1HA       GLY  76  -8.983  13.729   5.543
  630   2HA   GLY  76          2HA       GLY  76  -7.271  13.816   5.925
  Start of MODEL    3
    1   1H    MET   1          1H        MET   1   2.787 -20.257  -1.559
    2   2H    MET   1          2H        MET   1   4.496 -20.202  -1.699
    3   3H    MET   1          3H        MET   1   3.595 -21.348  -2.605
    4    HA   MET   1           HA       MET   1   4.018 -19.798  -4.158
    5   1HB   MET   1          1HB       MET   1   1.698 -20.136  -4.246
    6   2HB   MET   1          2HB       MET   1   1.418 -19.244  -2.758
    7   1HG   MET   1          1HG       MET   1   1.461 -17.220  -3.793
    8   2HG   MET   1          2HG       MET   1   2.556 -17.766  -5.061
    9   1HE   MET   1          1HE       MET   1  -0.320 -15.960  -5.813
   10   2HE   MET   1          2HE       MET   1  -0.576 -16.545  -4.170
   11   3HE   MET   1          3HE       MET   1  -1.716 -16.972  -5.445
   12    H    GLN   2           H        GLN   2   5.566 -18.299  -4.203
   13    HA   GLN   2           HA       GLN   2   5.637 -16.176  -2.223
   14   1HB   GLN   2          1HB       GLN   2   7.531 -17.403  -4.095
   15   2HB   GLN   2          2HB       GLN   2   7.680 -15.653  -3.990
   16   1HG   GLN   2          1HG       GLN   2   9.078 -16.191  -2.308
   17   2HG   GLN   2          2HG       GLN   2   7.575 -16.214  -1.387
   18   1HE2  GLN   2          1HE2      GLN   2   9.614 -17.576  -0.366
   19   2HE2  GLN   2          2HE2      GLN   2   9.389 -19.279  -0.548
   20    H    LEU   3           H        LEU   3   5.942 -13.917  -2.886
   21    HA   LEU   3           HA       LEU   3   4.880 -13.216  -5.510
   22   1HB   LEU   3          1HB       LEU   3   3.653 -12.159  -2.963
   23   2HB   LEU   3          2HB       LEU   3   3.188 -11.732  -4.599
   24    HG   LEU   3           HG       LEU   3   2.958 -14.535  -3.520
   25   1HD1  LEU   3          1HD1      LEU   3   1.590 -13.082  -2.142
   26   2HD1  LEU   3          2HD1      LEU   3   0.574 -14.062  -3.197
   27   3HD1  LEU   3          3HD1      LEU   3   0.866 -12.366  -3.582
   28   1HD2  LEU   3          1HD2      LEU   3   1.239 -14.626  -5.388
   29   2HD2  LEU   3          2HD2      LEU   3   2.934 -14.562  -5.872
   30   3HD2  LEU   3          3HD2      LEU   3   1.937 -13.110  -5.960
   31    H    PHE   4           H        PHE   4   5.602 -11.278  -6.280
   32    HA   PHE   4           HA       PHE   4   7.599  -9.910  -4.622
   33   1HB   PHE   4          1HB       PHE   4   7.177  -9.929  -7.616
   34   2HB   PHE   4          2HB       PHE   4   8.394  -8.959  -6.795
   35    HD1  PHE   4           HD1      PHE   4  10.526  -9.796  -6.745
   36    HD2  PHE   4           HD2      PHE   4   7.243 -12.515  -6.890
   37    HE1  PHE   4           HE1      PHE   4  12.103 -11.688  -6.846
   38    HE2  PHE   4           HE2      PHE   4   8.814 -14.412  -6.990
   39    HZ   PHE   4           HZ       PHE   4  11.246 -13.999  -6.968
   40    H    VAL   5           H        VAL   5   7.218  -7.937  -3.860
   41    HA   VAL   5           HA       VAL   5   5.016  -6.382  -5.055
   42    HB   VAL   5           HB       VAL   5   5.908  -6.285  -2.172
   43   1HG1  VAL   5          1HG1      VAL   5   3.514  -5.216  -2.074
   44   2HG1  VAL   5          2HG1      VAL   5   3.832  -4.868  -3.774
   45   3HG1  VAL   5          3HG1      VAL   5   4.915  -4.245  -2.528
   46   1HG2  VAL   5          1HG2      VAL   5   3.918  -7.976  -3.572
   47   2HG2  VAL   5          2HG2      VAL   5   3.451  -7.305  -2.009
   48   3HG2  VAL   5          3HG2      VAL   5   4.891  -8.317  -2.140
   49    H    LYS   6           H        LYS   6   6.117  -5.011  -6.369
   50    HA   LYS   6           HA       LYS   6   8.455  -3.599  -5.338
   51   1HB   LYS   6          1HB       LYS   6   8.297  -2.610  -7.777
   52   2HB   LYS   6          2HB       LYS   6   8.948  -4.219  -7.494
   53   1HG   LYS   6          1HG       LYS   6   6.851  -5.227  -8.122
   54   2HG   LYS   6          2HG       LYS   6   6.101  -3.638  -8.283
   55   1HD   LYS   6          1HD       LYS   6   8.443  -4.606  -9.918
   56   2HD   LYS   6          2HD       LYS   6   6.762  -4.636 -10.454
   57   1HE   LYS   6          1HE       LYS   6   6.623  -2.248 -10.362
   58   2HE   LYS   6          2HE       LYS   6   8.207  -2.135  -9.596
   59   1HZ   LYS   6          1HZ       LYS   6   8.736  -3.490 -11.872
   60   2HZ   LYS   6          2HZ       LYS   6   8.945  -1.825 -11.664
   61   3HZ   LYS   6          3HZ       LYS   6   7.531  -2.416 -12.378
   62    H    THR   7           H        THR   7   8.534  -1.432  -4.948
   63    HA   THR   7           HA       THR   7   5.950  -0.049  -4.865
   64    HB   THR   7           HB       THR   7   6.915   1.410  -3.227
   65    HG1  THR   7           HG1      THR   7   9.160   1.131  -2.661
   66   1HG2  THR   7          1HG2      THR   7   6.367  -0.374  -1.943
   67   2HG2  THR   7          2HG2      THR   7   8.110  -0.360  -1.674
   68   3HG2  THR   7          3HG2      THR   7   7.407  -1.482  -2.838
   69    H    LEU   8           H        LEU   8   6.860   2.576  -4.761
   70    HA   LEU   8           HA       LEU   8   7.318   3.067  -7.571
   71   1HB   LEU   8          1HB       LEU   8   6.366   4.585  -5.257
   72   2HB   LEU   8          2HB       LEU   8   7.384   5.522  -6.334
   73    HG   LEU   8           HG       LEU   8   4.972   3.978  -7.277
   74   1HD1  LEU   8          1HD1      LEU   8   3.648   5.546  -6.444
   75   2HD1  LEU   8          2HD1      LEU   8   4.539   6.778  -7.338
   76   3HD1  LEU   8          3HD1      LEU   8   5.039   6.339  -5.704
   77   1HD2  LEU   8          1HD2      LEU   8   7.076   5.472  -8.569
   78   2HD2  LEU   8          2HD2      LEU   8   5.491   6.159  -8.920
   79   3HD2  LEU   8          3HD2      LEU   8   5.813   4.462  -9.274
   80    H    THR   9           H        THR   9   9.250   2.672  -4.843
   81    HA   THR   9           HA       THR   9  11.377   4.431  -5.766
   82    HB   THR   9           HB       THR   9  12.448   4.024  -3.715
   83    HG1  THR   9           HG1      THR   9  10.994   1.627  -3.738
   84   1HG2  THR   9          1HG2      THR   9  10.266   3.671  -2.106
   85   2HG2  THR   9          2HG2      THR   9   9.566   4.366  -3.568
   86   3HG2  THR   9          3HG2      THR   9  10.858   5.214  -2.720
   87    H    GLY  10           H        GLY  10  10.530   1.045  -5.721
   88   1HA   GLY  10          1HA       GLY  10  11.504  -0.281  -7.556
   89   2HA   GLY  10          2HA       GLY  10  13.044   0.469  -7.165
   90    H    LYS  11           H        LYS  11  11.153  -0.300  -4.446
   91    HA   LYS  11           HA       LYS  11  13.003  -2.438  -3.751
   92   1HB   LYS  11          1HB       LYS  11  11.044  -0.760  -2.227
   93   2HB   LYS  11          2HB       LYS  11  11.612  -2.276  -1.537
   94   1HG   LYS  11          1HG       LYS  11  13.895  -1.511  -1.614
   95   2HG   LYS  11          2HG       LYS  11  13.404  -0.032  -2.443
   96   1HD   LYS  11          1HD       LYS  11  12.977   0.963  -0.502
   97   2HD   LYS  11          2HD       LYS  11  11.873  -0.335  -0.043
   98   1HE   LYS  11          1HE       LYS  11  13.423  -0.478   1.642
   99   2HE   LYS  11          2HE       LYS  11  14.096  -1.620   0.480
  100   1HZ   LYS  11          1HZ       LYS  11  15.803  -0.227  -0.045
  101   2HZ   LYS  11          2HZ       LYS  11  15.571   0.229   1.566
  102   3HZ   LYS  11          3HZ       LYS  11  14.939   1.181   0.321
  103    H    THR  12           H        THR  12  12.494  -4.413  -4.427
  104    HA   THR  12           HA       THR  12   9.678  -5.197  -4.601
  105    HB   THR  12           HB       THR  12  12.090  -6.729  -5.576
  106    HG1  THR  12           HG1      THR  12  11.567  -4.488  -6.481
  107   1HG2  THR  12          1HG2      THR  12  10.196  -8.153  -5.504
  108   2HG2  THR  12          2HG2      THR  12  10.437  -7.674  -7.184
  109   3HG2  THR  12          3HG2      THR  12   9.165  -6.917  -6.225
  110    H    LEU  13           H        LEU  13   8.828  -6.174  -2.897
  111    HA   LEU  13           HA       LEU  13  10.555  -7.641  -1.051
  112   1HB   LEU  13          1HB       LEU  13   7.988  -6.230  -0.864
  113   2HB   LEU  13          2HB       LEU  13   8.035  -7.744   0.018
  114    HG   LEU  13           HG       LEU  13   8.662  -5.603   1.278
  115   1HD1  LEU  13          1HD1      LEU  13   9.164  -8.087   1.848
  116   2HD1  LEU  13          2HD1      LEU  13   9.985  -6.803   2.738
  117   3HD1  LEU  13          3HD1      LEU  13  10.826  -7.655   1.443
  118   1HD2  LEU  13          1HD2      LEU  13  10.127  -4.709  -0.500
  119   2HD2  LEU  13          2HD2      LEU  13  11.256  -6.029  -0.195
  120   3HD2  LEU  13          3HD2      LEU  13  10.936  -4.836   1.063
  121    H    THR  14           H        THR  14  10.520  -9.800  -0.827
  122    HA   THR  14           HA       THR  14   8.619 -11.298  -2.499
  123    HB   THR  14           HB       THR  14  11.406 -11.932  -1.545
  124    HG1  THR  14           HG1      THR  14  11.851 -11.410  -3.509
  125   1HG2  THR  14          1HG2      THR  14  10.019 -13.953  -1.269
  126   2HG2  THR  14          2HG2      THR  14  11.259 -14.116  -2.513
  127   3HG2  THR  14          3HG2      THR  14   9.579 -13.844  -2.974
  128    H    VAL  15           H        VAL  15   6.908 -11.584  -1.130
  129    HA   VAL  15           HA       VAL  15   7.418 -12.730   1.518
  130    HB   VAL  15           HB       VAL  15   4.844 -12.419   1.696
  131   1HG1  VAL  15          1HG1      VAL  15   6.403 -11.132   3.002
  132   2HG1  VAL  15          2HG1      VAL  15   5.164 -10.052   2.363
  133   3HG1  VAL  15          3HG1      VAL  15   6.764 -10.095   1.622
  134   1HG2  VAL  15          1HG2      VAL  15   3.740 -11.181   0.161
  135   2HG2  VAL  15          2HG2      VAL  15   5.002 -11.786  -0.912
  136   3HG2  VAL  15          3HG2      VAL  15   5.144 -10.178  -0.201
  137    H    GLU  16           H        GLU  16   6.076 -14.529   2.249
  138    HA   GLU  16           HA       GLU  16   5.420 -16.369   0.041
  139   1HB   GLU  16          1HB       GLU  16   6.078 -17.418   2.749
  140   2HB   GLU  16          2HB       GLU  16   6.364 -18.134   1.170
  141   1HG   GLU  16          1HG       GLU  16   8.494 -17.591   1.579
  142   2HG   GLU  16          2HG       GLU  16   7.995 -15.989   1.040
  143    H    LEU  17           H        LEU  17   3.294 -16.580  -0.159
  144    HA   LEU  17           HA       LEU  17   1.696 -17.132   2.220
  145   1HB   LEU  17          1HB       LEU  17   0.959 -15.013   0.199
  146   2HB   LEU  17          2HB       LEU  17  -0.067 -15.569   1.507
  147    HG   LEU  17           HG       LEU  17   2.594 -14.550   2.300
  148   1HD1  LEU  17          1HD1      LEU  17   1.941 -12.226   2.113
  149   2HD1  LEU  17          2HD1      LEU  17   0.424 -12.691   1.341
  150   3HD1  LEU  17          3HD1      LEU  17   1.957 -12.981   0.519
  151   1HD2  LEU  17          1HD2      LEU  17   1.279 -15.087   4.111
  152   2HD2  LEU  17          2HD2      LEU  17  -0.206 -14.545   3.329
  153   3HD2  LEU  17          3HD2      LEU  17   0.950 -13.362   3.940
  154    H    GLU  18           H        GLU  18  -0.692 -17.570   1.401
  155    HA   GLU  18           HA       GLU  18  -0.439 -19.390  -0.900
  156   1HB   GLU  18          1HB       GLU  18  -2.476 -19.580   1.319
  157   2HB   GLU  18          2HB       GLU  18  -2.106 -20.790   0.098
  158   1HG   GLU  18          1HG       GLU  18   0.133 -19.959   1.826
  159   2HG   GLU  18          2HG       GLU  18  -1.163 -20.870   2.601
  160    HA   PRO  19           HA       PRO  19  -3.449 -17.240  -3.263
  161   1HB   PRO  19          1HB       PRO  19  -5.091 -19.320  -4.063
  162   2HB   PRO  19          2HB       PRO  19  -3.563 -18.885  -4.835
  163   1HG   PRO  19          1HG       PRO  19  -4.131 -21.021  -2.822
  164   2HG   PRO  19          2HG       PRO  19  -3.075 -21.072  -4.246
  165   1HD   PRO  19          1HD       PRO  19  -2.074 -20.775  -1.778
  166   2HD   PRO  19          2HD       PRO  19  -1.362 -19.931  -3.169
  167    H    SER  20           H        SER  20  -4.479 -19.334  -0.684
  168    HA   SER  20           HA       SER  20  -7.211 -18.476  -0.666
  169   1HB   SER  20          1HB       SER  20  -7.392 -19.716   1.414
  170   2HB   SER  20          2HB       SER  20  -6.461 -20.666   0.256
  171    HG   SER  20           HG       SER  20  -5.634 -20.418   2.517
  172    H    ASP  21           H        ASP  21  -4.251 -17.510   0.963
  173    HA   ASP  21           HA       ASP  21  -5.149 -15.967   3.028
  174   1HB   ASP  21          1HB       ASP  21  -2.892 -15.342   1.112
  175   2HB   ASP  21          2HB       ASP  21  -3.140 -14.533   2.657
  176    H    THR  22           H        THR  22  -5.750 -13.794   3.302
  177    HA   THR  22           HA       THR  22  -7.078 -12.649   0.956
  178    HB   THR  22           HB       THR  22  -8.421 -11.376   2.509
  179    HG1  THR  22           HG1      THR  22  -6.357 -11.737   4.140
  180   1HG2  THR  22          1HG2      THR  22  -9.695 -13.168   2.717
  181   2HG2  THR  22          2HG2      THR  22  -8.813 -13.555   4.195
  182   3HG2  THR  22          3HG2      THR  22  -8.295 -14.239   2.654
  183    H    VAL  23           H        VAL  23  -6.988 -10.340   0.591
  184    HA   VAL  23           HA       VAL  23  -4.476  -9.294   0.322
  185    HB   VAL  23           HB       VAL  23  -6.982  -7.674   0.807
  186   1HG1  VAL  23          1HG1      VAL  23  -4.479  -6.920  -0.693
  187   2HG1  VAL  23          2HG1      VAL  23  -4.841  -6.421   0.959
  188   3HG1  VAL  23          3HG1      VAL  23  -5.877  -5.895  -0.368
  189   1HG2  VAL  23          1HG2      VAL  23  -7.720  -8.292  -1.197
  190   2HG2  VAL  23          2HG2      VAL  23  -6.434  -9.498  -1.243
  191   3HG2  VAL  23          3HG2      VAL  23  -6.171  -7.901  -1.944
  192    H    GLU  24           H        GLU  24  -6.577  -9.164   3.123
  193    HA   GLU  24           HA       GLU  24  -5.259  -7.198   4.607
  194   1HB   GLU  24          1HB       GLU  24  -6.634  -9.671   5.673
  195   2HB   GLU  24          2HB       GLU  24  -6.309  -8.193   6.568
  196   1HG   GLU  24          1HG       GLU  24  -8.091  -7.142   5.723
  197   2HG   GLU  24          2HG       GLU  24  -7.833  -7.792   4.105
  198    H    ASN  25           H        ASN  25  -4.813 -10.732   4.637
  199    HA   ASN  25           HA       ASN  25  -2.748 -10.855   6.491
  200   1HB   ASN  25          1HB       ASN  25  -3.128 -12.615   4.057
  201   2HB   ASN  25          2HB       ASN  25  -2.172 -13.014   5.481
  202   1HD2  ASN  25          1HD2      ASN  25  -3.678 -12.383   7.556
  203   2HD2  ASN  25          2HD2      ASN  25  -5.174 -13.247   7.548
  204    H    LEU  26           H        LEU  26  -2.573 -10.511   2.957
  205    HA   LEU  26           HA       LEU  26   0.199 -10.475   2.690
  206   1HB   LEU  26          1HB       LEU  26  -1.085 -10.622   0.717
  207   2HB   LEU  26          2HB       LEU  26  -2.006  -9.184   1.110
  208    HG   LEU  26           HG       LEU  26  -0.027  -7.792   0.696
  209   1HD1  LEU  26          1HD1      LEU  26   1.951  -8.823  -0.377
  210   2HD1  LEU  26          2HD1      LEU  26   1.280 -10.413  -0.012
  211   3HD1  LEU  26          3HD1      LEU  26   1.727  -9.321   1.300
  212   1HD2  LEU  26          1HD2      LEU  26  -1.685  -8.663  -1.120
  213   2HD2  LEU  26          2HD2      LEU  26  -0.277  -9.551  -1.702
  214   3HD2  LEU  26          3HD2      LEU  26  -0.229  -7.790  -1.597
  215    H    LYS  27           H        LYS  27  -2.012  -7.694   2.988
  216    HA   LYS  27           HA       LYS  27  -0.127  -5.672   3.069
  217   1HB   LYS  27          1HB       LYS  27  -2.780  -5.880   4.501
  218   2HB   LYS  27          2HB       LYS  27  -1.835  -4.400   4.400
  219   1HG   LYS  27          1HG       LYS  27  -2.159  -4.217   2.086
  220   2HG   LYS  27          2HG       LYS  27  -2.714  -5.887   1.948
  221   1HD   LYS  27          1HD       LYS  27  -4.823  -5.355   2.499
  222   2HD   LYS  27          2HD       LYS  27  -4.308  -4.253   3.778
  223   1HE   LYS  27          1HE       LYS  27  -5.549  -3.206   1.841
  224   2HE   LYS  27          2HE       LYS  27  -3.999  -2.474   2.257
  225   1HZ   LYS  27          1HZ       LYS  27  -4.455  -2.880  -0.182
  226   2HZ   LYS  27          2HZ       LYS  27  -4.244  -4.527   0.140
  227   3HZ   LYS  27          3HZ       LYS  27  -2.973  -3.444   0.408
  228    H    ALA  28           H        ALA  28  -1.323  -7.732   5.676
  229    HA   ALA  28           HA       ALA  28  -0.143  -6.479   7.855
  230   1HB   ALA  28          1HB       ALA  28  -0.163  -8.741   8.916
  231   2HB   ALA  28          2HB       ALA  28  -0.652  -9.408   7.358
  232   3HB   ALA  28          3HB       ALA  28  -1.701  -8.265   8.196
  233    H    LYS  29           H        LYS  29   1.202  -8.939   5.678
  234    HA   LYS  29           HA       LYS  29   3.672  -9.279   6.934
  235   1HB   LYS  29          1HB       LYS  29   2.669  -9.657   4.144
  236   2HB   LYS  29          2HB       LYS  29   4.402  -9.732   4.427
  237   1HG   LYS  29          1HG       LYS  29   3.650 -11.948   4.541
  238   2HG   LYS  29          2HG       LYS  29   3.891 -11.452   6.218
  239   1HD   LYS  29          1HD       LYS  29   1.481 -10.984   6.404
  240   2HD   LYS  29          2HD       LYS  29   1.260 -11.544   4.745
  241   1HE   LYS  29          1HE       LYS  29   0.694 -13.400   6.036
  242   2HE   LYS  29          2HE       LYS  29   2.356 -13.722   5.544
  243   1HZ   LYS  29          1HZ       LYS  29   1.916 -14.171   7.918
  244   2HZ   LYS  29          2HZ       LYS  29   1.593 -12.528   8.152
  245   3HZ   LYS  29          3HZ       LYS  29   3.138 -13.025   7.676
  246    H    ILE  30           H        ILE  30   2.677  -6.987   4.414
  247    HA   ILE  30           HA       ILE  30   5.222  -5.753   4.152
  248    HB   ILE  30           HB       ILE  30   2.477  -4.689   3.469
  249   1HG1  ILE  30          1HG1      ILE  30   4.559  -6.246   1.956
  250   2HG1  ILE  30          2HG1      ILE  30   2.836  -6.572   2.110
  251   1HG2  ILE  30          1HG2      ILE  30   4.022  -2.854   3.733
  252   2HG2  ILE  30          2HG2      ILE  30   3.689  -3.099   2.018
  253   3HG2  ILE  30          3HG2      ILE  30   5.210  -3.664   2.713
  254   1HD1  ILE  30          1HD1      ILE  30   2.453  -4.469   0.769
  255   2HD1  ILE  30          2HD1      ILE  30   3.171  -5.831  -0.091
  256   3HD1  ILE  30          3HD1      ILE  30   4.184  -4.486   0.432
  257    H    GLN  31           H        GLN  31   2.763  -5.543   6.504
  258    HA   GLN  31           HA       GLN  31   3.565  -2.905   7.438
  259   1HB   GLN  31          1HB       GLN  31   1.194  -3.435   7.495
  260   2HB   GLN  31          2HB       GLN  31   1.506  -4.864   8.471
  261   1HG   GLN  31          1HG       GLN  31   2.247  -3.482  10.314
  262   2HG   GLN  31          2HG       GLN  31   2.037  -2.031   9.335
  263   1HE2  GLN  31          1HE2      GLN  31   0.718  -1.581  11.348
  264   2HE2  GLN  31          2HE2      GLN  31  -0.955  -2.004  11.281
  265    H    ASP  32           H        ASP  32   3.845  -6.286   8.339
  266    HA   ASP  32           HA       ASP  32   5.217  -5.652  10.814
  267   1HB   ASP  32          1HB       ASP  32   3.605  -7.701  10.174
  268   2HB   ASP  32          2HB       ASP  32   5.166  -8.426   9.811
  269    H    LYS  33           H        LYS  33   6.162  -5.475   7.756
  270    HA   LYS  33           HA       LYS  33   8.886  -6.404   8.373
  271   1HB   LYS  33          1HB       LYS  33   7.336  -6.665   5.803
  272   2HB   LYS  33          2HB       LYS  33   9.090  -6.782   5.854
  273   1HG   LYS  33          1HG       LYS  33   8.148  -8.503   7.854
  274   2HG   LYS  33          2HG       LYS  33   7.117  -8.771   6.446
  275   1HD   LYS  33          1HD       LYS  33   9.729  -8.578   5.451
  276   2HD   LYS  33          2HD       LYS  33   9.841  -9.583   6.899
  277   1HE   LYS  33          1HE       LYS  33   7.691 -10.704   5.815
  278   2HE   LYS  33          2HE       LYS  33   8.425 -10.081   4.338
  279   1HZ   LYS  33          1HZ       LYS  33  10.144 -11.516   4.476
  280   2HZ   LYS  33          2HZ       LYS  33   9.031 -12.441   5.351
  281   3HZ   LYS  33          3HZ       LYS  33  10.183 -11.511   6.168
  282    H    GLU  34           H        GLU  34   6.975  -4.255   6.278
  283    HA   GLU  34           HA       GLU  34   9.267  -2.425   6.149
  284   1HB   GLU  34          1HB       GLU  34   7.005  -3.047   4.349
  285   2HB   GLU  34          2HB       GLU  34   7.471  -1.353   4.428
  286   1HG   GLU  34          1HG       GLU  34   9.100  -3.704   3.538
  287   2HG   GLU  34          2HG       GLU  34   8.690  -2.239   2.645
  288    H    GLY  35           H        GLY  35   6.356  -2.874   7.763
  289   1HA   GLY  35          1HA       GLY  35   5.277  -1.553   9.309
  290   2HA   GLY  35          2HA       GLY  35   6.555  -0.366   9.100
  291    H    ILE  36           H        ILE  36   4.566  -1.565   6.471
  292    HA   ILE  36           HA       ILE  36   3.552   1.160   6.088
  293    HB   ILE  36           HB       ILE  36   3.110  -0.982   4.064
  294   1HG1  ILE  36          1HG1      ILE  36   5.747   0.449   4.464
  295   2HG1  ILE  36          2HG1      ILE  36   5.464  -1.267   4.738
  296   1HG2  ILE  36          1HG2      ILE  36   2.368   1.521   4.029
  297   2HG2  ILE  36          2HG2      ILE  36   2.988   0.758   2.564
  298   3HG2  ILE  36          3HG2      ILE  36   4.034   1.803   3.526
  299   1HD1  ILE  36          1HD1      ILE  36   6.023  -1.649   2.639
  300   2HD1  ILE  36          2HD1      ILE  36   6.161   0.081   2.327
  301   3HD1  ILE  36          3HD1      ILE  36   4.609  -0.731   2.120
  302    HA   PRO  37           HA       PRO  37  -0.417  -0.327   7.474
  303   1HB   PRO  37          1HB       PRO  37  -1.723   2.012   7.350
  304   2HB   PRO  37          2HB       PRO  37  -0.502   1.693   8.588
  305   1HG   PRO  37          1HG       PRO  37  -0.270   3.260   6.050
  306   2HG   PRO  37          2HG       PRO  37   0.388   3.625   7.654
  307   1HD   PRO  37          1HD       PRO  37   1.839   2.511   5.596
  308   2HD   PRO  37          2HD       PRO  37   2.240   2.331   7.314
  309    HA   PRO  38           HA       PRO  38  -2.528  -1.418   3.737
  310   1HB   PRO  38          1HB       PRO  38  -4.937  -1.180   5.479
  311   2HB   PRO  38          2HB       PRO  38  -4.427  -2.514   4.439
  312   1HG   PRO  38          1HG       PRO  38  -4.133  -2.674   7.077
  313   2HG   PRO  38          2HG       PRO  38  -2.883  -3.301   5.987
  314   1HD   PRO  38          1HD       PRO  38  -2.907  -0.788   7.600
  315   2HD   PRO  38          2HD       PRO  38  -1.554  -1.873   7.220
  316    H    ASP  39           H        ASP  39  -3.356   1.352   5.670
  317    HA   ASP  39           HA       ASP  39  -5.324   2.493   4.012
  318   1HB   ASP  39          1HB       ASP  39  -3.713   3.318   6.302
  319   2HB   ASP  39          2HB       ASP  39  -4.040   4.643   5.189
  320    H    GLN  40           H        GLN  40  -1.807   3.008   4.154
  321    HA   GLN  40           HA       GLN  40  -1.947   4.651   1.745
  322   1HB   GLN  40          1HB       GLN  40   0.574   3.943   3.222
  323   2HB   GLN  40          2HB       GLN  40   0.245   5.350   2.220
  324   1HG   GLN  40          1HG       GLN  40  -1.616   5.644   4.172
  325   2HG   GLN  40          2HG       GLN  40  -0.295   4.884   5.059
  326   1HE2  GLN  40          1HE2      GLN  40  -0.806   7.252   5.934
  327   2HE2  GLN  40          2HE2      GLN  40   0.304   8.446   5.363
  328    H    GLN  41           H        GLN  41  -1.851   1.446   2.340
  329    HA   GLN  41           HA       GLN  41   0.140   0.744   0.342
  330   1HB   GLN  41          1HB       GLN  41  -1.310  -0.639   2.473
  331   2HB   GLN  41          2HB       GLN  41  -1.175  -1.582   0.996
  332   1HG   GLN  41          1HG       GLN  41   1.306  -1.044   1.065
  333   2HG   GLN  41          2HG       GLN  41   1.020  -0.485   2.714
  334   1HE2  GLN  41          1HE2      GLN  41   0.820  -1.936   4.319
  335   2HE2  GLN  41          2HE2      GLN  41   0.909  -3.647   4.107
  336    H    ARG  42           H        ARG  42  -0.472   1.070  -1.706
  337    HA   ARG  42           HA       ARG  42  -3.178   0.220  -2.501
  338   1HB   ARG  42          1HB       ARG  42  -1.350   2.365  -3.522
  339   2HB   ARG  42          2HB       ARG  42  -2.553   1.662  -4.594
  340   1HG   ARG  42          1HG       ARG  42  -4.325   2.316  -3.057
  341   2HG   ARG  42          2HG       ARG  42  -3.126   2.997  -1.955
  342   1HD   ARG  42          1HD       ARG  42  -3.519   4.918  -3.042
  343   2HD   ARG  42          2HD       ARG  42  -2.484   4.233  -4.294
  344    HE   ARG  42           HE       ARG  42  -5.018   3.324  -4.851
  345   1HH1  ARG  42          1HH1      ARG  42  -4.522   7.216  -5.646
  346   2HH1  ARG  42          2HH1      ARG  42  -3.470   6.426  -4.519
  347   1HH2  ARG  42          1HH2      ARG  42  -6.407   4.353  -6.337
  348   2HH2  ARG  42          2HH2      ARG  42  -6.192   6.036  -6.681
  349    H    LEU  43           H        LEU  43  -2.993  -1.851  -3.142
  350    HA   LEU  43           HA       LEU  43  -0.689  -2.703  -4.698
  351   1HB   LEU  43          1HB       LEU  43  -3.046  -4.427  -4.008
  352   2HB   LEU  43          2HB       LEU  43  -1.389  -4.910  -4.316
  353    HG   LEU  43           HG       LEU  43  -2.385  -3.454  -1.866
  354   1HD1  LEU  43          1HD1      LEU  43  -1.504  -6.291  -2.347
  355   2HD1  LEU  43          2HD1      LEU  43  -3.072  -5.725  -1.771
  356   3HD1  LEU  43          3HD1      LEU  43  -1.647  -5.571  -0.742
  357   1HD2  LEU  43          1HD2      LEU  43  -0.067  -3.896  -1.032
  358   2HD2  LEU  43          2HD2      LEU  43  -0.169  -2.701  -2.326
  359   3HD2  LEU  43          3HD2      LEU  43   0.376  -4.340  -2.681
  360    H    ILE  44           H        ILE  44  -0.661  -2.867  -6.838
  361    HA   ILE  44           HA       ILE  44  -3.231  -2.913  -8.280
  362    HB   ILE  44           HB       ILE  44  -0.796  -1.580  -9.419
  363   1HG1  ILE  44          1HG1      ILE  44  -1.118  -0.375  -7.383
  364   2HG1  ILE  44          2HG1      ILE  44  -1.849   0.593  -8.660
  365   1HG2  ILE  44          1HG2      ILE  44  -3.201  -0.350 -10.199
  366   2HG2  ILE  44          2HG2      ILE  44  -3.478  -2.090 -10.271
  367   3HG2  ILE  44          3HG2      ILE  44  -2.141  -1.372 -11.170
  368   1HD1  ILE  44          1HD1      ILE  44  -3.740  -1.238  -7.451
  369   2HD1  ILE  44          2HD1      ILE  44  -3.848   0.504  -7.705
  370   3HD1  ILE  44          3HD1      ILE  44  -3.022  -0.130  -6.282
  371    H    PHE  45           H        PHE  45  -3.294  -5.030  -8.851
  372    HA   PHE  45           HA       PHE  45  -0.926  -6.222 -10.098
  373   1HB   PHE  45          1HB       PHE  45  -1.797  -7.647  -8.423
  374   2HB   PHE  45          2HB       PHE  45  -3.456  -7.387  -8.951
  375    HD1  PHE  45           HD1      PHE  45  -0.225  -8.847 -10.082
  376    HD2  PHE  45           HD2      PHE  45  -4.480  -8.913 -10.358
  377    HE1  PHE  45           HE1      PHE  45  -0.100 -10.882 -11.470
  378    HE2  PHE  45           HE2      PHE  45  -4.363 -10.948 -11.744
  379    HZ   PHE  45           HZ       PHE  45  -2.171 -11.934 -12.301
  380    H    ALA  46           H        ALA  46  -0.771  -6.277 -12.233
  381    HA   ALA  46           HA       ALA  46  -1.299  -6.116 -14.445
  382   1HB   ALA  46          1HB       ALA  46  -2.810  -8.215 -13.311
  383   2HB   ALA  46          2HB       ALA  46  -2.285  -8.029 -14.984
  384   3HB   ALA  46          3HB       ALA  46  -3.848  -7.392 -14.475
  385    H    GLY  47           H        GLY  47  -2.226  -3.968 -12.690
  386   1HA   GLY  47          1HA       GLY  47  -3.268  -1.951 -13.205
  387   2HA   GLY  47          2HA       GLY  47  -4.058  -2.735 -14.564
  388    H    LYS  48           H        LYS  48  -4.238  -4.245 -11.466
  389    HA   LYS  48           HA       LYS  48  -7.011  -3.292 -11.177
  390   1HB   LYS  48          1HB       LYS  48  -5.924  -6.040 -10.537
  391   2HB   LYS  48          2HB       LYS  48  -7.572  -5.505 -10.242
  392   1HG   LYS  48          1HG       LYS  48  -6.746  -5.103 -12.998
  393   2HG   LYS  48          2HG       LYS  48  -6.655  -6.792 -12.492
  394   1HD   LYS  48          1HD       LYS  48  -9.002  -6.508 -11.586
  395   2HD   LYS  48          2HD       LYS  48  -9.047  -4.965 -12.442
  396   1HE   LYS  48          1HE       LYS  48  -8.734  -6.057 -14.553
  397   2HE   LYS  48          2HE       LYS  48  -8.443  -7.606 -13.763
  398   1HZ   LYS  48          1HZ       LYS  48 -10.609  -7.915 -14.193
  399   2HZ   LYS  48          2HZ       LYS  48 -10.945  -6.263 -14.336
  400   3HZ   LYS  48          3HZ       LYS  48 -10.855  -6.978 -12.806
  401    H    GLN  49           H        GLN  49  -7.401  -2.237  -9.351
  402    HA   GLN  49           HA       GLN  49  -5.419  -2.219  -7.241
  403   1HB   GLN  49          1HB       GLN  49  -6.688  -0.178  -8.129
  404   2HB   GLN  49          2HB       GLN  49  -8.063  -0.776  -7.212
  405   1HG   GLN  49          1HG       GLN  49  -6.354  -0.809  -5.237
  406   2HG   GLN  49          2HG       GLN  49  -5.478   0.341  -6.246
  407   1HE2  GLN  49          1HE2      GLN  49  -6.534   0.950  -3.728
  408   2HE2  GLN  49          2HE2      GLN  49  -7.782   2.128  -3.928
  409    H    LEU  50           H        LEU  50  -5.438  -3.739  -5.732
  410    HA   LEU  50           HA       LEU  50  -7.649  -5.420  -5.195
  411   1HB   LEU  50          1HB       LEU  50  -5.399  -5.010  -3.259
  412   2HB   LEU  50          2HB       LEU  50  -6.294  -6.476  -3.611
  413    HG   LEU  50           HG       LEU  50  -4.265  -5.166  -5.424
  414   1HD1  LEU  50          1HD1      LEU  50  -3.798  -6.691  -3.206
  415   2HD1  LEU  50          2HD1      LEU  50  -2.710  -6.535  -4.586
  416   3HD1  LEU  50          3HD1      LEU  50  -3.825  -7.899  -4.490
  417   1HD2  LEU  50          1HD2      LEU  50  -5.808  -7.736  -5.767
  418   2HD2  LEU  50          2HD2      LEU  50  -4.546  -7.129  -6.839
  419   3HD2  LEU  50          3HD2      LEU  50  -6.066  -6.250  -6.680
  420    H    GLU  51           H        GLU  51  -8.989  -5.549  -3.382
  421    HA   GLU  51           HA       GLU  51  -9.083  -3.147  -1.684
  422   1HB   GLU  51          1HB       GLU  51 -11.290  -4.448  -3.239
  423   2HB   GLU  51          2HB       GLU  51 -11.657  -3.603  -1.742
  424   1HG   GLU  51          1HG       GLU  51 -12.000  -2.001  -3.379
  425   2HG   GLU  51          2HG       GLU  51 -10.387  -1.632  -2.769
  426    H    ASP  52           H        ASP  52  -9.334  -3.506   0.446
  427    HA   ASP  52           HA       ASP  52  -8.811  -5.913   1.636
  428   1HB   ASP  52          1HB       ASP  52  -8.694  -3.900   2.930
  429   2HB   ASP  52          2HB       ASP  52 -10.406  -3.571   2.684
  430    H    GLY  53           H        GLY  53  -9.854  -7.785   1.509
  431   1HA   GLY  53          1HA       GLY  53 -11.998  -8.788   2.464
  432   2HA   GLY  53          2HA       GLY  53 -12.795  -7.741   1.300
  433    H    ARG  54           H        ARG  54 -10.564  -8.233  -0.651
  434    HA   ARG  54           HA       ARG  54 -11.679 -10.690  -1.748
  435   1HB   ARG  54          1HB       ARG  54  -9.601  -9.032  -3.130
  436   2HB   ARG  54          2HB       ARG  54 -10.895  -9.997  -3.828
  437   1HG   ARG  54          1HG       ARG  54 -12.234  -8.086  -2.353
  438   2HG   ARG  54          2HG       ARG  54 -10.869  -7.206  -3.045
  439   1HD   ARG  54          1HD       ARG  54 -11.700  -7.322  -5.122
  440   2HD   ARG  54          2HD       ARG  54 -12.183  -9.007  -4.933
  441    HE   ARG  54           HE       ARG  54 -14.284  -8.312  -4.263
  442   1HH1  ARG  54          1HH1      ARG  54 -13.397  -4.411  -4.423
  443   2HH1  ARG  54          2HH1      ARG  54 -12.131  -5.589  -4.533
  444   1HH2  ARG  54          1HH2      ARG  54 -15.960  -6.771  -4.116
  445   2HH2  ARG  54          2HH2      ARG  54 -15.574  -5.084  -4.185
  446    H    THR  55           H        THR  55 -10.435 -12.467  -2.396
  447    HA   THR  55           HA       THR  55  -8.031 -12.858  -0.802
  448    HB   THR  55           HB       THR  55  -8.238 -15.234  -1.619
  449    HG1  THR  55           HG1      THR  55  -9.918 -15.802  -2.848
  450   1HG2  THR  55          1HG2      THR  55  -9.190 -14.774   0.509
  451   2HG2  THR  55          2HG2      THR  55 -10.341 -15.757  -0.396
  452   3HG2  THR  55          3HG2      THR  55 -10.606 -14.021  -0.224
  453    H    LEU  56           H        LEU  56  -6.100 -13.811  -1.732
  454    HA   LEU  56           HA       LEU  56  -5.132 -12.393  -3.940
  455   1HB   LEU  56          1HB       LEU  56  -4.089 -14.976  -2.774
  456   2HB   LEU  56          2HB       LEU  56  -3.199 -13.906  -3.840
  457    HG   LEU  56           HG       LEU  56  -4.242 -12.950  -1.188
  458   1HD1  LEU  56          1HD1      LEU  56  -2.568 -13.880  -0.021
  459   2HD1  LEU  56          2HD1      LEU  56  -1.410 -13.702  -1.341
  460   3HD1  LEU  56          3HD1      LEU  56  -2.542 -15.055  -1.336
  461   1HD2  LEU  56          1HD2      LEU  56  -1.729 -11.889  -2.114
  462   2HD2  LEU  56          2HD2      LEU  56  -3.230 -11.047  -1.724
  463   3HD2  LEU  56          3HD2      LEU  56  -2.981 -11.703  -3.342
  464    H    SER  57           H        SER  57  -6.371 -15.701  -3.684
  465    HA   SER  57           HA       SER  57  -5.799 -16.517  -6.306
  466   1HB   SER  57          1HB       SER  57  -6.431 -18.108  -4.561
  467   2HB   SER  57          2HB       SER  57  -8.043 -17.401  -4.476
  468    HG   SER  57           HG       SER  57  -8.149 -17.978  -6.803
  469    H    ASP  58           H        ASP  58  -8.431 -14.640  -4.969
  470    HA   ASP  58           HA       ASP  58 -10.267 -14.810  -7.061
  471   1HB   ASP  58          1HB       ASP  58  -9.678 -12.601  -5.091
  472   2HB   ASP  58          2HB       ASP  58 -11.002 -12.508  -6.249
  473    H    TYR  59           H        TYR  59  -7.308 -12.996  -6.766
  474    HA   TYR  59           HA       TYR  59  -7.869 -11.461  -9.182
  475   1HB   TYR  59          1HB       TYR  59  -5.557 -11.419  -7.238
  476   2HB   TYR  59          2HB       TYR  59  -5.624 -10.428  -8.691
  477    HD1  TYR  59           HD1      TYR  59  -6.552 -10.687  -5.248
  478    HD2  TYR  59           HD2      TYR  59  -7.592  -8.800  -8.926
  479    HE1  TYR  59           HE1      TYR  59  -7.798  -8.964  -4.004
  480    HE2  TYR  59           HE2      TYR  59  -8.841  -7.071  -7.692
  481    HH   TYR  59           HH       TYR  59  -9.805  -7.360  -4.588
  482    H    ASN  60           H        ASN  60  -7.405 -14.433  -9.112
  483    HA   ASN  60           HA       ASN  60  -6.175 -16.049 -10.176
  484   1HB   ASN  60          1HB       ASN  60  -5.662 -15.384 -12.594
  485   2HB   ASN  60          2HB       ASN  60  -7.344 -15.287 -12.083
  486   1HD2  ASN  60          1HD2      ASN  60  -4.546 -13.536 -13.080
  487   2HD2  ASN  60          2HD2      ASN  60  -5.303 -11.990 -13.227
  488    H    LEU  61           H        LEU  61  -4.576 -14.657  -8.389
  489    HA   LEU  61           HA       LEU  61  -2.149 -13.781  -9.631
  490   1HB   LEU  61          1HB       LEU  61  -3.005 -14.332  -6.815
  491   2HB   LEU  61          2HB       LEU  61  -1.310 -14.079  -7.181
  492    HG   LEU  61           HG       LEU  61  -3.583 -12.129  -7.483
  493   1HD1  LEU  61          1HD1      LEU  61  -1.310 -11.009  -6.272
  494   2HD1  LEU  61          2HD1      LEU  61  -1.529 -12.600  -5.543
  495   3HD1  LEU  61          3HD1      LEU  61  -2.846 -11.428  -5.513
  496   1HD2  LEU  61          1HD2      LEU  61  -1.683 -10.606  -8.337
  497   2HD2  LEU  61          2HD2      LEU  61  -2.449 -11.725  -9.465
  498   3HD2  LEU  61          3HD2      LEU  61  -0.879 -12.117  -8.764
  499    H    GLN  62           H        GLN  62  -0.516 -14.980 -10.339
  500    HA   GLN  62           HA       GLN  62  -0.522 -17.846  -9.763
  501   1HB   GLN  62          1HB       GLN  62   0.979 -16.213 -11.815
  502   2HB   GLN  62          2HB       GLN  62   1.165 -17.948 -11.611
  503   1HG   GLN  62          1HG       GLN  62  -0.484 -18.221 -13.055
  504   2HG   GLN  62          2HG       GLN  62  -1.579 -17.542 -11.850
  505   1HE2  GLN  62          1HE2      GLN  62  -2.710 -16.952 -13.893
  506   2HE2  GLN  62          2HE2      GLN  62  -2.306 -15.437 -14.621
  507    H    LYS  63           H        LYS  63   2.002 -18.636 -10.003
  508    HA   LYS  63           HA       LYS  63   3.165 -17.884  -7.515
  509   1HB   LYS  63          1HB       LYS  63   3.339 -20.164  -8.455
  510   2HB   LYS  63          2HB       LYS  63   4.345 -19.538  -9.753
  511   1HG   LYS  63          1HG       LYS  63   6.176 -19.364  -8.439
  512   2HG   LYS  63          2HG       LYS  63   5.239 -18.958  -7.000
  513   1HD   LYS  63          1HD       LYS  63   4.778 -21.182  -6.517
  514   2HD   LYS  63          2HD       LYS  63   5.093 -21.709  -8.171
  515   1HE   LYS  63          1HE       LYS  63   7.232 -20.612  -6.359
  516   2HE   LYS  63          2HE       LYS  63   6.841 -22.330  -6.452
  517   1HZ   LYS  63          1HZ       LYS  63   7.438 -20.846  -8.920
  518   2HZ   LYS  63          2HZ       LYS  63   7.651 -22.490  -8.579
  519   3HZ   LYS  63          3HZ       LYS  63   8.713 -21.347  -7.926
  520    H    GLU  64           H        GLU  64   4.903 -16.615  -7.064
  521    HA   GLU  64           HA       GLU  64   6.304 -14.834  -7.312
  522   1HB   GLU  64          1HB       GLU  64   7.033 -16.367  -9.814
  523   2HB   GLU  64          2HB       GLU  64   7.992 -15.074  -9.108
  524   1HG   GLU  64          1HG       GLU  64   8.744 -16.369  -7.401
  525   2HG   GLU  64          2HG       GLU  64   7.287 -17.360  -7.363
  526    H    SER  65           H        SER  65   4.190 -13.643  -7.729
  527    HA   SER  65           HA       SER  65   3.917 -12.673 -10.466
  528   1HB   SER  65          1HB       SER  65   2.240 -12.423  -7.981
  529   2HB   SER  65          2HB       SER  65   1.962 -11.369  -9.367
  530    HG   SER  65           HG       SER  65   1.650 -13.248 -10.632
  531    H    THR  66           H        THR  66   3.356 -10.208 -10.559
  532    HA   THR  66           HA       THR  66   5.324  -8.734  -8.937
  533    HB   THR  66           HB       THR  66   4.762  -8.385 -11.889
  534    HG1  THR  66           HG1      THR  66   7.108  -8.895 -11.891
  535   1HG2  THR  66          1HG2      THR  66   6.242  -6.620 -11.983
  536   2HG2  THR  66          2HG2      THR  66   6.954  -6.997 -10.413
  537   3HG2  THR  66          3HG2      THR  66   5.341  -6.289 -10.504
  538    H    ILE  67           H        ILE  67   4.014  -7.651  -7.573
  539    HA   ILE  67           HA       ILE  67   1.654  -6.286  -8.643
  540    HB   ILE  67           HB       ILE  67   2.532  -6.741  -5.791
  541   1HG1  ILE  67          1HG1      ILE  67   0.085  -7.841  -7.164
  542   2HG1  ILE  67          2HG1      ILE  67   1.630  -8.685  -7.212
  543   1HG2  ILE  67          1HG2      ILE  67   1.351  -4.635  -5.971
  544   2HG2  ILE  67          2HG2      ILE  67   0.332  -5.831  -5.171
  545   3HG2  ILE  67          3HG2      ILE  67   0.044  -5.417  -6.861
  546   1HD1  ILE  67          1HD1      ILE  67   0.602  -7.857  -4.562
  547   2HD1  ILE  67          2HD1      ILE  67   1.528  -9.285  -5.028
  548   3HD1  ILE  67          3HD1      ILE  67  -0.197  -9.199  -5.381
  549    H    HIS  68           H        HIS  68   1.324  -4.074  -8.417
  550    HA   HIS  68           HA       HIS  68   3.779  -2.518  -8.016
  551   1HB   HIS  68          1HB       HIS  68   1.195  -1.832  -9.426
  552   2HB   HIS  68          2HB       HIS  68   2.530  -0.706  -9.210
  553    HD1  HIS  68           HD1      HIS  68   3.085  -0.470 -11.677
  554    HD2  HIS  68           HD2      HIS  68   3.156  -4.405 -10.348
  555    HE1  HIS  68           HE1      HIS  68   4.119  -1.793 -13.549
  556    HE2  HIS  68           HE2      HIS  68   4.064  -4.185 -12.760
  557    H    LEU  69           H        LEU  69   3.999  -1.746  -6.025
  558    HA   LEU  69           HA       LEU  69   1.667  -1.124  -4.407
  559   1HB   LEU  69          1HB       LEU  69   3.736  -2.322  -3.551
  560   2HB   LEU  69          2HB       LEU  69   4.562  -0.780  -3.654
  561    HG   LEU  69           HG       LEU  69   2.024  -0.862  -2.109
  562   1HD1  LEU  69          1HD1      LEU  69   4.318  -1.538  -0.466
  563   2HD1  LEU  69          2HD1      LEU  69   3.916  -2.810  -1.620
  564   3HD1  LEU  69          3HD1      LEU  69   2.696  -2.231  -0.487
  565   1HD2  LEU  69          1HD2      LEU  69   4.369   0.808  -2.393
  566   2HD2  LEU  69          2HD2      LEU  69   4.030   0.433  -0.703
  567   3HD2  LEU  69          3HD2      LEU  69   2.790   1.187  -1.705
  568    H    VAL  70           H        VAL  70   0.743   0.789  -4.537
  569    HA   VAL  70           HA       VAL  70   2.407   3.119  -5.218
  570    HB   VAL  70           HB       VAL  70  -0.432   3.651  -5.352
  571   1HG1  VAL  70          1HG1      VAL  70   0.291   4.171  -7.765
  572   2HG1  VAL  70          2HG1      VAL  70   1.923   3.811  -7.200
  573   3HG1  VAL  70          3HG1      VAL  70   1.000   5.118  -6.457
  574   1HG2  VAL  70          1HG2      VAL  70  -0.609   1.255  -5.843
  575   2HG2  VAL  70          2HG2      VAL  70   0.569   1.439  -7.142
  576   3HG2  VAL  70          3HG2      VAL  70  -0.998   2.240  -7.251
  577    H    LEU  71           H        LEU  71   2.099   5.072  -4.105
  578    HA   LEU  71           HA       LEU  71   1.171   4.704  -1.355
  579   1HB   LEU  71          1HB       LEU  71   2.833   6.888  -2.613
  580   2HB   LEU  71          2HB       LEU  71   2.385   6.826  -0.919
  581    HG   LEU  71           HG       LEU  71   4.681   6.066  -1.258
  582   1HD1  LEU  71          1HD1      LEU  71   2.600   4.576   0.030
  583   2HD1  LEU  71          2HD1      LEU  71   4.274   4.821   0.530
  584   3HD1  LEU  71          3HD1      LEU  71   3.861   3.482  -0.540
  585   1HD2  LEU  71          1HD2      LEU  71   3.805   3.593  -2.631
  586   2HD2  LEU  71          2HD2      LEU  71   5.332   4.468  -2.732
  587   3HD2  LEU  71          3HD2      LEU  71   3.917   5.063  -3.599
  588    H    ARG  72           H        ARG  72  -0.675   5.557  -0.657
  589    HA   ARG  72           HA       ARG  72  -2.689   6.572  -2.084
  590   1HB   ARG  72          1HB       ARG  72  -1.931   6.690   0.701
  591   2HB   ARG  72          2HB       ARG  72  -2.789   8.152   0.232
  592   1HG   ARG  72          1HG       ARG  72  -4.583   6.688  -0.718
  593   2HG   ARG  72          2HG       ARG  72  -3.753   5.313   0.013
  594   1HD   ARG  72          1HD       ARG  72  -3.922   6.537   2.213
  595   2HD   ARG  72          2HD       ARG  72  -4.996   7.676   1.401
  596    HE   ARG  72           HE       ARG  72  -5.933   5.066   0.966
  597   1HH1  ARG  72          1HH1      ARG  72  -6.955   6.808   4.421
  598   2HH1  ARG  72          2HH1      ARG  72  -5.596   7.402   3.527
  599   1HH2  ARG  72          1HH2      ARG  72  -7.722   4.276   2.137
  600   2HH2  ARG  72          2HH2      ARG  72  -8.164   5.031   3.632
  601    H    LEU  73           H        LEU  73  -3.520   8.607  -2.675
  602    HA   LEU  73           HA       LEU  73  -2.039  10.318  -4.076
  603   1HB   LEU  73          1HB       LEU  73  -3.774  12.099  -2.870
  604   2HB   LEU  73          2HB       LEU  73  -4.090  11.149  -4.310
  605    HG   LEU  73           HG       LEU  73  -4.632   9.843  -1.699
  606   1HD1  LEU  73          1HD1      LEU  73  -5.481  12.190  -1.470
  607   2HD1  LEU  73          2HD1      LEU  73  -6.717  10.935  -1.362
  608   3HD1  LEU  73          3HD1      LEU  73  -6.537  11.871  -2.847
  609   1HD2  LEU  73          1HD2      LEU  73  -6.062   8.569  -2.910
  610   2HD2  LEU  73          2HD2      LEU  73  -5.001   9.075  -4.223
  611   3HD2  LEU  73          3HD2      LEU  73  -6.537   9.902  -3.962
  612    H    ARG  74           H        ARG  74  -0.871  12.217  -3.809
  613    HA   ARG  74           HA       ARG  74  -0.249  13.056  -1.074
  614   1HB   ARG  74          1HB       ARG  74   2.208  13.229  -1.892
  615   2HB   ARG  74          2HB       ARG  74   1.589  11.665  -1.379
  616   1HG   ARG  74          1HG       ARG  74   1.141  12.096  -4.198
  617   2HG   ARG  74          2HG       ARG  74   2.847  12.264  -3.777
  618   1HD   ARG  74          1HD       ARG  74   3.072  10.078  -3.287
  619   2HD   ARG  74          2HD       ARG  74   1.481   9.981  -2.532
  620    HE   ARG  74           HE       ARG  74   0.596   9.305  -4.541
  621   1HH1  ARG  74          1HH1      ARG  74   3.913   9.975  -6.679
  622   2HH1  ARG  74          2HH1      ARG  74   3.824  10.514  -5.036
  623   1HH2  ARG  74          1HH2      ARG  74   0.704   8.588  -6.703
  624   2HH2  ARG  74          2HH2      ARG  74   2.140   8.879  -7.628
  625    H    GLY  75           H        GLY  75   1.446  15.015  -1.339
  626   1HA   GLY  75          1HA       GLY  75   1.628  17.226  -1.928
  627   2HA   GLY  75          2HA       GLY  75   1.368  16.670  -3.574
  628    H    GLY  76           H        GLY  76  -0.542  17.180  -0.600
  629   1HA   GLY  76          1HA       GLY  76  -2.769  18.096  -2.283
  630   2HA   GLY  76          2HA       GLY  76  -2.891  17.599  -0.601
  Start of MODEL    4
    1   1H    MET   1          1H        MET   1   2.377 -19.045  -1.458
    2   2H    MET   1          2H        MET   1   3.280 -20.500  -1.333
    3   3H    MET   1          3H        MET   1   1.905 -20.426  -2.359
    4    HA   MET   1           HA       MET   1   4.231 -20.270  -3.346
    5   1HB   MET   1          1HB       MET   1   3.258 -18.563  -5.000
    6   2HB   MET   1          2HB       MET   1   2.349 -20.046  -4.738
    7   1HG   MET   1          1HG       MET   1   1.139 -18.577  -2.918
    8   2HG   MET   1          2HG       MET   1   1.712 -17.259  -3.940
    9   1HE   MET   1          1HE       MET   1  -0.556 -16.646  -3.813
   10   2HE   MET   1          2HE       MET   1  -1.964 -17.537  -4.392
   11   3HE   MET   1          3HE       MET   1  -1.038 -16.528  -5.505
   12    H    GLN   2           H        GLN   2   5.687 -18.608  -4.187
   13    HA   GLN   2           HA       GLN   2   6.164 -16.530  -2.170
   14   1HB   GLN   2          1HB       GLN   2   7.864 -18.376  -3.458
   15   2HB   GLN   2          2HB       GLN   2   8.298 -16.791  -4.084
   16   1HG   GLN   2          1HG       GLN   2   8.430 -16.020  -1.684
   17   2HG   GLN   2          2HG       GLN   2   8.305 -17.719  -1.229
   18   1HE2  GLN   2          1HE2      GLN   2  10.353 -17.680  -0.290
   19   2HE2  GLN   2          2HE2      GLN   2  11.795 -17.662  -1.242
   20    H    LEU   3           H        LEU   3   5.003 -14.779  -2.779
   21    HA   LEU   3           HA       LEU   3   5.118 -13.889  -5.562
   22   1HB   LEU   3          1HB       LEU   3   3.549 -12.603  -3.342
   23   2HB   LEU   3          2HB       LEU   3   3.285 -12.474  -5.071
   24    HG   LEU   3           HG       LEU   3   2.870 -14.995  -3.463
   25   1HD1  LEU   3          1HD1      LEU   3   0.879 -14.221  -2.878
   26   2HD1  LEU   3          2HD1      LEU   3   0.472 -13.949  -4.572
   27   3HD1  LEU   3          3HD1      LEU   3   1.256 -12.675  -3.638
   28   1HD2  LEU   3          1HD2      LEU   3   1.426 -15.173  -5.789
   29   2HD2  LEU   3          2HD2      LEU   3   2.984 -15.939  -5.483
   30   3HD2  LEU   3          3HD2      LEU   3   2.914 -14.385  -6.313
   31    H    PHE   4           H        PHE   4   5.424 -11.537  -5.959
   32    HA   PHE   4           HA       PHE   4   7.491 -10.459  -4.158
   33   1HB   PHE   4          1HB       PHE   4   7.164 -10.102  -7.144
   34   2HB   PHE   4          2HB       PHE   4   8.369  -9.270  -6.165
   35    HD1  PHE   4           HD1      PHE   4   7.167 -12.788  -6.588
   36    HD2  PHE   4           HD2      PHE   4  10.485 -10.122  -6.335
   37    HE1  PHE   4           HE1      PHE   4   8.709 -14.687  -6.886
   38    HE2  PHE   4           HE2      PHE   4  12.035 -12.016  -6.633
   39    HZ   PHE   4           HZ       PHE   4  11.147 -14.302  -6.909
   40    H    VAL   5           H        VAL   5   7.631  -8.109  -4.024
   41    HA   VAL   5           HA       VAL   5   5.195  -6.657  -4.737
   42    HB   VAL   5           HB       VAL   5   6.295  -6.724  -1.924
   43   1HG1  VAL   5          1HG1      VAL   5   5.443  -4.510  -2.676
   44   2HG1  VAL   5          2HG1      VAL   5   4.530  -5.209  -1.338
   45   3HG1  VAL   5          3HG1      VAL   5   3.878  -5.265  -2.976
   46   1HG2  VAL   5          1HG2      VAL   5   4.301  -7.850  -1.284
   47   2HG2  VAL   5          2HG2      VAL   5   4.969  -8.727  -2.660
   48   3HG2  VAL   5          3HG2      VAL   5   3.595  -7.645  -2.887
   49    H    LYS   6           H        LYS   6   6.062  -5.133  -6.011
   50    HA   LYS   6           HA       LYS   6   8.560  -3.836  -5.221
   51   1HB   LYS   6          1HB       LYS   6   8.646  -2.954  -7.454
   52   2HB   LYS   6          2HB       LYS   6   8.260  -4.667  -7.554
   53   1HG   LYS   6          1HG       LYS   6   6.002  -4.228  -8.081
   54   2HG   LYS   6          2HG       LYS   6   6.157  -2.525  -7.643
   55   1HD   LYS   6          1HD       LYS   6   7.836  -3.687  -9.832
   56   2HD   LYS   6          2HD       LYS   6   6.170  -3.197 -10.147
   57   1HE   LYS   6          1HE       LYS   6   6.648  -0.945  -9.445
   58   2HE   LYS   6          2HE       LYS   6   8.271  -1.407  -8.933
   59   1HZ   LYS   6          1HZ       LYS   6   8.668  -0.503 -10.985
   60   2HZ   LYS   6          2HZ       LYS   6   7.214  -1.050 -11.651
   61   3HZ   LYS   6          3HZ       LYS   6   8.489  -2.133 -11.403
   62    H    THR   7           H        THR   7   8.759  -1.567  -5.068
   63    HA   THR   7           HA       THR   7   6.266  -0.246  -4.268
   64    HB   THR   7           HB       THR   7   8.103   1.473  -3.400
   65    HG1  THR   7           HG1      THR   7  10.017   0.562  -2.989
   66   1HG2  THR   7          1HG2      THR   7   6.480   0.038  -2.050
   67   2HG2  THR   7          2HG2      THR   7   7.968   0.566  -1.263
   68   3HG2  THR   7          3HG2      THR   7   7.830  -1.084  -1.870
   69    H    LEU   8           H        LEU   8   6.709   2.342  -4.506
   70    HA   LEU   8           HA       LEU   8   6.732   2.745  -7.374
   71   1HB   LEU   8          1HB       LEU   8   5.408   3.928  -5.215
   72   2HB   LEU   8          2HB       LEU   8   6.500   5.165  -5.807
   73    HG   LEU   8           HG       LEU   8   4.180   3.876  -7.188
   74   1HD1  LEU   8          1HD1      LEU   8   4.947   6.720  -7.490
   75   2HD1  LEU   8          2HD1      LEU   8   4.371   6.199  -5.906
   76   3HD1  LEU   8          3HD1      LEU   8   3.353   5.983  -7.331
   77   1HD2  LEU   8          1HD2      LEU   8   5.416   5.422  -9.119
   78   2HD2  LEU   8          2HD2      LEU   8   5.331   3.660  -9.080
   79   3HD2  LEU   8          3HD2      LEU   8   6.735   4.491  -8.410
   80    H    THR   9           H        THR   9   9.031   2.776  -4.963
   81    HA   THR   9           HA       THR   9  10.631   4.899  -6.182
   82    HB   THR   9           HB       THR   9  12.204   4.338  -4.244
   83    HG1  THR   9           HG1      THR   9  11.463   2.350  -3.633
   84   1HG2  THR   9          1HG2      THR   9   9.629   5.089  -3.016
   85   2HG2  THR   9          2HG2      THR   9  10.220   6.110  -4.327
   86   3HG2  THR   9          3HG2      THR   9  11.216   5.848  -2.895
   87    H    GLY  10           H        GLY  10  10.786   1.431  -5.444
   88   1HA   GLY  10          1HA       GLY  10  11.766   0.256  -7.531
   89   2HA   GLY  10          2HA       GLY  10  13.181   1.218  -7.136
   90    H    LYS  11           H        LYS  11  10.991  -0.349  -4.854
   91    HA   LYS  11           HA       LYS  11  13.217  -2.108  -4.056
   92   1HB   LYS  11          1HB       LYS  11  12.008  -0.127  -2.527
   93   2HB   LYS  11          2HB       LYS  11  11.254  -1.613  -1.965
   94   1HG   LYS  11          1HG       LYS  11  14.178  -0.921  -1.976
   95   2HG   LYS  11          2HG       LYS  11  13.134  -1.216  -0.583
   96   1HD   LYS  11          1HD       LYS  11  13.617  -3.327  -2.661
   97   2HD   LYS  11          2HD       LYS  11  14.723  -3.093  -1.305
   98   1HE   LYS  11          1HE       LYS  11  11.763  -3.600  -1.039
   99   2HE   LYS  11          2HE       LYS  11  13.006  -4.843  -0.903
  100   1HZ   LYS  11          1HZ       LYS  11  12.720  -4.284   1.274
  101   2HZ   LYS  11          2HZ       LYS  11  12.342  -2.669   0.946
  102   3HZ   LYS  11          3HZ       LYS  11  13.949  -3.193   0.872
  103    H    THR  12           H        THR  12  12.726  -4.068  -4.820
  104    HA   THR  12           HA       THR  12   9.954  -5.013  -4.628
  105    HB   THR  12           HB       THR  12  12.246  -6.245  -6.165
  106    HG1  THR  12           HG1      THR  12  11.782  -4.957  -7.756
  107   1HG2  THR  12          1HG2      THR  12  10.854  -7.803  -6.927
  108   2HG2  THR  12          2HG2      THR  12   9.528  -6.657  -7.120
  109   3HG2  THR  12          3HG2      THR  12   9.844  -7.383  -5.544
  110    H    LEU  13           H        LEU  13   9.405  -6.462  -3.140
  111    HA   LEU  13           HA       LEU  13  11.557  -7.970  -1.806
  112   1HB   LEU  13          1HB       LEU  13  10.101  -8.030   0.180
  113   2HB   LEU  13          2HB       LEU  13  10.545  -6.398  -0.283
  114    HG   LEU  13           HG       LEU  13   8.140  -6.799  -1.597
  115   1HD1  LEU  13          1HD1      LEU  13   7.236  -8.600  -0.585
  116   2HD1  LEU  13          2HD1      LEU  13   6.838  -7.426   0.669
  117   3HD1  LEU  13          3HD1      LEU  13   8.263  -8.451   0.841
  118   1HD2  LEU  13          1HD2      LEU  13   7.287  -5.156  -0.095
  119   2HD2  LEU  13          2HD2      LEU  13   8.991  -4.795  -0.367
  120   3HD2  LEU  13          3HD2      LEU  13   8.483  -5.572   1.131
  121    H    THR  14           H        THR  14  10.214  -9.847  -0.456
  122    HA   THR  14           HA       THR  14   8.356 -11.188  -2.251
  123    HB   THR  14           HB       THR  14  11.060 -12.300  -1.508
  124    HG1  THR  14           HG1      THR  14  11.350 -12.385  -3.673
  125   1HG2  THR  14          1HG2      THR  14  10.111 -14.276  -2.962
  126   2HG2  THR  14          2HG2      THR  14   8.583 -13.742  -2.262
  127   3HG2  THR  14          3HG2      THR  14   9.911 -14.235  -1.210
  128    H    VAL  15           H        VAL  15   6.947 -12.522  -1.213
  129    HA   VAL  15           HA       VAL  15   7.466 -13.245   1.573
  130    HB   VAL  15           HB       VAL  15   5.234 -12.505   2.284
  131   1HG1  VAL  15          1HG1      VAL  15   7.290 -11.061   2.488
  132   2HG1  VAL  15          2HG1      VAL  15   5.749 -10.205   2.540
  133   3HG1  VAL  15          3HG1      VAL  15   6.718 -10.187   1.068
  134   1HG2  VAL  15          1HG2      VAL  15   3.754 -12.301   0.598
  135   2HG2  VAL  15          2HG2      VAL  15   4.996 -11.865  -0.577
  136   3HG2  VAL  15          3HG2      VAL  15   4.357 -10.645   0.525
  137    H    GLU  16           H        GLU  16   6.178 -14.984   2.346
  138    HA   GLU  16           HA       GLU  16   5.220 -16.712   0.192
  139   1HB   GLU  16          1HB       GLU  16   6.569 -17.129   2.701
  140   2HB   GLU  16          2HB       GLU  16   5.087 -18.075   2.656
  141   1HG   GLU  16          1HG       GLU  16   6.136 -18.555   0.186
  142   2HG   GLU  16          2HG       GLU  16   7.584 -18.414   1.182
  143    H    LEU  17           H        LEU  17   3.150 -16.277  -0.297
  144    HA   LEU  17           HA       LEU  17   1.190 -16.441   1.887
  145   1HB   LEU  17          1HB       LEU  17   1.454 -14.347  -0.226
  146   2HB   LEU  17          2HB       LEU  17  -0.148 -14.791   0.330
  147    HG   LEU  17           HG       LEU  17   2.094 -13.656   2.001
  148   1HD1  LEU  17          1HD1      LEU  17   1.104 -11.664   1.801
  149   2HD1  LEU  17          2HD1      LEU  17  -0.513 -12.347   1.974
  150   3HD1  LEU  17          3HD1      LEU  17   0.288 -12.364   0.402
  151   1HD2  LEU  17          1HD2      LEU  17  -0.154 -13.626   3.556
  152   2HD2  LEU  17          2HD2      LEU  17   1.164 -14.790   3.687
  153   3HD2  LEU  17          3HD2      LEU  17  -0.275 -15.189   2.748
  154    H    GLU  18           H        GLU  18  -0.650 -17.582   1.448
  155    HA   GLU  18           HA       GLU  18  -0.617 -19.147  -1.013
  156   1HB   GLU  18          1HB       GLU  18  -2.649 -19.542   1.139
  157   2HB   GLU  18          2HB       GLU  18  -1.895 -20.730   0.090
  158   1HG   GLU  18          1HG       GLU  18  -0.458 -21.224   1.680
  159   2HG   GLU  18          2HG       GLU  18   0.124 -19.562   1.688
  160    HA   PRO  19           HA       PRO  19  -3.776 -17.090  -3.262
  161   1HB   PRO  19          1HB       PRO  19  -5.141 -19.744  -3.355
  162   2HB   PRO  19          2HB       PRO  19  -4.751 -18.633  -4.674
  163   1HG   PRO  19          1HG       PRO  19  -3.297 -20.827  -4.279
  164   2HG   PRO  19          2HG       PRO  19  -2.528 -19.302  -4.755
  165   1HD   PRO  19          1HD       PRO  19  -2.584 -20.653  -2.098
  166   2HD   PRO  19          2HD       PRO  19  -1.305 -19.673  -2.843
  167    H    SER  20           H        SER  20  -4.655 -19.178  -0.587
  168    HA   SER  20           HA       SER  20  -7.357 -18.389  -0.351
  169   1HB   SER  20          1HB       SER  20  -7.381 -19.568   1.673
  170   2HB   SER  20          2HB       SER  20  -6.112 -20.381   0.756
  171    HG   SER  20           HG       SER  20  -4.592 -19.084   1.896
  172    H    ASP  21           H        ASP  21  -4.365 -17.136   1.051
  173    HA   ASP  21           HA       ASP  21  -5.275 -15.392   2.938
  174   1HB   ASP  21          1HB       ASP  21  -3.067 -14.954   0.919
  175   2HB   ASP  21          2HB       ASP  21  -3.321 -13.938   2.335
  176    H    THR  22           H        THR  22  -5.761 -13.122   2.931
  177    HA   THR  22           HA       THR  22  -7.152 -12.285   0.475
  178    HB   THR  22           HB       THR  22  -8.615 -10.954   1.883
  179    HG1  THR  22           HG1      THR  22  -6.707 -11.556   3.800
  180   1HG2  THR  22          1HG2      THR  22  -8.857 -13.572   1.704
  181   2HG2  THR  22          2HG2      THR  22  -9.916 -12.606   2.733
  182   3HG2  THR  22          3HG2      THR  22  -8.552 -13.475   3.439
  183    H    VAL  23           H        VAL  23  -7.233  -9.932   0.081
  184    HA   VAL  23           HA       VAL  23  -4.778  -8.782  -0.251
  185    HB   VAL  23           HB       VAL  23  -7.281  -7.189   0.308
  186   1HG1  VAL  23          1HG1      VAL  23  -5.060  -6.503  -1.589
  187   2HG1  VAL  23          2HG1      VAL  23  -4.998  -6.053   0.115
  188   3HG1  VAL  23          3HG1      VAL  23  -6.299  -5.448  -0.910
  189   1HG2  VAL  23          1HG2      VAL  23  -7.610  -7.308  -2.176
  190   2HG2  VAL  23          2HG2      VAL  23  -7.879  -8.825  -1.317
  191   3HG2  VAL  23          3HG2      VAL  23  -6.380  -8.572  -2.211
  192    H    GLU  24           H        GLU  24  -6.874  -8.590   2.574
  193    HA   GLU  24           HA       GLU  24  -5.513  -6.590   3.982
  194   1HB   GLU  24          1HB       GLU  24  -7.770  -7.713   4.509
  195   2HB   GLU  24          2HB       GLU  24  -6.818  -8.951   5.317
  196   1HG   GLU  24          1HG       GLU  24  -6.035  -6.292   6.138
  197   2HG   GLU  24          2HG       GLU  24  -7.750  -6.590   6.413
  198    H    ASN  25           H        ASN  25  -5.144 -10.128   4.114
  199    HA   ASN  25           HA       ASN  25  -3.132 -10.280   6.011
  200   1HB   ASN  25          1HB       ASN  25  -3.721 -12.001   3.604
  201   2HB   ASN  25          2HB       ASN  25  -2.449 -12.397   4.754
  202   1HD2  ASN  25          1HD2      ASN  25  -3.423 -11.954   7.141
  203   2HD2  ASN  25          2HD2      ASN  25  -4.858 -12.867   7.442
  204    H    LEU  26           H        LEU  26  -2.869  -9.805   2.509
  205    HA   LEU  26           HA       LEU  26  -0.092  -9.867   2.284
  206   1HB   LEU  26          1HB       LEU  26  -1.434  -9.890   0.312
  207   2HB   LEU  26          2HB       LEU  26  -2.183  -8.360   0.726
  208    HG   LEU  26           HG       LEU  26  -0.214  -7.139   0.203
  209   1HD1  LEU  26          1HD1      LEU  26   1.265  -9.013   1.214
  210   2HD1  LEU  26          2HD1      LEU  26   1.911  -8.001  -0.078
  211   3HD1  LEU  26          3HD1      LEU  26   1.318  -9.622  -0.441
  212   1HD2  LEU  26          1HD2      LEU  26  -0.198  -9.194  -1.964
  213   2HD2  LEU  26          2HD2      LEU  26  -0.123  -7.437  -2.083
  214   3HD2  LEU  26          3HD2      LEU  26  -1.645  -8.229  -1.676
  215    H    LYS  27           H        LYS  27  -2.221  -7.045   2.735
  216    HA   LYS  27           HA       LYS  27  -0.212  -5.115   2.928
  217   1HB   LYS  27          1HB       LYS  27  -2.869  -5.086   4.369
  218   2HB   LYS  27          2HB       LYS  27  -1.879  -3.692   3.958
  219   1HG   LYS  27          1HG       LYS  27  -2.195  -4.575   1.512
  220   2HG   LYS  27          2HG       LYS  27  -3.605  -5.373   2.215
  221   1HD   LYS  27          1HD       LYS  27  -4.712  -3.423   2.549
  222   2HD   LYS  27          2HD       LYS  27  -3.234  -2.521   2.896
  223   1HE   LYS  27          1HE       LYS  27  -2.717  -2.319   0.587
  224   2HE   LYS  27          2HE       LYS  27  -3.963  -3.483   0.138
  225   1HZ   LYS  27          1HZ       LYS  27  -5.515  -1.748   1.270
  226   2HZ   LYS  27          2HZ       LYS  27  -4.996  -1.511  -0.322
  227   3HZ   LYS  27          3HZ       LYS  27  -4.249  -0.675   0.943
  228    H    ALA  28           H        ALA  28  -1.885  -6.905   5.512
  229    HA   ALA  28           HA       ALA  28  -0.745  -5.854   7.747
  230   1HB   ALA  28          1HB       ALA  28  -1.367  -7.768   8.873
  231   2HB   ALA  28          2HB       ALA  28  -0.914  -8.830   7.538
  232   3HB   ALA  28          3HB       ALA  28  -2.384  -7.861   7.435
  233    H    LYS  29           H        LYS  29   0.676  -8.332   5.639
  234    HA   LYS  29           HA       LYS  29   3.037  -8.724   7.113
  235   1HB   LYS  29          1HB       LYS  29   2.606  -9.021   4.135
  236   2HB   LYS  29          2HB       LYS  29   3.944  -9.701   5.050
  237   1HG   LYS  29          1HG       LYS  29   1.081 -10.378   5.650
  238   2HG   LYS  29          2HG       LYS  29   2.040 -11.263   4.461
  239   1HD   LYS  29          1HD       LYS  29   3.138 -10.849   7.204
  240   2HD   LYS  29          2HD       LYS  29   1.907 -12.087   6.945
  241   1HE   LYS  29          1HE       LYS  29   3.621 -12.560   4.877
  242   2HE   LYS  29          2HE       LYS  29   4.725 -12.032   6.147
  243   1HZ   LYS  29          1HZ       LYS  29   4.146 -14.506   5.984
  244   2HZ   LYS  29          2HZ       LYS  29   2.672 -14.077   6.694
  245   3HZ   LYS  29          3HZ       LYS  29   4.121 -13.782   7.514
  246    H    ILE  30           H        ILE  30   2.327  -6.593   4.360
  247    HA   ILE  30           HA       ILE  30   4.874  -5.481   4.065
  248    HB   ILE  30           HB       ILE  30   2.231  -4.098   3.580
  249   1HG1  ILE  30          1HG1      ILE  30   3.916  -5.677   1.627
  250   2HG1  ILE  30          2HG1      ILE  30   2.502  -6.330   2.449
  251   1HG2  ILE  30          1HG2      ILE  30   5.045  -3.423   2.992
  252   2HG2  ILE  30          2HG2      ILE  30   3.660  -2.371   3.286
  253   3HG2  ILE  30          3HG2      ILE  30   3.877  -3.122   1.705
  254   1HD1  ILE  30          1HD1      ILE  30   1.071  -5.261   1.103
  255   2HD1  ILE  30          2HD1      ILE  30   2.457  -5.174   0.016
  256   3HD1  ILE  30          3HD1      ILE  30   2.055  -3.799   1.043
  257    H    GLN  31           H        GLN  31   2.546  -5.075   6.533
  258    HA   GLN  31           HA       GLN  31   3.491  -2.492   7.416
  259   1HB   GLN  31          1HB       GLN  31   1.117  -3.386   7.691
  260   2HB   GLN  31          2HB       GLN  31   1.757  -4.406   8.973
  261   1HG   GLN  31          1HG       GLN  31   2.448  -2.453  10.224
  262   2HG   GLN  31          2HG       GLN  31   1.903  -1.399   8.919
  263   1HE2  GLN  31          1HE2      GLN  31   0.531  -4.167  10.674
  264   2HE2  GLN  31          2HE2      GLN  31  -0.966  -3.395  11.062
  265    H    ASP  32           H        ASP  32   3.951  -5.868   8.273
  266    HA   ASP  32           HA       ASP  32   5.628  -5.170  10.541
  267   1HB   ASP  32          1HB       ASP  32   4.075  -7.431   9.793
  268   2HB   ASP  32          2HB       ASP  32   5.745  -7.946   9.998
  269    H    LYS  33           H        LYS  33   5.989  -5.646   7.234
  270    HA   LYS  33           HA       LYS  33   8.786  -6.499   7.501
  271   1HB   LYS  33          1HB       LYS  33   6.749  -6.700   5.344
  272   2HB   LYS  33          2HB       LYS  33   8.429  -6.530   4.856
  273   1HG   LYS  33          1HG       LYS  33   7.601  -8.609   6.845
  274   2HG   LYS  33          2HG       LYS  33   7.461  -8.888   5.107
  275   1HD   LYS  33          1HD       LYS  33   9.997  -8.122   6.554
  276   2HD   LYS  33          2HD       LYS  33   9.574  -9.755   6.033
  277   1HE   LYS  33          1HE       LYS  33  10.562  -9.305   4.094
  278   2HE   LYS  33          2HE       LYS  33   9.251  -8.172   3.765
  279   1HZ   LYS  33          1HZ       LYS  33  10.875  -6.718   5.338
  280   2HZ   LYS  33          2HZ       LYS  33  10.891  -6.678   3.647
  281   3HZ   LYS  33          3HZ       LYS  33  11.996  -7.651   4.480
  282    H    GLU  34           H        GLU  34   6.923  -4.238   5.456
  283    HA   GLU  34           HA       GLU  34   9.291  -2.580   5.139
  284   1HB   GLU  34          1HB       GLU  34   6.701  -2.881   3.760
  285   2HB   GLU  34          2HB       GLU  34   7.320  -1.236   3.833
  286   1HG   GLU  34          1HG       GLU  34   9.355  -1.897   2.743
  287   2HG   GLU  34          2HG       GLU  34   8.872  -3.592   2.789
  288    H    GLY  35           H        GLY  35   6.749  -2.800   7.299
  289   1HA   GLY  35          1HA       GLY  35   6.146  -1.438   9.056
  290   2HA   GLY  35          2HA       GLY  35   7.467  -0.372   8.602
  291    H    ILE  36           H        ILE  36   4.858  -1.283   6.438
  292    HA   ILE  36           HA       ILE  36   3.842   1.481   6.608
  293    HB   ILE  36           HB       ILE  36   3.817  -0.201   4.108
  294   1HG1  ILE  36          1HG1      ILE  36   5.814   1.894   4.987
  295   2HG1  ILE  36          2HG1      ILE  36   6.139   0.190   4.686
  296   1HG2  ILE  36          1HG2      ILE  36   2.207   1.420   3.823
  297   2HG2  ILE  36          2HG2      ILE  36   3.631   2.227   3.168
  298   3HG2  ILE  36          3HG2      ILE  36   3.075   2.605   4.798
  299   1HD1  ILE  36          1HD1      ILE  36   5.350   0.668   2.297
  300   2HD1  ILE  36          2HD1      ILE  36   6.935   1.259   2.791
  301   3HD1  ILE  36          3HD1      ILE  36   5.564   2.366   2.720
  302    HA   PRO  37           HA       PRO  37   0.065  -0.584   7.839
  303   1HB   PRO  37          1HB       PRO  37  -1.073   2.080   7.199
  304   2HB   PRO  37          2HB       PRO  37  -1.189   1.135   8.687
  305   1HG   PRO  37          1HG       PRO  37   0.377   3.293   8.547
  306   2HG   PRO  37          2HG       PRO  37   0.875   1.855   9.459
  307   1HD   PRO  37          1HD       PRO  37   1.765   2.795   6.763
  308   2HD   PRO  37          2HD       PRO  37   2.710   2.041   8.064
  309    HA   PRO  38           HA       PRO  38  -1.851  -1.821   4.067
  310   1HB   PRO  38          1HB       PRO  38  -4.430  -1.554   5.524
  311   2HB   PRO  38          2HB       PRO  38  -3.763  -2.944   4.661
  312   1HG   PRO  38          1HG       PRO  38  -3.785  -2.876   7.325
  313   2HG   PRO  38          2HG       PRO  38  -2.413  -3.567   6.440
  314   1HD   PRO  38          1HD       PRO  38  -2.650  -0.924   7.813
  315   2HD   PRO  38          2HD       PRO  38  -1.254  -2.015   7.698
  316    H    ASP  39           H        ASP  39  -3.551   0.753   5.843
  317    HA   ASP  39           HA       ASP  39  -4.878   1.796   3.562
  318   1HB   ASP  39          1HB       ASP  39  -4.441   2.684   6.374
  319   2HB   ASP  39          2HB       ASP  39  -4.932   3.902   5.200
  320    H    GLN  40           H        GLN  40  -1.696   2.158   4.822
  321    HA   GLN  40           HA       GLN  40  -1.178   4.609   3.349
  322   1HB   GLN  40          1HB       GLN  40   0.533   2.889   5.138
  323   2HB   GLN  40          2HB       GLN  40   1.148   4.299   4.285
  324   1HG   GLN  40          1HG       GLN  40   0.286   4.438   6.769
  325   2HG   GLN  40          2HG       GLN  40   0.064   5.764   5.630
  326   1HE2  GLN  40          1HE2      GLN  40  -1.434   3.992   7.920
  327   2HE2  GLN  40          2HE2      GLN  40  -3.078   4.187   7.426
  328    H    GLN  41           H        GLN  41  -1.602   1.642   2.307
  329    HA   GLN  41           HA       GLN  41   0.382   1.933   0.185
  330   1HB   GLN  41          1HB       GLN  41   0.397  -0.772   0.461
  331   2HB   GLN  41          2HB       GLN  41   1.628   0.304   1.110
  332   1HG   GLN  41          1HG       GLN  41   1.043  -0.104   3.221
  333   2HG   GLN  41          2HG       GLN  41  -0.679  -0.018   2.853
  334   1HE2  GLN  41          1HE2      GLN  41   0.536  -1.882   4.597
  335   2HE2  GLN  41          2HE2      GLN  41   0.298  -3.460   3.936
  336    H    ARG  42           H        ARG  42  -0.247   1.135  -1.804
  337    HA   ARG  42           HA       ARG  42  -2.968   0.019  -1.952
  338   1HB   ARG  42          1HB       ARG  42  -2.171   2.538  -2.852
  339   2HB   ARG  42          2HB       ARG  42  -2.222   1.548  -4.304
  340   1HG   ARG  42          1HG       ARG  42  -4.520   0.953  -3.871
  341   2HG   ARG  42          2HG       ARG  42  -4.484   1.826  -2.337
  342   1HD   ARG  42          1HD       ARG  42  -5.282   3.562  -3.495
  343   2HD   ARG  42          2HD       ARG  42  -3.644   3.726  -4.126
  344    HE   ARG  42           HE       ARG  42  -4.913   1.898  -5.757
  345   1HH1  ARG  42          1HH1      ARG  42  -6.093   5.680  -6.334
  346   2HH1  ARG  42          2HH1      ARG  42  -5.358   5.225  -4.833
  347   1HH2  ARG  42          1HH2      ARG  42  -5.879   2.485  -7.738
  348   2HH2  ARG  42          2HH2      ARG  42  -6.390   4.121  -7.986
  349    H    LEU  43           H        LEU  43  -3.034  -1.891  -2.923
  350    HA   LEU  43           HA       LEU  43  -0.729  -2.785  -4.469
  351   1HB   LEU  43          1HB       LEU  43  -3.081  -4.537  -3.947
  352   2HB   LEU  43          2HB       LEU  43  -1.379  -4.948  -4.024
  353    HG   LEU  43           HG       LEU  43  -2.789  -3.571  -1.740
  354   1HD1  LEU  43          1HD1      LEU  43  -1.520  -5.825  -0.808
  355   2HD1  LEU  43          2HD1      LEU  43  -2.151  -6.336  -2.374
  356   3HD1  LEU  43          3HD1      LEU  43  -3.242  -5.675  -1.158
  357   1HD2  LEU  43          1HD2      LEU  43  -0.037  -3.500  -2.519
  358   2HD2  LEU  43          2HD2      LEU  43  -0.201  -4.395  -1.008
  359   3HD2  LEU  43          3HD2      LEU  43  -0.822  -2.748  -1.129
  360    H    ILE  44           H        ILE  44  -0.712  -2.870  -6.616
  361    HA   ILE  44           HA       ILE  44  -3.283  -2.909  -8.049
  362    HB   ILE  44           HB       ILE  44  -0.895  -1.358  -9.029
  363   1HG1  ILE  44          1HG1      ILE  44  -1.804  -0.504  -6.818
  364   2HG1  ILE  44          2HG1      ILE  44  -1.820   0.650  -8.147
  365   1HG2  ILE  44          1HG2      ILE  44  -3.708  -0.777  -9.787
  366   2HG2  ILE  44          2HG2      ILE  44  -2.944  -2.216 -10.461
  367   3HG2  ILE  44          3HG2      ILE  44  -2.227  -0.628 -10.733
  368   1HD1  ILE  44          1HD1      ILE  44  -4.278  -0.896  -7.917
  369   2HD1  ILE  44          2HD1      ILE  44  -4.037   0.841  -8.099
  370   3HD1  ILE  44          3HD1      ILE  44  -3.919   0.096  -6.505
  371    H    PHE  45           H        PHE  45  -3.349  -4.857  -8.974
  372    HA   PHE  45           HA       PHE  45  -0.920  -5.844 -10.318
  373   1HB   PHE  45          1HB       PHE  45  -1.719  -7.248  -8.423
  374   2HB   PHE  45          2HB       PHE  45  -3.244  -7.476  -9.275
  375    HD1  PHE  45           HD1      PHE  45   0.319  -7.592 -10.389
  376    HD2  PHE  45           HD2      PHE  45  -3.397  -9.648 -10.004
  377    HE1  PHE  45           HE1      PHE  45   1.275  -9.532 -11.572
  378    HE2  PHE  45           HE2      PHE  45  -2.448 -11.593 -11.185
  379    HZ   PHE  45           HZ       PHE  45  -0.110 -11.536 -11.970
  380    H    ALA  46           H        ALA  46  -0.981  -5.954 -12.459
  381    HA   ALA  46           HA       ALA  46  -1.739  -5.867 -14.605
  382   1HB   ALA  46          1HB       ALA  46  -3.346  -7.858 -13.226
  383   2HB   ALA  46          2HB       ALA  46  -2.590  -7.919 -14.818
  384   3HB   ALA  46          3HB       ALA  46  -4.172  -7.166 -14.620
  385    H    GLY  47           H        GLY  47  -2.378  -3.627 -12.991
  386   1HA   GLY  47          1HA       GLY  47  -3.569  -1.673 -13.248
  387   2HA   GLY  47          2HA       GLY  47  -4.370  -2.410 -14.628
  388    H    LYS  48           H        LYS  48  -4.631  -4.359 -11.905
  389    HA   LYS  48           HA       LYS  48  -7.305  -3.267 -11.319
  390   1HB   LYS  48          1HB       LYS  48  -6.739  -5.738 -12.367
  391   2HB   LYS  48          2HB       LYS  48  -6.851  -6.088 -10.647
  392   1HG   LYS  48          1HG       LYS  48  -9.030  -4.409 -11.360
  393   2HG   LYS  48          2HG       LYS  48  -8.942  -5.740 -12.515
  394   1HD   LYS  48          1HD       LYS  48  -8.490  -6.845  -9.960
  395   2HD   LYS  48          2HD       LYS  48  -9.871  -5.756  -9.807
  396   1HE   LYS  48          1HE       LYS  48  -9.584  -7.942 -11.867
  397   2HE   LYS  48          2HE       LYS  48 -10.544  -8.050 -10.392
  398   1HZ   LYS  48          1HZ       LYS  48 -12.156  -7.383 -11.803
  399   2HZ   LYS  48          2HZ       LYS  48 -11.090  -6.604 -12.860
  400   3HZ   LYS  48          3HZ       LYS  48 -11.559  -5.845 -11.424
  401    H    GLN  49           H        GLN  49  -7.161  -2.203  -9.449
  402    HA   GLN  49           HA       GLN  49  -5.278  -2.754  -7.419
  403   1HB   GLN  49          1HB       GLN  49  -6.312  -0.545  -7.719
  404   2HB   GLN  49          2HB       GLN  49  -7.873  -1.211  -7.254
  405   1HG   GLN  49          1HG       GLN  49  -5.765  -1.690  -5.296
  406   2HG   GLN  49          2HG       GLN  49  -6.100   0.017  -5.582
  407   1HE2  GLN  49          1HE2      GLN  49  -6.589  -1.032  -3.138
  408   2HE2  GLN  49          2HE2      GLN  49  -8.290  -1.147  -2.861
  409    H    LEU  50           H        LEU  50  -5.341  -4.043  -5.674
  410    HA   LEU  50           HA       LEU  50  -7.288  -6.102  -5.515
  411   1HB   LEU  50          1HB       LEU  50  -5.233  -5.287  -3.460
  412   2HB   LEU  50          2HB       LEU  50  -6.094  -6.814  -3.510
  413    HG   LEU  50           HG       LEU  50  -3.816  -5.871  -5.173
  414   1HD1  LEU  50          1HD1      LEU  50  -3.692  -8.584  -4.923
  415   2HD1  LEU  50          2HD1      LEU  50  -4.513  -8.114  -3.434
  416   3HD1  LEU  50          3HD1      LEU  50  -2.937  -7.425  -3.827
  417   1HD2  LEU  50          1HD2      LEU  50  -5.881  -7.848  -6.130
  418   2HD2  LEU  50          2HD2      LEU  50  -4.319  -7.549  -6.891
  419   3HD2  LEU  50          3HD2      LEU  50  -5.536  -6.272  -6.843
  420    H    GLU  51           H        GLU  51  -9.080  -6.300  -4.293
  421    HA   GLU  51           HA       GLU  51  -9.850  -3.981  -2.670
  422   1HB   GLU  51          1HB       GLU  51 -11.472  -6.178  -3.952
  423   2HB   GLU  51          2HB       GLU  51 -12.157  -5.010  -2.830
  424   1HG   GLU  51          1HG       GLU  51 -12.386  -3.509  -4.436
  425   2HG   GLU  51          2HG       GLU  51 -10.688  -3.658  -4.890
  426    H    ASP  52           H        ASP  52  -9.648  -4.138  -0.546
  427    HA   ASP  52           HA       ASP  52  -8.813  -6.299   0.902
  428   1HB   ASP  52          1HB       ASP  52  -9.519  -3.720   1.507
  429   2HB   ASP  52          2HB       ASP  52 -10.741  -4.644   2.374
  430    H    GLY  53           H        GLY  53  -9.748  -7.962   2.054
  431   1HA   GLY  53          1HA       GLY  53 -11.532  -9.241   2.908
  432   2HA   GLY  53          2HA       GLY  53 -12.648  -8.291   1.939
  433    H    ARG  54           H        ARG  54 -10.562  -8.784  -0.326
  434    HA   ARG  54           HA       ARG  54 -11.862 -11.219  -1.263
  435   1HB   ARG  54          1HB       ARG  54  -9.994  -9.385  -2.770
  436   2HB   ARG  54          2HB       ARG  54 -11.033 -10.627  -3.454
  437   1HG   ARG  54          1HG       ARG  54 -12.191  -8.344  -1.905
  438   2HG   ARG  54          2HG       ARG  54 -11.767  -8.169  -3.609
  439   1HD   ARG  54          1HD       ARG  54 -13.663  -9.157  -4.199
  440   2HD   ARG  54          2HD       ARG  54 -13.209 -10.598  -3.291
  441    HE   ARG  54           HE       ARG  54 -14.188  -8.752  -1.462
  442   1HH1  ARG  54          1HH1      ARG  54 -16.978 -10.640  -3.624
  443   2HH1  ARG  54          2HH1      ARG  54 -15.348 -10.558  -4.203
  444   1HH2  ARG  54          1HH2      ARG  54 -16.332  -8.854  -0.689
  445   2HH2  ARG  54          2HH2      ARG  54 -17.537  -9.670  -1.626
  446    H    THR  55           H        THR  55 -10.477 -12.761  -2.558
  447    HA   THR  55           HA       THR  55  -8.026 -13.316  -1.033
  448    HB   THR  55           HB       THR  55  -8.300 -15.645  -1.740
  449    HG1  THR  55           HG1      THR  55  -9.815 -16.252  -3.124
  450   1HG2  THR  55          1HG2      THR  55  -9.420 -15.154   0.299
  451   2HG2  THR  55          2HG2      THR  55 -10.482 -16.175  -0.670
  452   3HG2  THR  55          3HG2      THR  55 -10.787 -14.442  -0.559
  453    H    LEU  56           H        LEU  56  -6.153 -14.075  -2.134
  454    HA   LEU  56           HA       LEU  56  -5.498 -12.629  -4.445
  455   1HB   LEU  56          1HB       LEU  56  -4.138 -15.084  -3.334
  456   2HB   LEU  56          2HB       LEU  56  -3.438 -13.955  -4.477
  457    HG   LEU  56           HG       LEU  56  -4.292 -13.183  -1.690
  458   1HD1  LEU  56          1HD1      LEU  56  -1.439 -13.259  -2.210
  459   2HD1  LEU  56          2HD1      LEU  56  -2.187 -14.851  -2.329
  460   3HD1  LEU  56          3HD1      LEU  56  -2.361 -13.904  -0.851
  461   1HD2  LEU  56          1HD2      LEU  56  -2.224 -11.657  -3.081
  462   2HD2  LEU  56          2HD2      LEU  56  -3.637 -11.101  -2.184
  463   3HD2  LEU  56          3HD2      LEU  56  -3.803 -11.603  -3.866
  464    H    SER  57           H        SER  57  -6.560 -15.961  -3.996
  465    HA   SER  57           HA       SER  57  -6.077 -16.906  -6.584
  466   1HB   SER  57          1HB       SER  57  -6.627 -18.432  -4.780
  467   2HB   SER  57          2HB       SER  57  -8.222 -17.700  -4.601
  468    HG   SER  57           HG       SER  57  -8.013 -18.399  -7.120
  469    H    ASP  58           H        ASP  58  -8.488 -14.763  -5.370
  470    HA   ASP  58           HA       ASP  58 -10.417 -15.133  -7.430
  471   1HB   ASP  58          1HB       ASP  58  -9.952 -12.770  -5.598
  472   2HB   ASP  58          2HB       ASP  58 -11.376 -13.008  -6.606
  473    H    TYR  59           H        TYR  59  -7.566 -13.140  -7.065
  474    HA   TYR  59           HA       TYR  59  -8.134 -11.773  -9.592
  475   1HB   TYR  59          1HB       TYR  59  -5.910 -11.285  -7.599
  476   2HB   TYR  59          2HB       TYR  59  -6.277 -10.293  -9.006
  477    HD1  TYR  59           HD1      TYR  59  -6.667 -10.533  -5.556
  478    HD2  TYR  59           HD2      TYR  59  -8.841  -9.473  -9.068
  479    HE1  TYR  59           HE1      TYR  59  -8.203  -9.175  -4.189
  480    HE2  TYR  59           HE2      TYR  59 -10.381  -8.112  -7.710
  481    HH   TYR  59           HH       TYR  59 -10.983  -7.511  -5.647
  482    H    ASN  60           H        ASN  60  -7.458 -14.578  -9.564
  483    HA   ASN  60           HA       ASN  60  -5.972 -16.099 -10.428
  484   1HB   ASN  60          1HB       ASN  60  -5.397 -15.650 -12.705
  485   2HB   ASN  60          2HB       ASN  60  -6.957 -14.890 -12.408
  486   1HD2  ASN  60          1HD2      ASN  60  -7.030 -12.612 -12.120
  487   2HD2  ASN  60          2HD2      ASN  60  -5.803 -11.603 -12.797
  488    H    LEU  61           H        LEU  61  -4.647 -15.376  -8.394
  489    HA   LEU  61           HA       LEU  61  -2.139 -14.081  -9.109
  490   1HB   LEU  61          1HB       LEU  61  -3.528 -14.787  -6.589
  491   2HB   LEU  61          2HB       LEU  61  -1.775 -14.790  -6.543
  492    HG   LEU  61           HG       LEU  61  -3.167 -12.627  -5.944
  493   1HD1  LEU  61          1HD1      LEU  61  -0.590 -13.114  -6.298
  494   2HD1  LEU  61          2HD1      LEU  61  -1.208 -11.476  -6.085
  495   3HD1  LEU  61          3HD1      LEU  61  -0.841 -12.076  -7.703
  496   1HD2  LEU  61          1HD2      LEU  61  -4.044 -12.878  -8.469
  497   2HD2  LEU  61          2HD2      LEU  61  -2.634 -11.855  -8.741
  498   3HD2  LEU  61          3HD2      LEU  61  -3.905 -11.329  -7.637
  499    H    GLN  62           H        GLN  62  -0.629 -15.295 -10.034
  500    HA   GLN  62           HA       GLN  62  -0.440 -18.135  -9.342
  501   1HB   GLN  62          1HB       GLN  62   1.054 -16.701 -11.534
  502   2HB   GLN  62          2HB       GLN  62   0.797 -18.431 -11.358
  503   1HG   GLN  62          1HG       GLN  62  -1.757 -17.314 -11.436
  504   2HG   GLN  62          2HG       GLN  62  -0.830 -16.458 -12.668
  505   1HE2  GLN  62          1HE2      GLN  62  -2.751 -17.805 -13.708
  506   2HE2  GLN  62          2HE2      GLN  62  -2.246 -19.308 -14.397
  507    H    LYS  63           H        LYS  63   2.055 -18.847  -9.692
  508    HA   LYS  63           HA       LYS  63   3.413 -17.710  -7.432
  509   1HB   LYS  63          1HB       LYS  63   3.394 -20.187  -8.592
  510   2HB   LYS  63          2HB       LYS  63   4.932 -19.547  -9.155
  511   1HG   LYS  63          1HG       LYS  63   4.966 -18.897  -6.497
  512   2HG   LYS  63          2HG       LYS  63   4.135 -20.454  -6.503
  513   1HD   LYS  63          1HD       LYS  63   6.196 -20.909  -8.236
  514   2HD   LYS  63          2HD       LYS  63   6.937 -19.809  -7.070
  515   1HE   LYS  63          1HE       LYS  63   5.568 -21.548  -5.455
  516   2HE   LYS  63          2HE       LYS  63   6.105 -22.596  -6.766
  517   1HZ   LYS  63          1HZ       LYS  63   8.303 -22.232  -6.277
  518   2HZ   LYS  63          2HZ       LYS  63   7.628 -22.185  -4.727
  519   3HZ   LYS  63          3HZ       LYS  63   8.020 -20.744  -5.522
  520    H    GLU  64           H        GLU  64   5.122 -16.355  -7.391
  521    HA   GLU  64           HA       GLU  64   6.817 -14.996  -8.101
  522   1HB   GLU  64          1HB       GLU  64   6.511 -16.165 -10.862
  523   2HB   GLU  64          2HB       GLU  64   7.925 -15.382 -10.171
  524   1HG   GLU  64          1HG       GLU  64   8.576 -17.235  -9.041
  525   2HG   GLU  64          2HG       GLU  64   6.925 -17.811  -8.811
  526    H    SER  65           H        SER  65   4.167 -14.119  -8.022
  527    HA   SER  65           HA       SER  65   3.611 -12.618 -10.428
  528   1HB   SER  65          1HB       SER  65   2.266 -12.555  -7.715
  529   2HB   SER  65          2HB       SER  65   1.671 -11.756  -9.170
  530    HG   SER  65           HG       SER  65   1.676 -14.454  -8.487
  531    H    THR  66           H        THR  66   3.162 -10.237 -10.252
  532    HA   THR  66           HA       THR  66   5.101  -8.924  -8.465
  533    HB   THR  66           HB       THR  66   4.543  -8.190 -11.347
  534    HG1  THR  66           HG1      THR  66   6.468  -9.779 -10.133
  535   1HG2  THR  66          1HG2      THR  66   5.900  -6.407 -11.172
  536   2HG2  THR  66          2HG2      THR  66   6.923  -7.165  -9.952
  537   3HG2  THR  66          3HG2      THR  66   5.376  -6.455  -9.490
  538    H    ILE  67           H        ILE  67   4.117  -7.566  -7.136
  539    HA   ILE  67           HA       ILE  67   1.621  -6.277  -8.029
  540    HB   ILE  67           HB       ILE  67   2.516  -7.064  -5.259
  541   1HG1  ILE  67          1HG1      ILE  67   0.280  -8.252  -5.318
  542   2HG1  ILE  67          2HG1      ILE  67   0.204  -7.860  -7.034
  543   1HG2  ILE  67          1HG2      ILE  67   1.543  -4.853  -5.123
  544   2HG2  ILE  67          2HG2      ILE  67   0.430  -6.042  -4.447
  545   3HG2  ILE  67          3HG2      ILE  67   0.145  -5.383  -6.058
  546   1HD1  ILE  67          1HD1      ILE  67   1.342 -10.105  -5.886
  547   2HD1  ILE  67          2HD1      ILE  67   2.716  -9.102  -6.354
  548   3HD1  ILE  67          3HD1      ILE  67   1.511  -9.565  -7.557
  549    H    HIS  68           H        HIS  68   1.604  -4.134  -8.214
  550    HA   HIS  68           HA       HIS  68   3.958  -2.633  -7.395
  551   1HB   HIS  68          1HB       HIS  68   1.543  -1.648  -8.922
  552   2HB   HIS  68          2HB       HIS  68   3.110  -0.855  -8.787
  553    HD1  HIS  68           HD1      HIS  68   3.547  -0.868 -11.307
  554    HD2  HIS  68           HD2      HIS  68   2.913  -4.649  -9.707
  555    HE1  HIS  68           HE1      HIS  68   4.216  -2.483 -13.114
  556    HE2  HIS  68           HE2      HIS  68   3.918  -4.764 -12.088
  557    H    LEU  69           H        LEU  69   4.006  -1.819  -5.411
  558    HA   LEU  69           HA       LEU  69   1.510  -1.107  -4.071
  559   1HB   LEU  69          1HB       LEU  69   3.154  -2.524  -2.895
  560   2HB   LEU  69          2HB       LEU  69   4.327  -1.225  -2.995
  561    HG   LEU  69           HG       LEU  69   1.689  -0.825  -1.614
  562   1HD1  LEU  69          1HD1      LEU  69   2.261  -2.298  -0.054
  563   2HD1  LEU  69          2HD1      LEU  69   3.609  -1.235   0.353
  564   3HD1  LEU  69          3HD1      LEU  69   3.843  -2.559  -0.788
  565   1HD2  LEU  69          1HD2      LEU  69   2.495   1.201  -1.224
  566   2HD2  LEU  69          2HD2      LEU  69   3.910   0.808  -2.200
  567   3HD2  LEU  69          3HD2      LEU  69   3.930   0.513  -0.462
  568    H    VAL  70           H        VAL  70   0.802   0.906  -4.224
  569    HA   VAL  70           HA       VAL  70   2.738   3.068  -4.680
  570    HB   VAL  70           HB       VAL  70   0.008   3.949  -4.890
  571   1HG1  VAL  70          1HG1      VAL  70   2.524   4.086  -6.337
  572   2HG1  VAL  70          2HG1      VAL  70   1.234   5.280  -6.193
  573   3HG1  VAL  70          3HG1      VAL  70   1.126   4.007  -7.409
  574   1HG2  VAL  70          1HG2      VAL  70  -0.673   1.745  -5.438
  575   2HG2  VAL  70          2HG2      VAL  70   0.732   1.494  -6.476
  576   3HG2  VAL  70          3HG2      VAL  70  -0.535   2.620  -6.964
  577    H    LEU  71           H        LEU  71   2.806   4.870  -3.385
  578    HA   LEU  71           HA       LEU  71   1.972   4.530  -0.678
  579   1HB   LEU  71          1HB       LEU  71   4.046   5.748  -1.540
  580   2HB   LEU  71          2HB       LEU  71   2.976   7.087  -1.908
  581    HG   LEU  71           HG       LEU  71   4.321   6.947   0.373
  582   1HD1  LEU  71          1HD1      LEU  71   1.456   7.846   0.424
  583   2HD1  LEU  71          2HD1      LEU  71   2.701   8.702  -0.485
  584   3HD1  LEU  71          3HD1      LEU  71   2.841   8.540   1.265
  585   1HD2  LEU  71          1HD2      LEU  71   1.754   5.495   0.999
  586   2HD2  LEU  71          2HD2      LEU  71   2.930   6.078   2.176
  587   3HD2  LEU  71          3HD2      LEU  71   3.373   4.800   1.046
  588    H    ARG  72           H        ARG  72  -0.362   4.276  -1.525
  589    HA   ARG  72           HA       ARG  72  -2.476   5.108  -1.872
  590   1HB   ARG  72          1HB       ARG  72  -2.197   5.318   0.544
  591   2HB   ARG  72          2HB       ARG  72  -1.470   6.905   0.341
  592   1HG   ARG  72          1HG       ARG  72  -3.457   7.927   0.008
  593   2HG   ARG  72          2HG       ARG  72  -4.162   6.534  -0.815
  594   1HD   ARG  72          1HD       ARG  72  -5.148   5.863   1.059
  595   2HD   ARG  72          2HD       ARG  72  -3.610   5.876   1.921
  596    HE   ARG  72           HE       ARG  72  -4.563   8.510   1.683
  597   1HH1  ARG  72          1HH1      ARG  72  -6.002   6.311   4.703
  598   2HH1  ARG  72          2HH1      ARG  72  -5.277   5.531   3.337
  599   1HH2  ARG  72          1HH2      ARG  72  -5.514   9.549   3.476
  600   2HH2  ARG  72          2HH2      ARG  72  -6.138   8.596   4.781
  601    H    LEU  73           H        LEU  73  -2.585   5.998  -3.885
  602    HA   LEU  73           HA       LEU  73  -1.581   8.671  -4.374
  603   1HB   LEU  73          1HB       LEU  73  -2.945   6.611  -6.089
  604   2HB   LEU  73          2HB       LEU  73  -2.643   8.239  -6.666
  605    HG   LEU  73           HG       LEU  73  -0.499   6.333  -5.723
  606   1HD1  LEU  73          1HD1      LEU  73  -1.864   6.622  -8.279
  607   2HD1  LEU  73          2HD1      LEU  73  -0.815   5.332  -7.691
  608   3HD1  LEU  73          3HD1      LEU  73  -0.112   6.785  -8.402
  609   1HD2  LEU  73          1HD2      LEU  73   0.742   8.170  -7.246
  610   2HD2  LEU  73          2HD2      LEU  73   0.585   8.295  -5.494
  611   3HD2  LEU  73          3HD2      LEU  73  -0.537   9.161  -6.545
  612    H    ARG  74           H        ARG  74  -3.273   9.934  -5.937
  613    HA   ARG  74           HA       ARG  74  -5.779  10.143  -4.400
  614   1HB   ARG  74          1HB       ARG  74  -3.738  12.106  -4.821
  615   2HB   ARG  74          2HB       ARG  74  -5.206  12.636  -5.630
  616   1HG   ARG  74          1HG       ARG  74  -5.211  11.700  -2.780
  617   2HG   ARG  74          2HG       ARG  74  -4.870  13.374  -3.225
  618   1HD   ARG  74          1HD       ARG  74  -7.014  13.718  -4.064
  619   2HD   ARG  74          2HD       ARG  74  -7.323  11.991  -4.243
  620    HE   ARG  74           HE       ARG  74  -6.938  12.770  -1.517
  621   1HH1  ARG  74          1HH1      ARG  74 -10.625  12.534  -3.059
  622   2HH1  ARG  74          2HH1      ARG  74  -9.252  12.601  -4.113
  623   1HH2  ARG  74          1HH2      ARG  74  -8.738  12.683  -0.118
  624   2HH2  ARG  74          2HH2      ARG  74 -10.333  12.582  -0.787
  625    H    GLY  75           H        GLY  75  -6.509   8.609  -6.103
  626   1HA   GLY  75          1HA       GLY  75  -8.076   8.424  -7.819
  627   2HA   GLY  75          2HA       GLY  75  -7.780  10.105  -8.236
  628    H    GLY  76           H        GLY  76  -7.154   6.861  -9.019
  629   1HA   GLY  76          1HA       GLY  76  -5.838   5.850 -10.613
  630   2HA   GLY  76          2HA       GLY  76  -6.140   7.318 -11.530
  Start of MODEL    5
    1   1H    MET   1          1H        MET   1   4.127 -21.001  -2.658
    2   2H    MET   1          2H        MET   1   2.474 -21.462  -2.649
    3   3H    MET   1          3H        MET   1   3.058 -20.333  -1.495
    4    HA   MET   1           HA       MET   1   3.150 -19.863  -4.390
    5   1HB   MET   1          1HB       MET   1   0.860 -20.087  -4.038
    6   2HB   MET   1          2HB       MET   1   0.953 -19.494  -2.385
    7   1HG   MET   1          1HG       MET   1   1.179 -17.252  -3.106
    8   2HG   MET   1          2HG       MET   1   1.439 -17.747  -4.777
    9   1HE   MET   1          1HE       MET   1  -1.154 -15.502  -4.477
   10   2HE   MET   1          2HE       MET   1  -1.694 -16.414  -5.886
   11   3HE   MET   1          3HE       MET   1   0.030 -16.163  -5.605
   12    H    GLN   2           H        GLN   2   4.774 -18.448  -4.572
   13    HA   GLN   2           HA       GLN   2   5.182 -16.453  -2.464
   14   1HB   GLN   2          1HB       GLN   2   7.184 -17.639  -2.993
   15   2HB   GLN   2          2HB       GLN   2   6.934 -17.422  -4.720
   16   1HG   GLN   2          1HG       GLN   2   7.742 -15.307  -4.718
   17   2HG   GLN   2          2HG       GLN   2   7.178 -14.974  -3.081
   18   1HE2  GLN   2          1HE2      GLN   2   8.313 -16.576  -1.449
   19   2HE2  GLN   2          2HE2      GLN   2  10.036 -16.592  -1.573
   20    H    LEU   3           H        LEU   3   5.442 -14.233  -2.973
   21    HA   LEU   3           HA       LEU   3   4.547 -13.378  -5.625
   22   1HB   LEU   3          1HB       LEU   3   3.371 -12.155  -3.143
   23   2HB   LEU   3          2HB       LEU   3   2.849 -11.952  -4.803
   24    HG   LEU   3           HG       LEU   3   2.712 -14.680  -3.612
   25   1HD1  LEU   3          1HD1      LEU   3   0.542 -12.652  -3.158
   26   2HD1  LEU   3          2HD1      LEU   3   1.767 -13.025  -1.947
   27   3HD1  LEU   3          3HD1      LEU   3   0.668 -14.286  -2.507
   28   1HD2  LEU   3          1HD2      LEU   3   1.829 -13.357  -5.967
   29   2HD2  LEU   3          2HD2      LEU   3   0.410 -13.881  -5.060
   30   3HD2  LEU   3          3HD2      LEU   3   1.644 -15.054  -5.520
   31    H    PHE   4           H        PHE   4   5.278 -11.351  -6.254
   32    HA   PHE   4           HA       PHE   4   7.279 -10.142  -4.462
   33   1HB   PHE   4          1HB       PHE   4   7.223 -10.328  -7.477
   34   2HB   PHE   4          2HB       PHE   4   8.354  -9.313  -6.588
   35    HD1  PHE   4           HD1      PHE   4   7.211 -12.840  -6.912
   36    HD2  PHE   4           HD2      PHE   4  10.378 -10.183  -5.863
   37    HE1  PHE   4           HE1      PHE   4   8.740 -14.761  -6.676
   38    HE2  PHE   4           HE2      PHE   4  11.911 -12.098  -5.626
   39    HZ   PHE   4           HZ       PHE   4  11.093 -14.389  -6.034
   40    H    VAL   5           H        VAL   5   6.992  -8.092  -3.866
   41    HA   VAL   5           HA       VAL   5   5.071  -6.454  -5.388
   42    HB   VAL   5           HB       VAL   5   5.485  -6.386  -2.396
   43   1HG1  VAL   5          1HG1      VAL   5   4.863  -4.225  -3.255
   44   2HG1  VAL   5          2HG1      VAL   5   3.474  -4.938  -2.435
   45   3HG1  VAL   5          3HG1      VAL   5   3.551  -4.934  -4.197
   46   1HG2  VAL   5          1HG2      VAL   5   3.877  -7.911  -2.142
   47   2HG2  VAL   5          2HG2      VAL   5   4.075  -8.271  -3.858
   48   3HG2  VAL   5          3HG2      VAL   5   2.841  -7.126  -3.334
   49    H    LYS   6           H        LYS   6   6.076  -4.814  -6.334
   50    HA   LYS   6           HA       LYS   6   8.524  -3.741  -5.131
   51   1HB   LYS   6          1HB       LYS   6   9.175  -3.033  -7.241
   52   2HB   LYS   6          2HB       LYS   6   8.302  -4.514  -7.605
   53   1HG   LYS   6          1HG       LYS   6   7.087  -3.350  -9.041
   54   2HG   LYS   6          2HG       LYS   6   6.370  -2.511  -7.664
   55   1HD   LYS   6          1HD       LYS   6   7.158  -0.737  -8.898
   56   2HD   LYS   6          2HD       LYS   6   8.528  -1.035  -7.826
   57   1HE   LYS   6          1HE       LYS   6   9.131  -2.693  -9.871
   58   2HE   LYS   6          2HE       LYS   6   8.270  -1.421 -10.738
   59   1HZ   LYS   6          1HZ       LYS   6   9.779   0.205  -9.824
   60   2HZ   LYS   6          2HZ       LYS   6  10.663  -1.006 -10.608
   61   3HZ   LYS   6          3HZ       LYS   6  10.577  -0.981  -8.919
   62    H    THR   7           H        THR   7   8.836  -1.464  -4.938
   63    HA   THR   7           HA       THR   7   6.308   0.003  -4.579
   64    HB   THR   7           HB       THR   7   7.724   1.467  -3.045
   65    HG1  THR   7           HG1      THR   7   9.774   0.954  -3.440
   66   1HG2  THR   7          1HG2      THR   7   6.660   0.322  -1.488
   67   2HG2  THR   7          2HG2      THR   7   7.985  -0.841  -1.496
   68   3HG2  THR   7          3HG2      THR   7   6.577  -1.102  -2.525
   69    H    LEU   8           H        LEU   8   7.024   2.545  -4.479
   70    HA   LEU   8           HA       LEU   8   7.808   3.110  -7.213
   71   1HB   LEU   8          1HB       LEU   8   6.094   4.302  -5.314
   72   2HB   LEU   8          2HB       LEU   8   7.360   5.469  -5.640
   73    HG   LEU   8           HG       LEU   8   5.480   4.224  -7.643
   74   1HD1  LEU   8          1HD1      LEU   8   5.610   7.075  -7.668
   75   2HD1  LEU   8          2HD1      LEU   8   5.302   6.520  -6.023
   76   3HD1  LEU   8          3HD1      LEU   8   4.231   6.028  -7.333
   77   1HD2  LEU   8          1HD2      LEU   8   8.091   4.899  -8.143
   78   2HD2  LEU   8          2HD2      LEU   8   7.216   6.369  -8.575
   79   3HD2  LEU   8          3HD2      LEU   8   6.796   4.834  -9.338
   80    H    THR   9           H        THR   9   9.676   2.316  -4.874
   81    HA   THR   9           HA       THR   9  11.640   4.455  -5.365
   82    HB   THR   9           HB       THR   9  12.545   3.660  -3.032
   83    HG1  THR   9           HG1      THR   9  10.923   2.947  -1.671
   84   1HG2  THR   9          1HG2      THR   9  10.454   5.147  -2.066
   85   2HG2  THR   9          2HG2      THR   9  10.577   5.669  -3.746
   86   3HG2  THR   9          3HG2      THR   9  11.980   5.776  -2.684
   87    H    GLY  10           H        GLY  10  10.975   1.573  -6.374
   88   1HA   GLY  10          1HA       GLY  10  12.367   0.068  -7.476
   89   2HA   GLY  10          2HA       GLY  10  13.753   0.830  -6.710
   90    H    LYS  11           H        LYS  11  11.943   0.414  -4.147
   91    HA   LYS  11           HA       LYS  11  13.329  -1.927  -3.281
   92   1HB   LYS  11          1HB       LYS  11  12.054   0.227  -2.044
   93   2HB   LYS  11          2HB       LYS  11  11.097  -1.176  -1.588
   94   1HG   LYS  11          1HG       LYS  11  13.765  -1.951  -1.271
   95   2HG   LYS  11          2HG       LYS  11  13.654  -0.316  -0.613
   96   1HD   LYS  11          1HD       LYS  11  12.479  -1.005   1.158
   97   2HD   LYS  11          2HD       LYS  11  11.403  -1.987   0.161
   98   1HE   LYS  11          1HE       LYS  11  12.394  -3.676   1.297
   99   2HE   LYS  11          2HE       LYS  11  13.606  -3.497   0.031
  100   1HZ   LYS  11          1HZ       LYS  11  13.762  -2.103   2.643
  101   2HZ   LYS  11          2HZ       LYS  11  14.971  -2.223   1.468
  102   3HZ   LYS  11          3HZ       LYS  11  14.502  -3.595   2.338
  103    H    THR  12           H        THR  12  12.719  -3.985  -3.420
  104    HA   THR  12           HA       THR  12   9.876  -4.573  -3.919
  105    HB   THR  12           HB       THR  12  12.104  -6.253  -5.043
  106    HG1  THR  12           HG1      THR  12  12.161  -5.021  -6.827
  107   1HG2  THR  12          1HG2      THR  12   9.242  -6.315  -5.178
  108   2HG2  THR  12          2HG2      THR  12  10.422  -7.477  -5.783
  109   3HG2  THR  12          3HG2      THR  12   9.931  -6.114  -6.788
  110    H    LEU  13           H        LEU  13   8.969  -6.020  -2.598
  111    HA   LEU  13           HA       LEU  13  10.742  -7.523  -0.791
  112   1HB   LEU  13          1HB       LEU  13   9.097  -7.416   0.873
  113   2HB   LEU  13          2HB       LEU  13   9.118  -5.814   0.162
  114    HG   LEU  13           HG       LEU  13   7.167  -6.855  -1.321
  115   1HD1  LEU  13          1HD1      LEU  13   6.925  -9.009  -0.586
  116   2HD1  LEU  13          2HD1      LEU  13   5.776  -8.183   0.467
  117   3HD1  LEU  13          3HD1      LEU  13   7.377  -8.612   1.072
  118   1HD2  LEU  13          1HD2      LEU  13   5.585  -5.826   0.180
  119   2HD2  LEU  13          2HD2      LEU  13   7.057  -4.857   0.123
  120   3HD2  LEU  13          3HD2      LEU  13   6.744  -5.904   1.507
  121    H    THR  14           H        THR  14   9.699  -9.601   0.042
  122    HA   THR  14           HA       THR  14   8.157 -10.942  -2.066
  123    HB   THR  14           HB       THR  14  10.727 -11.915  -0.819
  124    HG1  THR  14           HG1      THR  14  10.149 -11.972  -3.548
  125   1HG2  THR  14          1HG2      THR  14   8.586 -13.562  -1.382
  126   2HG2  THR  14          2HG2      THR  14  10.277 -14.041  -1.240
  127   3HG2  THR  14          3HG2      THR  14   9.597 -13.664  -2.823
  128    H    VAL  15           H        VAL  15   6.422 -11.899  -1.261
  129    HA   VAL  15           HA       VAL  15   6.437 -12.681   1.581
  130    HB   VAL  15           HB       VAL  15   3.833 -12.557   1.165
  131   1HG1  VAL  15          1HG1      VAL  15   5.218 -11.235   2.774
  132   2HG1  VAL  15          2HG1      VAL  15   3.816 -10.377   2.138
  133   3HG1  VAL  15          3HG1      VAL  15   5.426 -10.024   1.510
  134   1HG2  VAL  15          1HG2      VAL  15   3.072 -11.269  -0.540
  135   2HG2  VAL  15          2HG2      VAL  15   4.551 -11.846  -1.310
  136   3HG2  VAL  15          3HG2      VAL  15   4.512 -10.250  -0.559
  137    H    GLU  16           H        GLU  16   5.283 -14.599   2.164
  138    HA   GLU  16           HA       GLU  16   4.801 -16.451  -0.072
  139   1HB   GLU  16          1HB       GLU  16   5.844 -17.568   2.474
  140   2HB   GLU  16          2HB       GLU  16   6.101 -18.107   0.821
  141   1HG   GLU  16          1HG       GLU  16   7.470 -15.885   0.632
  142   2HG   GLU  16          2HG       GLU  16   7.551 -16.035   2.387
  143    H    LEU  17           H        LEU  17   2.665 -16.745  -0.065
  144    HA   LEU  17           HA       LEU  17   1.427 -17.828   2.329
  145   1HB   LEU  17          1HB       LEU  17  -0.236 -15.785   1.012
  146   2HB   LEU  17          2HB       LEU  17  -0.108 -16.210   2.707
  147    HG   LEU  17           HG       LEU  17   2.066 -14.963   2.782
  148   1HD1  LEU  17          1HD1      LEU  17   1.399 -14.655  -0.066
  149   2HD1  LEU  17          2HD1      LEU  17   2.965 -14.660   0.743
  150   3HD1  LEU  17          3HD1      LEU  17   1.975 -13.200   0.748
  151   1HD2  LEU  17          1HD2      LEU  17  -0.428 -14.065   3.148
  152   2HD2  LEU  17          2HD2      LEU  17   0.079 -12.987   1.847
  153   3HD2  LEU  17          3HD2      LEU  17   1.000 -13.051   3.350
  154    H    GLU  18           H        GLU  18  -0.876 -18.548   1.828
  155    HA   GLU  18           HA       GLU  18  -0.819 -19.917  -0.743
  156   1HB   GLU  18          1HB       GLU  18  -2.815 -20.240   1.500
  157   2HB   GLU  18          2HB       GLU  18  -2.553 -21.331   0.147
  158   1HG   GLU  18          1HG       GLU  18  -0.215 -20.792   1.860
  159   2HG   GLU  18          2HG       GLU  18  -1.528 -21.718   2.588
  160    HA   PRO  19           HA       PRO  19  -3.647 -17.455  -3.027
  161   1HB   PRO  19          1HB       PRO  19  -5.216 -19.978  -3.338
  162   2HB   PRO  19          2HB       PRO  19  -4.695 -18.821  -4.567
  163   1HG   PRO  19          1HG       PRO  19  -3.426 -21.147  -4.250
  164   2HG   PRO  19          2HG       PRO  19  -2.537 -19.663  -4.632
  165   1HD   PRO  19          1HD       PRO  19  -2.719 -21.156  -2.070
  166   2HD   PRO  19          2HD       PRO  19  -1.393 -20.170  -2.714
  167    H    SER  20           H        SER  20  -4.735 -19.505  -0.437
  168    HA   SER  20           HA       SER  20  -7.408 -18.584  -0.284
  169   1HB   SER  20          1HB       SER  20  -7.545 -19.760   1.759
  170   2HB   SER  20          2HB       SER  20  -6.375 -20.671   0.805
  171    HG   SER  20           HG       SER  20  -5.878 -18.861   2.923
  172    H    ASP  21           H        ASP  21  -4.392 -17.522   1.213
  173    HA   ASP  21           HA       ASP  21  -5.185 -15.798   3.140
  174   1HB   ASP  21          1HB       ASP  21  -3.030 -15.418   1.059
  175   2HB   ASP  21          2HB       ASP  21  -3.236 -14.331   2.431
  176    H    THR  22           H        THR  22  -5.544 -13.482   3.202
  177    HA   THR  22           HA       THR  22  -7.004 -12.531   0.827
  178    HB   THR  22           HB       THR  22  -8.523 -11.377   2.244
  179    HG1  THR  22           HG1      THR  22  -8.002 -10.731   4.165
  180   1HG2  THR  22          1HG2      THR  22  -8.589 -13.997   2.233
  181   2HG2  THR  22          2HG2      THR  22  -9.650 -13.060   3.286
  182   3HG2  THR  22          3HG2      THR  22  -8.183 -13.792   3.936
  183    H    VAL  23           H        VAL  23  -7.170 -10.074   0.768
  184    HA   VAL  23           HA       VAL  23  -4.704  -8.934   0.360
  185    HB   VAL  23           HB       VAL  23  -7.217  -7.463   1.170
  186   1HG1  VAL  23          1HG1      VAL  23  -4.573  -6.589   0.134
  187   2HG1  VAL  23          2HG1      VAL  23  -5.654  -5.803   1.285
  188   3HG1  VAL  23          3HG1      VAL  23  -6.012  -5.747  -0.441
  189   1HG2  VAL  23          1HG2      VAL  23  -7.308  -9.071  -0.827
  190   2HG2  VAL  23          2HG2      VAL  23  -6.254  -7.911  -1.636
  191   3HG2  VAL  23          3HG2      VAL  23  -7.851  -7.411  -1.081
  192    H    GLU  24           H        GLU  24  -6.501  -9.238   3.327
  193    HA   GLU  24           HA       GLU  24  -5.143  -7.319   4.872
  194   1HB   GLU  24          1HB       GLU  24  -6.955  -9.568   5.356
  195   2HB   GLU  24          2HB       GLU  24  -5.814  -9.300   6.666
  196   1HG   GLU  24          1HG       GLU  24  -6.720  -6.764   6.063
  197   2HG   GLU  24          2HG       GLU  24  -8.153  -7.776   5.894
  198    H    ASN  25           H        ASN  25  -4.542 -10.778   4.351
  199    HA   ASN  25           HA       ASN  25  -2.338 -11.006   6.081
  200   1HB   ASN  25          1HB       ASN  25  -2.893 -12.586   3.559
  201   2HB   ASN  25          2HB       ASN  25  -1.817 -13.065   4.868
  202   1HD2  ASN  25          1HD2      ASN  25  -2.705 -13.671   6.863
  203   2HD2  ASN  25          2HD2      ASN  25  -4.353 -14.170   7.001
  204    H    LEU  26           H        LEU  26  -2.456 -10.534   2.550
  205    HA   LEU  26           HA       LEU  26   0.273 -10.334   2.084
  206   1HB   LEU  26          1HB       LEU  26  -1.493 -10.445   0.336
  207   2HB   LEU  26          2HB       LEU  26  -1.906  -8.778   0.687
  208    HG   LEU  26           HG       LEU  26   0.236  -8.011  -0.104
  209   1HD1  LEU  26          1HD1      LEU  26   1.581 -10.020  -1.288
  210   2HD1  LEU  26          2HD1      LEU  26   0.917 -10.868   0.108
  211   3HD1  LEU  26          3HD1      LEU  26   1.921  -9.438   0.342
  212   1HD2  LEU  26          1HD2      LEU  26  -0.241  -8.188  -2.309
  213   2HD2  LEU  26          2HD2      LEU  26  -1.724  -8.914  -1.687
  214   3HD2  LEU  26          3HD2      LEU  26  -0.405  -9.943  -2.246
  215    H    LYS  27           H        LYS  27  -2.046  -7.774   2.907
  216    HA   LYS  27           HA       LYS  27  -0.195  -5.649   2.878
  217   1HB   LYS  27          1HB       LYS  27  -2.899  -6.057   4.107
  218   2HB   LYS  27          2HB       LYS  27  -1.967  -4.619   4.501
  219   1HG   LYS  27          1HG       LYS  27  -1.868  -4.024   2.140
  220   2HG   LYS  27          2HG       LYS  27  -2.786  -5.475   1.733
  221   1HD   LYS  27          1HD       LYS  27  -4.623  -4.617   3.204
  222   2HD   LYS  27          2HD       LYS  27  -3.718  -3.108   3.349
  223   1HE   LYS  27          1HE       LYS  27  -4.138  -4.082   0.602
  224   2HE   LYS  27          2HE       LYS  27  -5.594  -3.582   1.459
  225   1HZ   LYS  27          1HZ       LYS  27  -4.694  -1.432   1.809
  226   2HZ   LYS  27          2HZ       LYS  27  -4.471  -1.792   0.171
  227   3HZ   LYS  27          3HZ       LYS  27  -3.167  -1.893   1.243
  228    H    ALA  28           H        ALA  28  -1.509  -7.557   5.584
  229    HA   ALA  28           HA       ALA  28  -0.298  -6.459   7.735
  230   1HB   ALA  28          1HB       ALA  28   0.113  -9.104   8.278
  231   2HB   ALA  28          2HB       ALA  28  -1.124  -9.176   7.024
  232   3HB   ALA  28          3HB       ALA  28  -1.415  -8.250   8.496
  233    H    LYS  29           H        LYS  29   1.229  -8.675   5.425
  234    HA   LYS  29           HA       LYS  29   3.747  -8.762   6.714
  235   1HB   LYS  29          1HB       LYS  29   2.728  -9.474   3.997
  236   2HB   LYS  29          2HB       LYS  29   4.465  -9.377   4.248
  237   1HG   LYS  29          1HG       LYS  29   4.389 -11.471   4.964
  238   2HG   LYS  29          2HG       LYS  29   3.527 -10.884   6.388
  239   1HD   LYS  29          1HD       LYS  29   1.403 -11.266   5.330
  240   2HD   LYS  29          2HD       LYS  29   2.192 -11.680   3.805
  241   1HE   LYS  29          1HE       LYS  29   2.319 -13.802   4.437
  242   2HE   LYS  29          2HE       LYS  29   3.280 -13.334   5.839
  243   1HZ   LYS  29          1HZ       LYS  29   0.337 -13.110   5.877
  244   2HZ   LYS  29          2HZ       LYS  29   1.410 -13.213   7.181
  245   3HZ   LYS  29          3HZ       LYS  29   1.101 -14.578   6.231
  246    H    ILE  30           H        ILE  30   2.528  -6.857   3.970
  247    HA   ILE  30           HA       ILE  30   4.881  -5.428   3.449
  248    HB   ILE  30           HB       ILE  30   2.020  -4.541   3.049
  249   1HG1  ILE  30          1HG1      ILE  30   3.988  -5.948   1.231
  250   2HG1  ILE  30          2HG1      ILE  30   2.476  -6.598   1.857
  251   1HG2  ILE  30          1HG2      ILE  30   3.008  -2.557   2.671
  252   2HG2  ILE  30          2HG2      ILE  30   3.447  -3.285   1.126
  253   3HG2  ILE  30          3HG2      ILE  30   4.604  -3.274   2.456
  254   1HD1  ILE  30          1HD1      ILE  30   2.913  -5.225  -0.553
  255   2HD1  ILE  30          2HD1      ILE  30   1.934  -4.171   0.467
  256   3HD1  ILE  30          3HD1      ILE  30   1.386  -5.809   0.109
  257    H    GLN  31           H        GLN  31   2.659  -5.213   6.039
  258    HA   GLN  31           HA       GLN  31   3.414  -2.496   6.755
  259   1HB   GLN  31          1HB       GLN  31   1.118  -3.020   7.139
  260   2HB   GLN  31          2HB       GLN  31   1.529  -4.505   7.984
  261   1HG   GLN  31          1HG       GLN  31   2.544  -3.169   9.785
  262   2HG   GLN  31          2HG       GLN  31   2.043  -1.701   8.946
  263   1HE2  GLN  31          1HE2      GLN  31   1.080  -1.574  11.237
  264   2HE2  GLN  31          2HE2      GLN  31  -0.550  -2.126  11.387
  265    H    ASP  32           H        ASP  32   4.021  -5.803   7.728
  266    HA   ASP  32           HA       ASP  32   5.604  -4.967  10.018
  267   1HB   ASP  32          1HB       ASP  32   4.174  -7.307   9.313
  268   2HB   ASP  32          2HB       ASP  32   5.867  -7.751   9.492
  269    H    LYS  33           H        LYS  33   6.058  -5.487   6.730
  270    HA   LYS  33           HA       LYS  33   8.900  -6.147   7.073
  271   1HB   LYS  33          1HB       LYS  33   6.909  -6.627   4.933
  272   2HB   LYS  33          2HB       LYS  33   8.547  -6.268   4.404
  273   1HG   LYS  33          1HG       LYS  33   9.246  -8.099   6.083
  274   2HG   LYS  33          2HG       LYS  33   7.549  -8.583   6.008
  275   1HD   LYS  33          1HD       LYS  33   7.677  -9.064   3.709
  276   2HD   LYS  33          2HD       LYS  33   9.203  -8.196   3.530
  277   1HE   LYS  33          1HE       LYS  33   9.756 -10.489   3.482
  278   2HE   LYS  33          2HE       LYS  33  10.213  -9.914   5.084
  279   1HZ   LYS  33          1HZ       LYS  33   8.331 -11.925   4.359
  280   2HZ   LYS  33          2HZ       LYS  33   7.618 -10.752   5.348
  281   3HZ   LYS  33          3HZ       LYS  33   8.997 -11.575   5.874
  282    H    GLU  34           H        GLU  34   6.865  -4.070   5.001
  283    HA   GLU  34           HA       GLU  34   9.116  -2.276   4.580
  284   1HB   GLU  34          1HB       GLU  34   6.343  -1.835   3.517
  285   2HB   GLU  34          2HB       GLU  34   7.878  -1.316   2.836
  286   1HG   GLU  34          1HG       GLU  34   7.377  -4.229   3.080
  287   2HG   GLU  34          2HG       GLU  34   6.509  -3.335   1.832
  288    H    GLY  35           H        GLY  35   6.548  -2.587   6.742
  289   1HA   GLY  35          1HA       GLY  35   5.952  -1.231   8.516
  290   2HA   GLY  35          2HA       GLY  35   7.167  -0.077   7.984
  291    H    ILE  36           H        ILE  36   4.675  -1.209   5.824
  292    HA   ILE  36           HA       ILE  36   3.544   1.503   5.814
  293    HB   ILE  36           HB       ILE  36   3.251  -0.644   3.712
  294   1HG1  ILE  36          1HG1      ILE  36   5.016   1.813   3.670
  295   2HG1  ILE  36          2HG1      ILE  36   5.595   0.183   4.000
  296   1HG2  ILE  36          1HG2      ILE  36   1.439   1.057   3.844
  297   2HG2  ILE  36          2HG2      ILE  36   2.327   1.074   2.321
  298   3HG2  ILE  36          3HG2      ILE  36   2.650   2.304   3.544
  299   1HD1  ILE  36          1HD1      ILE  36   4.107   0.149   1.577
  300   2HD1  ILE  36          2HD1      ILE  36   5.817  -0.193   1.839
  301   3HD1  ILE  36          3HD1      ILE  36   5.287   1.457   1.512
  302    HA   PRO  37           HA       PRO  37  -0.157  -0.233   7.563
  303   1HB   PRO  37          1HB       PRO  37  -1.624   2.004   7.621
  304   2HB   PRO  37          2HB       PRO  37  -0.220   1.800   8.675
  305   1HG   PRO  37          1HG       PRO  37  -0.464   3.326   6.111
  306   2HG   PRO  37          2HG       PRO  37   0.368   3.781   7.608
  307   1HD   PRO  37          1HD       PRO  37   1.621   2.731   5.390
  308   2HD   PRO  37          2HD       PRO  37   2.260   2.629   7.042
  309    HA   PRO  38           HA       PRO  38  -2.698  -1.399   4.135
  310   1HB   PRO  38          1HB       PRO  38  -4.941  -1.254   6.080
  311   2HB   PRO  38          2HB       PRO  38  -4.423  -2.599   5.057
  312   1HG   PRO  38          1HG       PRO  38  -3.931  -2.606   7.678
  313   2HG   PRO  38          2HG       PRO  38  -2.744  -3.239   6.522
  314   1HD   PRO  38          1HD       PRO  38  -2.761  -0.638   7.994
  315   2HD   PRO  38          2HD       PRO  38  -1.394  -1.697   7.588
  316    H    ASP  39           H        ASP  39  -3.382   1.374   6.110
  317    HA   ASP  39           HA       ASP  39  -5.510   2.397   4.484
  318   1HB   ASP  39          1HB       ASP  39  -4.260   3.077   6.972
  319   2HB   ASP  39          2HB       ASP  39  -4.299   4.506   5.943
  320    H    GLN  40           H        GLN  40  -2.059   2.534   4.412
  321    HA   GLN  40           HA       GLN  40  -2.177   4.562   2.280
  322   1HB   GLN  40          1HB       GLN  40   0.202   3.826   3.992
  323   2HB   GLN  40          2HB       GLN  40   0.129   5.119   2.803
  324   1HG   GLN  40          1HG       GLN  40  -1.765   6.073   4.234
  325   2HG   GLN  40          2HG       GLN  40  -1.206   4.956   5.478
  326   1HE2  GLN  40          1HE2      GLN  40   0.342   5.634   6.785
  327   2HE2  GLN  40          2HE2      GLN  40   1.372   6.994   6.514
  328    H    GLN  41           H        GLN  41  -2.089   1.356   2.620
  329    HA   GLN  41           HA       GLN  41   0.033   0.785   0.717
  330   1HB   GLN  41          1HB       GLN  41  -1.583  -0.751   2.621
  331   2HB   GLN  41          2HB       GLN  41  -1.316  -1.576   1.092
  332   1HG   GLN  41          1HG       GLN  41   1.135  -1.113   1.395
  333   2HG   GLN  41          2HG       GLN  41   0.747  -0.574   3.029
  334   1HE2  GLN  41          1HE2      GLN  41   0.500  -2.044   4.594
  335   2HE2  GLN  41          2HE2      GLN  41   0.548  -3.755   4.360
  336    H    ARG  42           H        ARG  42  -0.413   1.217  -1.349
  337    HA   ARG  42           HA       ARG  42  -3.102   0.611  -2.371
  338   1HB   ARG  42          1HB       ARG  42  -1.882   2.939  -2.609
  339   2HB   ARG  42          2HB       ARG  42  -1.080   2.141  -3.956
  340   1HG   ARG  42          1HG       ARG  42  -2.916   2.189  -5.247
  341   2HG   ARG  42          2HG       ARG  42  -4.002   1.847  -3.898
  342   1HD   ARG  42          1HD       ARG  42  -3.711   4.189  -3.136
  343   2HD   ARG  42          2HD       ARG  42  -2.746   4.502  -4.577
  344    HE   ARG  42           HE       ARG  42  -4.988   3.588  -5.669
  345   1HH1  ARG  42          1HH1      ARG  42  -5.945   6.782  -3.453
  346   2HH1  ARG  42          2HH1      ARG  42  -4.504   5.889  -3.100
  347   1HH2  ARG  42          1HH2      ARG  42  -6.888   4.758  -6.143
  348   2HH2  ARG  42          2HH2      ARG  42  -7.301   6.139  -5.183
  349    H    LEU  43           H        LEU  43  -3.033  -1.513  -2.917
  350    HA   LEU  43           HA       LEU  43  -0.763  -2.564  -4.399
  351   1HB   LEU  43          1HB       LEU  43  -3.290  -4.000  -3.601
  352   2HB   LEU  43          2HB       LEU  43  -1.775  -4.723  -4.108
  353    HG   LEU  43           HG       LEU  43  -2.197  -3.164  -1.555
  354   1HD1  LEU  43          1HD1      LEU  43  -2.758  -5.877  -2.224
  355   2HD1  LEU  43          2HD1      LEU  43  -2.936  -5.056  -0.673
  356   3HD1  LEU  43          3HD1      LEU  43  -1.408  -5.832  -1.089
  357   1HD2  LEU  43          1HD2      LEU  43   0.197  -4.804  -2.339
  358   2HD2  LEU  43          2HD2      LEU  43   0.030  -3.686  -0.985
  359   3HD2  LEU  43          3HD2      LEU  43   0.093  -3.069  -2.636
  360    H    ILE  44           H        ILE  44  -0.681  -2.468  -6.529
  361    HA   ILE  44           HA       ILE  44  -3.204  -2.544  -8.052
  362    HB   ILE  44           HB       ILE  44  -0.724  -1.102  -8.971
  363   1HG1  ILE  44          1HG1      ILE  44  -1.471  -0.025  -6.917
  364   2HG1  ILE  44          2HG1      ILE  44  -1.862   0.993  -8.301
  365   1HG2  ILE  44          1HG2      ILE  44  -3.581  -0.731  -9.838
  366   2HG2  ILE  44          2HG2      ILE  44  -2.478  -1.866 -10.615
  367   3HG2  ILE  44          3HG2      ILE  44  -2.118  -0.139 -10.625
  368   1HD1  ILE  44          1HD1      ILE  44  -4.007   0.990  -7.773
  369   2HD1  ILE  44          2HD1      ILE  44  -3.575   0.163  -6.276
  370   3HD1  ILE  44          3HD1      ILE  44  -4.047  -0.771  -7.696
  371    H    PHE  45           H        PHE  45  -3.246  -4.610  -8.759
  372    HA   PHE  45           HA       PHE  45  -0.813  -5.726  -9.966
  373   1HB   PHE  45          1HB       PHE  45  -1.746  -7.152  -8.269
  374   2HB   PHE  45          2HB       PHE  45  -3.351  -7.044  -8.989
  375    HD1  PHE  45           HD1      PHE  45  -4.046  -8.957 -10.032
  376    HD2  PHE  45           HD2      PHE  45   0.088  -7.918 -10.171
  377    HE1  PHE  45           HE1      PHE  45  -3.585 -10.980 -11.363
  378    HE2  PHE  45           HE2      PHE  45   0.555  -9.939 -11.504
  379    HZ   PHE  45           HZ       PHE  45  -1.283 -11.472 -12.101
  380    H    ALA  46           H        ALA  46  -0.667  -5.360 -12.079
  381    HA   ALA  46           HA       ALA  46  -1.185  -5.181 -14.287
  382   1HB   ALA  46          1HB       ALA  46  -3.585  -6.910 -13.904
  383   2HB   ALA  46          2HB       ALA  46  -1.979  -7.583 -13.629
  384   3HB   ALA  46          3HB       ALA  46  -2.394  -6.909 -15.205
  385    H    GLY  47           H        GLY  47  -2.180  -3.131 -12.657
  386   1HA   GLY  47          1HA       GLY  47  -3.468  -1.246 -13.095
  387   2HA   GLY  47          2HA       GLY  47  -4.285  -2.136 -14.370
  388    H    LYS  48           H        LYS  48  -4.532  -4.237 -11.991
  389    HA   LYS  48           HA       LYS  48  -7.169  -3.259 -11.207
  390   1HB   LYS  48          1HB       LYS  48  -6.343  -5.725 -12.019
  391   2HB   LYS  48          2HB       LYS  48  -6.299  -5.915 -10.272
  392   1HG   LYS  48          1HG       LYS  48  -8.503  -6.107 -10.171
  393   2HG   LYS  48          2HG       LYS  48  -8.734  -4.615 -11.086
  394   1HD   LYS  48          1HD       LYS  48  -8.621  -5.770 -13.158
  395   2HD   LYS  48          2HD       LYS  48  -8.044  -7.245 -12.381
  396   1HE   LYS  48          1HE       LYS  48 -10.142  -7.939 -12.190
  397   2HE   LYS  48          2HE       LYS  48 -10.484  -6.563 -11.143
  398   1HZ   LYS  48          1HZ       LYS  48 -11.499  -5.443 -12.796
  399   2HZ   LYS  48          2HZ       LYS  48 -11.737  -6.990 -13.438
  400   3HZ   LYS  48          3HZ       LYS  48 -10.464  -6.027 -14.001
  401    H    GLN  49           H        GLN  49  -7.457  -2.281  -9.325
  402    HA   GLN  49           HA       GLN  49  -5.392  -2.390  -7.292
  403   1HB   GLN  49          1HB       GLN  49  -6.344  -0.226  -7.796
  404   2HB   GLN  49          2HB       GLN  49  -7.968  -0.823  -7.482
  405   1HG   GLN  49          1HG       GLN  49  -7.072  -1.318  -5.111
  406   2HG   GLN  49          2HG       GLN  49  -5.779  -0.202  -5.548
  407   1HE2  GLN  49          1HE2      GLN  49  -6.229   1.966  -5.793
  408   2HE2  GLN  49          2HE2      GLN  49  -7.719   2.676  -5.284
  409    H    LEU  50           H        LEU  50  -5.393  -4.007  -5.879
  410    HA   LEU  50           HA       LEU  50  -7.515  -5.748  -5.380
  411   1HB   LEU  50          1HB       LEU  50  -5.373  -5.171  -3.355
  412   2HB   LEU  50          2HB       LEU  50  -6.194  -6.687  -3.672
  413    HG   LEU  50           HG       LEU  50  -4.130  -5.357  -5.426
  414   1HD1  LEU  50          1HD1      LEU  50  -3.951  -7.186  -3.252
  415   2HD1  LEU  50          2HD1      LEU  50  -2.661  -6.542  -4.267
  416   3HD1  LEU  50          3HD1      LEU  50  -3.495  -8.023  -4.736
  417   1HD2  LEU  50          1HD2      LEU  50  -4.910  -8.072  -6.108
  418   2HD2  LEU  50          2HD2      LEU  50  -4.718  -6.655  -7.140
  419   3HD2  LEU  50          3HD2      LEU  50  -6.235  -6.920  -6.282
  420    H    GLU  51           H        GLU  51  -8.980  -5.948  -3.679
  421    HA   GLU  51           HA       GLU  51  -9.443  -3.469  -2.155
  422   1HB   GLU  51          1HB       GLU  51 -11.298  -5.369  -3.509
  423   2HB   GLU  51          2HB       GLU  51 -11.850  -4.589  -2.034
  424   1HG   GLU  51          1HG       GLU  51 -11.227  -2.394  -3.113
  425   2HG   GLU  51          2HG       GLU  51 -11.029  -3.296  -4.615
  426    H    ASP  52           H        ASP  52  -9.386  -3.582  -0.002
  427    HA   ASP  52           HA       ASP  52  -8.476  -5.787   1.392
  428   1HB   ASP  52          1HB       ASP  52  -9.666  -4.489   3.377
  429   2HB   ASP  52          2HB       ASP  52  -8.207  -3.870   2.618
  430    H    GLY  53           H        GLY  53  -9.490  -7.706   1.289
  431   1HA   GLY  53          1HA       GLY  53 -11.352  -8.727   2.764
  432   2HA   GLY  53          2HA       GLY  53 -12.400  -7.783   1.717
  433    H    ARG  54           H        ARG  54 -10.190  -8.459  -0.409
  434    HA   ARG  54           HA       ARG  54 -11.544 -10.884  -1.314
  435   1HB   ARG  54          1HB       ARG  54 -11.178  -8.773  -2.751
  436   2HB   ARG  54          2HB       ARG  54  -9.514  -9.322  -2.889
  437   1HG   ARG  54          1HG       ARG  54 -10.040 -11.003  -4.292
  438   2HG   ARG  54          2HG       ARG  54 -11.582 -11.329  -3.498
  439   1HD   ARG  54          1HD       ARG  54 -11.881  -8.799  -4.615
  440   2HD   ARG  54          2HD       ARG  54 -11.011  -9.727  -5.836
  441    HE   ARG  54           HE       ARG  54 -12.978 -10.770  -6.284
  442   1HH1  ARG  54          1HH1      ARG  54 -14.631 -10.338  -2.663
  443   2HH1  ARG  54          2HH1      ARG  54 -13.029  -9.747  -2.956
  444   1HH2  ARG  54          1HH2      ARG  54 -15.086 -11.552  -5.912
  445   2HH2  ARG  54          2HH2      ARG  54 -15.801 -11.365  -4.345
  446    H    THR  55           H        THR  55 -10.264 -12.616  -2.306
  447    HA   THR  55           HA       THR  55  -7.893 -13.166  -0.690
  448    HB   THR  55           HB       THR  55  -8.183 -15.478  -1.324
  449    HG1  THR  55           HG1      THR  55  -9.042 -15.911  -3.167
  450   1HG2  THR  55          1HG2      THR  55 -10.392 -13.988  -0.182
  451   2HG2  THR  55          2HG2      THR  55  -9.684 -15.527   0.310
  452   3HG2  THR  55          3HG2      THR  55 -10.904 -15.484  -0.963
  453    H    LEU  56           H        LEU  56  -6.064 -14.312  -1.758
  454    HA   LEU  56           HA       LEU  56  -5.051 -12.759  -3.892
  455   1HB   LEU  56          1HB       LEU  56  -4.110 -15.335  -2.644
  456   2HB   LEU  56          2HB       LEU  56  -3.221 -14.511  -3.911
  457    HG   LEU  56           HG       LEU  56  -3.589 -13.751  -1.056
  458   1HD1  LEU  56          1HD1      LEU  56  -1.158 -12.866  -2.116
  459   2HD1  LEU  56          2HD1      LEU  56  -1.453 -14.444  -2.848
  460   3HD1  LEU  56          3HD1      LEU  56  -1.434 -14.276  -1.092
  461   1HD2  LEU  56          1HD2      LEU  56  -2.719 -11.439  -1.777
  462   2HD2  LEU  56          2HD2      LEU  56  -4.443 -11.773  -1.940
  463   3HD2  LEU  56          3HD2      LEU  56  -3.394 -11.839  -3.356
  464    H    SER  57           H        SER  57  -6.001 -16.193  -3.764
  465    HA   SER  57           HA       SER  57  -5.601 -16.863  -6.403
  466   1HB   SER  57          1HB       SER  57  -6.471 -18.261  -4.339
  467   2HB   SER  57          2HB       SER  57  -8.051 -17.895  -5.031
  468    HG   SER  57           HG       SER  57  -7.296 -18.814  -6.999
  469    H    ASP  58           H        ASP  58  -8.327 -15.167  -4.955
  470    HA   ASP  58           HA       ASP  58 -10.189 -15.230  -6.964
  471   1HB   ASP  58          1HB       ASP  58  -9.430 -13.038  -5.045
  472   2HB   ASP  58          2HB       ASP  58 -10.753 -12.837  -6.190
  473    H    TYR  59           H        TYR  59  -7.166 -13.499  -6.889
  474    HA   TYR  59           HA       TYR  59  -7.821 -12.026  -9.320
  475   1HB   TYR  59          1HB       TYR  59  -5.314 -12.000  -7.627
  476   2HB   TYR  59          2HB       TYR  59  -5.632 -10.941  -8.996
  477    HD1  TYR  59           HD1      TYR  59  -5.843 -11.275  -5.488
  478    HD2  TYR  59           HD2      TYR  59  -7.821  -9.499  -8.820
  479    HE1  TYR  59           HE1      TYR  59  -6.928  -9.660  -3.976
  480    HE2  TYR  59           HE2      TYR  59  -8.910  -7.878  -7.318
  481    HH   TYR  59           HH       TYR  59  -9.071  -7.117  -5.234
  482    H    ASN  60           H        ASN  60  -7.503 -14.979  -9.250
  483    HA   ASN  60           HA       ASN  60  -6.345 -16.675 -10.289
  484   1HB   ASN  60          1HB       ASN  60  -6.061 -16.197 -12.748
  485   2HB   ASN  60          2HB       ASN  60  -7.671 -15.874 -12.113
  486   1HD2  ASN  60          1HD2      ASN  60  -4.895 -14.573 -13.613
  487   2HD2  ASN  60          2HD2      ASN  60  -5.455 -12.945 -13.758
  488    H    LEU  61           H        LEU  61  -4.620 -14.971  -8.744
  489    HA   LEU  61           HA       LEU  61  -2.295 -14.211 -10.116
  490   1HB   LEU  61          1HB       LEU  61  -2.996 -14.799  -7.292
  491   2HB   LEU  61          2HB       LEU  61  -1.293 -14.783  -7.706
  492    HG   LEU  61           HG       LEU  61  -3.045 -12.471  -8.463
  493   1HD1  LEU  61          1HD1      LEU  61  -2.812 -11.436  -6.390
  494   2HD1  LEU  61          2HD1      LEU  61  -1.572 -12.571  -5.856
  495   3HD1  LEU  61          3HD1      LEU  61  -3.251 -13.095  -5.982
  496   1HD2  LEU  61          1HD2      LEU  61  -0.115 -12.764  -7.821
  497   2HD2  LEU  61          2HD2      LEU  61  -0.921 -11.251  -8.233
  498   3HD2  LEU  61          3HD2      LEU  61  -0.826 -12.550  -9.420
  499    H    GLN  62           H        GLN  62  -0.154 -15.234  -9.968
  500    HA   GLN  62           HA       GLN  62  -0.310 -18.174  -9.966
  501   1HB   GLN  62          1HB       GLN  62   1.501 -16.654 -11.825
  502   2HB   GLN  62          2HB       GLN  62   0.998 -18.337 -11.915
  503   1HG   GLN  62          1HG       GLN  62  -1.389 -17.077 -12.113
  504   2HG   GLN  62          2HG       GLN  62  -0.324 -15.911 -12.895
  505   1HE2  GLN  62          1HE2      GLN  62   1.527 -17.678 -14.003
  506   2HE2  GLN  62          2HE2      GLN  62   0.748 -18.583 -15.251
  507    H    LYS  63           H        LYS  63   2.106 -19.039 -10.078
  508    HA   LYS  63           HA       LYS  63   3.287 -18.414  -7.613
  509   1HB   LYS  63          1HB       LYS  63   3.523 -20.557  -8.963
  510   2HB   LYS  63          2HB       LYS  63   4.720 -19.708  -9.930
  511   1HG   LYS  63          1HG       LYS  63   6.198 -20.507  -8.466
  512   2HG   LYS  63          2HG       LYS  63   5.606 -19.240  -7.390
  513   1HD   LYS  63          1HD       LYS  63   4.073 -20.758  -6.342
  514   2HD   LYS  63          2HD       LYS  63   4.444 -22.019  -7.521
  515   1HE   LYS  63          1HE       LYS  63   6.674 -20.875  -5.916
  516   2HE   LYS  63          2HE       LYS  63   5.560 -21.990  -5.127
  517   1HZ   LYS  63          1HZ       LYS  63   7.455 -22.489  -7.309
  518   2HZ   LYS  63          2HZ       LYS  63   6.039 -23.412  -7.244
  519   3HZ   LYS  63          3HZ       LYS  63   7.116 -23.427  -5.940
  520    H    GLU  64           H        GLU  64   4.806 -16.994  -6.997
  521    HA   GLU  64           HA       GLU  64   6.049 -15.078  -7.072
  522   1HB   GLU  64          1HB       GLU  64   7.219 -16.518  -9.460
  523   2HB   GLU  64          2HB       GLU  64   7.980 -15.186  -8.600
  524   1HG   GLU  64          1HG       GLU  64   7.798 -16.690  -6.528
  525   2HG   GLU  64          2HG       GLU  64   7.513 -17.994  -7.680
  526    H    SER  65           H        SER  65   4.312 -13.670  -7.590
  527    HA   SER  65           HA       SER  65   4.131 -12.873 -10.412
  528   1HB   SER  65          1HB       SER  65   2.263 -12.347  -8.090
  529   2HB   SER  65          2HB       SER  65   2.036 -11.703  -9.715
  530    HG   SER  65           HG       SER  65   2.455 -14.416  -9.630
  531    H    THR  66           H        THR  66   3.611 -10.437 -10.652
  532    HA   THR  66           HA       THR  66   5.427  -8.909  -8.905
  533    HB   THR  66           HB       THR  66   5.007  -8.558 -11.879
  534    HG1  THR  66           HG1      THR  66   7.243  -9.495 -10.408
  535   1HG2  THR  66          1HG2      THR  66   6.354  -6.742 -11.892
  536   2HG2  THR  66          2HG2      THR  66   7.236  -7.244 -10.451
  537   3HG2  THR  66          3HG2      THR  66   5.632  -6.530 -10.296
  538    H    ILE  67           H        ILE  67   4.168  -7.679  -7.661
  539    HA   ILE  67           HA       ILE  67   1.892  -6.288  -8.914
  540    HB   ILE  67           HB       ILE  67   2.319  -7.181  -6.067
  541   1HG1  ILE  67          1HG1      ILE  67   0.002  -8.163  -6.516
  542   2HG1  ILE  67          2HG1      ILE  67   0.280  -7.773  -8.211
  543   1HG2  ILE  67          1HG2      ILE  67   1.414  -5.126  -5.618
  544   2HG2  ILE  67          2HG2      ILE  67  -0.054  -6.077  -5.840
  545   3HG2  ILE  67          3HG2      ILE  67   0.538  -5.053  -7.147
  546   1HD1  ILE  67          1HD1      ILE  67   0.813 -10.076  -7.812
  547   2HD1  ILE  67          2HD1      ILE  67   1.911  -9.634  -6.505
  548   3HD1  ILE  67          3HD1      ILE  67   2.295  -9.189  -8.169
  549    H    HIS  68           H        HIS  68   1.699  -4.096  -8.711
  550    HA   HIS  68           HA       HIS  68   4.083  -2.688  -7.786
  551   1HB   HIS  68          1HB       HIS  68   1.694  -1.717  -9.370
  552   2HB   HIS  68          2HB       HIS  68   3.097  -0.735  -8.956
  553    HD1  HIS  68           HD1      HIS  68   3.651  -0.390 -11.464
  554    HD2  HIS  68           HD2      HIS  68   3.732  -4.356 -10.224
  555    HE1  HIS  68           HE1      HIS  68   4.789  -1.652 -13.318
  556    HE2  HIS  68           HE2      HIS  68   4.904  -4.034 -12.507
  557    H    LEU  69           H        LEU  69   4.154  -1.521  -5.977
  558    HA   LEU  69           HA       LEU  69   1.643  -1.124  -4.496
  559   1HB   LEU  69          1HB       LEU  69   3.511  -2.516  -3.489
  560   2HB   LEU  69          2HB       LEU  69   4.434  -1.031  -3.370
  561    HG   LEU  69           HG       LEU  69   1.714  -1.145  -2.139
  562   1HD1  LEU  69          1HD1      LEU  69   3.488  -1.765  -0.098
  563   2HD1  LEU  69          2HD1      LEU  69   3.930  -2.852  -1.415
  564   3HD1  LEU  69          3HD1      LEU  69   2.275  -2.831  -0.806
  565   1HD2  LEU  69          1HD2      LEU  69   3.245   0.214  -0.437
  566   2HD2  LEU  69          2HD2      LEU  69   2.499   0.963  -1.849
  567   3HD2  LEU  69          3HD2      LEU  69   4.189   0.463  -1.906
  568    H    VAL  70           H        VAL  70   0.858   0.861  -4.549
  569    HA   VAL  70           HA       VAL  70   2.734   3.112  -4.843
  570    HB   VAL  70           HB       VAL  70   0.020   3.915  -5.303
  571   1HG1  VAL  70          1HG1      VAL  70   1.509   3.921  -7.697
  572   2HG1  VAL  70          2HG1      VAL  70   2.635   4.264  -6.386
  573   3HG1  VAL  70          3HG1      VAL  70   1.202   5.268  -6.602
  574   1HG2  VAL  70          1HG2      VAL  70  -0.213   2.594  -7.487
  575   2HG2  VAL  70          2HG2      VAL  70  -0.632   1.775  -5.981
  576   3HG2  VAL  70          3HG2      VAL  70   0.916   1.450  -6.759
  577    H    LEU  71           H        LEU  71   2.553   4.900  -3.528
  578    HA   LEU  71           HA       LEU  71   1.338   4.421  -0.951
  579   1HB   LEU  71          1HB       LEU  71   3.619   5.647  -1.665
  580   2HB   LEU  71          2HB       LEU  71   2.565   7.046  -1.577
  581    HG   LEU  71           HG       LEU  71   3.462   6.981   0.552
  582   1HD1  LEU  71          1HD1      LEU  71   1.205   5.144   1.176
  583   2HD1  LEU  71          2HD1      LEU  71   0.859   6.685   0.392
  584   3HD1  LEU  71          3HD1      LEU  71   1.680   6.655   1.952
  585   1HD2  LEU  71          1HD2      LEU  71   3.894   4.971   1.832
  586   2HD2  LEU  71          2HD2      LEU  71   4.660   4.858   0.247
  587   3HD2  LEU  71          3HD2      LEU  71   3.163   3.982   0.568
  588    H    ARG  72           H        ARG  72  -0.610   5.089  -0.356
  589    HA   ARG  72           HA       ARG  72  -2.541   6.172  -1.895
  590   1HB   ARG  72          1HB       ARG  72  -3.208   5.411   0.220
  591   2HB   ARG  72          2HB       ARG  72  -2.049   6.436   1.057
  592   1HG   ARG  72          1HG       ARG  72  -3.372   8.415   0.338
  593   2HG   ARG  72          2HG       ARG  72  -4.576   7.308  -0.324
  594   1HD   ARG  72          1HD       ARG  72  -3.770   6.804   2.465
  595   2HD   ARG  72          2HD       ARG  72  -4.653   8.305   2.185
  596    HE   ARG  72           HE       ARG  72  -5.832   5.925   1.026
  597   1HH1  ARG  72          1HH1      ARG  72  -7.287   7.672   4.321
  598   2HH1  ARG  72          2HH1      ARG  72  -5.714   8.106   3.739
  599   1HH2  ARG  72          1HH2      ARG  72  -7.904   5.347   1.784
  600   2HH2  ARG  72          2HH2      ARG  72  -8.531   6.103   3.210
  601    H    LEU  73           H        LEU  73  -2.536   7.929  -3.125
  602    HA   LEU  73           HA       LEU  73  -0.870  10.038  -3.190
  603   1HB   LEU  73          1HB       LEU  73  -2.631   9.699  -4.832
  604   2HB   LEU  73          2HB       LEU  73  -3.851  10.134  -3.650
  605    HG   LEU  73           HG       LEU  73  -3.262  12.406  -3.701
  606   1HD1  LEU  73          1HD1      LEU  73  -0.922  12.371  -3.463
  607   2HD1  LEU  73          2HD1      LEU  73  -1.225  13.171  -5.006
  608   3HD1  LEU  73          3HD1      LEU  73  -0.701  11.486  -4.972
  609   1HD2  LEU  73          1HD2      LEU  73  -2.686  12.341  -6.482
  610   2HD2  LEU  73          2HD2      LEU  73  -4.215  12.692  -5.679
  611   3HD2  LEU  73          3HD2      LEU  73  -3.809  11.033  -6.114
  612    H    ARG  74           H        ARG  74  -0.143  10.829  -1.248
  613    HA   ARG  74           HA       ARG  74  -1.751  11.565   0.931
  614   1HB   ARG  74          1HB       ARG  74   1.001  11.566   0.304
  615   2HB   ARG  74          2HB       ARG  74   0.605  13.207   0.792
  616   1HG   ARG  74          1HG       ARG  74   0.158  12.613   2.937
  617   2HG   ARG  74          2HG       ARG  74  -0.415  11.005   2.489
  618   1HD   ARG  74          1HD       ARG  74   1.692  10.108   2.475
  619   2HD   ARG  74          2HD       ARG  74   2.461  11.644   2.077
  620    HE   ARG  74           HE       ARG  74   1.446  11.973   4.607
  621   1HH1  ARG  74          1HH1      ARG  74   4.615   9.526   4.496
  622   2HH1  ARG  74          2HH1      ARG  74   3.678   9.790   3.063
  623   1HH2  ARG  74          1HH2      ARG  74   2.673  11.634   6.501
  624   2HH2  ARG  74          2HH2      ARG  74   4.042  10.575   6.452
  625    H    GLY  75           H        GLY  75  -0.607  13.397  -1.863
  626   1HA   GLY  75          1HA       GLY  75  -2.684  15.382  -1.357
  627   2HA   GLY  75          2HA       GLY  75  -1.029  15.971  -1.358
  628    H    GLY  76           H        GLY  76   0.235  15.693  -3.324
  629   1HA   GLY  76          1HA       GLY  76  -1.322  15.161  -5.746
  630   2HA   GLY  76          2HA       GLY  76  -0.622  16.763  -5.568
  Start of MODEL    6
    1   1H    MET   1          1H        MET   1   3.722 -20.439  -1.501
    2   2H    MET   1          2H        MET   1   2.092 -20.211  -1.985
    3   3H    MET   1          3H        MET   1   2.871 -19.034  -1.010
    4    HA   MET   1           HA       MET   1   4.063 -19.716  -3.563
    5   1HB   MET   1          1HB       MET   1   2.557 -18.070  -4.665
    6   2HB   MET   1          2HB       MET   1   1.724 -19.526  -4.139
    7   1HG   MET   1          1HG       MET   1   0.515 -18.436  -2.557
    8   2HG   MET   1          2HG       MET   1   1.766 -17.227  -2.274
    9   1HE   MET   1          1HE       MET   1  -1.386 -17.916  -5.078
   10   2HE   MET   1          2HE       MET   1   0.194 -18.667  -5.292
   11   3HE   MET   1          3HE       MET   1  -0.267 -17.286  -6.287
   12    H    GLN   2           H        GLN   2   5.611 -18.254  -4.056
   13    HA   GLN   2           HA       GLN   2   6.080 -16.119  -2.109
   14   1HB   GLN   2          1HB       GLN   2   7.842 -17.882  -2.799
   15   2HB   GLN   2          2HB       GLN   2   7.995 -16.941  -4.276
   16   1HG   GLN   2          1HG       GLN   2   8.692 -15.010  -3.050
   17   2HG   GLN   2          2HG       GLN   2   8.356 -15.808  -1.515
   18   1HE2  GLN   2          1HE2      GLN   2  10.193 -16.220  -0.530
   19   2HE2  GLN   2          2HE2      GLN   2  11.616 -16.874  -1.258
   20    H    LEU   3           H        LEU   3   4.928 -14.363  -2.698
   21    HA   LEU   3           HA       LEU   3   4.990 -13.499  -5.496
   22   1HB   LEU   3          1HB       LEU   3   3.353 -12.397  -3.213
   23   2HB   LEU   3          2HB       LEU   3   3.173 -12.004  -4.913
   24    HG   LEU   3           HG       LEU   3   2.494 -14.592  -3.535
   25   1HD1  LEU   3          1HD1      LEU   3   0.303 -14.105  -4.724
   26   2HD1  LEU   3          2HD1      LEU   3   0.944 -12.489  -5.016
   27   3HD1  LEU   3          3HD1      LEU   3   0.719 -13.063  -3.364
   28   1HD2  LEU   3          1HD2      LEU   3   1.723 -14.952  -6.114
   29   2HD2  LEU   3          2HD2      LEU   3   3.200 -15.607  -5.407
   30   3HD2  LEU   3          3HD2      LEU   3   3.255 -14.101  -6.325
   31    H    PHE   4           H        PHE   4   5.873 -11.586  -6.147
   32    HA   PHE   4           HA       PHE   4   7.585 -10.238  -4.189
   33   1HB   PHE   4          1HB       PHE   4   7.723  -9.634  -7.109
   34   2HB   PHE   4          2HB       PHE   4   9.014  -9.688  -5.913
   35    HD1  PHE   4           HD1      PHE   4   8.399 -11.060  -8.805
   36    HD2  PHE   4           HD2      PHE   4   8.655 -12.357  -4.750
   37    HE1  PHE   4           HE1      PHE   4   9.008 -13.323  -9.571
   38    HE2  PHE   4           HE2      PHE   4   9.265 -14.622  -5.508
   39    HZ   PHE   4           HZ       PHE   4   9.441 -15.107  -7.921
   40    H    VAL   5           H        VAL   5   7.298  -8.167  -3.601
   41    HA   VAL   5           HA       VAL   5   5.138  -6.665  -4.932
   42    HB   VAL   5           HB       VAL   5   6.019  -6.445  -2.049
   43   1HG1  VAL   5          1HG1      VAL   5   3.568  -5.236  -3.296
   44   2HG1  VAL   5          2HG1      VAL   5   5.107  -4.377  -3.224
   45   3HG1  VAL   5          3HG1      VAL   5   4.303  -4.873  -1.735
   46   1HG2  VAL   5          1HG2      VAL   5   3.473  -7.261  -1.901
   47   2HG2  VAL   5          2HG2      VAL   5   4.840  -8.376  -1.920
   48   3HG2  VAL   5          3HG2      VAL   5   3.942  -8.056  -3.404
   49    H    LYS   6           H        LYS   6   6.207  -5.352  -6.313
   50    HA   LYS   6           HA       LYS   6   8.543  -3.876  -5.344
   51   1HB   LYS   6          1HB       LYS   6   9.090  -3.444  -7.605
   52   2HB   LYS   6          2HB       LYS   6   8.570  -5.122  -7.554
   53   1HG   LYS   6          1HG       LYS   6   6.866  -4.750  -8.939
   54   2HG   LYS   6          2HG       LYS   6   6.390  -3.272  -8.099
   55   1HD   LYS   6          1HD       LYS   6   7.060  -2.828 -10.417
   56   2HD   LYS   6          2HD       LYS   6   8.125  -2.026  -9.260
   57   1HE   LYS   6          1HE       LYS   6   9.710  -3.934  -9.505
   58   2HE   LYS   6          2HE       LYS   6   8.675  -4.569 -10.783
   59   1HZ   LYS   6          1HZ       LYS   6   9.162  -1.919 -11.412
   60   2HZ   LYS   6          2HZ       LYS   6   9.780  -3.287 -12.189
   61   3HZ   LYS   6          3HZ       LYS   6  10.655  -2.559 -10.938
   62    H    THR   7           H        THR   7   8.659  -1.565  -6.370
   63    HA   THR   7           HA       THR   7   6.047  -0.240  -6.128
   64    HB   THR   7           HB       THR   7   6.945   1.472  -4.703
   65    HG1  THR   7           HG1      THR   7   9.022   1.752  -4.374
   66   1HG2  THR   7          1HG2      THR   7   8.165  -0.251  -2.944
   67   2HG2  THR   7          2HG2      THR   7   7.091  -1.299  -3.870
   68   3HG2  THR   7          3HG2      THR   7   6.440   0.108  -3.029
   69    H    LEU   8           H        LEU   8   7.064   2.387  -6.343
   70    HA   LEU   8           HA       LEU   8   7.638   2.429  -9.188
   71   1HB   LEU   8          1HB       LEU   8   7.350   4.857  -7.454
   72   2HB   LEU   8          2HB       LEU   8   7.002   4.683  -9.163
   73    HG   LEU   8           HG       LEU   8   5.388   3.479  -6.913
   74   1HD1  LEU   8          1HD1      LEU   8   4.849   5.814  -8.739
   75   2HD1  LEU   8          2HD1      LEU   8   5.103   5.870  -6.994
   76   3HD1  LEU   8          3HD1      LEU   8   3.665   5.088  -7.652
   77   1HD2  LEU   8          1HD2      LEU   8   4.389   3.627  -9.698
   78   2HD2  LEU   8          2HD2      LEU   8   4.073   2.431  -8.439
   79   3HD2  LEU   8          3HD2      LEU   8   5.594   2.392  -9.331
   80    H    THR   9           H        THR   9   9.321   2.753  -6.227
   81    HA   THR   9           HA       THR   9  11.525   4.243  -7.402
   82    HB   THR   9           HB       THR   9  12.324   4.556  -5.259
   83    HG1  THR   9           HG1      THR   9  12.376   3.037  -3.777
   84   1HG2  THR   9          1HG2      THR   9  10.581   5.120  -3.799
   85   2HG2  THR   9          2HG2      THR   9   9.495   3.919  -4.499
   86   3HG2  THR   9          3HG2      THR   9   9.933   5.358  -5.422
   87    H    GLY  10           H        GLY  10  10.539   1.057  -7.258
   88   1HA   GLY  10          1HA       GLY  10  11.837  -0.589  -8.459
   89   2HA   GLY  10          2HA       GLY  10  13.291   0.154  -7.807
   90    H    LYS  11           H        LYS  11  12.574   0.361  -5.122
   91    HA   LYS  11           HA       LYS  11  13.423  -1.939  -3.990
   92   1HB   LYS  11          1HB       LYS  11  12.457   0.426  -3.019
   93   2HB   LYS  11          2HB       LYS  11  11.240  -0.707  -2.448
   94   1HG   LYS  11          1HG       LYS  11  13.909  -1.713  -1.994
   95   2HG   LYS  11          2HG       LYS  11  13.673  -0.128  -1.254
   96   1HD   LYS  11          1HD       LYS  11  12.024  -2.614  -0.828
   97   2HD   LYS  11          2HD       LYS  11  13.053  -1.794   0.348
   98   1HE   LYS  11          1HE       LYS  11  11.336   0.191  -0.496
   99   2HE   LYS  11          2HE       LYS  11  10.307  -1.239  -0.447
  100   1HZ   LYS  11          1HZ       LYS  11  11.757  -1.362   1.865
  101   2HZ   LYS  11          2HZ       LYS  11  10.149  -0.857   1.722
  102   3HZ   LYS  11          3HZ       LYS  11  11.397   0.284   1.708
  103    H    THR  12           H        THR  12  12.758  -3.966  -4.164
  104    HA   THR  12           HA       THR  12   9.861  -4.500  -4.175
  105    HB   THR  12           HB       THR  12  12.035  -5.898  -5.739
  106    HG1  THR  12           HG1      THR  12  10.909  -5.144  -7.499
  107   1HG2  THR  12          1HG2      THR  12  10.251  -7.286  -6.693
  108   2HG2  THR  12          2HG2      THR  12   9.125  -6.625  -5.508
  109   3HG2  THR  12          3HG2      THR  12  10.501  -7.591  -4.974
  110    H    LEU  13           H        LEU  13   9.175  -5.742  -2.566
  111    HA   LEU  13           HA       LEU  13  11.165  -7.224  -0.999
  112   1HB   LEU  13          1HB       LEU  13   9.764  -7.024   0.860
  113   2HB   LEU  13          2HB       LEU  13   9.643  -5.471   0.056
  114    HG   LEU  13           HG       LEU  13   7.573  -7.055  -1.009
  115   1HD1  LEU  13          1HD1      LEU  13   7.245  -7.072   1.949
  116   2HD1  LEU  13          2HD1      LEU  13   8.150  -8.377   1.183
  117   3HD1  LEU  13          3HD1      LEU  13   6.476  -8.077   0.720
  118   1HD2  LEU  13          1HD2      LEU  13   6.656  -5.053  -0.778
  119   2HD2  LEU  13          2HD2      LEU  13   7.973  -4.544   0.278
  120   3HD2  LEU  13          3HD2      LEU  13   6.544  -5.320   0.962
  121    H    THR  14           H        THR  14  10.784  -9.372  -0.355
  122    HA   THR  14           HA       THR  14   8.919 -10.817  -2.116
  123    HB   THR  14           HB       THR  14  11.328 -11.943  -0.681
  124    HG1  THR  14           HG1      THR  14  12.493 -11.538  -2.445
  125   1HG2  THR  14          1HG2      THR  14  11.159 -13.820  -2.066
  126   2HG2  THR  14          2HG2      THR  14   9.979 -13.041  -3.120
  127   3HG2  THR  14          3HG2      THR  14   9.520 -13.521  -1.486
  128    H    VAL  15           H        VAL  15   7.269 -11.900  -1.253
  129    HA   VAL  15           HA       VAL  15   7.358 -12.573   1.609
  130    HB   VAL  15           HB       VAL  15   4.850 -12.059   1.628
  131   1HG1  VAL  15          1HG1      VAL  15   6.233 -10.693   2.932
  132   2HG1  VAL  15          2HG1      VAL  15   5.324  -9.565   1.926
  133   3HG1  VAL  15          3HG1      VAL  15   6.994  -9.962   1.520
  134   1HG2  VAL  15          1HG2      VAL  15   5.066 -11.713  -1.002
  135   2HG2  VAL  15          2HG2      VAL  15   5.370 -10.052  -0.494
  136   3HG2  VAL  15          3HG2      VAL  15   3.867 -10.854  -0.034
  137    H    GLU  16           H        GLU  16   5.864 -14.278   2.238
  138    HA   GLU  16           HA       GLU  16   5.244 -16.089  -0.002
  139   1HB   GLU  16          1HB       GLU  16   6.726 -16.514   2.465
  140   2HB   GLU  16          2HB       GLU  16   5.410 -17.665   2.282
  141   1HG   GLU  16          1HG       GLU  16   6.478 -17.752  -0.191
  142   2HG   GLU  16          2HG       GLU  16   7.913 -17.391   0.770
  143    H    LEU  17           H        LEU  17   3.143 -16.345  -0.313
  144    HA   LEU  17           HA       LEU  17   1.368 -16.503   2.016
  145   1HB   LEU  17          1HB       LEU  17   0.738 -14.923  -0.476
  146   2HB   LEU  17          2HB       LEU  17  -0.303 -15.122   0.920
  147    HG   LEU  17           HG       LEU  17   2.380 -13.921   1.376
  148   1HD1  LEU  17          1HD1      LEU  17   1.485 -12.846  -0.699
  149   2HD1  LEU  17          2HD1      LEU  17   1.720 -11.748   0.661
  150   3HD1  LEU  17          3HD1      LEU  17   0.099 -12.311   0.252
  151   1HD2  LEU  17          1HD2      LEU  17  -0.149 -14.166   2.726
  152   2HD2  LEU  17          2HD2      LEU  17   0.335 -12.475   2.606
  153   3HD2  LEU  17          3HD2      LEU  17   1.415 -13.649   3.355
  154    H    GLU  18           H        GLU  18  -1.000 -16.990   0.916
  155    HA   GLU  18           HA       GLU  18  -0.582 -19.202  -0.978
  156   1HB   GLU  18          1HB       GLU  18  -2.648 -19.404   1.183
  157   2HB   GLU  18          2HB       GLU  18  -1.871 -20.688   0.268
  158   1HG   GLU  18          1HG       GLU  18  -0.141 -19.045   2.015
  159   2HG   GLU  18          2HG       GLU  18  -1.270 -20.148   2.800
  160    HA   PRO  19           HA       PRO  19  -3.759 -17.625  -3.561
  161   1HB   PRO  19          1HB       PRO  19  -5.006 -20.328  -3.346
  162   2HB   PRO  19          2HB       PRO  19  -4.611 -19.383  -4.785
  163   1HG   PRO  19          1HG       PRO  19  -3.089 -21.445  -4.048
  164   2HG   PRO  19          2HG       PRO  19  -2.367 -19.969  -4.715
  165   1HD   PRO  19          1HD       PRO  19  -2.442 -20.940  -1.900
  166   2HD   PRO  19          2HD       PRO  19  -1.191 -20.007  -2.742
  167    H    SER  20           H        SER  20  -4.531 -19.255  -0.590
  168    HA   SER  20           HA       SER  20  -7.298 -18.454  -0.571
  169   1HB   SER  20          1HB       SER  20  -6.945 -19.194   1.954
  170   2HB   SER  20          2HB       SER  20  -7.068 -20.387   0.661
  171    HG   SER  20           HG       SER  20  -5.049 -20.910   0.958
  172    H    ASP  21           H        ASP  21  -4.288 -17.373   0.921
  173    HA   ASP  21           HA       ASP  21  -5.080 -15.602   2.803
  174   1HB   ASP  21          1HB       ASP  21  -2.885 -15.428   0.760
  175   2HB   ASP  21          2HB       ASP  21  -3.139 -14.115   1.906
  176    H    THR  22           H        THR  22  -5.610 -13.372   2.870
  177    HA   THR  22           HA       THR  22  -6.943 -12.416   0.423
  178    HB   THR  22           HB       THR  22  -8.445 -11.144   1.922
  179    HG1  THR  22           HG1      THR  22  -7.535 -12.630   4.106
  180   1HG2  THR  22          1HG2      THR  22  -8.302 -14.104   2.384
  181   2HG2  THR  22          2HG2      THR  22  -9.344 -13.220   1.270
  182   3HG2  THR  22          3HG2      THR  22  -9.602 -13.091   3.010
  183    H    VAL  23           H        VAL  23  -7.217  -9.953   0.439
  184    HA   VAL  23           HA       VAL  23  -4.804  -8.703   0.120
  185    HB   VAL  23           HB       VAL  23  -7.380  -7.377   0.978
  186   1HG1  VAL  23          1HG1      VAL  23  -4.859  -6.280  -0.243
  187   2HG1  VAL  23          2HG1      VAL  23  -5.622  -5.815   1.278
  188   3HG1  VAL  23          3HG1      VAL  23  -6.395  -5.414  -0.256
  189   1HG2  VAL  23          1HG2      VAL  23  -7.453  -6.914  -1.560
  190   2HG2  VAL  23          2HG2      VAL  23  -7.915  -8.514  -0.979
  191   3HG2  VAL  23          3HG2      VAL  23  -6.317  -8.259  -1.680
  192    H    GLU  24           H        GLU  24  -6.811  -8.772   3.041
  193    HA   GLU  24           HA       GLU  24  -5.372  -7.021   4.633
  194   1HB   GLU  24          1HB       GLU  24  -7.024  -9.451   5.241
  195   2HB   GLU  24          2HB       GLU  24  -6.177  -8.615   6.536
  196   1HG   GLU  24          1HG       GLU  24  -7.353  -6.557   5.998
  197   2HG   GLU  24          2HG       GLU  24  -8.183  -7.368   4.672
  198    H    ASN  25           H        ASN  25  -4.862 -10.485   4.094
  199    HA   ASN  25           HA       ASN  25  -2.762 -10.863   5.901
  200   1HB   ASN  25          1HB       ASN  25  -3.470 -12.250   3.316
  201   2HB   ASN  25          2HB       ASN  25  -2.121 -12.769   4.323
  202   1HD2  ASN  25          1HD2      ASN  25  -2.549 -13.583   6.406
  203   2HD2  ASN  25          2HD2      ASN  25  -4.102 -14.219   6.814
  204    H    LEU  26           H        LEU  26  -2.608 -10.214   2.397
  205    HA   LEU  26           HA       LEU  26   0.125 -10.058   2.091
  206   1HB   LEU  26          1HB       LEU  26  -1.276  -9.951   0.168
  207   2HB   LEU  26          2HB       LEU  26  -2.083  -8.507   0.753
  208    HG   LEU  26           HG       LEU  26  -0.166  -7.151   0.314
  209   1HD1  LEU  26          1HD1      LEU  26   1.960  -7.917  -0.223
  210   2HD1  LEU  26          2HD1      LEU  26   1.377  -9.521  -0.669
  211   3HD1  LEU  26          3HD1      LEU  26   1.428  -9.041   1.027
  212   1HD2  LEU  26          1HD2      LEU  26  -0.084  -8.837  -2.119
  213   2HD2  LEU  26          2HD2      LEU  26  -0.334  -7.100  -1.948
  214   3HD2  LEU  26          3HD2      LEU  26  -1.658  -8.219  -1.620
  215    H    LYS  27           H        LYS  27  -2.074  -7.344   2.812
  216    HA   LYS  27           HA       LYS  27  -0.093  -5.400   3.162
  217   1HB   LYS  27          1HB       LYS  27  -2.782  -5.549   4.541
  218   2HB   LYS  27          2HB       LYS  27  -1.797  -4.107   4.339
  219   1HG   LYS  27          1HG       LYS  27  -2.013  -4.583   1.815
  220   2HG   LYS  27          2HG       LYS  27  -3.356  -5.627   2.289
  221   1HD   LYS  27          1HD       LYS  27  -4.498  -3.782   3.322
  222   2HD   LYS  27          2HD       LYS  27  -3.112  -2.722   3.059
  223   1HE   LYS  27          1HE       LYS  27  -3.437  -2.734   0.710
  224   2HE   LYS  27          2HE       LYS  27  -4.595  -4.059   0.809
  225   1HZ   LYS  27          1HZ       LYS  27  -5.256  -1.460   0.669
  226   2HZ   LYS  27          2HZ       LYS  27  -5.322  -1.721   2.339
  227   3HZ   LYS  27          3HZ       LYS  27  -6.260  -2.669   1.299
  228    H    ALA  28           H        ALA  28  -1.605  -7.617   5.469
  229    HA   ALA  28           HA       ALA  28  -0.577  -6.701   7.847
  230   1HB   ALA  28          1HB       ALA  28  -0.438  -9.333   8.306
  231   2HB   ALA  28          2HB       ALA  28  -1.404  -9.353   6.830
  232   3HB   ALA  28          3HB       ALA  28  -1.964  -8.452   8.239
  233    H    LYS  29           H        LYS  29   1.020  -8.586   5.344
  234    HA   LYS  29           HA       LYS  29   3.400  -9.066   6.854
  235   1HB   LYS  29          1HB       LYS  29   3.224  -9.101   3.849
  236   2HB   LYS  29          2HB       LYS  29   4.272 -10.052   4.893
  237   1HG   LYS  29          1HG       LYS  29   1.351 -10.426   5.201
  238   2HG   LYS  29          2HG       LYS  29   2.108 -11.061   3.738
  239   1HD   LYS  29          1HD       LYS  29   3.225 -11.628   6.467
  240   2HD   LYS  29          2HD       LYS  29   1.940 -12.615   5.768
  241   1HE   LYS  29          1HE       LYS  29   3.340 -13.644   4.356
  242   2HE   LYS  29          2HE       LYS  29   4.171 -12.143   3.946
  243   1HZ   LYS  29          1HZ       LYS  29   5.277 -12.365   6.192
  244   2HZ   LYS  29          2HZ       LYS  29   5.758 -13.472   5.007
  245   3HZ   LYS  29          3HZ       LYS  29   4.691 -13.952   6.228
  246    H    ILE  30           H        ILE  30   2.464  -6.758   4.331
  247    HA   ILE  30           HA       ILE  30   4.925  -5.483   4.005
  248    HB   ILE  30           HB       ILE  30   2.240  -4.117   3.843
  249   1HG1  ILE  30          1HG1      ILE  30   3.665  -5.853   1.817
  250   2HG1  ILE  30          2HG1      ILE  30   2.097  -6.158   2.558
  251   1HG2  ILE  30          1HG2      ILE  30   3.328  -2.383   2.975
  252   2HG2  ILE  30          2HG2      ILE  30   4.203  -3.417   1.846
  253   3HG2  ILE  30          3HG2      ILE  30   4.829  -3.163   3.474
  254   1HD1  ILE  30          1HD1      ILE  30   2.335  -3.615   1.107
  255   2HD1  ILE  30          2HD1      ILE  30   1.019  -4.790   1.146
  256   3HD1  ILE  30          3HD1      ILE  30   2.428  -5.076   0.124
  257    H    GLN  31           H        GLN  31   2.503  -5.160   6.498
  258    HA   GLN  31           HA       GLN  31   3.633  -2.743   7.592
  259   1HB   GLN  31          1HB       GLN  31   1.242  -3.149   7.804
  260   2HB   GLN  31          2HB       GLN  31   1.548  -4.641   8.681
  261   1HG   GLN  31          1HG       GLN  31   2.492  -3.415  10.527
  262   2HG   GLN  31          2HG       GLN  31   2.338  -1.901   9.638
  263   1HE2  GLN  31          1HE2      GLN  31   0.956  -0.847  10.952
  264   2HE2  GLN  31          2HE2      GLN  31  -0.654  -1.372  11.295
  265    H    ASP  32           H        ASP  32   4.013  -6.159   8.020
  266    HA   ASP  32           HA       ASP  32   5.446  -5.850  10.530
  267   1HB   ASP  32          1HB       ASP  32   3.996  -7.937   9.320
  268   2HB   ASP  32          2HB       ASP  32   5.665  -8.482   9.435
  269    H    LYS  33           H        LYS  33   6.152  -5.597   7.285
  270    HA   LYS  33           HA       LYS  33   8.977  -6.295   7.750
  271   1HB   LYS  33          1HB       LYS  33   7.364  -6.419   5.199
  272   2HB   LYS  33          2HB       LYS  33   9.112  -6.595   5.259
  273   1HG   LYS  33          1HG       LYS  33   8.141  -8.402   7.144
  274   2HG   LYS  33          2HG       LYS  33   7.052  -8.539   5.762
  275   1HD   LYS  33          1HD       LYS  33   9.664  -8.386   4.719
  276   2HD   LYS  33          2HD       LYS  33   9.723  -9.529   6.064
  277   1HE   LYS  33          1HE       LYS  33   7.720  -9.634   3.813
  278   2HE   LYS  33          2HE       LYS  33   9.204 -10.585   3.876
  279   1HZ   LYS  33          1HZ       LYS  33   8.412 -11.878   5.581
  280   2HZ   LYS  33          2HZ       LYS  33   6.988 -11.596   4.712
  281   3HZ   LYS  33          3HZ       LYS  33   7.307 -10.714   6.120
  282    H    GLU  34           H        GLU  34   6.875  -4.169   5.807
  283    HA   GLU  34           HA       GLU  34   9.039  -2.189   5.734
  284   1HB   GLU  34          1HB       GLU  34   6.695  -2.773   3.987
  285   2HB   GLU  34          2HB       GLU  34   7.270  -1.115   4.072
  286   1HG   GLU  34          1HG       GLU  34   8.312  -2.148   2.209
  287   2HG   GLU  34          2HG       GLU  34   9.537  -1.943   3.461
  288    H    GLY  35           H        GLY  35   6.895  -2.855   7.892
  289   1HA   GLY  35          1HA       GLY  35   5.537  -1.698   9.350
  290   2HA   GLY  35          2HA       GLY  35   6.749  -0.442   9.155
  291    H    ILE  36           H        ILE  36   4.678  -1.577   6.561
  292    HA   ILE  36           HA       ILE  36   3.551   1.119   6.365
  293    HB   ILE  36           HB       ILE  36   3.045  -0.982   4.305
  294   1HG1  ILE  36          1HG1      ILE  36   5.665   0.413   4.818
  295   2HG1  ILE  36          2HG1      ILE  36   5.373  -1.299   4.528
  296   1HG2  ILE  36          1HG2      ILE  36   3.483   1.998   4.233
  297   2HG2  ILE  36          2HG2      ILE  36   1.956   1.141   4.030
  298   3HG2  ILE  36          3HG2      ILE  36   3.220   0.991   2.810
  299   1HD1  ILE  36          1HD1      ILE  36   5.513   0.952   2.587
  300   2HD1  ILE  36          2HD1      ILE  36   4.559  -0.480   2.198
  301   3HD1  ILE  36          3HD1      ILE  36   6.283  -0.634   2.535
  302    HA   PRO  37           HA       PRO  37  -0.270  -0.536   7.966
  303   1HB   PRO  37          1HB       PRO  37  -1.637   1.769   8.037
  304   2HB   PRO  37          2HB       PRO  37  -0.318   1.440   9.166
  305   1HG   PRO  37          1HG       PRO  37  -0.319   3.102   6.678
  306   2HG   PRO  37          2HG       PRO  37   0.442   3.433   8.244
  307   1HD   PRO  37          1HD       PRO  37   1.771   2.437   6.050
  308   2HD   PRO  37          2HD       PRO  37   2.300   2.205   7.727
  309    HA   PRO  38           HA       PRO  38  -2.582  -1.397   4.279
  310   1HB   PRO  38          1HB       PRO  38  -4.889  -1.676   6.117
  311   2HB   PRO  38          2HB       PRO  38  -4.203  -2.847   4.988
  312   1HG   PRO  38          1HG       PRO  38  -3.850  -3.101   7.625
  313   2HG   PRO  38          2HG       PRO  38  -2.566  -3.525   6.479
  314   1HD   PRO  38          1HD       PRO  38  -2.856  -1.089   8.190
  315   2HD   PRO  38          2HD       PRO  38  -1.396  -2.017   7.784
  316    H    ASP  39           H        ASP  39  -3.559   0.984   6.624
  317    HA   ASP  39           HA       ASP  39  -5.759   2.078   5.242
  318   1HB   ASP  39          1HB       ASP  39  -3.861   3.352   7.222
  319   2HB   ASP  39          2HB       ASP  39  -5.367   4.082   6.673
  320    H    GLN  40           H        GLN  40  -2.364   2.318   4.731
  321    HA   GLN  40           HA       GLN  40  -2.842   4.374   2.677
  322   1HB   GLN  40          1HB       GLN  40  -0.177   4.116   4.017
  323   2HB   GLN  40          2HB       GLN  40  -0.877   5.503   3.195
  324   1HG   GLN  40          1HG       GLN  40  -2.611   5.227   5.240
  325   2HG   GLN  40          2HG       GLN  40  -1.130   4.628   5.987
  326   1HE2  GLN  40          1HE2      GLN  40   0.766   6.031   5.853
  327   2HE2  GLN  40          2HE2      GLN  40   0.537   7.742   5.903
  328    H    GLN  41           H        GLN  41  -2.677   1.344   2.692
  329    HA   GLN  41           HA       GLN  41  -0.333   0.903   1.006
  330   1HB   GLN  41          1HB       GLN  41  -2.199  -0.831   2.532
  331   2HB   GLN  41          2HB       GLN  41  -1.496  -1.511   1.071
  332   1HG   GLN  41          1HG       GLN  41   0.752  -0.943   1.961
  333   2HG   GLN  41          2HG       GLN  41  -0.023  -0.439   3.464
  334   1HE2  GLN  41          1HE2      GLN  41   0.072  -1.906   4.986
  335   2HE2  GLN  41          2HE2      GLN  41   0.044  -3.618   4.765
  336    H    ARG  42           H        ARG  42  -0.445   0.957  -1.132
  337    HA   ARG  42           HA       ARG  42  -3.088   0.696  -2.407
  338   1HB   ARG  42          1HB       ARG  42  -1.942   2.920  -2.625
  339   2HB   ARG  42          2HB       ARG  42  -0.662   2.111  -3.519
  340   1HG   ARG  42          1HG       ARG  42  -1.816   2.352  -5.388
  341   2HG   ARG  42          2HG       ARG  42  -3.129   1.388  -4.707
  342   1HD   ARG  42          1HD       ARG  42  -4.141   3.414  -5.284
  343   2HD   ARG  42          2HD       ARG  42  -3.867   3.542  -3.547
  344    HE   ARG  42           HE       ARG  42  -1.682   4.631  -4.977
  345   1HH1  ARG  42          1HH1      ARG  42  -4.795   7.011  -4.157
  346   2HH1  ARG  42          2HH1      ARG  42  -4.987   5.291  -4.099
  347   1HH2  ARG  42          1HH2      ARG  42  -1.418   6.895  -5.056
  348   2HH2  ARG  42          2HH2      ARG  42  -2.766   7.924  -4.701
  349    H    LEU  43           H        LEU  43  -3.098  -1.495  -2.781
  350    HA   LEU  43           HA       LEU  43  -0.831  -2.733  -4.118
  351   1HB   LEU  43          1HB       LEU  43  -3.456  -4.039  -3.443
  352   2HB   LEU  43          2HB       LEU  43  -1.908  -4.812  -3.732
  353    HG   LEU  43           HG       LEU  43  -2.574  -3.083  -1.347
  354   1HD1  LEU  43          1HD1      LEU  43  -3.699  -5.347  -1.508
  355   2HD1  LEU  43          2HD1      LEU  43  -2.720  -5.056  -0.071
  356   3HD1  LEU  43          3HD1      LEU  43  -2.085  -6.048  -1.385
  357   1HD2  LEU  43          1HD2      LEU  43  -0.230  -4.850  -1.301
  358   2HD2  LEU  43          2HD2      LEU  43  -0.424  -3.202  -0.703
  359   3HD2  LEU  43          3HD2      LEU  43  -0.112  -3.488  -2.416
  360    H    ILE  44           H        ILE  44  -0.657  -2.641  -6.247
  361    HA   ILE  44           HA       ILE  44  -3.116  -2.771  -7.867
  362    HB   ILE  44           HB       ILE  44  -0.664  -1.084  -8.363
  363   1HG1  ILE  44          1HG1      ILE  44  -3.586  -0.333  -8.133
  364   2HG1  ILE  44          2HG1      ILE  44  -2.406  -0.171  -6.835
  365   1HG2  ILE  44          1HG2      ILE  44  -2.284  -0.419 -10.388
  366   2HG2  ILE  44          2HG2      ILE  44  -2.712  -2.122 -10.221
  367   3HG2  ILE  44          3HG2      ILE  44  -1.037  -1.659 -10.518
  368   1HD1  ILE  44          1HD1      ILE  44  -3.069   1.774  -8.616
  369   2HD1  ILE  44          2HD1      ILE  44  -1.596   1.113  -9.324
  370   3HD1  ILE  44          3HD1      ILE  44  -1.582   1.722  -7.669
  371    H    PHE  45           H        PHE  45  -3.180  -4.468  -9.175
  372    HA   PHE  45           HA       PHE  45  -0.640  -5.628 -10.114
  373   1HB   PHE  45          1HB       PHE  45  -1.675  -7.017  -8.329
  374   2HB   PHE  45          2HB       PHE  45  -3.115  -7.183  -9.330
  375    HD1  PHE  45           HD1      PHE  45  -3.150  -9.493  -9.713
  376    HD2  PHE  45           HD2      PHE  45   0.411  -7.271 -10.470
  377    HE1  PHE  45           HE1      PHE  45  -2.159 -11.463 -10.815
  378    HE2  PHE  45           HE2      PHE  45   1.407  -9.237 -11.575
  379    HZ   PHE  45           HZ       PHE  45   0.121 -11.335 -11.749
  380    H    ALA  46           H        ALA  46  -0.484  -5.798 -12.253
  381    HA   ALA  46           HA       ALA  46  -1.026  -5.560 -14.462
  382   1HB   ALA  46          1HB       ALA  46  -2.882  -7.056 -15.209
  383   2HB   ALA  46          2HB       ALA  46  -3.227  -7.385 -13.511
  384   3HB   ALA  46          3HB       ALA  46  -1.671  -7.847 -14.200
  385    H    GLY  47           H        GLY  47  -1.860  -3.369 -12.966
  386   1HA   GLY  47          1HA       GLY  47  -3.134  -1.479 -13.256
  387   2HA   GLY  47          2HA       GLY  47  -3.778  -2.220 -14.714
  388    H    LYS  48           H        LYS  48  -4.003  -3.675 -11.533
  389    HA   LYS  48           HA       LYS  48  -6.802  -2.869 -11.296
  390   1HB   LYS  48          1HB       LYS  48  -5.887  -5.523 -12.054
  391   2HB   LYS  48          2HB       LYS  48  -6.853  -5.559 -10.586
  392   1HG   LYS  48          1HG       LYS  48  -8.395  -3.970 -12.100
  393   2HG   LYS  48          2HG       LYS  48  -7.636  -4.947 -13.359
  394   1HD   LYS  48          1HD       LYS  48  -8.287  -6.879 -11.605
  395   2HD   LYS  48          2HD       LYS  48  -9.570  -5.716 -11.262
  396   1HE   LYS  48          1HE       LYS  48  -9.818  -5.647 -13.854
  397   2HE   LYS  48          2HE       LYS  48  -8.971  -7.192 -13.791
  398   1HZ   LYS  48          1HZ       LYS  48 -10.803  -8.211 -13.103
  399   2HZ   LYS  48          2HZ       LYS  48 -11.658  -6.795 -13.460
  400   3HZ   LYS  48          3HZ       LYS  48 -11.092  -7.067 -11.889
  401    H    GLN  49           H        GLN  49  -6.829  -1.926  -9.362
  402    HA   GLN  49           HA       GLN  49  -5.041  -2.637  -7.253
  403   1HB   GLN  49          1HB       GLN  49  -5.752  -0.355  -7.410
  404   2HB   GLN  49          2HB       GLN  49  -7.448  -0.819  -7.357
  405   1HG   GLN  49          1HG       GLN  49  -7.245  -1.502  -5.064
  406   2HG   GLN  49          2HG       GLN  49  -5.504  -1.223  -5.096
  407   1HE2  GLN  49          1HE2      GLN  49  -4.934   0.562  -4.106
  408   2HE2  GLN  49          2HE2      GLN  49  -5.840   2.030  -4.033
  409    H    LEU  50           H        LEU  50  -5.362  -3.876  -5.479
  410    HA   LEU  50           HA       LEU  50  -7.531  -5.752  -5.535
  411   1HB   LEU  50          1HB       LEU  50  -5.633  -5.423  -3.237
  412   2HB   LEU  50          2HB       LEU  50  -6.424  -6.881  -3.806
  413    HG   LEU  50           HG       LEU  50  -4.189  -5.429  -5.225
  414   1HD1  LEU  50          1HD1      LEU  50  -3.366  -7.988  -4.630
  415   2HD1  LEU  50          2HD1      LEU  50  -4.240  -7.492  -3.179
  416   3HD1  LEU  50          3HD1      LEU  50  -2.895  -6.518  -3.775
  417   1HD2  LEU  50          1HD2      LEU  50  -5.850  -6.578  -6.702
  418   2HD2  LEU  50          2HD2      LEU  50  -5.433  -8.089  -5.894
  419   3HD2  LEU  50          3HD2      LEU  50  -4.207  -7.211  -6.810
  420    H    GLU  51           H        GLU  51  -9.046  -6.119  -3.828
  421    HA   GLU  51           HA       GLU  51  -9.724  -3.662  -2.352
  422   1HB   GLU  51          1HB       GLU  51 -11.618  -5.856  -3.199
  423   2HB   GLU  51          2HB       GLU  51 -12.046  -4.310  -2.482
  424   1HG   GLU  51          1HG       GLU  51 -11.177  -3.166  -4.472
  425   2HG   GLU  51          2HG       GLU  51 -10.807  -4.732  -5.193
  426    H    ASP  52           H        ASP  52  -9.439  -3.781  -0.232
  427    HA   ASP  52           HA       ASP  52  -8.650  -6.016   1.181
  428   1HB   ASP  52          1HB       ASP  52  -9.685  -4.602   3.174
  429   2HB   ASP  52          2HB       ASP  52  -8.215  -4.095   2.355
  430    H    GLY  53           H        GLY  53  -9.797  -7.864   1.148
  431   1HA   GLY  53          1HA       GLY  53 -11.704  -8.687   2.714
  432   2HA   GLY  53          2HA       GLY  53 -12.694  -7.741   1.613
  433    H    ARG  54           H        ARG  54 -10.518  -8.683  -0.456
  434    HA   ARG  54           HA       ARG  54 -11.966 -11.146  -1.133
  435   1HB   ARG  54          1HB       ARG  54 -10.149  -9.663  -3.009
  436   2HB   ARG  54          2HB       ARG  54 -11.489 -10.733  -3.391
  437   1HG   ARG  54          1HG       ARG  54 -11.839  -8.057  -2.065
  438   2HG   ARG  54          2HG       ARG  54 -11.897  -8.298  -3.813
  439   1HD   ARG  54          1HD       ARG  54 -13.915  -9.325  -3.742
  440   2HD   ARG  54          2HD       ARG  54 -13.595 -10.083  -2.183
  441    HE   ARG  54           HE       ARG  54 -13.862  -7.364  -1.716
  442   1HH1  ARG  54          1HH1      ARG  54 -17.308  -9.298  -2.361
  443   2HH1  ARG  54          2HH1      ARG  54 -15.817  -9.980  -2.921
  444   1HH2  ARG  54          1HH2      ARG  54 -15.819  -6.453  -0.974
  445   2HH2  ARG  54          2HH2      ARG  54 -17.309  -7.291  -1.255
  446    H    THR  55           H        THR  55 -10.615 -12.787  -2.368
  447    HA   THR  55           HA       THR  55  -8.175 -13.274  -0.830
  448    HB   THR  55           HB       THR  55  -8.368 -15.582  -1.562
  449    HG1  THR  55           HG1      THR  55 -10.448 -15.992  -2.791
  450   1HG2  THR  55          1HG2      THR  55 -11.152 -15.490  -1.028
  451   2HG2  THR  55          2HG2      THR  55 -10.344 -14.291  -0.018
  452   3HG2  THR  55          3HG2      THR  55  -9.833 -15.978   0.037
  453    H    LEU  56           H        LEU  56  -6.343 -14.329  -2.001
  454    HA   LEU  56           HA       LEU  56  -5.480 -12.670  -4.128
  455   1HB   LEU  56          1HB       LEU  56  -4.346 -15.252  -3.052
  456   2HB   LEU  56          2HB       LEU  56  -3.536 -14.234  -4.227
  457    HG   LEU  56           HG       LEU  56  -3.936 -13.807  -1.310
  458   1HD1  LEU  56          1HD1      LEU  56  -1.707 -13.759  -1.285
  459   2HD1  LEU  56          2HD1      LEU  56  -1.627 -12.659  -2.660
  460   3HD1  LEU  56          3HD1      LEU  56  -1.797 -14.394  -2.928
  461   1HD2  LEU  56          1HD2      LEU  56  -3.747 -11.590  -3.342
  462   2HD2  LEU  56          2HD2      LEU  56  -3.441 -11.390  -1.617
  463   3HD2  LEU  56          3HD2      LEU  56  -5.043 -11.865  -2.179
  464    H    SER  57           H        SER  57  -6.743 -15.959  -3.982
  465    HA   SER  57           HA       SER  57  -6.214 -16.785  -6.582
  466   1HB   SER  57          1HB       SER  57  -7.176 -18.607  -5.698
  467   2HB   SER  57          2HB       SER  57  -7.881 -17.652  -4.394
  468    HG   SER  57           HG       SER  57  -8.978 -17.924  -6.997
  469    H    ASP  58           H        ASP  58  -9.007 -14.996  -5.318
  470    HA   ASP  58           HA       ASP  58 -10.624 -14.892  -7.524
  471   1HB   ASP  58          1HB       ASP  58 -10.045 -12.640  -5.589
  472   2HB   ASP  58          2HB       ASP  58 -11.428 -12.710  -6.677
  473    H    TYR  59           H        TYR  59  -7.588 -13.266  -7.021
  474    HA   TYR  59           HA       TYR  59  -7.941 -11.691  -9.464
  475   1HB   TYR  59          1HB       TYR  59  -5.826 -11.621  -7.306
  476   2HB   TYR  59          2HB       TYR  59  -5.761 -10.641  -8.769
  477    HD1  TYR  59           HD1      TYR  59  -7.659  -8.994  -9.196
  478    HD2  TYR  59           HD2      TYR  59  -7.054 -10.909  -5.435
  479    HE1  TYR  59           HE1      TYR  59  -9.030  -7.264  -8.100
  480    HE2  TYR  59           HE2      TYR  59  -8.424  -9.184  -4.330
  481    HH   TYR  59           HH       TYR  59 -10.489  -7.244  -5.812
  482    H    ASN  60           H        ASN  60  -7.416 -14.683  -9.225
  483    HA   ASN  60           HA       ASN  60  -6.100 -16.298 -10.171
  484   1HB   ASN  60          1HB       ASN  60  -5.518 -15.850 -12.531
  485   2HB   ASN  60          2HB       ASN  60  -7.171 -15.375 -12.154
  486   1HD2  ASN  60          1HD2      ASN  60  -3.899 -14.166 -12.600
  487   2HD2  ASN  60          2HD2      ASN  60  -4.357 -12.571 -13.080
  488    H    LEU  61           H        LEU  61  -4.665 -14.985  -8.258
  489    HA   LEU  61           HA       LEU  61  -2.151 -14.051  -9.286
  490   1HB   LEU  61          1HB       LEU  61  -3.121 -14.729  -6.517
  491   2HB   LEU  61          2HB       LEU  61  -1.479 -14.206  -6.840
  492    HG   LEU  61           HG       LEU  61  -3.995 -12.610  -7.331
  493   1HD1  LEU  61          1HD1      LEU  61  -2.114 -12.826  -5.111
  494   2HD1  LEU  61          2HD1      LEU  61  -3.739 -12.143  -5.161
  495   3HD1  LEU  61          3HD1      LEU  61  -2.359 -11.173  -5.676
  496   1HD2  LEU  61          1HD2      LEU  61  -2.709 -11.748  -8.985
  497   2HD2  LEU  61          2HD2      LEU  61  -1.199 -12.257  -8.230
  498   3HD2  LEU  61          3HD2      LEU  61  -2.043 -10.826  -7.638
  499    H    GLN  62           H        GLN  62  -0.617 -15.325 -10.063
  500    HA   GLN  62           HA       GLN  62  -0.540 -18.138  -9.254
  501   1HB   GLN  62          1HB       GLN  62   0.561 -16.620 -11.602
  502   2HB   GLN  62          2HB       GLN  62   1.173 -18.218 -11.197
  503   1HG   GLN  62          1HG       GLN  62  -1.754 -17.980 -11.355
  504   2HG   GLN  62          2HG       GLN  62  -0.881 -17.765 -12.872
  505   1HE2  GLN  62          1HE2      GLN  62  -1.086 -19.925 -10.074
  506   2HE2  GLN  62          2HE2      GLN  62  -0.787 -21.382 -10.955
  507    H    LYS  63           H        LYS  63   1.802 -19.060  -9.276
  508    HA   LYS  63           HA       LYS  63   3.182 -17.854  -7.110
  509   1HB   LYS  63          1HB       LYS  63   3.140 -20.302  -7.574
  510   2HB   LYS  63          2HB       LYS  63   4.165 -20.021  -8.976
  511   1HG   LYS  63          1HG       LYS  63   6.016 -19.862  -7.738
  512   2HG   LYS  63          2HG       LYS  63   5.221 -18.886  -6.500
  513   1HD   LYS  63          1HD       LYS  63   4.539 -20.722  -5.296
  514   2HD   LYS  63          2HD       LYS  63   4.545 -21.781  -6.708
  515   1HE   LYS  63          1HE       LYS  63   7.057 -20.638  -5.510
  516   2HE   LYS  63          2HE       LYS  63   6.369 -22.177  -4.996
  517   1HZ   LYS  63          1HZ       LYS  63   8.085 -22.480  -6.670
  518   2HZ   LYS  63          2HZ       LYS  63   7.228 -21.512  -7.760
  519   3HZ   LYS  63          3HZ       LYS  63   6.583 -22.992  -7.257
  520    H    GLU  64           H        GLU  64   4.531 -16.197  -7.173
  521    HA   GLU  64           HA       GLU  64   6.355 -14.943  -7.814
  522   1HB   GLU  64          1HB       GLU  64   6.379 -16.359 -10.471
  523   2HB   GLU  64          2HB       GLU  64   7.700 -15.515  -9.674
  524   1HG   GLU  64          1HG       GLU  64   6.723 -17.669  -8.033
  525   2HG   GLU  64          2HG       GLU  64   7.170 -18.246  -9.638
  526    H    SER  65           H        SER  65   4.612 -13.353  -7.776
  527    HA   SER  65           HA       SER  65   3.987 -12.355 -10.477
  528   1HB   SER  65          1HB       SER  65   2.283 -12.547  -8.023
  529   2HB   SER  65          2HB       SER  65   1.996 -11.236  -9.167
  530    HG   SER  65           HG       SER  65   1.504 -12.697 -10.729
  531    H    THR  66           H        THR  66   4.172 -10.161 -10.853
  532    HA   THR  66           HA       THR  66   5.702  -8.690  -8.824
  533    HB   THR  66           HB       THR  66   5.394  -7.966 -11.737
  534    HG1  THR  66           HG1      THR  66   7.193  -9.734 -10.481
  535   1HG2  THR  66          1HG2      THR  66   7.645  -7.320  -9.858
  536   2HG2  THR  66          2HG2      THR  66   6.285  -6.239 -10.164
  537   3HG2  THR  66          3HG2      THR  66   7.367  -6.689 -11.481
  538    H    ILE  67           H        ILE  67   4.076  -7.856  -7.546
  539    HA   ILE  67           HA       ILE  67   1.965  -6.284  -8.817
  540    HB   ILE  67           HB       ILE  67   2.386  -7.158  -5.962
  541   1HG1  ILE  67          1HG1      ILE  67   0.067  -8.195  -6.495
  542   2HG1  ILE  67          2HG1      ILE  67   0.502  -7.919  -8.179
  543   1HG2  ILE  67          1HG2      ILE  67   0.253  -5.361  -7.102
  544   2HG2  ILE  67          2HG2      ILE  67   1.445  -4.953  -5.868
  545   3HG2  ILE  67          3HG2      ILE  67   0.171  -6.120  -5.512
  546   1HD1  ILE  67          1HD1      ILE  67   2.684  -9.191  -7.506
  547   2HD1  ILE  67          2HD1      ILE  67   1.204 -10.070  -7.889
  548   3HD1  ILE  67          3HD1      ILE  67   1.665  -9.812  -6.207
  549    H    HIS  68           H        HIS  68   1.720  -4.101  -8.564
  550    HA   HIS  68           HA       HIS  68   4.073  -2.664  -7.595
  551   1HB   HIS  68          1HB       HIS  68   1.734  -1.810  -9.306
  552   2HB   HIS  68          2HB       HIS  68   2.981  -0.700  -8.745
  553    HD1  HIS  68           HD1      HIS  68   4.358  -0.189 -10.738
  554    HD2  HIS  68           HD2      HIS  68   3.468  -4.239 -10.461
  555    HE1  HIS  68           HE1      HIS  68   5.622  -1.285 -12.615
  556    HE2  HIS  68           HE2      HIS  68   5.145  -3.746 -12.368
  557    H    LEU  69           H        LEU  69   4.066  -1.868  -5.610
  558    HA   LEU  69           HA       LEU  69   1.493  -1.281  -4.320
  559   1HB   LEU  69          1HB       LEU  69   2.742  -2.850  -3.053
  560   2HB   LEU  69          2HB       LEU  69   4.219  -1.921  -3.222
  561    HG   LEU  69           HG       LEU  69   2.719  -0.112  -1.916
  562   1HD1  LEU  69          1HD1      LEU  69   0.767  -1.535  -1.756
  563   2HD1  LEU  69          2HD1      LEU  69   1.454  -1.267  -0.154
  564   3HD1  LEU  69          3HD1      LEU  69   1.723  -2.800  -0.982
  565   1HD2  LEU  69          1HD2      LEU  69   4.840  -1.890  -1.316
  566   2HD2  LEU  69          2HD2      LEU  69   3.755  -1.853   0.074
  567   3HD2  LEU  69          3HD2      LEU  69   4.443  -0.353  -0.548
  568    H    VAL  70           H        VAL  70   0.898   0.763  -4.323
  569    HA   VAL  70           HA       VAL  70   2.963   2.849  -4.397
  570    HB   VAL  70           HB       VAL  70   0.104   3.552  -4.768
  571   1HG1  VAL  70          1HG1      VAL  70   1.469   5.390  -5.002
  572   2HG1  VAL  70          2HG1      VAL  70   1.318   4.859  -6.678
  573   3HG1  VAL  70          3HG1      VAL  70   2.768   4.463  -5.755
  574   1HG2  VAL  70          1HG2      VAL  70   0.136   2.888  -7.124
  575   2HG2  VAL  70          2HG2      VAL  70   0.275   1.489  -6.059
  576   3HG2  VAL  70          3HG2      VAL  70   1.703   2.114  -6.884
  577    H    LEU  71           H        LEU  71   2.722   4.725  -3.087
  578    HA   LEU  71           HA       LEU  71   1.450   4.134  -0.509
  579   1HB   LEU  71          1HB       LEU  71   3.996   4.922  -1.049
  580   2HB   LEU  71          2HB       LEU  71   3.235   6.467  -0.725
  581    HG   LEU  71           HG       LEU  71   4.217   5.655   1.310
  582   1HD1  LEU  71          1HD1      LEU  71   1.775   6.620   1.194
  583   2HD1  LEU  71          2HD1      LEU  71   2.445   6.020   2.710
  584   3HD1  LEU  71          3HD1      LEU  71   1.349   5.008   1.769
  585   1HD2  LEU  71          1HD2      LEU  71   4.443   3.340   0.946
  586   2HD2  LEU  71          2HD2      LEU  71   2.710   3.129   0.696
  587   3HD2  LEU  71          3HD2      LEU  71   3.331   3.499   2.304
  588    H    ARG  72           H        ARG  72  -0.511   4.983  -0.292
  589    HA   ARG  72           HA       ARG  72  -1.813   6.821  -1.779
  590   1HB   ARG  72          1HB       ARG  72  -2.778   5.529   0.128
  591   2HB   ARG  72          2HB       ARG  72  -2.033   6.677   1.232
  592   1HG   ARG  72          1HG       ARG  72  -3.498   8.353   0.706
  593   2HG   ARG  72          2HG       ARG  72  -3.822   7.713  -0.906
  594   1HD   ARG  72          1HD       ARG  72  -5.321   6.132  -0.119
  595   2HD   ARG  72          2HD       ARG  72  -4.657   6.170   1.514
  596    HE   ARG  72           HE       ARG  72  -6.758   7.784   0.497
  597   1HH1  ARG  72          1HH1      ARG  72  -4.688   9.079   3.670
  598   2HH1  ARG  72          2HH1      ARG  72  -4.028   7.839   2.658
  599   1HH2  ARG  72          1HH2      ARG  72  -7.638   9.418   1.824
  600   2HH2  ARG  72          2HH2      ARG  72  -6.741   9.978   3.196
  601    H    LEU  73           H        LEU  73  -0.868   8.640  -2.514
  602    HA   LEU  73           HA       LEU  73   0.808  10.301  -0.922
  603   1HB   LEU  73          1HB       LEU  73  -0.569  10.926  -3.533
  604   2HB   LEU  73          2HB       LEU  73   0.748  11.839  -2.824
  605    HG   LEU  73           HG       LEU  73   1.428   9.030  -3.162
  606   1HD1  LEU  73          1HD1      LEU  73   0.175  10.475  -5.404
  607   2HD1  LEU  73          2HD1      LEU  73   0.336   8.744  -5.113
  608   3HD1  LEU  73          3HD1      LEU  73   1.697   9.658  -5.761
  609   1HD2  LEU  73          1HD2      LEU  73   3.051  10.776  -2.687
  610   2HD2  LEU  73          2HD2      LEU  73   2.627  11.599  -4.188
  611   3HD2  LEU  73          3HD2      LEU  73   3.395  10.012  -4.239
  612    H    ARG  74           H        ARG  74  -2.541   9.969  -1.179
  613    HA   ARG  74           HA       ARG  74  -3.355  11.537   0.826
  614   1HB   ARG  74          1HB       ARG  74  -2.498  13.228  -1.407
  615   2HB   ARG  74          2HB       ARG  74  -4.125  13.587  -0.845
  616   1HG   ARG  74          1HG       ARG  74  -3.409  14.431   1.116
  617   2HG   ARG  74          2HG       ARG  74  -2.084  13.274   1.255
  618   1HD   ARG  74          1HD       ARG  74  -0.622  14.622   0.187
  619   2HD   ARG  74          2HD       ARG  74  -1.841  15.231  -0.932
  620    HE   ARG  74           HE       ARG  74  -2.430  16.291   1.562
  621   1HH1  ARG  74          1HH1      ARG  74   0.647  18.030  -0.317
  622   2HH1  ARG  74          2HH1      ARG  74   0.159  16.428  -0.762
  623   1HH2  ARG  74          1HH2      ARG  74  -1.797  18.400   2.157
  624   2HH2  ARG  74          2HH2      ARG  74  -0.465  19.151   1.343
  625    H    GLY  75           H        GLY  75  -4.635  12.474  -2.304
  626   1HA   GLY  75          1HA       GLY  75  -6.985  10.768  -1.756
  627   2HA   GLY  75          2HA       GLY  75  -7.075  12.342  -2.532
  628    H    GLY  76           H        GLY  76  -4.400  10.477  -3.505
  629   1HA   GLY  76          1HA       GLY  76  -3.859   9.675  -5.599
  630   2HA   GLY  76          2HA       GLY  76  -5.297   8.694  -5.355
  Start of MODEL    7
    1   1H    MET   1          1H        MET   1   2.880 -20.271  -1.855
    2   2H    MET   1          2H        MET   1   4.524 -19.917  -2.197
    3   3H    MET   1          3H        MET   1   3.663 -21.036  -3.174
    4    HA   MET   1           HA       MET   1   3.439 -19.319  -4.508
    5   1HB   MET   1          1HB       MET   1   1.187 -19.676  -3.992
    6   2HB   MET   1          2HB       MET   1   1.361 -19.040  -2.362
    7   1HG   MET   1          1HG       MET   1   0.108 -17.463  -3.594
    8   2HG   MET   1          2HG       MET   1   1.718 -16.782  -3.375
    9   1HE   MET   1          1HE       MET   1  -1.004 -16.817  -5.379
   10   2HE   MET   1          2HE       MET   1  -0.477 -16.609  -7.049
   11   3HE   MET   1          3HE       MET   1  -0.059 -15.399  -5.836
   12    H    GLN   2           H        GLN   2   5.178 -17.981  -4.603
   13    HA   GLN   2           HA       GLN   2   5.657 -16.009  -2.538
   14   1HB   GLN   2          1HB       GLN   2   7.354 -17.364  -4.110
   15   2HB   GLN   2          2HB       GLN   2   7.156 -15.925  -5.101
   16   1HG   GLN   2          1HG       GLN   2   8.824 -15.101  -3.878
   17   2HG   GLN   2          2HG       GLN   2   7.586 -14.835  -2.651
   18   1HE2  GLN   2          1HE2      GLN   2   7.901 -15.707  -0.729
   19   2HE2  GLN   2          2HE2      GLN   2   9.025 -16.967  -0.361
   20    H    LEU   3           H        LEU   3   5.851 -13.726  -2.992
   21    HA   LEU   3           HA       LEU   3   4.382 -12.775  -5.338
   22   1HB   LEU   3          1HB       LEU   3   3.789 -11.681  -2.601
   23   2HB   LEU   3          2HB       LEU   3   2.910 -11.404  -4.092
   24    HG   LEU   3           HG       LEU   3   3.052 -14.179  -2.995
   25   1HD1  LEU   3          1HD1      LEU   3   1.208 -13.828  -1.541
   26   2HD1  LEU   3          2HD1      LEU   3   1.022 -12.159  -2.076
   27   3HD1  LEU   3          3HD1      LEU   3   2.430 -12.628  -1.124
   28   1HD2  LEU   3          1HD2      LEU   3   0.995 -12.610  -4.544
   29   2HD2  LEU   3          2HD2      LEU   3   0.805 -14.282  -4.015
   30   3HD2  LEU   3          3HD2      LEU   3   2.065 -13.863  -5.175
   31    H    PHE   4           H        PHE   4   5.541 -11.267  -6.318
   32    HA   PHE   4           HA       PHE   4   7.645  -9.888  -4.837
   33   1HB   PHE   4          1HB       PHE   4   7.070 -10.297  -7.759
   34   2HB   PHE   4          2HB       PHE   4   8.205  -9.059  -7.231
   35    HD1  PHE   4           HD1      PHE   4  10.193  -9.952  -8.132
   36    HD2  PHE   4           HD2      PHE   4   7.717 -12.355  -5.626
   37    HE1  PHE   4           HE1      PHE   4  11.979 -11.647  -8.000
   38    HE2  PHE   4           HE2      PHE   4   9.498 -14.054  -5.489
   39    HZ   PHE   4           HZ       PHE   4  11.632 -13.701  -6.677
   40    H    VAL   5           H        VAL   5   6.936  -8.126  -3.803
   41    HA   VAL   5           HA       VAL   5   5.013  -6.362  -5.143
   42    HB   VAL   5           HB       VAL   5   5.897  -6.518  -2.262
   43   1HG1  VAL   5          1HG1      VAL   5   3.957  -4.575  -3.509
   44   2HG1  VAL   5          2HG1      VAL   5   5.575  -4.177  -2.930
   45   3HG1  VAL   5          3HG1      VAL   5   4.338  -4.716  -1.793
   46   1HG2  VAL   5          1HG2      VAL   5   4.075  -8.044  -3.531
   47   2HG2  VAL   5          2HG2      VAL   5   3.058  -6.690  -3.036
   48   3HG2  VAL   5          3HG2      VAL   5   3.964  -7.600  -1.828
   49    H    LYS   6           H        LYS   6   6.082  -4.992  -6.453
   50    HA   LYS   6           HA       LYS   6   8.521  -3.697  -5.463
   51   1HB   LYS   6          1HB       LYS   6   9.106  -3.256  -7.681
   52   2HB   LYS   6          2HB       LYS   6   8.356  -4.844  -7.765
   53   1HG   LYS   6          1HG       LYS   6   6.195  -3.523  -8.305
   54   2HG   LYS   6          2HG       LYS   6   7.307  -2.210  -8.698
   55   1HD   LYS   6          1HD       LYS   6   7.832  -4.910  -9.837
   56   2HD   LYS   6          2HD       LYS   6   6.527  -3.942 -10.528
   57   1HE   LYS   6          1HE       LYS   6   8.324  -3.304 -11.825
   58   2HE   LYS   6          2HE       LYS   6   8.319  -2.056 -10.580
   59   1HZ   LYS   6          1HZ       LYS   6  10.046  -3.256  -9.406
   60   2HZ   LYS   6          2HZ       LYS   6  10.545  -2.922 -10.988
   61   3HZ   LYS   6          3HZ       LYS   6  10.035  -4.481 -10.572
   62    H    THR   7           H        THR   7   8.758  -1.443  -5.478
   63    HA   THR   7           HA       THR   7   6.215   0.044  -5.547
   64    HB   THR   7           HB       THR   7   7.005   1.444  -3.794
   65    HG1  THR   7           HG1      THR   7   9.112   1.368  -3.049
   66   1HG2  THR   7          1HG2      THR   7   7.756  -0.160  -2.003
   67   2HG2  THR   7          2HG2      THR   7   7.690  -1.422  -3.235
   68   3HG2  THR   7          3HG2      THR   7   6.228  -0.537  -2.798
   69    H    LEU   8           H        LEU   8   7.170   2.608  -5.422
   70    HA   LEU   8           HA       LEU   8   8.020   3.017  -8.133
   71   1HB   LEU   8          1HB       LEU   8   7.602   4.999  -5.893
   72   2HB   LEU   8          2HB       LEU   8   7.860   5.413  -7.577
   73    HG   LEU   8           HG       LEU   8   5.482   3.943  -6.437
   74   1HD1  LEU   8          1HD1      LEU   8   4.301   5.976  -7.384
   75   2HD1  LEU   8          2HD1      LEU   8   5.895   6.721  -7.503
   76   3HD1  LEU   8          3HD1      LEU   8   5.265   6.229  -5.930
   77   1HD2  LEU   8          1HD2      LEU   8   6.037   3.062  -8.630
   78   2HD2  LEU   8          2HD2      LEU   8   6.108   4.697  -9.287
   79   3HD2  LEU   8          3HD2      LEU   8   4.574   4.043  -8.712
   80    H    THR   9           H        THR   9   9.740   2.131  -5.529
   81    HA   THR   9           HA       THR   9  12.037   3.863  -6.086
   82    HB   THR   9           HB       THR   9  13.011   2.829  -4.038
   83    HG1  THR   9           HG1      THR   9  10.916   1.163  -4.367
   84   1HG2  THR   9          1HG2      THR   9  10.291   3.781  -3.275
   85   2HG2  THR   9          2HG2      THR   9  11.443   4.885  -4.026
   86   3HG2  THR   9          3HG2      THR   9  11.848   4.089  -2.506
   87    H    GLY  10           H        GLY  10  10.796   0.971  -7.110
   88   1HA   GLY  10          1HA       GLY  10  11.808  -0.467  -8.655
   89   2HA   GLY  10          2HA       GLY  10  13.377   0.171  -8.189
   90    H    LYS  11           H        LYS  11  12.352  -0.308  -5.292
   91    HA   LYS  11           HA       LYS  11  13.731  -2.733  -4.884
   92   1HB   LYS  11          1HB       LYS  11  13.314  -0.829  -3.220
   93   2HB   LYS  11          2HB       LYS  11  11.738  -1.562  -2.955
   94   1HG   LYS  11          1HG       LYS  11  13.551  -3.661  -2.718
   95   2HG   LYS  11          2HG       LYS  11  14.309  -2.298  -1.890
   96   1HD   LYS  11          1HD       LYS  11  11.789  -2.079  -0.960
   97   2HD   LYS  11          2HD       LYS  11  11.880  -3.824  -1.202
   98   1HE   LYS  11          1HE       LYS  11  13.826  -2.162   0.396
   99   2HE   LYS  11          2HE       LYS  11  12.552  -3.180   1.066
  100   1HZ   LYS  11          1HZ       LYS  11  15.084  -3.976   0.628
  101   2HZ   LYS  11          2HZ       LYS  11  14.313  -4.543  -0.767
  102   3HZ   LYS  11          3HZ       LYS  11  13.758  -5.020   0.759
  103    H    THR  12           H        THR  12  13.067  -4.807  -4.710
  104    HA   THR  12           HA       THR  12  10.205  -5.332  -5.173
  105    HB   THR  12           HB       THR  12  12.328  -7.355  -5.777
  106    HG1  THR  12           HG1      THR  12  13.162  -5.896  -7.063
  107   1HG2  THR  12          1HG2      THR  12  10.823  -8.036  -7.536
  108   2HG2  THR  12          2HG2      THR  12   9.734  -6.702  -7.155
  109   3HG2  THR  12          3HG2      THR  12   9.977  -8.003  -5.990
  110    H    LEU  13           H        LEU  13   9.143  -6.245  -3.555
  111    HA   LEU  13           HA       LEU  13  10.661  -7.512  -1.395
  112   1HB   LEU  13          1HB       LEU  13   8.511  -5.736  -1.416
  113   2HB   LEU  13          2HB       LEU  13   7.808  -7.271  -0.945
  114    HG   LEU  13           HG       LEU  13   9.996  -5.740   0.450
  115   1HD1  LEU  13          1HD1      LEU  13   8.320  -4.978   1.682
  116   2HD1  LEU  13          2HD1      LEU  13   7.952  -6.632   2.174
  117   3HD1  LEU  13          3HD1      LEU  13   7.166  -5.940   0.755
  118   1HD2  LEU  13          1HD2      LEU  13  10.122  -7.602   2.033
  119   2HD2  LEU  13          2HD2      LEU  13  10.627  -8.088   0.415
  120   3HD2  LEU  13          3HD2      LEU  13   9.030  -8.539   1.014
  121    H    THR  14           H        THR  14  10.589  -9.636  -1.011
  122    HA   THR  14           HA       THR  14   8.714 -11.251  -2.605
  123    HB   THR  14           HB       THR  14  11.362 -12.070  -1.394
  124    HG1  THR  14           HG1      THR  14  10.666 -11.519  -4.086
  125   1HG2  THR  14          1HG2      THR  14  10.374 -13.675  -3.583
  126   2HG2  THR  14          2HG2      THR  14   9.293 -13.714  -2.189
  127   3HG2  THR  14          3HG2      THR  14  10.989 -14.165  -2.004
  128    H    VAL  15           H        VAL  15   6.979 -11.622  -1.351
  129    HA   VAL  15           HA       VAL  15   7.443 -12.579   1.397
  130    HB   VAL  15           HB       VAL  15   5.050 -11.953   1.805
  131   1HG1  VAL  15          1HG1      VAL  15   7.019 -10.524   2.406
  132   2HG1  VAL  15          2HG1      VAL  15   5.506  -9.647   2.182
  133   3HG1  VAL  15          3HG1      VAL  15   6.736  -9.622   0.918
  134   1HG2  VAL  15          1HG2      VAL  15   4.008 -10.360   0.235
  135   2HG2  VAL  15          2HG2      VAL  15   4.243 -11.957  -0.476
  136   3HG2  VAL  15          3HG2      VAL  15   5.335 -10.636  -0.893
  137    H    GLU  16           H        GLU  16   6.237 -14.357   2.161
  138    HA   GLU  16           HA       GLU  16   5.357 -16.165   0.024
  139   1HB   GLU  16          1HB       GLU  16   6.972 -16.530   2.319
  140   2HB   GLU  16          2HB       GLU  16   5.493 -17.441   2.591
  141   1HG   GLU  16          1HG       GLU  16   6.908 -17.701  -0.017
  142   2HG   GLU  16          2HG       GLU  16   7.534 -18.541   1.402
  143    H    LEU  17           H        LEU  17   3.239 -16.009  -0.342
  144    HA   LEU  17           HA       LEU  17   1.425 -16.318   1.936
  145   1HB   LEU  17          1HB       LEU  17   1.759 -13.901   0.546
  146   2HB   LEU  17          2HB       LEU  17   0.254 -14.580  -0.042
  147    HG   LEU  17           HG       LEU  17  -0.544 -14.759   2.304
  148   1HD1  LEU  17          1HD1      LEU  17   1.230 -14.870   3.731
  149   2HD1  LEU  17          2HD1      LEU  17   0.865 -13.149   3.853
  150   3HD1  LEU  17          3HD1      LEU  17   2.183 -13.700   2.818
  151   1HD2  LEU  17          1HD2      LEU  17  -1.393 -12.886   1.271
  152   2HD2  LEU  17          2HD2      LEU  17   0.195 -12.146   1.066
  153   3HD2  LEU  17          3HD2      LEU  17  -0.566 -12.176   2.657
  154    H    GLU  18           H        GLU  18  -0.451 -17.442   1.497
  155    HA   GLU  18           HA       GLU  18  -0.420 -18.964  -0.981
  156   1HB   GLU  18          1HB       GLU  18  -1.829 -19.250   1.649
  157   2HB   GLU  18          2HB       GLU  18  -2.378 -20.150   0.247
  158   1HG   GLU  18          1HG       GLU  18  -0.847 -21.679   0.638
  159   2HG   GLU  18          2HG       GLU  18   0.418 -20.471   0.440
  160    HA   PRO  19           HA       PRO  19  -3.612 -16.890  -3.170
  161   1HB   PRO  19          1HB       PRO  19  -4.973 -19.532  -3.378
  162   2HB   PRO  19          2HB       PRO  19  -4.524 -18.394  -4.653
  163   1HG   PRO  19          1HG       PRO  19  -3.118 -20.622  -4.267
  164   2HG   PRO  19          2HG       PRO  19  -2.313 -19.098  -4.685
  165   1HD   PRO  19          1HD       PRO  19  -2.494 -20.490  -2.049
  166   2HD   PRO  19          2HD       PRO  19  -1.152 -19.561  -2.746
  167    H    SER  20           H        SER  20  -4.660 -19.271  -0.768
  168    HA   SER  20           HA       SER  20  -7.304 -18.440  -0.467
  169   1HB   SER  20          1HB       SER  20  -7.142 -19.463   1.815
  170   2HB   SER  20          2HB       SER  20  -6.552 -20.510   0.526
  171    HG   SER  20           HG       SER  20  -4.511 -19.053   1.364
  172    H    ASP  21           H        ASP  21  -4.332 -17.166   0.897
  173    HA   ASP  21           HA       ASP  21  -5.337 -15.544   2.908
  174   1HB   ASP  21          1HB       ASP  21  -2.948 -15.302   1.100
  175   2HB   ASP  21          2HB       ASP  21  -3.315 -14.040   2.272
  176    H    THR  22           H        THR  22  -5.834 -13.296   2.981
  177    HA   THR  22           HA       THR  22  -7.026 -12.315   0.477
  178    HB   THR  22           HB       THR  22  -8.564 -11.035   1.827
  179    HG1  THR  22           HG1      THR  22  -8.361 -10.820   3.969
  180   1HG2  THR  22          1HG2      THR  22  -9.498 -13.133   1.607
  181   2HG2  THR  22          2HG2      THR  22  -9.513 -12.880   3.353
  182   3HG2  THR  22          3HG2      THR  22  -8.274 -13.898   2.618
  183    H    VAL  23           H        VAL  23  -7.042  -9.941   0.188
  184    HA   VAL  23           HA       VAL  23  -4.518  -8.851   0.093
  185    HB   VAL  23           HB       VAL  23  -7.113  -7.321   0.332
  186   1HG1  VAL  23          1HG1      VAL  23  -4.340  -6.488  -0.023
  187   2HG1  VAL  23          2HG1      VAL  23  -5.758  -5.546   0.439
  188   3HG1  VAL  23          3HG1      VAL  23  -5.427  -5.863  -1.264
  189   1HG2  VAL  23          1HG2      VAL  23  -7.440  -7.568  -1.922
  190   2HG2  VAL  23          2HG2      VAL  23  -6.692  -9.120  -1.544
  191   3HG2  VAL  23          3HG2      VAL  23  -5.727  -7.826  -2.254
  192    H    GLU  24           H        GLU  24  -6.794  -8.862   2.736
  193    HA   GLU  24           HA       GLU  24  -5.664  -6.816   4.300
  194   1HB   GLU  24          1HB       GLU  24  -7.903  -7.939   4.648
  195   2HB   GLU  24          2HB       GLU  24  -7.030  -9.294   5.350
  196   1HG   GLU  24          1HG       GLU  24  -6.197  -6.828   6.565
  197   2HG   GLU  24          2HG       GLU  24  -7.949  -7.001   6.647
  198    H    ASN  25           H        ASN  25  -5.139 -10.335   4.347
  199    HA   ASN  25           HA       ASN  25  -3.236 -10.382   6.397
  200   1HB   ASN  25          1HB       ASN  25  -3.339 -12.252   4.022
  201   2HB   ASN  25          2HB       ASN  25  -2.652 -12.587   5.608
  202   1HD2  ASN  25          1HD2      ASN  25  -3.957 -13.224   7.248
  203   2HD2  ASN  25          2HD2      ASN  25  -5.649 -13.523   7.070
  204    H    LEU  26           H        LEU  26  -2.740 -10.347   2.866
  205    HA   LEU  26           HA       LEU  26  -0.003 -10.309   2.756
  206   1HB   LEU  26          1HB       LEU  26  -1.265 -10.401   0.736
  207   2HB   LEU  26          2HB       LEU  26  -2.024  -8.855   1.063
  208    HG   LEU  26           HG       LEU  26  -0.050  -7.654   0.548
  209   1HD1  LEU  26          1HD1      LEU  26   2.043  -8.991  -0.111
  210   2HD1  LEU  26          2HD1      LEU  26   1.305 -10.315   0.790
  211   3HD1  LEU  26          3HD1      LEU  26   1.680  -8.796   1.604
  212   1HD2  LEU  26          1HD2      LEU  26  -1.315  -8.563  -1.381
  213   2HD2  LEU  26          2HD2      LEU  26  -0.197  -9.926  -1.428
  214   3HD2  LEU  26          3HD2      LEU  26   0.393  -8.291  -1.730
  215    H    LYS  27           H        LYS  27  -2.127  -7.466   3.036
  216    HA   LYS  27           HA       LYS  27  -0.170  -5.506   3.178
  217   1HB   LYS  27          1HB       LYS  27  -2.790  -5.525   4.686
  218   2HB   LYS  27          2HB       LYS  27  -1.838  -4.108   4.264
  219   1HG   LYS  27          1HG       LYS  27  -2.477  -5.690   1.930
  220   2HG   LYS  27          2HG       LYS  27  -3.927  -5.205   2.812
  221   1HD   LYS  27          1HD       LYS  27  -2.917  -2.860   2.841
  222   2HD   LYS  27          2HD       LYS  27  -1.788  -3.460   1.624
  223   1HE   LYS  27          1HE       LYS  27  -3.468  -3.794   0.051
  224   2HE   LYS  27          2HE       LYS  27  -4.740  -3.814   1.271
  225   1HZ   LYS  27          1HZ       LYS  27  -3.155  -1.401   0.589
  226   2HZ   LYS  27          2HZ       LYS  27  -4.534  -1.478   1.564
  227   3HZ   LYS  27          3HZ       LYS  27  -4.659  -1.762  -0.098
  228    H    ALA  28           H        ALA  28  -1.764  -7.196   5.883
  229    HA   ALA  28           HA       ALA  28  -0.560  -6.107   8.042
  230   1HB   ALA  28          1HB       ALA  28  -0.918  -8.128   9.219
  231   2HB   ALA  28          2HB       ALA  28  -0.780  -9.094   7.748
  232   3HB   ALA  28          3HB       ALA  28  -2.180  -8.048   7.990
  233    H    LYS  29           H        LYS  29   0.843  -8.756   6.111
  234    HA   LYS  29           HA       LYS  29   3.264  -8.973   7.466
  235   1HB   LYS  29          1HB       LYS  29   2.319  -9.645   4.725
  236   2HB   LYS  29          2HB       LYS  29   4.057  -9.619   4.993
  237   1HG   LYS  29          1HG       LYS  29   3.677 -11.785   5.503
  238   2HG   LYS  29          2HG       LYS  29   3.351 -11.093   7.094
  239   1HD   LYS  29          1HD       LYS  29   0.977 -11.089   6.652
  240   2HD   LYS  29          2HD       LYS  29   1.252 -11.645   5.000
  241   1HE   LYS  29          1HE       LYS  29   2.077 -13.752   5.773
  242   2HE   LYS  29          2HE       LYS  29   2.068 -13.199   7.447
  243   1HZ   LYS  29          1HZ       LYS  29  -0.159 -13.470   7.625
  244   2HZ   LYS  29          2HZ       LYS  29   0.118 -14.637   6.432
  245   3HZ   LYS  29          3HZ       LYS  29  -0.464 -13.109   5.999
  246    H    ILE  30           H        ILE  30   2.358  -6.889   4.750
  247    HA   ILE  30           HA       ILE  30   4.888  -5.729   4.331
  248    HB   ILE  30           HB       ILE  30   2.163  -4.530   3.818
  249   1HG1  ILE  30          1HG1      ILE  30   4.015  -6.122   2.028
  250   2HG1  ILE  30          2HG1      ILE  30   2.469  -6.669   2.671
  251   1HG2  ILE  30          1HG2      ILE  30   4.778  -3.421   3.581
  252   2HG2  ILE  30          2HG2      ILE  30   3.224  -2.690   3.180
  253   3HG2  ILE  30          3HG2      ILE  30   4.096  -3.627   1.967
  254   1HD1  ILE  30          1HD1      ILE  30   1.255  -5.260   1.281
  255   2HD1  ILE  30          2HD1      ILE  30   2.558  -5.857   0.253
  256   3HD1  ILE  30          3HD1      ILE  30   2.651  -4.236   0.942
  257    H    GLN  31           H        GLN  31   2.581  -5.310   6.820
  258    HA   GLN  31           HA       GLN  31   3.574  -2.686   7.597
  259   1HB   GLN  31          1HB       GLN  31   1.132  -3.376   7.751
  260   2HB   GLN  31          2HB       GLN  31   1.601  -4.408   9.097
  261   1HG   GLN  31          1HG       GLN  31   2.533  -2.347  10.201
  262   2HG   GLN  31          2HG       GLN  31   1.740  -1.413   8.932
  263   1HE2  GLN  31          1HE2      GLN  31   1.293  -1.459  11.829
  264   2HE2  GLN  31          2HE2      GLN  31  -0.379  -1.841  12.041
  265    H    ASP  32           H        ASP  32   4.070  -6.012   8.334
  266    HA   ASP  32           HA       ASP  32   5.355  -5.462  10.880
  267   1HB   ASP  32          1HB       ASP  32   4.153  -7.734   9.662
  268   2HB   ASP  32          2HB       ASP  32   5.820  -8.131  10.058
  269    H    LYS  33           H        LYS  33   6.220  -5.404   7.655
  270    HA   LYS  33           HA       LYS  33   9.054  -5.867   8.319
  271   1HB   LYS  33          1HB       LYS  33   7.533  -6.396   5.773
  272   2HB   LYS  33          2HB       LYS  33   9.288  -6.282   5.804
  273   1HG   LYS  33          1HG       LYS  33   7.756  -8.190   7.547
  274   2HG   LYS  33          2HG       LYS  33   8.303  -8.603   5.920
  275   1HD   LYS  33          1HD       LYS  33  10.524  -7.485   7.217
  276   2HD   LYS  33          2HD       LYS  33   9.779  -8.572   8.390
  277   1HE   LYS  33          1HE       LYS  33   9.866 -10.399   6.813
  278   2HE   LYS  33          2HE       LYS  33  10.487  -9.327   5.559
  279   1HZ   LYS  33          1HZ       LYS  33  12.331  -8.925   7.370
  280   2HZ   LYS  33          2HZ       LYS  33  12.419 -10.230   6.297
  281   3HZ   LYS  33          3HZ       LYS  33  11.858 -10.469   7.876
  282    H    GLU  34           H        GLU  34   6.955  -4.081   6.054
  283    HA   GLU  34           HA       GLU  34   8.990  -1.986   5.872
  284   1HB   GLU  34          1HB       GLU  34   6.567  -2.682   4.238
  285   2HB   GLU  34          2HB       GLU  34   7.314  -1.095   4.106
  286   1HG   GLU  34          1HG       GLU  34   7.986  -2.994   2.472
  287   2HG   GLU  34          2HG       GLU  34   9.218  -1.918   3.130
  288    H    GLY  35           H        GLY  35   6.760  -2.622   8.027
  289   1HA   GLY  35          1HA       GLY  35   5.380  -1.408   9.412
  290   2HA   GLY  35          2HA       GLY  35   6.556  -0.130   9.155
  291    H    ILE  36           H        ILE  36   4.583  -1.472   6.589
  292    HA   ILE  36           HA       ILE  36   3.347   1.166   6.251
  293    HB   ILE  36           HB       ILE  36   3.090  -1.062   4.265
  294   1HG1  ILE  36          1HG1      ILE  36   5.469   0.766   4.638
  295   2HG1  ILE  36          2HG1      ILE  36   5.462  -0.995   4.692
  296   1HG2  ILE  36          1HG2      ILE  36   2.469   0.558   2.798
  297   2HG2  ILE  36          2HG2      ILE  36   3.506   1.780   3.536
  298   3HG2  ILE  36          3HG2      ILE  36   1.973   1.351   4.293
  299   1HD1  ILE  36          1HD1      ILE  36   6.330  -0.549   2.607
  300   2HD1  ILE  36          2HD1      ILE  36   5.250   0.819   2.335
  301   3HD1  ILE  36          3HD1      ILE  36   4.624  -0.828   2.257
  302    HA   PRO  37           HA       PRO  37  -0.426  -0.683   7.775
  303   1HB   PRO  37          1HB       PRO  37  -1.875   1.567   7.900
  304   2HB   PRO  37          2HB       PRO  37  -0.560   1.251   9.039
  305   1HG   PRO  37          1HG       PRO  37  -0.594   3.000   6.614
  306   2HG   PRO  37          2HG       PRO  37   0.148   3.293   8.196
  307   1HD   PRO  37          1HD       PRO  37   1.509   2.414   5.962
  308   2HD   PRO  37          2HD       PRO  37   2.055   2.172   7.633
  309    HA   PRO  38           HA       PRO  38  -2.751  -1.463   4.098
  310   1HB   PRO  38          1HB       PRO  38  -5.220  -1.887   5.241
  311   2HB   PRO  38          2HB       PRO  38  -3.931  -3.092   5.175
  312   1HG   PRO  38          1HG       PRO  38  -4.724  -1.282   7.420
  313   2HG   PRO  38          2HG       PRO  38  -4.234  -2.986   7.471
  314   1HD   PRO  38          1HD       PRO  38  -2.547  -1.007   8.151
  315   2HD   PRO  38          2HD       PRO  38  -1.982  -2.473   7.325
  316    H    ASP  39           H        ASP  39  -3.665   1.015   6.358
  317    HA   ASP  39           HA       ASP  39  -5.761   2.161   4.806
  318   1HB   ASP  39          1HB       ASP  39  -4.104   3.691   6.797
  319   2HB   ASP  39          2HB       ASP  39  -5.810   3.885   6.403
  320    H    GLN  40           H        GLN  40  -2.308   2.393   4.768
  321    HA   GLN  40           HA       GLN  40  -2.481   4.557   2.773
  322   1HB   GLN  40          1HB       GLN  40  -0.011   3.867   4.352
  323   2HB   GLN  40          2HB       GLN  40  -0.339   5.328   3.430
  324   1HG   GLN  40          1HG       GLN  40  -2.173   5.822   5.077
  325   2HG   GLN  40          2HG       GLN  40  -1.548   4.492   6.049
  326   1HE2  GLN  40          1HE2      GLN  40  -0.627   7.547   4.538
  327   2HE2  GLN  40          2HE2      GLN  40   0.560   7.979   5.716
  328    H    GLN  41           H        GLN  41  -2.299   1.366   2.874
  329    HA   GLN  41           HA       GLN  41  -0.091   1.023   0.999
  330   1HB   GLN  41          1HB       GLN  41  -1.677  -0.743   2.752
  331   2HB   GLN  41          2HB       GLN  41  -1.199  -1.443   1.212
  332   1HG   GLN  41          1HG       GLN  41   1.159  -0.688   1.781
  333   2HG   GLN  41          2HG       GLN  41   0.553  -0.407   3.413
  334   1HE2  GLN  41          1HE2      GLN  41   0.107  -2.121   4.727
  335   2HE2  GLN  41          2HE2      GLN  41   0.495  -3.756   4.325
  336    H    ARG  42           H        ARG  42  -0.378   1.024  -1.126
  337    HA   ARG  42           HA       ARG  42  -3.080   0.489  -2.175
  338   1HB   ARG  42          1HB       ARG  42  -1.679   2.851  -2.395
  339   2HB   ARG  42          2HB       ARG  42  -1.313   2.049  -3.916
  340   1HG   ARG  42          1HG       ARG  42  -3.601   1.926  -4.509
  341   2HG   ARG  42          2HG       ARG  42  -4.114   2.400  -2.888
  342   1HD   ARG  42          1HD       ARG  42  -3.745   4.595  -3.267
  343   2HD   ARG  42          2HD       ARG  42  -2.326   4.290  -4.267
  344    HE   ARG  42           HE       ARG  42  -3.665   4.390  -6.112
  345   1HH1  ARG  42          1HH1      ARG  42  -7.148   4.011  -4.175
  346   2HH1  ARG  42          2HH1      ARG  42  -5.657   3.848  -3.309
  347   1HH2  ARG  42          1HH2      ARG  42  -5.622   4.605  -7.265
  348   2HH2  ARG  42          2HH2      ARG  42  -7.127   4.441  -6.426
  349    H    LEU  43           H        LEU  43  -2.731  -1.687  -2.566
  350    HA   LEU  43           HA       LEU  43  -0.461  -2.495  -4.194
  351   1HB   LEU  43          1HB       LEU  43  -2.652  -3.986  -2.777
  352   2HB   LEU  43          2HB       LEU  43  -1.599  -4.789  -3.927
  353    HG   LEU  43           HG       LEU  43  -0.350  -3.254  -1.696
  354   1HD1  LEU  43          1HD1      LEU  43  -0.997  -4.609  -0.050
  355   2HD1  LEU  43          2HD1      LEU  43  -0.808  -6.050  -1.051
  356   3HD1  LEU  43          3HD1      LEU  43  -2.300  -5.112  -1.128
  357   1HD2  LEU  43          1HD2      LEU  43   0.637  -4.724  -3.759
  358   2HD2  LEU  43          2HD2      LEU  43   0.596  -5.920  -2.463
  359   3HD2  LEU  43          3HD2      LEU  43   1.490  -4.415  -2.247
  360    H    ILE  44           H        ILE  44  -0.531  -3.008  -6.302
  361    HA   ILE  44           HA       ILE  44  -3.144  -3.243  -7.619
  362    HB   ILE  44           HB       ILE  44  -0.896  -1.439  -8.513
  363   1HG1  ILE  44          1HG1      ILE  44  -3.406  -0.154  -8.574
  364   2HG1  ILE  44          2HG1      ILE  44  -3.342  -1.031  -7.047
  365   1HG2  ILE  44          1HG2      ILE  44  -2.890  -1.011 -10.297
  366   2HG2  ILE  44          2HG2      ILE  44  -3.044  -2.748 -10.027
  367   3HG2  ILE  44          3HG2      ILE  44  -1.511  -2.075 -10.579
  368   1HD1  ILE  44          1HD1      ILE  44  -0.929   0.501  -7.735
  369   2HD1  ILE  44          2HD1      ILE  44  -1.766   0.317  -6.192
  370   3HD1  ILE  44          3HD1      ILE  44  -2.379   1.447  -7.399
  371    H    PHE  45           H        PHE  45  -3.199  -5.112  -8.668
  372    HA   PHE  45           HA       PHE  45  -0.679  -6.270  -9.640
  373   1HB   PHE  45          1HB       PHE  45  -1.785  -7.747  -8.116
  374   2HB   PHE  45          2HB       PHE  45  -3.329  -7.533  -8.932
  375    HD1  PHE  45           HD1      PHE  45  -4.008  -9.471  -9.947
  376    HD2  PHE  45           HD2      PHE  45   0.116  -8.399 -10.091
  377    HE1  PHE  45           HE1      PHE  45  -3.546 -11.451 -11.343
  378    HE2  PHE  45           HE2      PHE  45   0.586 -10.376 -11.488
  379    HZ   PHE  45           HZ       PHE  45  -1.247 -11.904 -12.116
  380    H    ALA  46           H        ALA  46  -0.291  -6.101 -11.738
  381    HA   ALA  46           HA       ALA  46  -0.586  -5.764 -13.974
  382   1HB   ALA  46          1HB       ALA  46  -2.939  -7.589 -13.495
  383   2HB   ALA  46          2HB       ALA  46  -1.280  -8.097 -13.811
  384   3HB   ALA  46          3HB       ALA  46  -2.196  -7.251 -15.058
  385    H    GLY  47           H        GLY  47  -1.549  -3.647 -12.520
  386   1HA   GLY  47          1HA       GLY  47  -2.791  -1.742 -12.858
  387   2HA   GLY  47          2HA       GLY  47  -3.342  -2.448 -14.370
  388    H    LYS  48           H        LYS  48  -3.833  -4.276 -11.496
  389    HA   LYS  48           HA       LYS  48  -6.661  -3.447 -11.444
  390   1HB   LYS  48          1HB       LYS  48  -5.760  -5.895 -12.285
  391   2HB   LYS  48          2HB       LYS  48  -6.101  -6.201 -10.587
  392   1HG   LYS  48          1HG       LYS  48  -8.359  -5.772 -10.827
  393   2HG   LYS  48          2HG       LYS  48  -8.126  -4.826 -12.299
  394   1HD   LYS  48          1HD       LYS  48  -8.498  -6.636 -13.535
  395   2HD   LYS  48          2HD       LYS  48  -7.149  -7.462 -12.754
  396   1HE   LYS  48          1HE       LYS  48  -8.503  -8.529 -11.237
  397   2HE   LYS  48          2HE       LYS  48  -9.748  -7.284 -11.313
  398   1HZ   LYS  48          1HZ       LYS  48  -9.167  -9.184 -13.518
  399   2HZ   LYS  48          2HZ       LYS  48 -10.461  -8.099 -13.424
  400   3HZ   LYS  48          3HZ       LYS  48 -10.384  -9.416 -12.366
  401    H    GLN  49           H        GLN  49  -6.587  -2.147  -9.664
  402    HA   GLN  49           HA       GLN  49  -5.107  -2.560  -7.343
  403   1HB   GLN  49          1HB       GLN  49  -6.662  -0.558  -8.212
  404   2HB   GLN  49          2HB       GLN  49  -7.779  -1.291  -7.070
  405   1HG   GLN  49          1HG       GLN  49  -5.401  -1.154  -5.672
  406   2HG   GLN  49          2HG       GLN  49  -5.443   0.348  -6.593
  407   1HE2  GLN  49          1HE2      GLN  49  -6.261  -1.010  -3.741
  408   2HE2  GLN  49          2HE2      GLN  49  -7.557   0.033  -3.272
  409    H    LEU  50           H        LEU  50  -5.324  -3.838  -5.612
  410    HA   LEU  50           HA       LEU  50  -7.359  -5.869  -5.618
  411   1HB   LEU  50          1HB       LEU  50  -5.368  -5.321  -3.425
  412   2HB   LEU  50          2HB       LEU  50  -6.186  -6.831  -3.783
  413    HG   LEU  50           HG       LEU  50  -3.996  -5.522  -5.388
  414   1HD1  LEU  50          1HD1      LEU  50  -2.962  -6.672  -3.674
  415   2HD1  LEU  50          2HD1      LEU  50  -3.029  -7.890  -4.948
  416   3HD1  LEU  50          3HD1      LEU  50  -4.199  -7.928  -3.630
  417   1HD2  LEU  50          1HD2      LEU  50  -6.105  -7.266  -6.263
  418   2HD2  LEU  50          2HD2      LEU  50  -4.542  -8.072  -6.406
  419   3HD2  LEU  50          3HD2      LEU  50  -4.809  -6.518  -7.198
  420    H    GLU  51           H        GLU  51  -8.744  -6.337  -3.783
  421    HA   GLU  51           HA       GLU  51  -9.497  -3.932  -2.259
  422   1HB   GLU  51          1HB       GLU  51 -11.299  -5.933  -3.623
  423   2HB   GLU  51          2HB       GLU  51 -11.871  -4.799  -2.407
  424   1HG   GLU  51          1HG       GLU  51 -10.926  -2.968  -3.891
  425   2HG   GLU  51          2HG       GLU  51 -10.778  -4.208  -5.136
  426    H    ASP  52           H        ASP  52  -9.359  -4.219  -0.142
  427    HA   ASP  52           HA       ASP  52  -8.572  -6.493   1.158
  428   1HB   ASP  52          1HB       ASP  52  -8.651  -4.214   2.158
  429   2HB   ASP  52          2HB       ASP  52 -10.396  -4.381   2.326
  430    H    GLY  53           H        GLY  53  -9.586  -8.150   2.304
  431   1HA   GLY  53          1HA       GLY  53 -11.423  -9.413   3.063
  432   2HA   GLY  53          2HA       GLY  53 -12.489  -8.400   2.101
  433    H    ARG  54           H        ARG  54 -10.471  -8.817  -0.182
  434    HA   ARG  54           HA       ARG  54 -11.764 -11.216  -1.200
  435   1HB   ARG  54          1HB       ARG  54 -11.073  -8.817  -2.366
  436   2HB   ARG  54          2HB       ARG  54  -9.815  -9.902  -2.945
  437   1HG   ARG  54          1HG       ARG  54 -11.511  -9.977  -4.562
  438   2HG   ARG  54          2HG       ARG  54 -11.680 -11.470  -3.636
  439   1HD   ARG  54          1HD       ARG  54 -13.405 -10.243  -2.242
  440   2HD   ARG  54          2HD       ARG  54 -13.361  -8.982  -3.473
  441    HE   ARG  54           HE       ARG  54 -13.819 -11.226  -4.910
  442   1HH1  ARG  54          1HH1      ARG  54 -16.908 -10.471  -2.479
  443   2HH1  ARG  54          2HH1      ARG  54 -15.341  -9.834  -2.105
  444   1HH2  ARG  54          1HH2      ARG  54 -15.878 -12.070  -5.413
  445   2HH2  ARG  54          2HH2      ARG  54 -17.213 -11.744  -4.359
  446    H    THR  55           H        THR  55 -10.592 -12.951  -2.164
  447    HA   THR  55           HA       THR  55  -8.112 -13.524  -0.752
  448    HB   THR  55           HB       THR  55  -8.414 -15.815  -1.697
  449    HG1  THR  55           HG1      THR  55  -9.836 -14.752  -3.464
  450   1HG2  THR  55          1HG2      THR  55 -10.903 -15.997  -0.643
  451   2HG2  THR  55          2HG2      THR  55 -10.314 -14.510   0.100
  452   3HG2  THR  55          3HG2      THR  55  -9.408 -16.012   0.291
  453    H    LEU  56           H        LEU  56  -6.146 -13.567  -1.660
  454    HA   LEU  56           HA       LEU  56  -5.497 -12.298  -3.988
  455   1HB   LEU  56          1HB       LEU  56  -4.062 -14.578  -2.631
  456   2HB   LEU  56          2HB       LEU  56  -3.366 -13.639  -3.937
  457    HG   LEU  56           HG       LEU  56  -4.306 -12.357  -1.383
  458   1HD1  LEU  56          1HD1      LEU  56  -1.696 -13.689  -2.005
  459   2HD1  LEU  56          2HD1      LEU  56  -2.701 -13.831  -0.563
  460   3HD1  LEU  56          3HD1      LEU  56  -1.793 -12.349  -0.863
  461   1HD2  LEU  56          1HD2      LEU  56  -3.181 -11.440  -3.867
  462   2HD2  LEU  56          2HD2      LEU  56  -2.129 -11.021  -2.515
  463   3HD2  LEU  56          3HD2      LEU  56  -3.816 -10.508  -2.511
  464    H    SER  57           H        SER  57  -6.597 -15.579  -3.585
  465    HA   SER  57           HA       SER  57  -5.839 -16.534  -6.150
  466   1HB   SER  57          1HB       SER  57  -8.090 -17.993  -5.300
  467   2HB   SER  57          2HB       SER  57  -6.395 -18.440  -5.110
  468    HG   SER  57           HG       SER  57  -7.943 -16.904  -3.291
  469    H    ASP  58           H        ASP  58  -8.372 -14.508  -5.051
  470    HA   ASP  58           HA       ASP  58 -10.274 -15.076  -7.093
  471   1HB   ASP  58          1HB       ASP  58  -9.906 -12.865  -5.101
  472   2HB   ASP  58          2HB       ASP  58 -11.084 -12.685  -6.398
  473    H    TYR  59           H        TYR  59  -7.345 -13.319  -7.016
  474    HA   TYR  59           HA       TYR  59  -8.044 -11.819  -9.438
  475   1HB   TYR  59          1HB       TYR  59  -5.700 -11.577  -7.545
  476   2HB   TYR  59          2HB       TYR  59  -5.867 -10.640  -9.026
  477    HD1  TYR  59           HD1      TYR  59  -6.315 -10.523  -5.593
  478    HD2  TYR  59           HD2      TYR  59  -8.302  -9.455  -9.209
  479    HE1  TYR  59           HE1      TYR  59  -7.629  -8.838  -4.366
  480    HE2  TYR  59           HE2      TYR  59  -9.621  -7.767  -7.994
  481    HH   TYR  59           HH       TYR  59  -9.719  -6.567  -6.029
  482    H    ASN  60           H        ASN  60  -7.605 -14.696  -9.448
  483    HA   ASN  60           HA       ASN  60  -6.289 -16.330 -10.408
  484   1HB   ASN  60          1HB       ASN  60  -5.859 -15.796 -12.831
  485   2HB   ASN  60          2HB       ASN  60  -7.520 -15.541 -12.306
  486   1HD2  ASN  60          1HD2      ASN  60  -4.471 -13.914 -12.963
  487   2HD2  ASN  60          2HD2      ASN  60  -5.163 -12.383 -13.363
  488    H    LEU  61           H        LEU  61  -4.751 -14.567  -8.721
  489    HA   LEU  61           HA       LEU  61  -2.357 -13.736  -9.953
  490   1HB   LEU  61          1HB       LEU  61  -3.352 -14.094  -7.217
  491   2HB   LEU  61          2HB       LEU  61  -1.620 -14.314  -7.379
  492    HG   LEU  61           HG       LEU  61  -2.898 -11.883  -8.562
  493   1HD1  LEU  61          1HD1      LEU  61  -2.997 -12.577  -5.782
  494   2HD1  LEU  61          2HD1      LEU  61  -3.608 -11.137  -6.598
  495   3HD1  LEU  61          3HD1      LEU  61  -1.942 -11.183  -6.020
  496   1HD2  LEU  61          1HD2      LEU  61  -0.330 -12.836  -8.473
  497   2HD2  LEU  61          2HD2      LEU  61  -0.362 -11.685  -7.137
  498   3HD2  LEU  61          3HD2      LEU  61  -0.795 -11.160  -8.764
  499    H    GLN  62           H        GLN  62  -0.533 -14.782 -10.489
  500    HA   GLN  62           HA       GLN  62  -0.494 -17.686 -10.121
  501   1HB   GLN  62          1HB       GLN  62   0.797 -15.805 -12.060
  502   2HB   GLN  62          2HB       GLN  62   1.511 -17.388 -11.788
  503   1HG   GLN  62          1HG       GLN  62  -0.543 -18.468 -12.464
  504   2HG   GLN  62          2HG       GLN  62  -1.332 -16.903 -12.650
  505   1HE2  GLN  62          1HE2      GLN  62  -1.670 -18.024 -14.810
  506   2HE2  GLN  62          2HE2      GLN  62  -0.494 -17.695 -16.033
  507    H    LYS  63           H        LYS  63   2.089 -18.352 -10.264
  508    HA   LYS  63           HA       LYS  63   3.054 -17.709  -7.654
  509   1HB   LYS  63          1HB       LYS  63   3.569 -19.693  -9.660
  510   2HB   LYS  63          2HB       LYS  63   5.095 -18.995  -9.135
  511   1HG   LYS  63          1HG       LYS  63   4.997 -19.981  -7.132
  512   2HG   LYS  63          2HG       LYS  63   3.272 -19.653  -6.947
  513   1HD   LYS  63          1HD       LYS  63   2.815 -21.769  -7.443
  514   2HD   LYS  63          2HD       LYS  63   3.577 -21.563  -9.021
  515   1HE   LYS  63          1HE       LYS  63   5.547 -21.844  -6.925
  516   2HE   LYS  63          2HE       LYS  63   4.431 -23.208  -6.942
  517   1HZ   LYS  63          1HZ       LYS  63   5.512 -22.323  -9.508
  518   2HZ   LYS  63          2HZ       LYS  63   5.144 -23.884  -8.970
  519   3HZ   LYS  63          3HZ       LYS  63   6.569 -23.130  -8.461
  520    H    GLU  64           H        GLU  64   4.816 -16.504  -7.048
  521    HA   GLU  64           HA       GLU  64   6.137 -14.638  -7.132
  522   1HB   GLU  64          1HB       GLU  64   7.186 -15.794  -9.705
  523   2HB   GLU  64          2HB       GLU  64   8.063 -14.888  -8.480
  524   1HG   GLU  64          1HG       GLU  64   7.674 -16.806  -6.917
  525   2HG   GLU  64          2HG       GLU  64   7.041 -17.708  -8.295
  526    H    SER  65           H        SER  65   3.761 -13.840  -7.945
  527    HA   SER  65           HA       SER  65   3.759 -12.720 -10.586
  528   1HB   SER  65          1HB       SER  65   1.933 -12.443  -8.203
  529   2HB   SER  65          2HB       SER  65   1.696 -11.492  -9.669
  530    HG   SER  65           HG       SER  65   2.017 -13.940 -10.491
  531    H    THR  66           H        THR  66   3.504 -10.390 -10.995
  532    HA   THR  66           HA       THR  66   5.279  -8.838  -9.238
  533    HB   THR  66           HB       THR  66   4.599  -8.267 -12.125
  534    HG1  THR  66           HG1      THR  66   6.881  -9.568 -11.058
  535   1HG2  THR  66          1HG2      THR  66   5.797  -6.623 -10.287
  536   2HG2  THR  66          2HG2      THR  66   5.946  -6.505 -12.041
  537   3HG2  THR  66          3HG2      THR  66   7.166  -7.373 -11.107
  538    H    ILE  67           H        ILE  67   4.167  -7.590  -7.890
  539    HA   ILE  67           HA       ILE  67   1.759  -6.223  -8.905
  540    HB   ILE  67           HB       ILE  67   2.462  -7.072  -6.098
  541   1HG1  ILE  67          1HG1      ILE  67  -0.024  -8.001  -6.557
  542   2HG1  ILE  67          2HG1      ILE  67   0.595  -8.007  -8.206
  543   1HG2  ILE  67          1HG2      ILE  67   1.499  -4.828  -6.059
  544   2HG2  ILE  67          2HG2      ILE  67   0.385  -6.015  -5.380
  545   3HG2  ILE  67          3HG2      ILE  67   0.128  -5.397  -7.011
  546   1HD1  ILE  67          1HD1      ILE  67   2.534  -9.156  -6.448
  547   2HD1  ILE  67          2HD1      ILE  67   1.701  -9.879  -7.824
  548   3HD1  ILE  67          3HD1      ILE  67   0.971  -9.939  -6.219
  549    H    HIS  68           H        HIS  68   1.535  -4.035  -8.604
  550    HA   HIS  68           HA       HIS  68   3.981  -2.617  -7.831
  551   1HB   HIS  68          1HB       HIS  68   1.579  -1.392  -9.175
  552   2HB   HIS  68          2HB       HIS  68   3.235  -0.796  -9.146
  553    HD1  HIS  68           HD1      HIS  68   2.034  -0.988 -11.846
  554    HD2  HIS  68           HD2      HIS  68   3.929  -4.223 -10.055
  555    HE1  HIS  68           HE1      HIS  68   2.707  -2.505 -13.737
  556    HE2  HIS  68           HE2      HIS  68   3.932  -4.410 -12.635
  557    H    LEU  69           H        LEU  69   4.022  -2.092  -5.742
  558    HA   LEU  69           HA       LEU  69   1.542  -1.325  -4.393
  559   1HB   LEU  69          1HB       LEU  69   2.796  -2.947  -3.190
  560   2HB   LEU  69          2HB       LEU  69   4.286  -2.046  -3.390
  561    HG   LEU  69           HG       LEU  69   3.130  -0.216  -1.982
  562   1HD1  LEU  69          1HD1      LEU  69   1.133  -0.597  -1.081
  563   2HD1  LEU  69          2HD1      LEU  69   1.604  -2.208  -0.541
  564   3HD1  LEU  69          3HD1      LEU  69   0.996  -1.971  -2.179
  565   1HD2  LEU  69          1HD2      LEU  69   3.568  -1.778   0.127
  566   2HD2  LEU  69          2HD2      LEU  69   4.876  -1.131  -0.862
  567   3HD2  LEU  69          3HD2      LEU  69   4.316  -2.784  -1.113
  568    H    VAL  70           H        VAL  70   1.015   0.732  -4.297
  569    HA   VAL  70           HA       VAL  70   3.176   2.731  -4.177
  570    HB   VAL  70           HB       VAL  70   0.592   3.695  -5.179
  571   1HG1  VAL  70          1HG1      VAL  70   2.025   5.320  -5.682
  572   2HG1  VAL  70          2HG1      VAL  70   2.633   4.282  -6.972
  573   3HG1  VAL  70          3HG1      VAL  70   3.414   4.273  -5.392
  574   1HG2  VAL  70          1HG2      VAL  70   2.217   1.782  -6.852
  575   2HG2  VAL  70          2HG2      VAL  70   0.890   2.785  -7.440
  576   3HG2  VAL  70          3HG2      VAL  70   0.579   1.514  -6.257
  577    H    LEU  71           H        LEU  71   2.826   4.566  -2.901
  578    HA   LEU  71           HA       LEU  71   1.463   4.115  -0.478
  579   1HB   LEU  71          1HB       LEU  71   3.206   6.102  -1.591
  580   2HB   LEU  71          2HB       LEU  71   1.878   6.892  -0.766
  581    HG   LEU  71           HG       LEU  71   2.903   4.774   0.874
  582   1HD1  LEU  71          1HD1      LEU  71   4.983   5.008  -0.316
  583   2HD1  LEU  71          2HD1      LEU  71   5.144   5.719   1.290
  584   3HD1  LEU  71          3HD1      LEU  71   4.937   6.759  -0.119
  585   1HD2  LEU  71          1HD2      LEU  71   2.822   6.375   2.525
  586   2HD2  LEU  71          2HD2      LEU  71   1.652   7.009   1.367
  587   3HD2  LEU  71          3HD2      LEU  71   3.283   7.679   1.430
  588    H    ARG  72           H        ARG  72  -0.241   5.494   0.447
  589    HA   ARG  72           HA       ARG  72  -2.297   6.063  -1.571
  590   1HB   ARG  72          1HB       ARG  72  -2.363   4.669   0.892
  591   2HB   ARG  72          2HB       ARG  72  -3.318   6.129   1.108
  592   1HG   ARG  72          1HG       ARG  72  -4.453   5.463  -1.099
  593   2HG   ARG  72          2HG       ARG  72  -3.737   3.875  -0.815
  594   1HD   ARG  72          1HD       ARG  72  -5.185   3.390   0.826
  595   2HD   ARG  72          2HD       ARG  72  -5.077   5.006   1.525
  596    HE   ARG  72           HE       ARG  72  -6.551   5.421  -0.689
  597   1HH1  ARG  72          1HH1      ARG  72  -8.518   2.979   1.798
  598   2HH1  ARG  72          2HH1      ARG  72  -6.794   3.111   1.904
  599   1HH2  ARG  72          1HH2      ARG  72  -8.820   5.257  -0.837
  600   2HH2  ARG  72          2HH2      ARG  72  -9.670   4.199   0.240
  601    H    LEU  73           H        LEU  73  -3.034   8.071  -1.885
  602    HA   LEU  73           HA       LEU  73  -2.010  10.186  -0.122
  603   1HB   LEU  73          1HB       LEU  73  -2.514   9.977  -3.011
  604   2HB   LEU  73          2HB       LEU  73  -3.035  11.487  -2.291
  605    HG   LEU  73           HG       LEU  73  -0.856  11.911  -3.038
  606   1HD1  LEU  73          1HD1      LEU  73   0.126  11.214  -0.388
  607   2HD1  LEU  73          2HD1      LEU  73  -1.434  12.036  -0.358
  608   3HD1  LEU  73          3HD1      LEU  73  -0.053  12.792  -1.153
  609   1HD2  LEU  73          1HD2      LEU  73   0.894  10.105  -1.910
  610   2HD2  LEU  73          2HD2      LEU  73   0.373  10.137  -3.594
  611   3HD2  LEU  73          3HD2      LEU  73  -0.456   9.099  -2.435
  612    H    ARG  74           H        ARG  74  -3.469  12.136   0.060
  613    HA   ARG  74           HA       ARG  74  -5.801  11.509   1.394
  614   1HB   ARG  74          1HB       ARG  74  -4.388  13.827   0.828
  615   2HB   ARG  74          2HB       ARG  74  -5.957  14.108   0.085
  616   1HG   ARG  74          1HG       ARG  74  -6.819  14.601   2.059
  617   2HG   ARG  74          2HG       ARG  74  -6.383  13.003   2.667
  618   1HD   ARG  74          1HD       ARG  74  -4.624  13.789   3.809
  619   2HD   ARG  74          2HD       ARG  74  -4.128  14.851   2.492
  620    HE   ARG  74           HE       ARG  74  -6.445  15.866   3.754
  621   1HH1  ARG  74          1HH1      ARG  74  -2.877  16.853   5.274
  622   2HH1  ARG  74          2HH1      ARG  74  -3.018  15.479   4.229
  623   1HH2  ARG  74          1HH2      ARG  74  -6.272  17.676   5.128
  624   2HH2  ARG  74          2HH2      ARG  74  -4.727  18.103   5.786
  625    H    GLY  75           H        GLY  75  -7.801  10.952   0.807
  626   1HA   GLY  75          1HA       GLY  75  -9.731  10.832  -0.475
  627   2HA   GLY  75          2HA       GLY  75  -8.948  11.829  -1.691
  628    H    GLY  76           H        GLY  76  -8.424  10.872  -3.546
  629   1HA   GLY  76          1HA       GLY  76  -7.576   9.195  -4.939
  630   2HA   GLY  76          2HA       GLY  76  -7.627   8.076  -3.584
  Start of MODEL    8
    1   1H    MET   1          1H        MET   1   2.993 -19.129  -1.201
    2   2H    MET   1          2H        MET   1   3.456 -20.741  -1.563
    3   3H    MET   1          3H        MET   1   1.928 -20.149  -2.074
    4    HA   MET   1           HA       MET   1   4.138 -20.246  -3.559
    5   1HB   MET   1          1HB       MET   1   2.834 -18.713  -5.047
    6   2HB   MET   1          2HB       MET   1   1.896 -20.055  -4.405
    7   1HG   MET   1          1HG       MET   1   0.551 -18.718  -3.187
    8   2HG   MET   1          2HG       MET   1   1.834 -17.560  -2.839
    9   1HE   MET   1          1HE       MET   1  -1.330 -17.189  -3.690
   10   2HE   MET   1          2HE       MET   1  -1.272 -15.771  -4.737
   11   3HE   MET   1          3HE       MET   1  -0.386 -15.778  -3.212
   12    H    GLN   2           H        GLN   2   5.123 -18.367  -4.803
   13    HA   GLN   2           HA       GLN   2   6.099 -16.386  -2.862
   14   1HB   GLN   2          1HB       GLN   2   7.442 -18.084  -4.688
   15   2HB   GLN   2          2HB       GLN   2   7.652 -16.438  -5.273
   16   1HG   GLN   2          1HG       GLN   2   9.460 -17.179  -3.777
   17   2HG   GLN   2          2HG       GLN   2   8.607 -15.756  -3.181
   18   1HE2  GLN   2          1HE2      GLN   2   9.526 -16.332  -1.119
   19   2HE2  GLN   2          2HE2      GLN   2   8.751 -17.527  -0.142
   20    H    LEU   3           H        LEU   3   5.866 -14.249  -3.217
   21    HA   LEU   3           HA       LEU   3   4.887 -13.363  -5.840
   22   1HB   LEU   3          1HB       LEU   3   3.740 -12.456  -3.199
   23   2HB   LEU   3          2HB       LEU   3   3.240 -11.916  -4.790
   24    HG   LEU   3           HG       LEU   3   3.044 -14.817  -4.074
   25   1HD1  LEU   3          1HD1      LEU   3   1.809 -14.097  -2.293
   26   2HD1  LEU   3          2HD1      LEU   3   0.569 -14.092  -3.547
   27   3HD1  LEU   3          3HD1      LEU   3   1.353 -12.585  -3.077
   28   1HD2  LEU   3          1HD2      LEU   3   0.902 -14.230  -5.575
   29   2HD2  LEU   3          2HD2      LEU   3   2.463 -14.686  -6.255
   30   3HD2  LEU   3          3HD2      LEU   3   2.012 -12.986  -6.147
   31    H    PHE   4           H        PHE   4   5.627 -11.397  -6.514
   32    HA   PHE   4           HA       PHE   4   7.618 -10.112  -4.774
   33   1HB   PHE   4          1HB       PHE   4   7.457  -9.551  -7.705
   34   2HB   PHE   4          2HB       PHE   4   8.861  -9.557  -6.644
   35    HD1  PHE   4           HD1      PHE   4   6.914 -11.420  -8.996
   36    HD2  PHE   4           HD2      PHE   4   9.733 -11.789  -5.818
   37    HE1  PHE   4           HE1      PHE   4   7.475 -13.694  -9.765
   38    HE2  PHE   4           HE2      PHE   4  10.300 -14.063  -6.581
   39    HZ   PHE   4           HZ       PHE   4   9.172 -15.018  -8.557
   40    H    VAL   5           H        VAL   5   6.962  -8.311  -3.823
   41    HA   VAL   5           HA       VAL   5   4.964  -6.632  -5.188
   42    HB   VAL   5           HB       VAL   5   5.612  -6.414  -2.265
   43   1HG1  VAL   5          1HG1      VAL   5   2.950  -5.981  -3.556
   44   2HG1  VAL   5          2HG1      VAL   5   4.203  -4.744  -3.664
   45   3HG1  VAL   5          3HG1      VAL   5   3.612  -5.266  -2.085
   46   1HG2  VAL   5          1HG2      VAL   5   3.590  -8.289  -3.490
   47   2HG2  VAL   5          2HG2      VAL   5   3.795  -7.968  -1.768
   48   3HG2  VAL   5          3HG2      VAL   5   5.080  -8.766  -2.676
   49    H    LYS   6           H        LYS   6   5.972  -5.051  -6.260
   50    HA   LYS   6           HA       LYS   6   8.373  -3.828  -5.141
   51   1HB   LYS   6          1HB       LYS   6   8.758  -2.896  -7.276
   52   2HB   LYS   6          2HB       LYS   6   8.156  -4.519  -7.583
   53   1HG   LYS   6          1HG       LYS   6   5.947  -3.628  -8.068
   54   2HG   LYS   6          2HG       LYS   6   6.517  -1.996  -7.714
   55   1HD   LYS   6          1HD       LYS   6   7.777  -3.722  -9.830
   56   2HD   LYS   6          2HD       LYS   6   6.405  -2.664 -10.164
   57   1HE   LYS   6          1HE       LYS   6   9.066  -1.792  -9.042
   58   2HE   LYS   6          2HE       LYS   6   8.549  -1.602 -10.718
   59   1HZ   LYS   6          1HZ       LYS   6   8.194   0.443  -9.569
   60   2HZ   LYS   6          2HZ       LYS   6   7.341  -0.324  -8.326
   61   3HZ   LYS   6          3HZ       LYS   6   6.679  -0.241  -9.880
   62    H    THR   7           H        THR   7   8.545  -1.681  -4.578
   63    HA   THR   7           HA       THR   7   5.989  -0.298  -4.153
   64    HB   THR   7           HB       THR   7   7.196   1.020  -2.459
   65    HG1  THR   7           HG1      THR   7   9.349  -0.116  -3.665
   66   1HG2  THR   7          1HG2      THR   7   6.444  -0.609  -1.146
   67   2HG2  THR   7          2HG2      THR   7   8.100  -1.218  -1.181
   68   3HG2  THR   7          3HG2      THR   7   6.896  -1.869  -2.295
   69    H    LEU   8           H        LEU   8   6.782   2.273  -3.823
   70    HA   LEU   8           HA       LEU   8   7.288   3.076  -6.553
   71   1HB   LEU   8          1HB       LEU   8   5.888   4.147  -4.365
   72   2HB   LEU   8          2HB       LEU   8   7.197   5.268  -4.686
   73    HG   LEU   8           HG       LEU   8   5.005   5.752  -5.848
   74   1HD1  LEU   8          1HD1      LEU   8   7.638   5.500  -7.230
   75   2HD1  LEU   8          2HD1      LEU   8   6.771   6.947  -6.715
   76   3HD1  LEU   8          3HD1      LEU   8   6.225   6.048  -8.130
   77   1HD2  LEU   8          1HD2      LEU   8   5.600   3.904  -8.018
   78   2HD2  LEU   8          2HD2      LEU   8   4.059   4.307  -7.260
   79   3HD2  LEU   8          3HD2      LEU   8   5.111   3.095  -6.529
   80    H    THR   9           H        THR   9   9.254   2.284  -4.031
   81    HA   THR   9           HA       THR   9  11.292   4.287  -4.701
   82    HB   THR   9           HB       THR   9  12.434   3.578  -2.661
   83    HG1  THR   9           HG1      THR   9  10.320   1.703  -2.485
   84   1HG2  THR   9          1HG2      THR   9  10.668   5.276  -2.431
   85   2HG2  THR   9          2HG2      THR   9  10.869   4.288  -0.983
   86   3HG2  THR   9          3HG2      THR   9   9.514   3.991  -2.072
   87    H    GLY  10           H        GLY  10  10.522   1.913  -6.343
   88   1HA   GLY  10          1HA       GLY  10  11.547   0.272  -7.578
   89   2HA   GLY  10          2HA       GLY  10  13.019   1.194  -7.310
   90    H    LYS  11           H        LYS  11  10.972  -0.570  -5.004
   91    HA   LYS  11           HA       LYS  11  13.307  -2.258  -4.381
   92   1HB   LYS  11          1HB       LYS  11  12.204  -0.457  -2.679
   93   2HB   LYS  11          2HB       LYS  11  11.264  -1.888  -2.280
   94   1HG   LYS  11          1HG       LYS  11  13.652  -3.007  -2.197
   95   2HG   LYS  11          2HG       LYS  11  14.156  -1.344  -1.891
   96   1HD   LYS  11          1HD       LYS  11  13.757  -2.498   0.206
   97   2HD   LYS  11          2HD       LYS  11  12.561  -1.220  -0.024
   98   1HE   LYS  11          1HE       LYS  11  10.850  -2.674  -0.152
   99   2HE   LYS  11          2HE       LYS  11  11.780  -3.841  -1.091
  100   1HZ   LYS  11          1HZ       LYS  11  12.443  -4.928   0.751
  101   2HZ   LYS  11          2HZ       LYS  11  11.045  -4.252   1.421
  102   3HZ   LYS  11          3HZ       LYS  11  12.549  -3.529   1.697
  103    H    THR  12           H        THR  12  13.022  -4.360  -4.708
  104    HA   THR  12           HA       THR  12  10.313  -5.362  -5.161
  105    HB   THR  12           HB       THR  12  12.798  -6.989  -5.573
  106    HG1  THR  12           HG1      THR  12  13.349  -5.893  -7.288
  107   1HG2  THR  12          1HG2      THR  12  11.317  -7.498  -7.702
  108   2HG2  THR  12          2HG2      THR  12  10.027  -7.003  -6.606
  109   3HG2  THR  12          3HG2      THR  12  11.087  -8.343  -6.172
  110    H    LEU  13           H        LEU  13   9.274  -6.314  -3.565
  111    HA   LEU  13           HA       LEU  13  10.822  -7.583  -1.412
  112   1HB   LEU  13          1HB       LEU  13   9.516  -6.113  -0.273
  113   2HB   LEU  13          2HB       LEU  13   8.278  -6.081  -1.514
  114    HG   LEU  13           HG       LEU  13   7.510  -8.325  -0.706
  115   1HD1  LEU  13          1HD1      LEU  13   9.921  -8.248   0.716
  116   2HD1  LEU  13          2HD1      LEU  13   8.662  -9.480   0.796
  117   3HD1  LEU  13          3HD1      LEU  13   8.641  -8.122   1.923
  118   1HD2  LEU  13          1HD2      LEU  13   6.461  -6.174  -0.031
  119   2HD2  LEU  13          2HD2      LEU  13   7.479  -6.180   1.408
  120   3HD2  LEU  13          3HD2      LEU  13   6.290  -7.460   1.165
  121    H    THR  14           H        THR  14  10.714  -9.721  -1.115
  122    HA   THR  14           HA       THR  14   8.762 -11.226  -2.722
  123    HB   THR  14           HB       THR  14  11.279 -12.366  -1.525
  124    HG1  THR  14           HG1      THR  14  11.072 -10.570  -3.536
  125   1HG2  THR  14          1HG2      THR  14   9.615 -13.170  -3.897
  126   2HG2  THR  14          2HG2      THR  14   9.733 -14.017  -2.355
  127   3HG2  THR  14          3HG2      THR  14  11.138 -13.919  -3.417
  128    H    VAL  15           H        VAL  15   7.080 -11.900  -1.579
  129    HA   VAL  15           HA       VAL  15   7.549 -12.884   1.160
  130    HB   VAL  15           HB       VAL  15   5.072 -12.273   1.510
  131   1HG1  VAL  15          1HG1      VAL  15   7.224 -11.106   2.366
  132   2HG1  VAL  15          2HG1      VAL  15   5.679 -10.265   2.487
  133   3HG1  VAL  15          3HG1      VAL  15   6.806  -9.856   1.194
  134   1HG2  VAL  15          1HG2      VAL  15   5.703 -10.496  -0.847
  135   2HG2  VAL  15          2HG2      VAL  15   4.264 -10.392   0.169
  136   3HG2  VAL  15          3HG2      VAL  15   4.539 -11.821  -0.828
  137    H    GLU  16           H        GLU  16   6.385 -14.710   1.824
  138    HA   GLU  16           HA       GLU  16   5.296 -16.304  -0.393
  139   1HB   GLU  16          1HB       GLU  16   5.692 -17.969   1.834
  140   2HB   GLU  16          2HB       GLU  16   6.649 -17.910   0.362
  141   1HG   GLU  16          1HG       GLU  16   8.121 -16.256   1.361
  142   2HG   GLU  16          2HG       GLU  16   7.142 -16.257   2.828
  143    H    LEU  17           H        LEU  17   3.200 -16.757  -0.427
  144    HA   LEU  17           HA       LEU  17   1.703 -16.970   2.056
  145   1HB   LEU  17          1HB       LEU  17   1.470 -14.738   0.174
  146   2HB   LEU  17          2HB       LEU  17  -0.057 -15.502   0.571
  147    HG   LEU  17           HG       LEU  17   1.465 -15.058   2.972
  148   1HD1  LEU  17          1HD1      LEU  17   2.553 -13.273   1.777
  149   2HD1  LEU  17          2HD1      LEU  17   1.405 -12.597   2.934
  150   3HD1  LEU  17          3HD1      LEU  17   0.997 -12.657   1.219
  151   1HD2  LEU  17          1HD2      LEU  17  -1.211 -14.704   1.908
  152   2HD2  LEU  17          2HD2      LEU  17  -0.735 -13.406   3.002
  153   3HD2  LEU  17          3HD2      LEU  17  -0.685 -15.082   3.547
  154    H    GLU  18           H        GLU  18  -0.831 -17.118   1.098
  155    HA   GLU  18           HA       GLU  18  -0.758 -19.155  -1.017
  156   1HB   GLU  18          1HB       GLU  18  -2.628 -19.507   1.283
  157   2HB   GLU  18          2HB       GLU  18  -1.958 -20.715   0.199
  158   1HG   GLU  18          1HG       GLU  18  -0.362 -21.174   1.643
  159   2HG   GLU  18          2HG       GLU  18   0.147 -19.490   1.682
  160    HA   PRO  19           HA       PRO  19  -4.015 -16.980  -3.010
  161   1HB   PRO  19          1HB       PRO  19  -5.319 -19.650  -3.262
  162   2HB   PRO  19          2HB       PRO  19  -4.970 -18.447  -4.507
  163   1HG   PRO  19          1HG       PRO  19  -3.480 -20.642  -4.284
  164   2HG   PRO  19          2HG       PRO  19  -2.743 -19.078  -4.678
  165   1HD   PRO  19          1HD       PRO  19  -2.730 -20.588  -2.107
  166   2HD   PRO  19          2HD       PRO  19  -1.471 -19.561  -2.821
  167    H    SER  20           H        SER  20  -4.579 -19.057  -0.308
  168    HA   SER  20           HA       SER  20  -7.355 -18.462   0.024
  169   1HB   SER  20          1HB       SER  20  -7.217 -19.684   2.059
  170   2HB   SER  20          2HB       SER  20  -6.127 -20.497   0.937
  171    HG   SER  20           HG       SER  20  -4.611 -20.143   2.330
  172    H    ASP  21           H        ASP  21  -4.371 -16.959   1.017
  173    HA   ASP  21           HA       ASP  21  -5.442 -15.378   3.116
  174   1HB   ASP  21          1HB       ASP  21  -2.979 -15.033   1.402
  175   2HB   ASP  21          2HB       ASP  21  -3.365 -14.002   2.775
  176    H    THR  22           H        THR  22  -5.915 -13.140   3.124
  177    HA   THR  22           HA       THR  22  -6.891 -12.157   0.528
  178    HB   THR  22           HB       THR  22  -8.537 -10.883   1.716
  179    HG1  THR  22           HG1      THR  22  -6.864 -11.354   3.860
  180   1HG2  THR  22          1HG2      THR  22  -9.368 -13.053   1.497
  181   2HG2  THR  22          2HG2      THR  22  -9.639 -12.633   3.189
  182   3HG2  THR  22          3HG2      THR  22  -8.294 -13.685   2.745
  183    H    VAL  23           H        VAL  23  -6.795  -9.822   0.172
  184    HA   VAL  23           HA       VAL  23  -4.321  -8.736   0.199
  185    HB   VAL  23           HB       VAL  23  -6.921  -7.229   0.499
  186   1HG1  VAL  23          1HG1      VAL  23  -5.125  -5.767   1.134
  187   2HG1  VAL  23          2HG1      VAL  23  -5.669  -5.323  -0.483
  188   3HG1  VAL  23          3HG1      VAL  23  -4.181  -6.244  -0.276
  189   1HG2  VAL  23          1HG2      VAL  23  -7.152  -7.303  -1.767
  190   2HG2  VAL  23          2HG2      VAL  23  -6.305  -8.831  -1.522
  191   3HG2  VAL  23          3HG2      VAL  23  -5.414  -7.405  -2.052
  192    H    GLU  24           H        GLU  24  -6.763  -8.289   2.746
  193    HA   GLU  24           HA       GLU  24  -5.506  -6.536   4.414
  194   1HB   GLU  24          1HB       GLU  24  -7.749  -7.920   4.646
  195   2HB   GLU  24          2HB       GLU  24  -6.746  -8.951   5.658
  196   1HG   GLU  24          1HG       GLU  24  -6.426  -6.149   6.312
  197   2HG   GLU  24          2HG       GLU  24  -8.104  -6.677   6.441
  198    H    ASN  25           H        ASN  25  -5.150 -10.085   4.603
  199    HA   ASN  25           HA       ASN  25  -3.193 -10.180   6.556
  200   1HB   ASN  25          1HB       ASN  25  -3.333 -12.041   4.177
  201   2HB   ASN  25          2HB       ASN  25  -2.680 -12.397   5.773
  202   1HD2  ASN  25          1HD2      ASN  25  -4.668 -11.271   7.350
  203   2HD2  ASN  25          2HD2      ASN  25  -6.116 -12.193   7.161
  204    H    LEU  26           H        LEU  26  -2.712 -10.168   3.021
  205    HA   LEU  26           HA       LEU  26   0.040 -10.153   2.944
  206   1HB   LEU  26          1HB       LEU  26  -1.413 -10.294   0.959
  207   2HB   LEU  26          2HB       LEU  26  -1.827  -8.602   1.147
  208    HG   LEU  26           HG       LEU  26   0.410  -7.916   0.614
  209   1HD1  LEU  26          1HD1      LEU  26   1.012 -10.769   1.103
  210   2HD1  LEU  26          2HD1      LEU  26   1.960  -9.326   1.468
  211   3HD1  LEU  26          3HD1      LEU  26   1.926  -9.965  -0.175
  212   1HD2  LEU  26          1HD2      LEU  26   0.184  -9.962  -1.470
  213   2HD2  LEU  26          2HD2      LEU  26   0.174  -8.203  -1.597
  214   3HD2  LEU  26          3HD2      LEU  26  -1.303  -9.064  -1.163
  215    H    LYS  27           H        LYS  27  -2.164  -7.490   3.579
  216    HA   LYS  27           HA       LYS  27  -0.236  -5.418   3.502
  217   1HB   LYS  27          1HB       LYS  27  -2.839  -5.518   5.038
  218   2HB   LYS  27          2HB       LYS  27  -1.916  -4.070   4.663
  219   1HG   LYS  27          1HG       LYS  27  -2.246  -4.989   2.186
  220   2HG   LYS  27          2HG       LYS  27  -3.676  -5.702   2.938
  221   1HD   LYS  27          1HD       LYS  27  -4.629  -3.661   3.383
  222   2HD   LYS  27          2HD       LYS  27  -3.073  -2.831   3.450
  223   1HE   LYS  27          1HE       LYS  27  -2.859  -3.005   1.032
  224   2HE   LYS  27          2HE       LYS  27  -4.384  -3.888   0.947
  225   1HZ   LYS  27          1HZ       LYS  27  -4.196  -1.156   2.072
  226   2HZ   LYS  27          2HZ       LYS  27  -5.584  -1.990   1.582
  227   3HZ   LYS  27          3HZ       LYS  27  -4.477  -1.441   0.427
  228    H    ALA  28           H        ALA  28  -1.652  -7.268   6.189
  229    HA   ALA  28           HA       ALA  28  -0.404  -6.092   8.330
  230   1HB   ALA  28          1HB       ALA  28  -0.721  -8.136   9.529
  231   2HB   ALA  28          2HB       ALA  28  -0.767  -9.070   8.033
  232   3HB   ALA  28          3HB       ALA  28  -2.076  -7.953   8.415
  233    H    LYS  29           H        LYS  29   0.910  -8.420   6.038
  234    HA   LYS  29           HA       LYS  29   3.373  -8.831   7.404
  235   1HB   LYS  29          1HB       LYS  29   2.279  -9.473   4.712
  236   2HB   LYS  29          2HB       LYS  29   4.028  -9.479   4.894
  237   1HG   LYS  29          1HG       LYS  29   3.631 -11.014   6.900
  238   2HG   LYS  29          2HG       LYS  29   1.997 -11.205   6.262
  239   1HD   LYS  29          1HD       LYS  29   2.900 -12.011   4.147
  240   2HD   LYS  29          2HD       LYS  29   4.543 -11.783   4.751
  241   1HE   LYS  29          1HE       LYS  29   2.899 -13.396   6.528
  242   2HE   LYS  29          2HE       LYS  29   3.051 -14.097   4.918
  243   1HZ   LYS  29          1HZ       LYS  29   4.977 -14.894   5.668
  244   2HZ   LYS  29          2HZ       LYS  29   5.017 -13.850   6.998
  245   3HZ   LYS  29          3HZ       LYS  29   5.580 -13.322   5.494
  246    H    ILE  30           H        ILE  30   2.376  -6.733   4.724
  247    HA   ILE  30           HA       ILE  30   4.906  -5.607   4.210
  248    HB   ILE  30           HB       ILE  30   2.161  -4.426   3.764
  249   1HG1  ILE  30          1HG1      ILE  30   3.974  -6.187   2.147
  250   2HG1  ILE  30          2HG1      ILE  30   2.243  -6.340   2.435
  251   1HG2  ILE  30          1HG2      ILE  30   3.920  -2.711   3.820
  252   2HG2  ILE  30          2HG2      ILE  30   3.227  -2.900   2.209
  253   3HG2  ILE  30          3HG2      ILE  30   4.806  -3.595   2.578
  254   1HD1  ILE  30          1HD1      ILE  30   2.216  -5.646   0.277
  255   2HD1  ILE  30          2HD1      ILE  30   3.699  -4.705   0.441
  256   3HD1  ILE  30          3HD1      ILE  30   2.180  -4.077   1.082
  257    H    GLN  31           H        GLN  31   2.710  -5.158   6.785
  258    HA   GLN  31           HA       GLN  31   3.625  -2.506   7.486
  259   1HB   GLN  31          1HB       GLN  31   1.294  -3.302   7.922
  260   2HB   GLN  31          2HB       GLN  31   1.945  -4.421   9.112
  261   1HG   GLN  31          1HG       GLN  31   2.951  -2.355  10.233
  262   2HG   GLN  31          2HG       GLN  31   1.854  -1.429   9.208
  263   1HE2  GLN  31          1HE2      GLN  31   1.844  -1.538  12.058
  264   2HE2  GLN  31          2HE2      GLN  31   0.322  -2.195  12.543
  265    H    ASP  32           H        ASP  32   4.095  -5.821   8.607
  266    HA   ASP  32           HA       ASP  32   5.904  -4.966  10.706
  267   1HB   ASP  32          1HB       ASP  32   4.339  -7.289  10.168
  268   2HB   ASP  32          2HB       ASP  32   6.019  -7.766  10.380
  269    H    LYS  33           H        LYS  33   6.276  -5.081   7.532
  270    HA   LYS  33           HA       LYS  33   9.034  -6.106   7.692
  271   1HB   LYS  33          1HB       LYS  33   7.022  -6.276   5.461
  272   2HB   LYS  33          2HB       LYS  33   8.746  -6.438   5.155
  273   1HG   LYS  33          1HG       LYS  33   8.883  -8.384   6.523
  274   2HG   LYS  33          2HG       LYS  33   7.233  -8.156   7.107
  275   1HD   LYS  33          1HD       LYS  33   6.310  -9.026   5.234
  276   2HD   LYS  33          2HD       LYS  33   7.551  -8.346   4.179
  277   1HE   LYS  33          1HE       LYS  33   8.069 -10.659   6.032
  278   2HE   LYS  33          2HE       LYS  33   7.498 -10.872   4.378
  279   1HZ   LYS  33          1HZ       LYS  33   9.617 -10.801   3.773
  280   2HZ   LYS  33          2HZ       LYS  33  10.126 -10.322   5.313
  281   3HZ   LYS  33          3HZ       LYS  33   9.636  -9.159   4.186
  282    H    GLU  34           H        GLU  34   7.139  -4.089   5.442
  283    HA   GLU  34           HA       GLU  34   9.414  -2.287   5.184
  284   1HB   GLU  34          1HB       GLU  34   6.913  -1.683   3.736
  285   2HB   GLU  34          2HB       GLU  34   8.574  -1.693   3.160
  286   1HG   GLU  34          1HG       GLU  34   8.438  -4.222   3.252
  287   2HG   GLU  34          2HG       GLU  34   6.700  -4.016   3.470
  288    H    GLY  35           H        GLY  35   6.972  -2.556   7.313
  289   1HA   GLY  35          1HA       GLY  35   5.966  -1.115   8.786
  290   2HA   GLY  35          2HA       GLY  35   7.272  -0.002   8.406
  291    H    ILE  36           H        ILE  36   4.731  -1.273   6.282
  292    HA   ILE  36           HA       ILE  36   3.870   1.508   5.824
  293    HB   ILE  36           HB       ILE  36   3.586  -0.845   3.953
  294   1HG1  ILE  36          1HG1      ILE  36   5.461   1.525   3.796
  295   2HG1  ILE  36          2HG1      ILE  36   5.937  -0.104   4.266
  296   1HG2  ILE  36          1HG2      ILE  36   2.485   1.857   3.984
  297   2HG2  ILE  36          2HG2      ILE  36   1.979   0.435   3.072
  298   3HG2  ILE  36          3HG2      ILE  36   3.301   1.440   2.477
  299   1HD1  ILE  36          1HD1      ILE  36   6.260  -0.628   2.149
  300   2HD1  ILE  36          2HD1      ILE  36   5.803   1.009   1.680
  301   3HD1  ILE  36          3HD1      ILE  36   4.577  -0.255   1.780
  302    HA   PRO  37           HA       PRO  37   0.101   0.245   7.886
  303   1HB   PRO  37          1HB       PRO  37  -0.880   2.792   6.735
  304   2HB   PRO  37          2HB       PRO  37  -0.855   2.253   8.416
  305   1HG   PRO  37          1HG       PRO  37   0.839   4.125   7.546
  306   2HG   PRO  37          2HG       PRO  37   1.346   2.906   8.730
  307   1HD   PRO  37          1HD       PRO  37   1.897   3.039   5.791
  308   2HD   PRO  37          2HD       PRO  37   2.975   2.559   7.119
  309    HA   PRO  38           HA       PRO  38  -2.047  -1.628   4.475
  310   1HB   PRO  38          1HB       PRO  38  -4.300  -1.737   6.402
  311   2HB   PRO  38          2HB       PRO  38  -3.524  -3.044   5.502
  312   1HG   PRO  38          1HG       PRO  38  -3.104  -2.739   8.121
  313   2HG   PRO  38          2HG       PRO  38  -1.798  -3.251   7.036
  314   1HD   PRO  38          1HD       PRO  38  -2.313  -0.567   8.251
  315   2HD   PRO  38          2HD       PRO  38  -0.772  -1.408   7.986
  316    H    ASP  39           H        ASP  39  -3.384   1.001   6.378
  317    HA   ASP  39           HA       ASP  39  -5.586   1.571   4.683
  318   1HB   ASP  39          1HB       ASP  39  -4.521   2.580   7.116
  319   2HB   ASP  39          2HB       ASP  39  -4.688   3.941   6.010
  320    H    GLN  40           H        GLN  40  -2.237   2.116   4.373
  321    HA   GLN  40           HA       GLN  40  -2.727   4.041   2.197
  322   1HB   GLN  40          1HB       GLN  40  -0.078   3.795   3.584
  323   2HB   GLN  40          2HB       GLN  40  -0.721   5.148   2.663
  324   1HG   GLN  40          1HG       GLN  40  -2.385   5.503   4.482
  325   2HG   GLN  40          2HG       GLN  40  -1.552   4.260   5.414
  326   1HE2  GLN  40          1HE2      GLN  40  -1.309   6.023   6.966
  327   2HE2  GLN  40          2HE2      GLN  40   0.025   7.107   6.793
  328    H    GLN  41           H        GLN  41  -2.581   1.014   2.294
  329    HA   GLN  41           HA       GLN  41  -0.272   0.566   0.544
  330   1HB   GLN  41          1HB       GLN  41  -1.982  -1.195   2.240
  331   2HB   GLN  41          2HB       GLN  41  -1.206  -1.896   0.826
  332   1HG   GLN  41          1HG       GLN  41   0.971  -1.057   1.691
  333   2HG   GLN  41          2HG       GLN  41   0.136  -0.559   3.161
  334   1HE2  GLN  41          1HE2      GLN  41   0.213  -1.945   4.762
  335   2HE2  GLN  41          2HE2      GLN  41   0.412  -3.656   4.626
  336    H    ARG  42           H        ARG  42  -0.831   1.218  -1.471
  337    HA   ARG  42           HA       ARG  42  -3.398   0.333  -2.575
  338   1HB   ARG  42          1HB       ARG  42  -2.304   2.759  -2.731
  339   2HB   ARG  42          2HB       ARG  42  -1.530   2.045  -4.139
  340   1HG   ARG  42          1HG       ARG  42  -3.621   1.609  -5.175
  341   2HG   ARG  42          2HG       ARG  42  -4.504   2.015  -3.701
  342   1HD   ARG  42          1HD       ARG  42  -2.735   4.136  -4.679
  343   2HD   ARG  42          2HD       ARG  42  -4.052   3.724  -5.776
  344    HE   ARG  42           HE       ARG  42  -4.261   5.124  -3.307
  345   1HH1  ARG  42          1HH1      ARG  42  -7.507   3.360  -4.850
  346   2HH1  ARG  42          2HH1      ARG  42  -5.932   2.899  -5.402
  347   1HH2  ARG  42          1HH2      ARG  42  -6.332   5.738  -2.572
  348   2HH2  ARG  42          2HH2      ARG  42  -7.734   4.975  -3.241
  349    H    LEU  43           H        LEU  43  -3.160  -1.752  -3.199
  350    HA   LEU  43           HA       LEU  43  -0.779  -2.578  -4.651
  351   1HB   LEU  43          1HB       LEU  43  -3.224  -4.141  -3.821
  352   2HB   LEU  43          2HB       LEU  43  -1.794  -4.826  -4.569
  353    HG   LEU  43           HG       LEU  43  -1.699  -3.372  -1.933
  354   1HD1  LEU  43          1HD1      LEU  43  -2.377  -5.175  -0.804
  355   2HD1  LEU  43          2HD1      LEU  43  -1.498  -6.281  -1.859
  356   3HD1  LEU  43          3HD1      LEU  43  -3.093  -5.694  -2.330
  357   1HD2  LEU  43          1HD2      LEU  43   0.420  -4.463  -1.673
  358   2HD2  LEU  43          2HD2      LEU  43   0.402  -3.651  -3.239
  359   3HD2  LEU  43          3HD2      LEU  43   0.173  -5.398  -3.148
  360    H    ILE  44           H        ILE  44  -0.639  -2.561  -6.788
  361    HA   ILE  44           HA       ILE  44  -3.130  -2.600  -8.365
  362    HB   ILE  44           HB       ILE  44  -0.580  -1.110  -8.998
  363   1HG1  ILE  44          1HG1      ILE  44  -3.327  -0.226  -8.118
  364   2HG1  ILE  44          2HG1      ILE  44  -1.780   0.114  -7.350
  365   1HG2  ILE  44          1HG2      ILE  44  -2.384  -2.198 -10.783
  366   2HG2  ILE  44          2HG2      ILE  44  -1.245  -0.892 -11.113
  367   3HG2  ILE  44          3HG2      ILE  44  -2.901  -0.518 -10.636
  368   1HD1  ILE  44          1HD1      ILE  44  -3.013   1.355  -9.756
  369   2HD1  ILE  44          2HD1      ILE  44  -1.257   1.327  -9.593
  370   3HD1  ILE  44          3HD1      ILE  44  -2.245   2.112  -8.362
  371    H    PHE  45           H        PHE  45  -2.733  -4.965  -8.285
  372    HA   PHE  45           HA       PHE  45  -0.470  -6.051  -9.661
  373   1HB   PHE  45          1HB       PHE  45  -1.500  -7.400  -7.968
  374   2HB   PHE  45          2HB       PHE  45  -3.077  -7.267  -8.740
  375    HD1  PHE  45           HD1      PHE  45   0.282  -8.104 -10.130
  376    HD2  PHE  45           HD2      PHE  45  -3.720  -9.380  -9.392
  377    HE1  PHE  45           HE1      PHE  45   0.719 -10.184 -11.378
  378    HE2  PHE  45           HE2      PHE  45  -3.290 -11.463 -10.638
  379    HZ   PHE  45           HZ       PHE  45  -1.068 -11.867 -11.632
  380    H    ALA  46           H        ALA  46  -0.185  -5.987 -11.780
  381    HA   ALA  46           HA       ALA  46  -0.584  -5.846 -14.018
  382   1HB   ALA  46          1HB       ALA  46  -1.252  -7.938 -14.411
  383   2HB   ALA  46          2HB       ALA  46  -2.891  -7.289 -14.470
  384   3HB   ALA  46          3HB       ALA  46  -2.266  -7.973 -12.969
  385    H    GLY  47           H        GLY  47  -1.577  -3.667 -12.560
  386   1HA   GLY  47          1HA       GLY  47  -2.764  -1.762 -13.155
  387   2HA   GLY  47          2HA       GLY  47  -3.525  -2.677 -14.448
  388    H    LYS  48           H        LYS  48  -4.036  -4.663 -12.018
  389    HA   LYS  48           HA       LYS  48  -6.686  -3.571 -11.487
  390   1HB   LYS  48          1HB       LYS  48  -5.526  -6.217 -11.676
  391   2HB   LYS  48          2HB       LYS  48  -6.437  -6.036 -10.183
  392   1HG   LYS  48          1HG       LYS  48  -8.430  -5.538 -11.341
  393   2HG   LYS  48          2HG       LYS  48  -7.570  -5.305 -12.866
  394   1HD   LYS  48          1HD       LYS  48  -7.021  -7.663 -12.952
  395   2HD   LYS  48          2HD       LYS  48  -7.772  -7.921 -11.376
  396   1HE   LYS  48          1HE       LYS  48  -9.269  -6.850 -13.757
  397   2HE   LYS  48          2HE       LYS  48  -9.158  -8.570 -13.388
  398   1HZ   LYS  48          1HZ       LYS  48 -11.027  -8.136 -12.243
  399   2HZ   LYS  48          2HZ       LYS  48 -10.691  -6.488 -12.069
  400   3HZ   LYS  48          3HZ       LYS  48  -9.957  -7.612 -11.040
  401    H    GLN  49           H        GLN  49  -7.102  -2.466  -9.702
  402    HA   GLN  49           HA       GLN  49  -5.192  -2.359  -7.549
  403   1HB   GLN  49          1HB       GLN  49  -7.752  -0.943  -8.190
  404   2HB   GLN  49          2HB       GLN  49  -7.097  -0.855  -6.561
  405   1HG   GLN  49          1HG       GLN  49  -5.384   0.477  -7.169
  406   2HG   GLN  49          2HG       GLN  49  -5.210  -0.282  -8.752
  407   1HE2  GLN  49          1HE2      GLN  49  -6.615   0.362 -10.439
  408   2HE2  GLN  49          2HE2      GLN  49  -7.389   1.907 -10.407
  409    H    LEU  50           H        LEU  50  -5.126  -4.072  -6.222
  410    HA   LEU  50           HA       LEU  50  -7.106  -5.900  -5.676
  411   1HB   LEU  50          1HB       LEU  50  -4.969  -4.944  -3.771
  412   2HB   LEU  50          2HB       LEU  50  -5.866  -6.444  -3.630
  413    HG   LEU  50           HG       LEU  50  -3.783  -5.709  -5.670
  414   1HD1  LEU  50          1HD1      LEU  50  -3.503  -8.310  -4.613
  415   2HD1  LEU  50          2HD1      LEU  50  -3.825  -7.226  -3.259
  416   3HD1  LEU  50          3HD1      LEU  50  -2.473  -6.904  -4.345
  417   1HD2  LEU  50          1HD2      LEU  50  -5.554  -6.687  -6.949
  418   2HD2  LEU  50          2HD2      LEU  50  -5.771  -7.972  -5.761
  419   3HD2  LEU  50          3HD2      LEU  50  -4.299  -7.906  -6.729
  420    H    GLU  51           H        GLU  51  -8.559  -6.203  -3.932
  421    HA   GLU  51           HA       GLU  51  -9.295  -3.738  -2.499
  422   1HB   GLU  51          1HB       GLU  51 -11.134  -5.726  -3.834
  423   2HB   GLU  51          2HB       GLU  51 -11.685  -4.490  -2.711
  424   1HG   GLU  51          1HG       GLU  51 -10.144  -3.133  -4.598
  425   2HG   GLU  51          2HG       GLU  51 -11.101  -4.293  -5.519
  426    H    ASP  52           H        ASP  52  -9.070  -4.016  -0.391
  427    HA   ASP  52           HA       ASP  52  -8.454  -6.281   0.975
  428   1HB   ASP  52          1HB       ASP  52  -8.554  -3.879   1.839
  429   2HB   ASP  52          2HB       ASP  52 -10.255  -4.184   2.178
  430    H    GLY  53           H        GLY  53  -9.492  -7.989   1.900
  431   1HA   GLY  53          1HA       GLY  53 -11.483  -9.025   2.790
  432   2HA   GLY  53          2HA       GLY  53 -12.425  -8.097   1.634
  433    H    ARG  54           H        ARG  54 -10.539  -8.674  -0.561
  434    HA   ARG  54           HA       ARG  54 -11.621 -11.285  -1.254
  435   1HB   ARG  54          1HB       ARG  54  -9.915  -9.568  -3.039
  436   2HB   ARG  54          2HB       ARG  54 -11.114 -10.769  -3.497
  437   1HG   ARG  54          1HG       ARG  54 -12.265  -8.626  -1.918
  438   2HG   ARG  54          2HG       ARG  54 -11.480  -8.037  -3.386
  439   1HD   ARG  54          1HD       ARG  54 -13.373  -8.582  -4.436
  440   2HD   ARG  54          2HD       ARG  54 -12.843 -10.255  -4.265
  441    HE   ARG  54           HE       ARG  54 -14.173  -9.558  -1.923
  442   1HH1  ARG  54          1HH1      ARG  54 -16.533 -10.388  -5.049
  443   2HH1  ARG  54          2HH1      ARG  54 -14.881  -9.942  -5.312
  444   1HH2  ARG  54          1HH2      ARG  54 -16.347 -10.146  -1.566
  445   2HH2  ARG  54          2HH2      ARG  54 -17.367 -10.505  -2.918
  446    H    THR  55           H        THR  55 -10.269 -12.935  -2.236
  447    HA   THR  55           HA       THR  55  -7.705 -13.136  -0.852
  448    HB   THR  55           HB       THR  55  -7.847 -15.457  -1.123
  449    HG1  THR  55           HG1      THR  55  -9.424 -16.355  -2.633
  450   1HG2  THR  55          1HG2      THR  55 -10.510 -14.238  -0.659
  451   2HG2  THR  55          2HG2      THR  55  -9.503 -15.212   0.413
  452   3HG2  THR  55          3HG2      THR  55 -10.412 -15.984  -0.887
  453    H    LEU  56           H        LEU  56  -5.840 -14.039  -2.008
  454    HA   LEU  56           HA       LEU  56  -5.168 -12.541  -4.267
  455   1HB   LEU  56          1HB       LEU  56  -3.943 -15.094  -3.220
  456   2HB   LEU  56          2HB       LEU  56  -3.216 -14.076  -4.449
  457    HG   LEU  56           HG       LEU  56  -3.617 -13.475  -1.532
  458   1HD1  LEU  56          1HD1      LEU  56  -1.568 -14.527  -1.857
  459   2HD1  LEU  56          2HD1      LEU  56  -1.158 -12.812  -1.885
  460   3HD1  LEU  56          3HD1      LEU  56  -1.284 -13.714  -3.395
  461   1HD2  LEU  56          1HD2      LEU  56  -3.566 -11.611  -3.802
  462   2HD2  LEU  56          2HD2      LEU  56  -2.437 -11.237  -2.501
  463   3HD2  LEU  56          3HD2      LEU  56  -4.159 -11.385  -2.157
  464    H    SER  57           H        SER  57  -6.245 -15.907  -3.987
  465    HA   SER  57           HA       SER  57  -5.924 -16.702  -6.626
  466   1HB   SER  57          1HB       SER  57  -6.600 -18.547  -5.518
  467   2HB   SER  57          2HB       SER  57  -7.482 -17.604  -4.315
  468    HG   SER  57           HG       SER  57  -8.597 -19.058  -6.047
  469    H    ASP  58           H        ASP  58  -8.556 -14.899  -5.122
  470    HA   ASP  58           HA       ASP  58 -10.458 -14.958  -7.111
  471   1HB   ASP  58          1HB       ASP  58  -9.679 -12.825  -5.141
  472   2HB   ASP  58          2HB       ASP  58 -10.980 -12.553  -6.297
  473    H    TYR  59           H        TYR  59  -7.503 -13.064  -6.954
  474    HA   TYR  59           HA       TYR  59  -8.160 -11.692  -9.442
  475   1HB   TYR  59          1HB       TYR  59  -5.775 -11.437  -7.597
  476   2HB   TYR  59          2HB       TYR  59  -6.032 -10.469  -9.044
  477    HD1  TYR  59           HD1      TYR  59  -6.727 -10.810  -5.542
  478    HD2  TYR  59           HD2      TYR  59  -8.100  -8.981  -9.140
  479    HE1  TYR  59           HE1      TYR  59  -8.027  -9.189  -4.216
  480    HE2  TYR  59           HE2      TYR  59  -9.403  -7.356  -7.825
  481    HH   TYR  59           HH       TYR  59 -10.297  -7.699  -4.838
  482    H    ASN  60           H        ASN  60  -7.776 -14.537  -9.517
  483    HA   ASN  60           HA       ASN  60  -6.473 -16.189 -10.466
  484   1HB   ASN  60          1HB       ASN  60  -5.963 -15.622 -12.866
  485   2HB   ASN  60          2HB       ASN  60  -7.630 -15.332 -12.380
  486   1HD2  ASN  60          1HD2      ASN  60  -8.470 -13.426 -12.829
  487   2HD2  ASN  60          2HD2      ASN  60  -7.584 -12.005 -13.255
  488    H    LEU  61           H        LEU  61  -4.895 -14.914  -8.636
  489    HA   LEU  61           HA       LEU  61  -2.428 -14.054  -9.855
  490   1HB   LEU  61          1HB       LEU  61  -3.528 -14.250  -7.126
  491   2HB   LEU  61          2HB       LEU  61  -1.793 -14.470  -7.249
  492    HG   LEU  61           HG       LEU  61  -2.957 -12.120  -8.645
  493   1HD1  LEU  61          1HD1      LEU  61  -2.419 -11.932  -5.710
  494   2HD1  LEU  61          2HD1      LEU  61  -4.019 -12.379  -6.301
  495   3HD1  LEU  61          3HD1      LEU  61  -3.312 -10.829  -6.757
  496   1HD2  LEU  61          1HD2      LEU  61  -0.838 -11.153  -7.510
  497   2HD2  LEU  61          2HD2      LEU  61  -0.661 -12.249  -8.881
  498   3HD2  LEU  61          3HD2      LEU  61  -0.422 -12.845  -7.239
  499    H    GLN  62           H        GLN  62  -0.868 -15.352 -10.544
  500    HA   GLN  62           HA       GLN  62  -0.860 -18.146  -9.645
  501   1HB   GLN  62          1HB       GLN  62   0.541 -16.924 -12.028
  502   2HB   GLN  62          2HB       GLN  62   0.421 -18.637 -11.653
  503   1HG   GLN  62          1HG       GLN  62  -2.208 -17.609 -11.726
  504   2HG   GLN  62          2HG       GLN  62  -1.360 -16.999 -13.146
  505   1HE2  GLN  62          1HE2      GLN  62  -1.992 -19.964 -11.327
  506   2HE2  GLN  62          2HE2      GLN  62  -1.997 -21.016 -12.698
  507    H    LYS  63           H        LYS  63   0.872 -19.049  -8.653
  508    HA   LYS  63           HA       LYS  63   2.557 -17.715  -7.043
  509   1HB   LYS  63          1HB       LYS  63   4.224 -19.714  -7.639
  510   2HB   LYS  63          2HB       LYS  63   2.766 -19.956  -6.688
  511   1HG   LYS  63          1HG       LYS  63   1.731 -21.129  -8.317
  512   2HG   LYS  63          2HG       LYS  63   2.482 -20.200  -9.617
  513   1HD   LYS  63          1HD       LYS  63   4.662 -21.386  -8.869
  514   2HD   LYS  63          2HD       LYS  63   3.573 -22.527  -8.079
  515   1HE   LYS  63          1HE       LYS  63   3.286 -23.571 -10.017
  516   2HE   LYS  63          2HE       LYS  63   2.583 -22.100 -10.690
  517   1HZ   LYS  63          1HZ       LYS  63   4.312 -22.339 -12.103
  518   2HZ   LYS  63          2HZ       LYS  63   5.271 -23.183 -10.996
  519   3HZ   LYS  63          3HZ       LYS  63   5.143 -21.500 -10.892
  520    H    GLU  64           H        GLU  64   4.138 -16.284  -7.255
  521    HA   GLU  64           HA       GLU  64   6.059 -15.299  -8.063
  522   1HB   GLU  64          1HB       GLU  64   5.803 -16.917 -10.590
  523   2HB   GLU  64          2HB       GLU  64   7.243 -16.160  -9.924
  524   1HG   GLU  64          1HG       GLU  64   6.120 -18.058  -8.070
  525   2HG   GLU  64          2HG       GLU  64   6.442 -18.804  -9.635
  526    H    SER  65           H        SER  65   4.356 -13.597  -8.085
  527    HA   SER  65           HA       SER  65   4.039 -12.568 -10.817
  528   1HB   SER  65          1HB       SER  65   1.907 -12.707  -8.681
  529   2HB   SER  65          2HB       SER  65   1.784 -11.661 -10.096
  530    HG   SER  65           HG       SER  65   2.426 -14.290 -10.633
  531    H    THR  66           H        THR  66   3.955 -10.285 -10.995
  532    HA   THR  66           HA       THR  66   5.300  -8.932  -8.777
  533    HB   THR  66           HB       THR  66   4.927  -8.167 -11.676
  534    HG1  THR  66           HG1      THR  66   6.592  -9.787 -10.695
  535   1HG2  THR  66          1HG2      THR  66   6.868  -6.524 -10.844
  536   2HG2  THR  66          2HG2      THR  66   5.867  -6.569  -9.391
  537   3HG2  THR  66          3HG2      THR  66   5.168  -6.062 -10.929
  538    H    ILE  67           H        ILE  67   4.561  -6.993  -7.900
  539    HA   ILE  67           HA       ILE  67   1.899  -6.071  -8.697
  540    HB   ILE  67           HB       ILE  67   2.662  -6.895  -5.898
  541   1HG1  ILE  67          1HG1      ILE  67   0.079  -7.759  -6.851
  542   2HG1  ILE  67          2HG1      ILE  67   1.335  -8.233  -7.990
  543   1HG2  ILE  67          1HG2      ILE  67   0.484  -5.096  -6.880
  544   2HG2  ILE  67          2HG2      ILE  67   1.556  -4.902  -5.494
  545   3HG2  ILE  67          3HG2      ILE  67   0.246  -6.081  -5.437
  546   1HD1  ILE  67          1HD1      ILE  67   1.080  -8.971  -5.097
  547   2HD1  ILE  67          2HD1      ILE  67   2.572  -9.199  -6.009
  548   3HD1  ILE  67          3HD1      ILE  67   1.098 -10.030  -6.508
  549    H    HIS  68           H        HIS  68   1.755  -3.916  -8.747
  550    HA   HIS  68           HA       HIS  68   4.013  -2.359  -7.752
  551   1HB   HIS  68          1HB       HIS  68   1.692  -1.233  -9.296
  552   2HB   HIS  68          2HB       HIS  68   3.353  -0.653  -9.222
  553    HD1  HIS  68           HD1      HIS  68   2.149  -1.025 -11.951
  554    HD2  HIS  68           HD2      HIS  68   4.167  -4.059  -9.949
  555    HE1  HIS  68           HE1      HIS  68   2.917  -2.617 -13.740
  556    HE2  HIS  68           HE2      HIS  68   4.061  -4.487 -12.498
  557    H    LEU  69           H        LEU  69   3.813  -1.902  -5.637
  558    HA   LEU  69           HA       LEU  69   1.216  -1.173  -4.539
  559   1HB   LEU  69          1HB       LEU  69   2.567  -2.706  -3.244
  560   2HB   LEU  69          2HB       LEU  69   3.910  -1.578  -3.244
  561    HG   LEU  69           HG       LEU  69   2.532   0.003  -1.909
  562   1HD1  LEU  69          1HD1      LEU  69   0.398  -0.400  -1.267
  563   2HD1  LEU  69          2HD1      LEU  69   0.623  -2.148  -1.222
  564   3HD1  LEU  69          3HD1      LEU  69   0.386  -1.330  -2.766
  565   1HD2  LEU  69          1HD2      LEU  69   4.095  -1.402  -0.757
  566   2HD2  LEU  69          2HD2      LEU  69   2.966  -2.755  -0.779
  567   3HD2  LEU  69          3HD2      LEU  69   2.610  -1.325   0.191
  568    H    VAL  70           H        VAL  70   0.628   0.858  -4.955
  569    HA   VAL  70           HA       VAL  70   2.632   2.992  -4.731
  570    HB   VAL  70           HB       VAL  70  -0.074   3.700  -5.661
  571   1HG1  VAL  70          1HG1      VAL  70   1.853   4.483  -7.505
  572   2HG1  VAL  70          2HG1      VAL  70   2.662   4.584  -5.941
  573   3HG1  VAL  70          3HG1      VAL  70   1.160   5.466  -6.215
  574   1HG2  VAL  70          1HG2      VAL  70   0.509   2.832  -7.984
  575   2HG2  VAL  70          2HG2      VAL  70  -0.052   1.648  -6.805
  576   3HG2  VAL  70          3HG2      VAL  70   1.667   1.777  -7.176
  577    H    LEU  71           H        LEU  71   2.174   4.881  -3.534
  578    HA   LEU  71           HA       LEU  71   0.935   4.412  -1.034
  579   1HB   LEU  71          1HB       LEU  71   2.583   6.414  -2.220
  580   2HB   LEU  71          2HB       LEU  71   1.208   7.208  -1.477
  581    HG   LEU  71           HG       LEU  71   3.348   6.867  -0.078
  582   1HD1  LEU  71          1HD1      LEU  71   0.855   5.836   1.226
  583   2HD1  LEU  71          2HD1      LEU  71   0.978   7.507   0.675
  584   3HD1  LEU  71          3HD1      LEU  71   2.101   6.893   1.888
  585   1HD2  LEU  71          1HD2      LEU  71   2.185   4.202   0.574
  586   2HD2  LEU  71          2HD2      LEU  71   3.820   4.811   0.825
  587   3HD2  LEU  71          3HD2      LEU  71   3.290   4.350  -0.792
  588    H    ARG  72           H        ARG  72  -0.901   5.419  -0.113
  589    HA   ARG  72           HA       ARG  72  -3.130   5.590  -1.886
  590   1HB   ARG  72          1HB       ARG  72  -2.681   5.562   1.007
  591   2HB   ARG  72          2HB       ARG  72  -4.022   6.588   0.520
  592   1HG   ARG  72          1HG       ARG  72  -4.100   4.049  -0.847
  593   2HG   ARG  72          2HG       ARG  72  -4.069   3.841   0.905
  594   1HD   ARG  72          1HD       ARG  72  -6.101   4.807   1.192
  595   2HD   ARG  72          2HD       ARG  72  -5.882   5.922  -0.156
  596    HE   ARG  72           HE       ARG  72  -6.145   3.559  -1.405
  597   1HH1  ARG  72          1HH1      ARG  72  -9.511   4.381   0.601
  598   2HH1  ARG  72          2HH1      ARG  72  -8.017   5.111   1.086
  599   1HH2  ARG  72          1HH2      ARG  72  -8.106   2.591  -2.055
  600   2HH2  ARG  72          2HH2      ARG  72  -9.561   2.948  -1.185
  601    H    LEU  73           H        LEU  73  -2.228   7.348  -3.225
  602    HA   LEU  73           HA       LEU  73  -1.858   9.562  -3.765
  603   1HB   LEU  73          1HB       LEU  73  -4.615   9.420  -2.580
  604   2HB   LEU  73          2HB       LEU  73  -4.000  10.903  -3.283
  605    HG   LEU  73           HG       LEU  73  -3.924   8.395  -4.906
  606   1HD1  LEU  73          1HD1      LEU  73  -6.176   8.773  -5.699
  607   2HD1  LEU  73          2HD1      LEU  73  -6.364  10.138  -4.599
  608   3HD1  LEU  73          3HD1      LEU  73  -6.195   8.504  -3.957
  609   1HD2  LEU  73          1HD2      LEU  73  -4.477  11.251  -5.677
  610   2HD2  LEU  73          2HD2      LEU  73  -4.085   9.902  -6.743
  611   3HD2  LEU  73          3HD2      LEU  73  -2.865  10.537  -5.639
  612    H    ARG  74           H        ARG  74  -0.515   9.039  -1.404
  613    HA   ARG  74           HA       ARG  74   0.311   9.973   0.514
  614   1HB   ARG  74          1HB       ARG  74   1.364  11.518  -0.881
  615   2HB   ARG  74          2HB       ARG  74  -0.151  12.281  -1.344
  616   1HG   ARG  74          1HG       ARG  74  -0.337  13.361   0.779
  617   2HG   ARG  74          2HG       ARG  74   1.040  12.456   1.414
  618   1HD   ARG  74          1HD       ARG  74   2.237  13.570  -0.680
  619   2HD   ARG  74          2HD       ARG  74   0.971  14.774  -0.440
  620    HE   ARG  74           HE       ARG  74   3.267  14.332   1.213
  621   1HH1  ARG  74          1HH1      ARG  74   0.174  16.485   2.566
  622   2HH1  ARG  74          2HH1      ARG  74  -0.026  15.463   1.182
  623   1HH2  ARG  74          1HH2      ARG  74   3.543  15.676   3.036
  624   2HH2  ARG  74          2HH2      ARG  74   2.205  16.607   3.619
  625    H    GLY  75           H        GLY  75  -1.202   9.423   2.063
  626   1HA   GLY  75          1HA       GLY  75  -2.348  11.341   3.620
  627   2HA   GLY  75          2HA       GLY  75  -3.599  10.972   2.442
  628    H    GLY  76           H        GLY  76  -4.759  10.360   4.464
  629   1HA   GLY  76          1HA       GLY  76  -5.476   7.853   4.747
  630   2HA   GLY  76          2HA       GLY  76  -3.926   7.779   5.570
  Start of MODEL    9
    1   1H    MET   1          1H        MET   1   4.971 -20.674  -1.845
    2   2H    MET   1          2H        MET   1   3.663 -21.553  -2.527
    3   3H    MET   1          3H        MET   1   3.362 -20.324  -1.368
    4    HA   MET   1           HA       MET   1   4.409 -20.005  -4.099
    5   1HB   MET   1          1HB       MET   1   2.101 -20.279  -4.251
    6   2HB   MET   1          2HB       MET   1   1.805 -19.507  -2.699
    7   1HG   MET   1          1HG       MET   1   3.005 -17.768  -4.730
    8   2HG   MET   1          2HG       MET   1   1.386 -18.354  -5.111
    9   1HE   MET   1          1HE       MET   1  -0.934 -17.268  -2.775
   10   2HE   MET   1          2HE       MET   1  -0.489 -17.798  -4.397
   11   3HE   MET   1          3HE       MET   1  -0.683 -16.079  -4.052
   12    H    GLN   2           H        GLN   2   5.709 -18.323  -4.383
   13    HA   GLN   2           HA       GLN   2   5.955 -16.336  -2.251
   14   1HB   GLN   2          1HB       GLN   2   7.767 -17.543  -4.156
   15   2HB   GLN   2          2HB       GLN   2   7.850 -15.788  -4.240
   16   1HG   GLN   2          1HG       GLN   2   8.748 -15.588  -2.174
   17   2HG   GLN   2          2HG       GLN   2   7.896 -16.996  -1.545
   18   1HE2  GLN   2          1HE2      GLN   2  10.776 -16.090  -1.548
   19   2HE2  GLN   2          2HE2      GLN   2  11.653 -17.470  -2.106
   20    H    LEU   3           H        LEU   3   6.028 -14.076  -2.728
   21    HA   LEU   3           HA       LEU   3   4.798 -13.283  -5.273
   22   1HB   LEU   3          1HB       LEU   3   3.916 -12.195  -2.602
   23   2HB   LEU   3          2HB       LEU   3   3.229 -11.829  -4.173
   24    HG   LEU   3           HG       LEU   3   3.127 -14.539  -2.847
   25   1HD1  LEU   3          1HD1      LEU   3   1.810 -12.648  -1.761
   26   2HD1  LEU   3          2HD1      LEU   3   0.911 -14.091  -2.228
   27   3HD1  LEU   3          3HD1      LEU   3   0.832 -12.642  -3.229
   28   1HD2  LEU   3          1HD2      LEU   3   1.166 -14.484  -4.721
   29   2HD2  LEU   3          2HD2      LEU   3   2.771 -15.172  -4.972
   30   3HD2  LEU   3          3HD2      LEU   3   2.420 -13.529  -5.511
   31    H    PHE   4           H        PHE   4   5.766 -11.584  -6.187
   32    HA   PHE   4           HA       PHE   4   7.821 -10.183  -4.648
   33   1HB   PHE   4          1HB       PHE   4   7.302 -10.138  -7.627
   34   2HB   PHE   4          2HB       PHE   4   8.702  -9.462  -6.800
   35    HD1  PHE   4           HD1      PHE   4   9.325 -11.183  -8.929
   36    HD2  PHE   4           HD2      PHE   4   8.200 -12.232  -4.952
   37    HE1  PHE   4           HE1      PHE   4  10.504 -13.335  -9.167
   38    HE2  PHE   4           HE2      PHE   4   9.377 -14.385  -5.182
   39    HZ   PHE   4           HZ       PHE   4  10.532 -14.938  -7.291
   40    H    VAL   5           H        VAL   5   7.105  -8.432  -3.622
   41    HA   VAL   5           HA       VAL   5   5.115  -6.722  -4.943
   42    HB   VAL   5           HB       VAL   5   5.991  -6.495  -2.072
   43   1HG1  VAL   5          1HG1      VAL   5   3.363  -5.781  -2.232
   44   2HG1  VAL   5          2HG1      VAL   5   3.985  -5.232  -3.788
   45   3HG1  VAL   5          3HG1      VAL   5   4.724  -4.660  -2.292
   46   1HG2  VAL   5          1HG2      VAL   5   3.880  -8.282  -3.258
   47   2HG2  VAL   5          2HG2      VAL   5   3.901  -7.810  -1.559
   48   3HG2  VAL   5          3HG2      VAL   5   5.241  -8.737  -2.233
   49    H    LYS   6           H        LYS   6   6.192  -5.321  -6.220
   50    HA   LYS   6           HA       LYS   6   8.604  -4.014  -5.221
   51   1HB   LYS   6          1HB       LYS   6   8.890  -3.184  -7.478
   52   2HB   LYS   6          2HB       LYS   6   8.572  -4.912  -7.527
   53   1HG   LYS   6          1HG       LYS   6   6.917  -4.550  -8.945
   54   2HG   LYS   6          2HG       LYS   6   6.077  -3.608  -7.711
   55   1HD   LYS   6          1HD       LYS   6   6.247  -1.993  -9.299
   56   2HD   LYS   6          2HD       LYS   6   7.815  -1.757  -8.525
   57   1HE   LYS   6          1HE       LYS   6   8.956  -2.545 -10.303
   58   2HE   LYS   6          2HE       LYS   6   7.757  -3.791 -10.649
   59   1HZ   LYS   6          1HZ       LYS   6   6.646  -1.255 -11.167
   60   2HZ   LYS   6          2HZ       LYS   6   6.924  -2.528 -12.246
   61   3HZ   LYS   6          3HZ       LYS   6   8.131  -1.375 -11.971
   62    H    THR   7           H        THR   7   8.814  -1.772  -5.025
   63    HA   THR   7           HA       THR   7   6.258  -0.360  -4.691
   64    HB   THR   7           HB       THR   7   7.430   1.118  -3.152
   65    HG1  THR   7           HG1      THR   7   9.597   0.168  -4.385
   66   1HG2  THR   7          1HG2      THR   7   6.888  -0.395  -1.628
   67   2HG2  THR   7          2HG2      THR   7   8.548  -0.977  -1.752
   68   3HG2  THR   7          3HG2      THR   7   7.274  -1.734  -2.708
   69    H    LEU   8           H        LEU   8   6.900   2.213  -4.747
   70    HA   LEU   8           HA       LEU   8   7.388   2.699  -7.535
   71   1HB   LEU   8          1HB       LEU   8   6.497   4.280  -5.196
   72   2HB   LEU   8          2HB       LEU   8   7.287   5.173  -6.480
   73    HG   LEU   8           HG       LEU   8   4.857   5.201  -6.740
   74   1HD1  LEU   8          1HD1      LEU   8   6.416   5.182  -8.714
   75   2HD1  LEU   8          2HD1      LEU   8   4.766   4.653  -9.043
   76   3HD1  LEU   8          3HD1      LEU   8   6.057   3.463  -8.881
   77   1HD2  LEU   8          1HD2      LEU   8   3.698   3.085  -7.360
   78   2HD2  LEU   8          2HD2      LEU   8   4.240   3.148  -5.682
   79   3HD2  LEU   8          3HD2      LEU   8   5.146   2.206  -6.867
   80    H    THR   9           H        THR   9   9.351   2.445  -4.808
   81    HA   THR   9           HA       THR   9  11.383   4.290  -5.779
   82    HB   THR   9           HB       THR   9  12.405   4.092  -3.716
   83    HG1  THR   9           HG1      THR   9  12.872   2.000  -3.499
   84   1HG2  THR   9          1HG2      THR   9  10.748   4.847  -2.473
   85   2HG2  THR   9          2HG2      THR   9  10.170   3.197  -2.235
   86   3HG2  THR   9          3HG2      THR   9   9.577   4.154  -3.594
   87    H    GLY  10           H        GLY  10  10.509   1.057  -6.191
   88   1HA   GLY  10          1HA       GLY  10  11.692  -0.161  -7.942
   89   2HA   GLY  10          2HA       GLY  10  13.192   0.460  -7.270
   90    H    LYS  11           H        LYS  11  13.050  -0.050  -4.649
   91    HA   LYS  11           HA       LYS  11  13.892  -2.574  -4.263
   92   1HB   LYS  11          1HB       LYS  11  12.373  -0.738  -2.443
   93   2HB   LYS  11          2HB       LYS  11  12.822  -2.346  -1.893
   94   1HG   LYS  11          1HG       LYS  11  15.191  -1.791  -2.458
   95   2HG   LYS  11          2HG       LYS  11  14.662  -0.136  -2.773
   96   1HD   LYS  11          1HD       LYS  11  15.013   0.257  -0.606
   97   2HD   LYS  11          2HD       LYS  11  13.576  -0.719  -0.296
   98   1HE   LYS  11          1HE       LYS  11  14.840  -2.641   0.147
   99   2HE   LYS  11          2HE       LYS  11  16.286  -1.969  -0.608
  100   1HZ   LYS  11          1HZ       LYS  11  16.859  -0.895   1.258
  101   2HZ   LYS  11          2HZ       LYS  11  15.849  -2.011   2.029
  102   3HZ   LYS  11          3HZ       LYS  11  15.270  -0.468   1.648
  103    H    THR  12           H        THR  12  13.095  -4.584  -4.250
  104    HA   THR  12           HA       THR  12  10.170  -4.895  -4.428
  105    HB   THR  12           HB       THR  12  12.272  -6.781  -5.504
  106    HG1  THR  12           HG1      THR  12  12.221  -4.708  -6.570
  107   1HG2  THR  12          1HG2      THR  12   9.846  -6.947  -6.919
  108   2HG2  THR  12          2HG2      THR  12   9.455  -7.038  -5.202
  109   3HG2  THR  12          3HG2      THR  12  10.609  -8.172  -5.906
  110    H    LEU  13           H        LEU  13   9.153  -6.190  -3.012
  111    HA   LEU  13           HA       LEU  13  10.775  -7.414  -0.910
  112   1HB   LEU  13          1HB       LEU  13   8.027  -6.350  -1.105
  113   2HB   LEU  13          2HB       LEU  13   8.223  -7.757  -0.079
  114    HG   LEU  13           HG       LEU  13   9.481  -5.042   0.230
  115   1HD1  LEU  13          1HD1      LEU  13   8.195  -4.822   2.082
  116   2HD1  LEU  13          2HD1      LEU  13   8.218  -6.549   2.442
  117   3HD1  LEU  13          3HD1      LEU  13   7.155  -5.925   1.181
  118   1HD2  LEU  13          1HD2      LEU  13  11.336  -6.072   0.937
  119   2HD2  LEU  13          2HD2      LEU  13  10.545  -7.646   1.018
  120   3HD2  LEU  13          3HD2      LEU  13  10.383  -6.506   2.355
  121    H    THR  14           H        THR  14  10.158  -9.545  -0.080
  122    HA   THR  14           HA       THR  14   8.910 -11.279  -2.097
  123    HB   THR  14           HB       THR  14  11.367 -12.115  -0.569
  124    HG1  THR  14           HG1      THR  14  11.166 -10.497  -2.786
  125   1HG2  THR  14          1HG2      THR  14   9.904 -13.202  -2.942
  126   2HG2  THR  14          2HG2      THR  14  10.351 -14.016  -1.443
  127   3HG2  THR  14          3HG2      THR  14  11.593 -13.602  -2.625
  128    H    VAL  15           H        VAL  15   7.105 -11.903  -1.080
  129    HA   VAL  15           HA       VAL  15   7.376 -12.977   1.653
  130    HB   VAL  15           HB       VAL  15   4.895 -12.438   1.867
  131   1HG1  VAL  15          1HG1      VAL  15   6.131 -11.085   3.213
  132   2HG1  VAL  15          2HG1      VAL  15   5.520  -9.868   2.092
  133   3HG1  VAL  15          3HG1      VAL  15   7.150 -10.512   1.892
  134   1HG2  VAL  15          1HG2      VAL  15   5.513 -10.614  -0.455
  135   2HG2  VAL  15          2HG2      VAL  15   4.004 -10.685   0.454
  136   3HG2  VAL  15          3HG2      VAL  15   4.501 -12.056  -0.538
  137    H    GLU  16           H        GLU  16   6.259 -14.869   2.154
  138    HA   GLU  16           HA       GLU  16   5.394 -16.414  -0.192
  139   1HB   GLU  16          1HB       GLU  16   5.685 -18.097   2.076
  140   2HB   GLU  16          2HB       GLU  16   6.665 -18.060   0.617
  141   1HG   GLU  16          1HG       GLU  16   8.240 -17.750   2.254
  142   2HG   GLU  16          2HG       GLU  16   7.875 -16.088   1.789
  143    H    LEU  17           H        LEU  17   3.282 -16.527  -0.453
  144    HA   LEU  17           HA       LEU  17   1.597 -16.977   1.906
  145   1HB   LEU  17          1HB       LEU  17   1.476 -14.749   0.000
  146   2HB   LEU  17          2HB       LEU  17  -0.062 -15.538   0.296
  147    HG   LEU  17           HG       LEU  17   1.297 -15.041   2.790
  148   1HD1  LEU  17          1HD1      LEU  17   2.401 -13.231   1.677
  149   2HD1  LEU  17          2HD1      LEU  17   1.128 -12.572   2.704
  150   3HD1  LEU  17          3HD1      LEU  17   0.883 -12.688   0.963
  151   1HD2  LEU  17          1HD2      LEU  17  -1.315 -14.852   1.590
  152   2HD2  LEU  17          2HD2      LEU  17  -0.970 -13.447   2.596
  153   3HD2  LEU  17          3HD2      LEU  17  -0.867 -15.069   3.281
  154    H    GLU  18           H        GLU  18  -0.784 -17.394   0.963
  155    HA   GLU  18           HA       GLU  18  -0.502 -19.350  -1.220
  156   1HB   GLU  18          1HB       GLU  18  -2.065 -19.554   1.350
  157   2HB   GLU  18          2HB       GLU  18  -2.367 -20.604  -0.025
  158   1HG   GLU  18          1HG       GLU  18   0.439 -20.497   0.700
  159   2HG   GLU  18          2HG       GLU  18  -0.587 -21.057   2.020
  160    HA   PRO  19           HA       PRO  19  -3.847 -17.396  -3.304
  161   1HB   PRO  19          1HB       PRO  19  -5.324 -19.506  -4.201
  162   2HB   PRO  19          2HB       PRO  19  -3.782 -19.025  -4.915
  163   1HG   PRO  19          1HG       PRO  19  -4.360 -21.198  -2.938
  164   2HG   PRO  19          2HG       PRO  19  -3.298 -21.231  -4.359
  165   1HD   PRO  19          1HD       PRO  19  -2.340 -20.918  -1.857
  166   2HD   PRO  19          2HD       PRO  19  -1.587 -20.132  -3.260
  167    H    SER  20           H        SER  20  -4.355 -19.198  -0.511
  168    HA   SER  20           HA       SER  20  -7.234 -18.817  -0.432
  169   1HB   SER  20          1HB       SER  20  -6.863 -19.815   1.942
  170   2HB   SER  20          2HB       SER  20  -6.648 -20.861   0.539
  171    HG   SER  20           HG       SER  20  -4.904 -20.379   2.423
  172    H    ASP  21           H        ASP  21  -4.353 -17.257   0.687
  173    HA   ASP  21           HA       ASP  21  -5.478 -15.824   2.856
  174   1HB   ASP  21          1HB       ASP  21  -3.076 -15.244   1.116
  175   2HB   ASP  21          2HB       ASP  21  -3.489 -14.326   2.561
  176    H    THR  22           H        THR  22  -5.529 -13.352   2.821
  177    HA   THR  22           HA       THR  22  -6.812 -12.423   0.338
  178    HB   THR  22           HB       THR  22  -8.552 -11.406   1.503
  179    HG1  THR  22           HG1      THR  22  -7.533 -10.288   3.078
  180   1HG2  THR  22          1HG2      THR  22  -8.098 -13.662   3.412
  181   2HG2  THR  22          2HG2      THR  22  -8.553 -13.952   1.733
  182   3HG2  THR  22          3HG2      THR  22  -9.617 -13.019   2.787
  183    H    VAL  23           H        VAL  23  -6.907 -10.000   0.206
  184    HA   VAL  23           HA       VAL  23  -4.429  -8.860   0.124
  185    HB   VAL  23           HB       VAL  23  -7.078  -7.484   0.576
  186   1HG1  VAL  23          1HG1      VAL  23  -5.221  -5.779  -0.714
  187   2HG1  VAL  23          2HG1      VAL  23  -4.457  -6.393   0.752
  188   3HG1  VAL  23          3HG1      VAL  23  -6.008  -5.560   0.849
  189   1HG2  VAL  23          1HG2      VAL  23  -5.434  -8.001  -1.899
  190   2HG2  VAL  23          2HG2      VAL  23  -6.879  -6.991  -1.845
  191   3HG2  VAL  23          3HG2      VAL  23  -6.994  -8.715  -1.493
  192    H    GLU  24           H        GLU  24  -6.768  -8.606   2.790
  193    HA   GLU  24           HA       GLU  24  -5.486  -6.895   4.484
  194   1HB   GLU  24          1HB       GLU  24  -7.662  -8.455   4.722
  195   2HB   GLU  24          2HB       GLU  24  -6.557  -9.355   5.752
  196   1HG   GLU  24          1HG       GLU  24  -6.559  -6.476   6.244
  197   2HG   GLU  24          2HG       GLU  24  -8.110  -7.261   6.543
  198    H    ASN  25           H        ASN  25  -4.950 -10.413   4.306
  199    HA   ASN  25           HA       ASN  25  -2.940 -10.578   6.229
  200   1HB   ASN  25          1HB       ASN  25  -3.243 -12.255   3.727
  201   2HB   ASN  25          2HB       ASN  25  -2.303 -12.689   5.153
  202   1HD2  ASN  25          1HD2      ASN  25  -3.393 -13.194   7.081
  203   2HD2  ASN  25          2HD2      ASN  25  -5.051 -13.680   7.074
  204    H    LEU  26           H        LEU  26  -2.590 -10.325   2.690
  205    HA   LEU  26           HA       LEU  26   0.148 -10.194   2.508
  206   1HB   LEU  26          1HB       LEU  26  -1.270 -10.271   0.547
  207   2HB   LEU  26          2HB       LEU  26  -1.914  -8.681   0.907
  208    HG   LEU  26           HG       LEU  26   0.036  -7.591   0.237
  209   1HD1  LEU  26          1HD1      LEU  26   1.814  -8.549   1.305
  210   2HD1  LEU  26          2HD1      LEU  26   2.098  -9.119  -0.340
  211   3HD1  LEU  26          3HD1      LEU  26   1.350 -10.188   0.847
  212   1HD2  LEU  26          1HD2      LEU  26   0.724  -9.236  -1.855
  213   2HD2  LEU  26          2HD2      LEU  26  -0.590  -8.060  -1.854
  214   3HD2  LEU  26          3HD2      LEU  26  -0.919  -9.749  -1.470
  215    H    LYS  27           H        LYS  27  -2.057  -7.411   2.832
  216    HA   LYS  27           HA       LYS  27  -0.129  -5.421   3.039
  217   1HB   LYS  27          1HB       LYS  27  -2.788  -5.470   4.474
  218   2HB   LYS  27          2HB       LYS  27  -1.848  -4.046   4.053
  219   1HG   LYS  27          1HG       LYS  27  -2.310  -5.531   1.678
  220   2HG   LYS  27          2HG       LYS  27  -3.842  -5.356   2.536
  221   1HD   LYS  27          1HD       LYS  27  -3.500  -2.941   2.667
  222   2HD   LYS  27          2HD       LYS  27  -1.956  -3.109   1.831
  223   1HE   LYS  27          1HE       LYS  27  -3.026  -3.833  -0.168
  224   2HE   LYS  27          2HE       LYS  27  -4.579  -4.001   0.652
  225   1HZ   LYS  27          1HZ       LYS  27  -5.013  -1.834   0.433
  226   2HZ   LYS  27          2HZ       LYS  27  -3.816  -1.845  -0.762
  227   3HZ   LYS  27          3HZ       LYS  27  -3.434  -1.359   0.812
  228    H    ALA  28           H        ALA  28  -1.768  -7.182   5.669
  229    HA   ALA  28           HA       ALA  28  -0.674  -6.074   7.881
  230   1HB   ALA  28          1HB       ALA  28  -2.007  -7.755   8.560
  231   2HB   ALA  28          2HB       ALA  28  -0.509  -8.685   8.590
  232   3HB   ALA  28          3HB       ALA  28  -1.581  -8.783   7.193
  233    H    LYS  29           H        LYS  29   0.899  -8.443   5.768
  234    HA   LYS  29           HA       LYS  29   3.272  -8.678   7.293
  235   1HB   LYS  29          1HB       LYS  29   2.452  -9.389   4.513
  236   2HB   LYS  29          2HB       LYS  29   4.167  -9.379   4.899
  237   1HG   LYS  29          1HG       LYS  29   3.618 -10.908   6.829
  238   2HG   LYS  29          2HG       LYS  29   2.005 -11.063   6.130
  239   1HD   LYS  29          1HD       LYS  29   3.541 -11.550   3.957
  240   2HD   LYS  29          2HD       LYS  29   4.573 -12.192   5.237
  241   1HE   LYS  29          1HE       LYS  29   2.074 -13.143   5.900
  242   2HE   LYS  29          2HE       LYS  29   2.088 -13.237   4.140
  243   1HZ   LYS  29          1HZ       LYS  29   3.042 -15.216   4.624
  244   2HZ   LYS  29          2HZ       LYS  29   3.704 -14.689   6.087
  245   3HZ   LYS  29          3HZ       LYS  29   4.447 -14.274   4.626
  246    H    ILE  30           H        ILE  30   2.419  -6.697   4.474
  247    HA   ILE  30           HA       ILE  30   4.891  -5.493   4.039
  248    HB   ILE  30           HB       ILE  30   2.199  -4.174   3.682
  249   1HG1  ILE  30          1HG1      ILE  30   3.755  -6.029   1.872
  250   2HG1  ILE  30          2HG1      ILE  30   2.160  -6.310   2.562
  251   1HG2  ILE  30          1HG2      ILE  30   3.226  -2.529   2.558
  252   2HG2  ILE  30          2HG2      ILE  30   4.359  -3.635   1.780
  253   3HG2  ILE  30          3HG2      ILE  30   4.670  -3.062   3.419
  254   1HD1  ILE  30          1HD1      ILE  30   2.165  -3.874   1.052
  255   2HD1  ILE  30          2HD1      ILE  30   1.188  -5.327   0.839
  256   3HD1  ILE  30          3HD1      ILE  30   2.773  -5.210   0.074
  257    H    GLN  31           H        GLN  31   2.454  -4.836   6.454
  258    HA   GLN  31           HA       GLN  31   3.531  -2.305   7.255
  259   1HB   GLN  31          1HB       GLN  31   1.189  -2.777   7.647
  260   2HB   GLN  31          2HB       GLN  31   1.597  -4.183   8.619
  261   1HG   GLN  31          1HG       GLN  31   2.735  -2.648  10.222
  262   2HG   GLN  31          2HG       GLN  31   2.092  -1.295   9.291
  263   1HE2  GLN  31          1HE2      GLN  31   1.520  -1.614  11.963
  264   2HE2  GLN  31          2HE2      GLN  31  -0.154  -1.997  12.149
  265    H    ASP  32           H        ASP  32   3.925  -5.645   8.263
  266    HA   ASP  32           HA       ASP  32   5.598  -4.888  10.511
  267   1HB   ASP  32          1HB       ASP  32   4.055  -7.176   9.793
  268   2HB   ASP  32          2HB       ASP  32   5.718  -7.673  10.077
  269    H    LYS  33           H        LYS  33   6.030  -5.281   7.246
  270    HA   LYS  33           HA       LYS  33   8.786  -6.257   7.536
  271   1HB   LYS  33          1HB       LYS  33   6.957  -6.072   5.144
  272   2HB   LYS  33          2HB       LYS  33   8.670  -6.449   5.011
  273   1HG   LYS  33          1HG       LYS  33   7.016  -8.077   6.865
  274   2HG   LYS  33          2HG       LYS  33   6.838  -8.337   5.129
  275   1HD   LYS  33          1HD       LYS  33   9.618  -8.164   5.783
  276   2HD   LYS  33          2HD       LYS  33   8.841  -9.342   6.843
  277   1HE   LYS  33          1HE       LYS  33   7.859  -9.702   4.192
  278   2HE   LYS  33          2HE       LYS  33   9.621  -9.655   4.141
  279   1HZ   LYS  33          1HZ       LYS  33   9.780 -11.604   5.200
  280   2HZ   LYS  33          2HZ       LYS  33   8.173 -11.835   4.725
  281   3HZ   LYS  33          3HZ       LYS  33   8.521 -11.259   6.277
  282    H    GLU  34           H        GLU  34   6.989  -3.828   5.636
  283    HA   GLU  34           HA       GLU  34   9.383  -2.116   5.741
  284   1HB   GLU  34          1HB       GLU  34   7.468  -2.749   3.604
  285   2HB   GLU  34          2HB       GLU  34   7.822  -1.034   3.768
  286   1HG   GLU  34          1HG       GLU  34  10.052  -3.015   3.668
  287   2HG   GLU  34          2HG       GLU  34   9.247  -2.508   2.184
  288    H    GLY  35           H        GLY  35   7.329  -2.311   7.803
  289   1HA   GLY  35          1HA       GLY  35   5.860  -0.990   9.006
  290   2HA   GLY  35          2HA       GLY  35   7.056   0.246   8.648
  291    H    ILE  36           H        ILE  36   5.050  -1.331   6.233
  292    HA   ILE  36           HA       ILE  36   3.903   1.282   5.573
  293    HB   ILE  36           HB       ILE  36   3.595  -1.207   3.918
  294   1HG1  ILE  36          1HG1      ILE  36   5.927   0.716   3.983
  295   2HG1  ILE  36          2HG1      ILE  36   5.969  -1.026   4.235
  296   1HG2  ILE  36          1HG2      ILE  36   2.691   0.141   2.385
  297   2HG2  ILE  36          2HG2      ILE  36   3.937   1.371   2.606
  298   3HG2  ILE  36          3HG2      ILE  36   2.546   1.319   3.690
  299   1HD1  ILE  36          1HD1      ILE  36   4.950  -0.011   1.640
  300   2HD1  ILE  36          2HD1      ILE  36   5.839  -1.489   2.012
  301   3HD1  ILE  36          3HD1      ILE  36   6.685   0.057   1.953
  302    HA   PRO  37           HA       PRO  37   0.199  -0.233   7.655
  303   1HB   PRO  37          1HB       PRO  37  -0.797   2.459   7.028
  304   2HB   PRO  37          2HB       PRO  37  -0.581   1.683   8.598
  305   1HG   PRO  37          1HG       PRO  37   1.009   3.692   7.784
  306   2HG   PRO  37          2HG       PRO  37   1.619   2.359   8.781
  307   1HD   PRO  37          1HD       PRO  37   1.884   2.788   5.825
  308   2HD   PRO  37          2HD       PRO  37   3.099   2.227   6.994
  309    HA   PRO  38           HA       PRO  38  -2.166  -1.444   4.110
  310   1HB   PRO  38          1HB       PRO  38  -4.429  -1.492   6.034
  311   2HB   PRO  38          2HB       PRO  38  -3.821  -2.772   4.978
  312   1HG   PRO  38          1HG       PRO  38  -3.361  -2.833   7.604
  313   2HG   PRO  38          2HG       PRO  38  -2.125  -3.359   6.445
  314   1HD   PRO  38          1HD       PRO  38  -2.318  -0.803   7.986
  315   2HD   PRO  38          2HD       PRO  38  -0.885  -1.774   7.585
  316    H    ASP  39           H        ASP  39  -3.240   1.094   6.288
  317    HA   ASP  39           HA       ASP  39  -5.378   2.100   4.785
  318   1HB   ASP  39          1HB       ASP  39  -4.139   2.759   7.174
  319   2HB   ASP  39          2HB       ASP  39  -3.836   4.166   6.158
  320    H    GLN  40           H        GLN  40  -1.921   2.563   4.503
  321    HA   GLN  40           HA       GLN  40  -2.364   4.412   2.257
  322   1HB   GLN  40          1HB       GLN  40   0.327   3.994   3.491
  323   2HB   GLN  40          2HB       GLN  40  -0.327   5.421   2.699
  324   1HG   GLN  40          1HG       GLN  40  -1.563   6.042   4.583
  325   2HG   GLN  40          2HG       GLN  40  -1.399   4.449   5.323
  326   1HE2  GLN  40          1HE2      GLN  40  -0.835   6.522   6.873
  327   2HE2  GLN  40          2HE2      GLN  40   0.867   6.691   7.117
  328    H    GLN  41           H        GLN  41  -2.517   1.430   2.260
  329    HA   GLN  41           HA       GLN  41  -0.278   0.789   0.470
  330   1HB   GLN  41          1HB       GLN  41  -2.016  -0.805   2.276
  331   2HB   GLN  41          2HB       GLN  41  -1.470  -1.586   0.799
  332   1HG   GLN  41          1HG       GLN  41   0.862  -1.027   1.432
  333   2HG   GLN  41          2HG       GLN  41   0.250  -0.410   2.966
  334   1HE2  GLN  41          1HE2      GLN  41   0.109  -1.782   4.595
  335   2HE2  GLN  41          2HE2      GLN  41   0.155  -3.505   4.474
  336    H    ARG  42           H        ARG  42  -0.604   0.662  -1.647
  337    HA   ARG  42           HA       ARG  42  -3.320   0.119  -2.638
  338   1HB   ARG  42          1HB       ARG  42  -1.406   2.241  -3.618
  339   2HB   ARG  42          2HB       ARG  42  -2.814   1.715  -4.528
  340   1HG   ARG  42          1HG       ARG  42  -4.293   2.507  -2.824
  341   2HG   ARG  42          2HG       ARG  42  -2.939   2.860  -1.748
  342   1HD   ARG  42          1HD       ARG  42  -2.375   4.762  -2.857
  343   2HD   ARG  42          2HD       ARG  42  -2.906   4.138  -4.418
  344    HE   ARG  42           HE       ARG  42  -5.028   4.698  -2.539
  345   1HH1  ARG  42          1HH1      ARG  42  -4.165   7.151  -5.583
  346   2HH1  ARG  42          2HH1      ARG  42  -3.044   5.911  -5.130
  347   1HH2  ARG  42          1HH2      ARG  42  -6.514   6.328  -3.127
  348   2HH2  ARG  42          2HH2      ARG  42  -6.137   7.388  -4.444
  349    H    LEU  43           H        LEU  43  -2.966  -1.959  -3.265
  350    HA   LEU  43           HA       LEU  43  -0.605  -2.620  -4.831
  351   1HB   LEU  43          1HB       LEU  43  -2.902  -4.398  -4.010
  352   2HB   LEU  43          2HB       LEU  43  -1.361  -4.918  -4.666
  353    HG   LEU  43           HG       LEU  43  -2.007  -3.926  -1.924
  354   1HD1  LEU  43          1HD1      LEU  43  -0.534  -6.245  -3.131
  355   2HD1  LEU  43          2HD1      LEU  43  -1.944  -6.259  -2.071
  356   3HD1  LEU  43          3HD1      LEU  43  -0.361  -5.817  -1.429
  357   1HD2  LEU  43          1HD2      LEU  43  -0.260  -2.427  -2.500
  358   2HD2  LEU  43          2HD2      LEU  43   0.658  -3.700  -3.304
  359   3HD2  LEU  43          3HD2      LEU  43   0.473  -3.720  -1.550
  360    H    ILE  44           H        ILE  44  -0.629  -2.215  -6.933
  361    HA   ILE  44           HA       ILE  44  -3.170  -2.361  -8.395
  362    HB   ILE  44           HB       ILE  44  -0.566  -1.247  -9.427
  363   1HG1  ILE  44          1HG1      ILE  44  -1.239  -0.053  -7.371
  364   2HG1  ILE  44          2HG1      ILE  44  -1.371   0.969  -8.799
  365   1HG2  ILE  44          1HG2      ILE  44  -3.036  -1.791 -10.635
  366   2HG2  ILE  44          2HG2      ILE  44  -1.680  -0.889 -11.312
  367   3HG2  ILE  44          3HG2      ILE  44  -2.960  -0.039 -10.445
  368   1HD1  ILE  44          1HD1      ILE  44  -3.668   0.989  -8.736
  369   2HD1  ILE  44          2HD1      ILE  44  -3.254   0.971  -7.021
  370   3HD1  ILE  44          3HD1      ILE  44  -3.762  -0.516  -7.821
  371    H    PHE  45           H        PHE  45  -2.914  -4.768  -8.193
  372    HA   PHE  45           HA       PHE  45  -0.863  -6.121  -9.606
  373   1HB   PHE  45          1HB       PHE  45  -2.028  -7.346  -7.931
  374   2HB   PHE  45          2HB       PHE  45  -3.593  -6.977  -8.649
  375    HD1  PHE  45           HD1      PHE  45  -4.600  -8.507 -10.060
  376    HD2  PHE  45           HD2      PHE  45  -0.396  -8.740  -9.384
  377    HE1  PHE  45           HE1      PHE  45  -4.517 -10.616 -11.334
  378    HE2  PHE  45           HE2      PHE  45  -0.305 -10.849 -10.657
  379    HZ   PHE  45           HZ       PHE  45  -2.366 -11.790 -11.632
  380    H    ALA  46           H        ALA  46  -0.555  -6.074 -11.721
  381    HA   ALA  46           HA       ALA  46  -0.918  -5.978 -13.965
  382   1HB   ALA  46          1HB       ALA  46  -1.990  -7.855 -14.464
  383   2HB   ALA  46          2HB       ALA  46  -3.523  -7.010 -14.254
  384   3HB   ALA  46          3HB       ALA  46  -2.787  -7.853 -12.891
  385    H    GLY  47           H        GLY  47  -1.956  -3.803 -12.149
  386   1HA   GLY  47          1HA       GLY  47  -2.673  -1.671 -12.897
  387   2HA   GLY  47          2HA       GLY  47  -3.533  -2.451 -14.214
  388    H    LYS  48           H        LYS  48  -4.316  -4.316 -11.709
  389    HA   LYS  48           HA       LYS  48  -6.769  -2.793 -11.192
  390   1HB   LYS  48          1HB       LYS  48  -6.406  -5.422 -11.935
  391   2HB   LYS  48          2HB       LYS  48  -6.676  -5.545 -10.201
  392   1HG   LYS  48          1HG       LYS  48  -8.840  -4.948 -10.359
  393   2HG   LYS  48          2HG       LYS  48  -8.538  -3.792 -11.658
  394   1HD   LYS  48          1HD       LYS  48  -9.839  -5.523 -12.611
  395   2HD   LYS  48          2HD       LYS  48  -8.187  -5.787 -13.174
  396   1HE   LYS  48          1HE       LYS  48  -8.358  -7.870 -12.416
  397   2HE   LYS  48          2HE       LYS  48  -8.353  -7.201 -10.785
  398   1HZ   LYS  48          1HZ       LYS  48 -10.285  -8.380 -10.749
  399   2HZ   LYS  48          2HZ       LYS  48 -10.606  -8.157 -12.394
  400   3HZ   LYS  48          3HZ       LYS  48 -10.887  -6.898 -11.301
  401    H    GLN  49           H        GLN  49  -7.337  -2.127  -9.199
  402    HA   GLN  49           HA       GLN  49  -5.347  -2.331  -7.100
  403   1HB   GLN  49          1HB       GLN  49  -6.964  -0.302  -7.865
  404   2HB   GLN  49          2HB       GLN  49  -7.922  -0.980  -6.556
  405   1HG   GLN  49          1HG       GLN  49  -6.111  -0.678  -5.005
  406   2HG   GLN  49          2HG       GLN  49  -5.043  -0.145  -6.303
  407   1HE2  GLN  49          1HE2      GLN  49  -6.391   1.640  -7.682
  408   2HE2  GLN  49          2HE2      GLN  49  -6.901   2.968  -6.703
  409    H    LEU  50           H        LEU  50  -5.374  -3.891  -5.637
  410    HA   LEU  50           HA       LEU  50  -7.453  -5.774  -5.391
  411   1HB   LEU  50          1HB       LEU  50  -5.346  -5.215  -3.314
  412   2HB   LEU  50          2HB       LEU  50  -6.192  -6.723  -3.602
  413    HG   LEU  50           HG       LEU  50  -4.055  -5.456  -5.303
  414   1HD1  LEU  50          1HD1      LEU  50  -4.221  -8.195  -4.062
  415   2HD1  LEU  50          2HD1      LEU  50  -3.402  -6.820  -3.321
  416   3HD1  LEU  50          3HD1      LEU  50  -2.832  -7.460  -4.863
  417   1HD2  LEU  50          1HD2      LEU  50  -4.733  -7.945  -6.377
  418   2HD2  LEU  50          2HD2      LEU  50  -4.992  -6.359  -7.103
  419   3HD2  LEU  50          3HD2      LEU  50  -6.264  -7.102  -6.135
  420    H    GLU  51           H        GLU  51  -9.149  -5.955  -4.022
  421    HA   GLU  51           HA       GLU  51  -9.712  -3.633  -2.315
  422   1HB   GLU  51          1HB       GLU  51 -11.612  -5.753  -3.332
  423   2HB   GLU  51          2HB       GLU  51 -12.054  -4.305  -2.440
  424   1HG   GLU  51          1HG       GLU  51 -10.506  -3.725  -4.831
  425   2HG   GLU  51          2HG       GLU  51 -12.010  -4.582  -5.171
  426    H    ASP  52           H        ASP  52  -9.549  -3.839  -0.187
  427    HA   ASP  52           HA       ASP  52  -8.702  -6.094   1.149
  428   1HB   ASP  52          1HB       ASP  52  -8.541  -3.952   2.213
  429   2HB   ASP  52          2HB       ASP  52 -10.288  -3.732   2.163
  430    H    GLY  53           H        GLY  53  -9.689  -8.013   1.059
  431   1HA   GLY  53          1HA       GLY  53 -11.582  -9.084   2.426
  432   2HA   GLY  53          2HA       GLY  53 -12.614  -8.104   1.396
  433    H    ARG  54           H        ARG  54 -10.257  -8.776  -0.639
  434    HA   ARG  54           HA       ARG  54 -11.620 -11.164  -1.660
  435   1HB   ARG  54          1HB       ARG  54  -9.636  -9.487  -3.181
  436   2HB   ARG  54          2HB       ARG  54 -10.867 -10.570  -3.819
  437   1HG   ARG  54          1HG       ARG  54 -11.660  -8.163  -2.237
  438   2HG   ARG  54          2HG       ARG  54 -11.224  -8.012  -3.941
  439   1HD   ARG  54          1HD       ARG  54 -13.154 -10.138  -3.189
  440   2HD   ARG  54          2HD       ARG  54 -13.717  -8.467  -3.155
  441    HE   ARG  54           HE       ARG  54 -12.414  -8.875  -5.583
  442   1HH1  ARG  54          1HH1      ARG  54 -16.149 -10.301  -5.362
  443   2HH1  ARG  54          2HH1      ARG  54 -15.254 -10.000  -3.909
  444   1HH2  ARG  54          1HH2      ARG  54 -13.585  -9.268  -7.503
  445   2HH2  ARG  54          2HH2      ARG  54 -15.201  -9.886  -7.404
  446    H    THR  55           H        THR  55 -10.443 -12.969  -2.403
  447    HA   THR  55           HA       THR  55  -7.954 -13.393  -0.951
  448    HB   THR  55           HB       THR  55  -8.256 -15.745  -1.480
  449    HG1  THR  55           HG1      THR  55  -9.125 -15.931  -3.421
  450   1HG2  THR  55          1HG2      THR  55  -9.532 -15.578   0.356
  451   2HG2  THR  55          2HG2      THR  55 -10.843 -15.878  -0.785
  452   3HG2  THR  55          3HG2      THR  55 -10.471 -14.228  -0.285
  453    H    LEU  56           H        LEU  56  -6.018 -14.009  -1.899
  454    HA   LEU  56           HA       LEU  56  -5.172 -12.772  -4.174
  455   1HB   LEU  56          1HB       LEU  56  -4.164 -15.434  -3.170
  456   2HB   LEU  56          2HB       LEU  56  -3.290 -14.331  -4.214
  457    HG   LEU  56           HG       LEU  56  -4.090 -13.789  -1.353
  458   1HD1  LEU  56          1HD1      LEU  56  -1.290 -14.003  -2.374
  459   2HD1  LEU  56          2HD1      LEU  56  -2.189 -15.453  -1.929
  460   3HD1  LEU  56          3HD1      LEU  56  -1.902 -14.191  -0.731
  461   1HD2  LEU  56          1HD2      LEU  56  -3.559 -11.645  -1.640
  462   2HD2  LEU  56          2HD2      LEU  56  -3.666 -11.953  -3.373
  463   3HD2  LEU  56          3HD2      LEU  56  -2.105 -12.046  -2.555
  464    H    SER  57           H        SER  57  -6.591 -15.998  -3.917
  465    HA   SER  57           HA       SER  57  -6.192 -16.794  -6.584
  466   1HB   SER  57          1HB       SER  57  -6.790 -18.549  -5.176
  467   2HB   SER  57          2HB       SER  57  -8.083 -17.627  -4.409
  468    HG   SER  57           HG       SER  57  -8.655 -19.342  -6.012
  469    H    ASP  58           H        ASP  58  -8.785 -14.984  -5.023
  470    HA   ASP  58           HA       ASP  58 -10.664 -14.966  -7.063
  471   1HB   ASP  58          1HB       ASP  58  -9.973 -12.908  -4.970
  472   2HB   ASP  58          2HB       ASP  58 -11.316 -12.692  -6.088
  473    H    TYR  59           H        TYR  59  -7.690 -13.162  -6.735
  474    HA   TYR  59           HA       TYR  59  -8.308 -11.548  -9.091
  475   1HB   TYR  59          1HB       TYR  59  -6.140 -11.458  -7.008
  476   2HB   TYR  59          2HB       TYR  59  -5.968 -10.583  -8.526
  477    HD1  TYR  59           HD1      TYR  59  -8.351  -9.285  -9.118
  478    HD2  TYR  59           HD2      TYR  59  -6.786 -10.135  -5.244
  479    HE1  TYR  59           HE1      TYR  59  -9.654  -7.412  -8.188
  480    HE2  TYR  59           HE2      TYR  59  -8.086  -8.264  -4.303
  481    HH   TYR  59           HH       TYR  59  -9.879  -6.050  -6.362
  482    H    ASN  60           H        ASN  60  -7.742 -14.502  -9.107
  483    HA   ASN  60           HA       ASN  60  -6.405 -16.043 -10.171
  484   1HB   ASN  60          1HB       ASN  60  -6.020 -15.342 -12.609
  485   2HB   ASN  60          2HB       ASN  60  -7.685 -15.393 -12.040
  486   1HD2  ASN  60          1HD2      ASN  60  -8.889 -13.604 -12.146
  487   2HD2  ASN  60          2HD2      ASN  60  -8.315 -12.054 -12.646
  488    H    LEU  61           H        LEU  61  -4.737 -15.056  -8.462
  489    HA   LEU  61           HA       LEU  61  -2.451 -13.829  -9.775
  490   1HB   LEU  61          1HB       LEU  61  -3.385 -14.178  -7.027
  491   2HB   LEU  61          2HB       LEU  61  -1.662 -14.449  -7.210
  492    HG   LEU  61           HG       LEU  61  -2.418 -12.049  -8.603
  493   1HD1  LEU  61          1HD1      LEU  61  -3.507 -12.422  -5.855
  494   2HD1  LEU  61          2HD1      LEU  61  -4.191 -11.560  -7.234
  495   3HD1  LEU  61          3HD1      LEU  61  -2.863 -10.846  -6.318
  496   1HD2  LEU  61          1HD2      LEU  61  -0.860 -11.296  -6.504
  497   2HD2  LEU  61          2HD2      LEU  61  -0.254 -11.923  -8.037
  498   3HD2  LEU  61          3HD2      LEU  61  -0.449 -13.004  -6.657
  499    H    GLN  62           H        GLN  62  -0.657 -14.866 -10.404
  500    HA   GLN  62           HA       GLN  62  -0.571 -17.769 -10.039
  501   1HB   GLN  62          1HB       GLN  62   1.133 -16.057 -11.852
  502   2HB   GLN  62          2HB       GLN  62   0.980 -17.808 -11.888
  503   1HG   GLN  62          1HG       GLN  62  -1.241 -17.688 -12.695
  504   2HG   GLN  62          2HG       GLN  62  -1.332 -15.956 -12.382
  505   1HE2  GLN  62          1HE2      GLN  62   0.074 -18.426 -14.418
  506   2HE2  GLN  62          2HE2      GLN  62   0.466 -17.388 -15.741
  507    H    LYS  63           H        LYS  63   1.816 -18.624  -9.999
  508    HA   LYS  63           HA       LYS  63   2.912 -17.879  -7.513
  509   1HB   LYS  63          1HB       LYS  63   3.187 -20.021  -9.220
  510   2HB   LYS  63          2HB       LYS  63   4.761 -19.248  -9.326
  511   1HG   LYS  63          1HG       LYS  63   5.360 -19.974  -7.313
  512   2HG   LYS  63          2HG       LYS  63   3.831 -19.471  -6.588
  513   1HD   LYS  63          1HD       LYS  63   2.948 -21.531  -6.732
  514   2HD   LYS  63          2HD       LYS  63   3.620 -21.809  -8.340
  515   1HE   LYS  63          1HE       LYS  63   5.579 -21.740  -6.146
  516   2HE   LYS  63          2HE       LYS  63   4.440 -23.086  -6.099
  517   1HZ   LYS  63          1HZ       LYS  63   5.067 -23.560  -8.433
  518   2HZ   LYS  63          2HZ       LYS  63   6.345 -23.747  -7.342
  519   3HZ   LYS  63          3HZ       LYS  63   6.268 -22.373  -8.326
  520    H    GLU  64           H        GLU  64   4.636 -16.624  -6.953
  521    HA   GLU  64           HA       GLU  64   6.044 -14.839  -7.091
  522   1HB   GLU  64          1HB       GLU  64   6.989 -15.789  -9.760
  523   2HB   GLU  64          2HB       GLU  64   7.920 -15.190  -8.394
  524   1HG   GLU  64          1HG       GLU  64   7.138 -17.362  -7.225
  525   2HG   GLU  64          2HG       GLU  64   6.793 -17.915  -8.864
  526    H    SER  65           H        SER  65   3.657 -13.958  -7.732
  527    HA   SER  65           HA       SER  65   3.518 -12.799 -10.356
  528   1HB   SER  65          1HB       SER  65   1.844 -12.452  -7.866
  529   2HB   SER  65          2HB       SER  65   1.520 -11.585  -9.366
  530    HG   SER  65           HG       SER  65   0.311 -13.372  -9.550
  531    H    THR  66           H        THR  66   3.214 -10.433 -10.662
  532    HA   THR  66           HA       THR  66   5.113  -8.941  -8.975
  533    HB   THR  66           HB       THR  66   4.384  -8.280 -11.827
  534    HG1  THR  66           HG1      THR  66   5.449 -10.041 -12.262
  535   1HG2  THR  66          1HG2      THR  66   6.896  -7.434 -11.537
  536   2HG2  THR  66          2HG2      THR  66   6.332  -7.236  -9.877
  537   3HG2  THR  66          3HG2      THR  66   5.491  -6.425 -11.197
  538    H    ILE  67           H        ILE  67   4.076  -7.632  -7.622
  539    HA   ILE  67           HA       ILE  67   1.678  -6.221  -8.598
  540    HB   ILE  67           HB       ILE  67   2.335  -6.818  -5.713
  541   1HG1  ILE  67          1HG1      ILE  67   0.029  -8.221  -6.723
  542   2HG1  ILE  67          2HG1      ILE  67   1.444  -8.620  -7.693
  543   1HG2  ILE  67          1HG2      ILE  67  -0.199  -5.853  -7.033
  544   2HG2  ILE  67          2HG2      ILE  67   0.908  -4.871  -6.073
  545   3HG2  ILE  67          3HG2      ILE  67   0.012  -6.187  -5.314
  546   1HD1  ILE  67          1HD1      ILE  67   0.871  -9.197  -4.846
  547   2HD1  ILE  67          2HD1      ILE  67   2.547  -8.928  -5.321
  548   3HD1  ILE  67          3HD1      ILE  67   1.610 -10.211  -6.085
  549    H    HIS  68           H        HIS  68   1.476  -4.031  -8.206
  550    HA   HIS  68           HA       HIS  68   3.965  -2.678  -7.437
  551   1HB   HIS  68          1HB       HIS  68   1.576  -1.509  -8.875
  552   2HB   HIS  68          2HB       HIS  68   3.159  -0.763  -8.670
  553    HD1  HIS  68           HD1      HIS  68   2.830  -0.674 -11.407
  554    HD2  HIS  68           HD2      HIS  68   3.664  -4.362  -9.680
  555    HE1  HIS  68           HE1      HIS  68   3.668  -2.122 -13.284
  556    HE2  HIS  68           HE2      HIS  68   4.084  -4.373 -12.233
  557    H    LEU  69           H        LEU  69   4.090  -1.514  -5.626
  558    HA   LEU  69           HA       LEU  69   1.635  -1.145  -4.060
  559   1HB   LEU  69          1HB       LEU  69   3.620  -2.401  -3.111
  560   2HB   LEU  69          2HB       LEU  69   4.474  -0.870  -3.092
  561    HG   LEU  69           HG       LEU  69   1.842  -1.170  -1.679
  562   1HD1  LEU  69          1HD1      LEU  69   3.217  -1.612   0.384
  563   2HD1  LEU  69          2HD1      LEU  69   4.562  -1.988  -0.693
  564   3HD1  LEU  69          3HD1      LEU  69   3.090  -2.955  -0.753
  565   1HD2  LEU  69          1HD2      LEU  69   3.660   0.464  -0.307
  566   2HD2  LEU  69          2HD2      LEU  69   2.237   0.962  -1.221
  567   3HD2  LEU  69          3HD2      LEU  69   3.811   0.885  -2.013
  568    H    VAL  70           H        VAL  70   0.736   0.775  -4.056
  569    HA   VAL  70           HA       VAL  70   2.454   3.142  -4.419
  570    HB   VAL  70           HB       VAL  70  -0.366   3.583  -5.014
  571   1HG1  VAL  70          1HG1      VAL  70   1.691   3.962  -7.081
  572   2HG1  VAL  70          2HG1      VAL  70   1.981   4.809  -5.561
  573   3HG1  VAL  70          3HG1      VAL  70   0.485   5.087  -6.455
  574   1HG2  VAL  70          1HG2      VAL  70  -0.168   2.442  -7.282
  575   2HG2  VAL  70          2HG2      VAL  70  -0.482   1.406  -5.890
  576   3HG2  VAL  70          3HG2      VAL  70   1.142   1.501  -6.570
  577    H    LEU  71           H        LEU  71   1.934   5.010  -3.240
  578    HA   LEU  71           HA       LEU  71   0.571   4.447  -0.718
  579   1HB   LEU  71          1HB       LEU  71   2.935   5.536  -1.035
  580   2HB   LEU  71          2HB       LEU  71   2.010   7.003  -1.294
  581    HG   LEU  71           HG       LEU  71   1.271   5.485   1.119
  582   1HD1  LEU  71          1HD1      LEU  71   3.295   5.250   1.990
  583   2HD1  LEU  71          2HD1      LEU  71   3.509   6.998   1.902
  584   3HD1  LEU  71          3HD1      LEU  71   4.031   5.978   0.562
  585   1HD2  LEU  71          1HD2      LEU  71   0.254   7.590   0.774
  586   2HD2  LEU  71          2HD2      LEU  71   1.800   8.362   0.421
  587   3HD2  LEU  71          3HD2      LEU  71   1.437   7.820   2.060
  588    H    ARG  72           H        ARG  72  -1.181   5.578   0.025
  589    HA   ARG  72           HA       ARG  72  -3.129   6.457  -1.649
  590   1HB   ARG  72          1HB       ARG  72  -3.088   6.139   0.956
  591   2HB   ARG  72          2HB       ARG  72  -2.801   7.874   0.969
  592   1HG   ARG  72          1HG       ARG  72  -4.891   7.845  -0.667
  593   2HG   ARG  72          2HG       ARG  72  -5.228   6.353   0.212
  594   1HD   ARG  72          1HD       ARG  72  -5.084   7.579   2.330
  595   2HD   ARG  72          2HD       ARG  72  -4.761   9.068   1.443
  596    HE   ARG  72           HE       ARG  72  -7.188   7.845   0.594
  597   1HH1  ARG  72          1HH1      ARG  72  -7.271  10.536   3.556
  598   2HH1  ARG  72          2HH1      ARG  72  -5.775   9.784   3.118
  599   1HH2  ARG  72          1HH2      ARG  72  -9.165   8.832   1.162
  600   2HH2  ARG  72          2HH2      ARG  72  -9.200   9.995   2.445
  601    H    LEU  73           H        LEU  73  -2.814   7.858  -3.270
  602    HA   LEU  73           HA       LEU  73  -1.247  10.269  -2.870
  603   1HB   LEU  73          1HB       LEU  73  -1.262   8.771  -4.969
  604   2HB   LEU  73          2HB       LEU  73  -2.777   9.562  -5.357
  605    HG   LEU  73           HG       LEU  73  -0.008  10.647  -5.396
  606   1HD1  LEU  73          1HD1      LEU  73  -2.457  10.793  -7.123
  607   2HD1  LEU  73          2HD1      LEU  73  -0.872  10.119  -7.505
  608   3HD1  LEU  73          3HD1      LEU  73  -1.077  11.865  -7.366
  609   1HD2  LEU  73          1HD2      LEU  73  -0.727  12.914  -5.175
  610   2HD2  LEU  73          2HD2      LEU  73  -1.255  12.034  -3.741
  611   3HD2  LEU  73          3HD2      LEU  73  -2.412  12.420  -5.014
  612    H    ARG  74           H        ARG  74  -2.485  11.501  -1.457
  613    HA   ARG  74           HA       ARG  74  -5.050  12.467  -2.542
  614   1HB   ARG  74          1HB       ARG  74  -4.296  11.544   0.118
  615   2HB   ARG  74          2HB       ARG  74  -5.025  13.144   0.150
  616   1HG   ARG  74          1HG       ARG  74  -6.432  11.178  -1.514
  617   2HG   ARG  74          2HG       ARG  74  -6.408  10.822   0.214
  618   1HD   ARG  74          1HD       ARG  74  -8.370  12.125  -0.313
  619   2HD   ARG  74          2HD       ARG  74  -7.265  13.093   0.662
  620    HE   ARG  74           HE       ARG  74  -7.164  14.572  -1.064
  621   1HH1  ARG  74          1HH1      ARG  74  -8.334  12.053  -3.947
  622   2HH1  ARG  74          2HH1      ARG  74  -8.106  11.470  -2.333
  623   1HH2  ARG  74          1HH2      ARG  74  -7.460  15.353  -3.186
  624   2HH2  ARG  74          2HH2      ARG  74  -7.966  14.262  -4.433
  625    H    GLY  75           H        GLY  75  -5.416  14.650  -2.645
  626   1HA   GLY  75          1HA       GLY  75  -4.956  16.921  -2.069
  627   2HA   GLY  75          2HA       GLY  75  -3.330  16.442  -1.608
  628    H    GLY  76           H        GLY  76  -2.471  15.060  -3.811
  629   1HA   GLY  76          1HA       GLY  76  -2.905  16.781  -6.133
  630   2HA   GLY  76          2HA       GLY  76  -1.280  16.735  -5.466
  Start of MODEL   10
    1   1H    MET   1          1H        MET   1   3.073 -19.769  -0.397
    2   2H    MET   1          2H        MET   1   1.942 -20.029  -1.663
    3   3H    MET   1          3H        MET   1   2.335 -18.432  -1.173
    4    HA   MET   1           HA       MET   1   4.492 -20.155  -2.046
    5   1HB   MET   1          1HB       MET   1   4.014 -19.717  -4.381
    6   2HB   MET   1          2HB       MET   1   2.644 -20.544  -3.653
    7   1HG   MET   1          1HG       MET   1   2.040 -17.876  -3.317
    8   2HG   MET   1          2HG       MET   1   2.795 -17.938  -4.909
    9   1HE   MET   1          1HE       MET   1  -1.038 -17.604  -4.542
   10   2HE   MET   1          2HE       MET   1  -0.421 -17.560  -6.194
   11   3HE   MET   1          3HE       MET   1   0.482 -16.782  -4.894
   12    H    GLN   2           H        GLN   2   5.963 -18.758  -3.427
   13    HA   GLN   2           HA       GLN   2   6.535 -16.360  -1.993
   14   1HB   GLN   2          1HB       GLN   2   8.088 -18.070  -3.322
   15   2HB   GLN   2          2HB       GLN   2   7.832 -16.908  -4.615
   16   1HG   GLN   2          1HG       GLN   2   9.600 -15.864  -3.752
   17   2HG   GLN   2          2HG       GLN   2   8.467 -15.275  -2.537
   18   1HE2  GLN   2          1HE2      GLN   2   8.126 -17.897  -1.332
   19   2HE2  GLN   2          2HE2      GLN   2   9.566 -18.206  -0.430
   20    H    LEU   3           H        LEU   3   6.251 -14.254  -2.561
   21    HA   LEU   3           HA       LEU   3   5.061 -13.657  -5.171
   22   1HB   LEU   3          1HB       LEU   3   3.916 -12.903  -2.490
   23   2HB   LEU   3          2HB       LEU   3   3.480 -12.073  -3.971
   24    HG   LEU   3           HG       LEU   3   3.153 -15.047  -3.734
   25   1HD1  LEU   3          1HD1      LEU   3   0.970 -14.812  -2.864
   26   2HD1  LEU   3          2HD1      LEU   3   1.014 -13.057  -3.028
   27   3HD1  LEU   3          3HD1      LEU   3   2.021 -13.854  -1.819
   28   1HD2  LEU   3          1HD2      LEU   3   1.715 -14.836  -5.547
   29   2HD2  LEU   3          2HD2      LEU   3   2.996 -13.681  -5.917
   30   3HD2  LEU   3          3HD2      LEU   3   1.457 -13.114  -5.269
   31    H    PHE   4           H        PHE   4   5.745 -11.783  -6.062
   32    HA   PHE   4           HA       PHE   4   7.761 -10.278  -4.576
   33   1HB   PHE   4          1HB       PHE   4   7.040 -10.376  -7.508
   34   2HB   PHE   4          2HB       PHE   4   8.219  -9.250  -6.844
   35    HD1  PHE   4           HD1      PHE   4   8.507 -11.573  -8.936
   36    HD2  PHE   4           HD2      PHE   4   9.386 -11.186  -4.782
   37    HE1  PHE   4           HE1      PHE   4  10.262 -13.291  -9.152
   38    HE2  PHE   4           HE2      PHE   4  11.144 -12.902  -4.990
   39    HZ   PHE   4           HZ       PHE   4  11.583 -13.956  -7.177
   40    H    VAL   5           H        VAL   5   7.525  -8.205  -3.958
   41    HA   VAL   5           HA       VAL   5   5.132  -6.751  -4.867
   42    HB   VAL   5           HB       VAL   5   6.164  -6.500  -2.055
   43   1HG1  VAL   5          1HG1      VAL   5   3.470  -6.059  -2.042
   44   2HG1  VAL   5          2HG1      VAL   5   3.935  -5.441  -3.627
   45   3HG1  VAL   5          3HG1      VAL   5   4.703  -4.805  -2.173
   46   1HG2  VAL   5          1HG2      VAL   5   5.415  -8.895  -2.796
   47   2HG2  VAL   5          2HG2      VAL   5   3.796  -8.207  -2.674
   48   3HG2  VAL   5          3HG2      VAL   5   4.857  -8.221  -1.265
   49    H    LYS   6           H        LYS   6   6.014  -5.224  -6.140
   50    HA   LYS   6           HA       LYS   6   8.442  -3.847  -5.290
   51   1HB   LYS   6          1HB       LYS   6   8.561  -2.967  -7.503
   52   2HB   LYS   6          2HB       LYS   6   8.136  -4.667  -7.649
   53   1HG   LYS   6          1HG       LYS   6   5.905  -4.171  -8.203
   54   2HG   LYS   6          2HG       LYS   6   6.067  -2.492  -7.683
   55   1HD   LYS   6          1HD       LYS   6   7.263  -3.806 -10.111
   56   2HD   LYS   6          2HD       LYS   6   6.115  -2.468 -10.052
   57   1HE   LYS   6          1HE       LYS   6   7.923  -1.171  -8.826
   58   2HE   LYS   6          2HE       LYS   6   9.027  -2.460  -9.302
   59   1HZ   LYS   6          1HZ       LYS   6   8.647  -0.313 -10.771
   60   2HZ   LYS   6          2HZ       LYS   6   7.396  -1.259 -11.403
   61   3HZ   LYS   6          3HZ       LYS   6   8.991  -1.821 -11.460
   62    H    THR   7           H        THR   7   8.572  -1.568  -5.117
   63    HA   THR   7           HA       THR   7   5.985  -0.273  -4.552
   64    HB   THR   7           HB       THR   7   7.023   0.999  -2.822
   65    HG1  THR   7           HG1      THR   7   9.519  -0.194  -3.328
   66   1HG2  THR   7          1HG2      THR   7   7.849  -1.878  -2.715
   67   2HG2  THR   7          2HG2      THR   7   6.497  -1.087  -1.905
   68   3HG2  THR   7          3HG2      THR   7   8.151  -0.758  -1.387
   69    H    LEU   8           H        LEU   8   6.673   2.312  -4.350
   70    HA   LEU   8           HA       LEU   8   7.311   2.990  -7.104
   71   1HB   LEU   8          1HB       LEU   8   5.445   3.956  -5.420
   72   2HB   LEU   8          2HB       LEU   8   6.727   5.115  -5.126
   73    HG   LEU   8           HG       LEU   8   6.794   5.609  -7.558
   74   1HD1  LEU   8          1HD1      LEU   8   5.910   3.442  -8.327
   75   2HD1  LEU   8          2HD1      LEU   8   5.031   4.813  -9.007
   76   3HD1  LEU   8          3HD1      LEU   8   4.327   3.881  -7.684
   77   1HD2  LEU   8          1HD2      LEU   8   3.968   5.976  -6.679
   78   2HD2  LEU   8          2HD2      LEU   8   5.058   7.114  -7.471
   79   3HD2  LEU   8          3HD2      LEU   8   5.270   6.735  -5.763
   80    H    THR   9           H        THR   9   9.325   2.134  -4.985
   81    HA   THR   9           HA       THR   9  11.116   4.462  -5.238
   82    HB   THR   9           HB       THR   9  12.142   3.913  -3.176
   83    HG1  THR   9           HG1      THR   9  11.458   1.967  -2.048
   84   1HG2  THR   9          1HG2      THR   9   9.834   3.219  -1.818
   85   2HG2  THR   9          2HG2      THR   9   9.265   4.127  -3.219
   86   3HG2  THR   9          3HG2      THR   9  10.439   4.849  -2.118
   87    H    GLY  10           H        GLY  10  10.522   1.499  -6.492
   88   1HA   GLY  10          1HA       GLY  10  11.864   0.422  -8.087
   89   2HA   GLY  10          2HA       GLY  10  13.268   1.257  -7.438
   90    H    LYS  11           H        LYS  11  11.855   0.199  -4.756
   91    HA   LYS  11           HA       LYS  11  13.633  -2.068  -4.540
   92   1HB   LYS  11          1HB       LYS  11  12.584  -0.192  -2.751
   93   2HB   LYS  11          2HB       LYS  11  11.839  -1.717  -2.291
   94   1HG   LYS  11          1HG       LYS  11  14.406  -2.497  -2.588
   95   2HG   LYS  11          2HG       LYS  11  14.628  -0.827  -2.058
   96   1HD   LYS  11          1HD       LYS  11  13.175  -3.048  -0.641
   97   2HD   LYS  11          2HD       LYS  11  14.592  -2.150  -0.094
   98   1HE   LYS  11          1HE       LYS  11  13.196  -0.813   1.010
   99   2HE   LYS  11          2HE       LYS  11  12.669  -0.200  -0.556
  100   1HZ   LYS  11          1HZ       LYS  11  10.700  -0.865   0.378
  101   2HZ   LYS  11          2HZ       LYS  11  11.382  -2.184   1.189
  102   3HZ   LYS  11          3HZ       LYS  11  11.118  -2.263  -0.481
  103    H    THR  12           H        THR  12  13.085  -4.190  -4.410
  104    HA   THR  12           HA       THR  12  10.235  -4.847  -4.776
  105    HB   THR  12           HB       THR  12  12.563  -6.459  -5.823
  106    HG1  THR  12           HG1      THR  12  10.964  -4.541  -7.164
  107   1HG2  THR  12          1HG2      THR  12  11.054  -7.965  -6.384
  108   2HG2  THR  12          2HG2      THR  12  10.231  -6.760  -7.374
  109   3HG2  THR  12          3HG2      THR  12   9.773  -6.975  -5.684
  110    H    LEU  13           H        LEU  13   9.383  -5.931  -3.140
  111    HA   LEU  13           HA       LEU  13  11.153  -7.327  -1.274
  112   1HB   LEU  13          1HB       LEU  13   8.761  -5.787  -1.014
  113   2HB   LEU  13          2HB       LEU  13   8.453  -7.402  -0.405
  114    HG   LEU  13           HG       LEU  13  10.971  -6.447   0.608
  115   1HD1  LEU  13          1HD1      LEU  13  10.488  -4.460   1.612
  116   2HD1  LEU  13          2HD1      LEU  13   8.752  -4.768   1.642
  117   3HD1  LEU  13          3HD1      LEU  13   9.535  -4.280   0.139
  118   1HD2  LEU  13          1HD2      LEU  13  10.203  -7.901   2.105
  119   2HD2  LEU  13          2HD2      LEU  13   8.555  -7.771   1.491
  120   3HD2  LEU  13          3HD2      LEU  13   9.145  -6.614   2.685
  121    H    THR  14           H        THR  14  10.114  -9.349  -0.254
  122    HA   THR  14           HA       THR  14   8.609 -10.943  -2.180
  123    HB   THR  14           HB       THR  14  11.276 -11.824  -1.058
  124    HG1  THR  14           HG1      THR  14  11.757 -10.555  -2.739
  125   1HG2  THR  14          1HG2      THR  14  10.676 -13.540  -3.079
  126   2HG2  THR  14          2HG2      THR  14   9.102 -13.308  -2.316
  127   3HG2  THR  14          3HG2      THR  14  10.470 -13.879  -1.360
  128    H    VAL  15           H        VAL  15   6.911 -11.527  -0.991
  129    HA   VAL  15           HA       VAL  15   7.401 -12.539   1.734
  130    HB   VAL  15           HB       VAL  15   5.175 -11.837   2.363
  131   1HG1  VAL  15          1HG1      VAL  15   7.001  -9.817   1.144
  132   2HG1  VAL  15          2HG1      VAL  15   6.617 -10.111   2.841
  133   3HG1  VAL  15          3HG1      VAL  15   5.449  -9.297   1.800
  134   1HG2  VAL  15          1HG2      VAL  15   3.620 -10.823   0.924
  135   2HG2  VAL  15          2HG2      VAL  15   4.255 -12.190   0.009
  136   3HG2  VAL  15          3HG2      VAL  15   4.827 -10.557  -0.334
  137    H    GLU  16           H        GLU  16   6.049 -14.285   2.459
  138    HA   GLU  16           HA       GLU  16   5.345 -16.090   0.266
  139   1HB   GLU  16          1HB       GLU  16   5.886 -16.534   3.198
  140   2HB   GLU  16          2HB       GLU  16   5.223 -17.792   2.163
  141   1HG   GLU  16          1HG       GLU  16   7.432 -18.302   2.032
  142   2HG   GLU  16          2HG       GLU  16   7.303 -17.192   0.668
  143    H    LEU  17           H        LEU  17   3.306 -15.833  -0.394
  144    HA   LEU  17           HA       LEU  17   1.185 -16.010   1.628
  145   1HB   LEU  17          1HB       LEU  17   1.779 -13.707   0.096
  146   2HB   LEU  17          2HB       LEU  17   0.300 -14.383  -0.557
  147    HG   LEU  17           HG       LEU  17  -0.767 -14.257   1.621
  148   1HD1  LEU  17          1HD1      LEU  17   0.634 -14.523   3.356
  149   2HD1  LEU  17          2HD1      LEU  17   0.774 -12.766   3.274
  150   3HD1  LEU  17          3HD1      LEU  17   1.992 -13.786   2.508
  151   1HD2  LEU  17          1HD2      LEU  17  -0.899 -11.857   1.850
  152   2HD2  LEU  17          2HD2      LEU  17  -0.810 -12.286   0.142
  153   3HD2  LEU  17          3HD2      LEU  17   0.616 -11.660   0.968
  154    H    GLU  18           H        GLU  18  -0.628 -17.146   1.013
  155    HA   GLU  18           HA       GLU  18  -0.330 -18.736  -1.420
  156   1HB   GLU  18          1HB       GLU  18  -1.830 -19.070   1.145
  157   2HB   GLU  18          2HB       GLU  18  -2.357 -19.950  -0.277
  158   1HG   GLU  18          1HG       GLU  18  -0.768 -21.451  -0.003
  159   2HG   GLU  18          2HG       GLU  18   0.475 -20.206   0.066
  160    HA   PRO  19           HA       PRO  19  -3.643 -16.906  -3.659
  161   1HB   PRO  19          1HB       PRO  19  -5.094 -19.056  -4.518
  162   2HB   PRO  19          2HB       PRO  19  -3.545 -18.579  -5.219
  163   1HG   PRO  19          1HG       PRO  19  -4.138 -20.702  -3.193
  164   2HG   PRO  19          2HG       PRO  19  -3.046 -20.760  -4.589
  165   1HD   PRO  19          1HD       PRO  19  -2.140 -20.371  -2.082
  166   2HD   PRO  19          2HD       PRO  19  -1.373 -19.604  -3.487
  167    H    SER  20           H        SER  20  -4.357 -18.942  -0.977
  168    HA   SER  20           HA       SER  20  -7.189 -18.334  -0.953
  169   1HB   SER  20          1HB       SER  20  -7.217 -19.641   1.144
  170   2HB   SER  20          2HB       SER  20  -6.438 -20.529  -0.166
  171    HG   SER  20           HG       SER  20  -5.322 -20.525   1.923
  172    H    ASP  21           H        ASP  21  -4.298 -16.948   0.215
  173    HA   ASP  21           HA       ASP  21  -5.203 -15.678   2.551
  174   1HB   ASP  21          1HB       ASP  21  -3.031 -14.958   0.580
  175   2HB   ASP  21          2HB       ASP  21  -3.320 -14.043   2.058
  176    H    THR  22           H        THR  22  -5.331 -13.213   2.721
  177    HA   THR  22           HA       THR  22  -6.981 -12.166   0.515
  178    HB   THR  22           HB       THR  22  -8.507 -11.221   2.015
  179    HG1  THR  22           HG1      THR  22  -7.951 -10.498   3.903
  180   1HG2  THR  22          1HG2      THR  22  -9.151 -13.408   2.168
  181   2HG2  THR  22          2HG2      THR  22  -8.857 -13.023   3.864
  182   3HG2  THR  22          3HG2      THR  22  -7.648 -13.913   2.939
  183    H    VAL  23           H        VAL  23  -7.041  -9.801   0.367
  184    HA   VAL  23           HA       VAL  23  -4.551  -8.644   0.157
  185    HB   VAL  23           HB       VAL  23  -7.191  -7.245   0.616
  186   1HG1  VAL  23          1HG1      VAL  23  -6.181  -5.254  -0.243
  187   2HG1  VAL  23          2HG1      VAL  23  -4.673  -6.103  -0.581
  188   3HG1  VAL  23          3HG1      VAL  23  -5.181  -5.839   1.087
  189   1HG2  VAL  23          1HG2      VAL  23  -7.401  -7.125  -1.737
  190   2HG2  VAL  23          2HG2      VAL  23  -6.965  -8.795  -1.372
  191   3HG2  VAL  23          3HG2      VAL  23  -5.744  -7.680  -1.987
  192    H    GLU  24           H        GLU  24  -6.722  -8.706   2.918
  193    HA   GLU  24           HA       GLU  24  -5.497  -6.766   4.509
  194   1HB   GLU  24          1HB       GLU  24  -7.297  -9.062   4.958
  195   2HB   GLU  24          2HB       GLU  24  -6.362  -8.558   6.359
  196   1HG   GLU  24          1HG       GLU  24  -7.330  -6.189   5.296
  197   2HG   GLU  24          2HG       GLU  24  -8.667  -7.327   5.130
  198    H    ASN  25           H        ASN  25  -4.834 -10.232   4.194
  199    HA   ASN  25           HA       ASN  25  -2.835 -10.367   6.175
  200   1HB   ASN  25          1HB       ASN  25  -3.021 -12.100   3.705
  201   2HB   ASN  25          2HB       ASN  25  -2.271 -12.511   5.244
  202   1HD2  ASN  25          1HD2      ASN  25  -3.668 -12.717   7.103
  203   2HD2  ASN  25          2HD2      ASN  25  -5.297 -13.249   6.885
  204    H    LEU  26           H        LEU  26  -2.641  -9.915   2.656
  205    HA   LEU  26           HA       LEU  26   0.094  -9.888   2.322
  206   1HB   LEU  26          1HB       LEU  26  -1.465  -9.764   0.458
  207   2HB   LEU  26          2HB       LEU  26  -1.972  -8.162   0.957
  208    HG   LEU  26           HG       LEU  26  -0.067  -7.150   0.152
  209   1HD1  LEU  26          1HD1      LEU  26   1.279  -9.802   0.555
  210   2HD1  LEU  26          2HD1      LEU  26   1.632  -8.258   1.329
  211   3HD1  LEU  26          3HD1      LEU  26   2.024  -8.500  -0.372
  212   1HD2  LEU  26          1HD2      LEU  26  -1.054  -7.802  -1.826
  213   2HD2  LEU  26          2HD2      LEU  26  -0.759  -9.516  -1.532
  214   3HD2  LEU  26          3HD2      LEU  26   0.571  -8.461  -2.008
  215    H    LYS  27           H        LYS  27  -1.961  -7.029   2.908
  216    HA   LYS  27           HA       LYS  27   0.126  -5.194   3.210
  217   1HB   LYS  27          1HB       LYS  27  -2.722  -5.258   4.158
  218   2HB   LYS  27          2HB       LYS  27  -1.655  -3.948   4.643
  219   1HG   LYS  27          1HG       LYS  27  -1.801  -2.949   2.658
  220   2HG   LYS  27          2HG       LYS  27  -1.577  -4.466   1.782
  221   1HD   LYS  27          1HD       LYS  27  -3.960  -5.019   2.275
  222   2HD   LYS  27          2HD       LYS  27  -4.140  -3.401   2.958
  223   1HE   LYS  27          1HE       LYS  27  -3.200  -2.613   0.670
  224   2HE   LYS  27          2HE       LYS  27  -3.675  -4.218   0.118
  225   1HZ   LYS  27          1HZ       LYS  27  -5.911  -3.562   1.263
  226   2HZ   LYS  27          2HZ       LYS  27  -5.565  -3.039  -0.307
  227   3HZ   LYS  27          3HZ       LYS  27  -5.356  -1.986   1.000
  228    H    ALA  28           H        ALA  28  -1.386  -7.383   5.499
  229    HA   ALA  28           HA       ALA  28  -0.386  -6.344   7.887
  230   1HB   ALA  28          1HB       ALA  28  -0.822  -8.496   8.852
  231   2HB   ALA  28          2HB       ALA  28  -0.800  -9.265   7.265
  232   3HB   ALA  28          3HB       ALA  28  -2.096  -8.144   7.683
  233    H    LYS  29           H        LYS  29   1.087  -8.496   5.516
  234    HA   LYS  29           HA       LYS  29   3.415  -9.057   7.068
  235   1HB   LYS  29          1HB       LYS  29   3.035  -9.264   4.075
  236   2HB   LYS  29          2HB       LYS  29   4.309 -10.026   5.017
  237   1HG   LYS  29          1HG       LYS  29   1.364 -10.631   5.146
  238   2HG   LYS  29          2HG       LYS  29   2.635 -11.656   4.474
  239   1HD   LYS  29          1HD       LYS  29   3.635 -11.914   6.662
  240   2HD   LYS  29          2HD       LYS  29   2.458 -10.799   7.360
  241   1HE   LYS  29          1HE       LYS  29   0.790 -12.573   6.227
  242   2HE   LYS  29          2HE       LYS  29   2.160 -13.629   6.571
  243   1HZ   LYS  29          1HZ       LYS  29   1.855 -13.459   8.785
  244   2HZ   LYS  29          2HZ       LYS  29   0.261 -13.120   8.334
  245   3HZ   LYS  29          3HZ       LYS  29   1.316 -11.856   8.719
  246    H    ILE  30           H        ILE  30   2.636  -6.757   4.495
  247    HA   ILE  30           HA       ILE  30   5.219  -5.689   4.168
  248    HB   ILE  30           HB       ILE  30   2.603  -4.233   3.773
  249   1HG1  ILE  30          1HG1      ILE  30   4.118  -6.152   2.007
  250   2HG1  ILE  30          2HG1      ILE  30   2.428  -6.228   2.499
  251   1HG2  ILE  30          1HG2      ILE  30   4.917  -3.034   3.766
  252   2HG2  ILE  30          2HG2      ILE  30   3.741  -2.688   2.497
  253   3HG2  ILE  30          3HG2      ILE  30   5.087  -3.783   2.178
  254   1HD1  ILE  30          1HD1      ILE  30   1.904  -5.263   0.584
  255   2HD1  ILE  30          2HD1      ILE  30   3.604  -4.982   0.204
  256   3HD1  ILE  30          3HD1      ILE  30   2.705  -3.799   1.154
  257    H    GLN  31           H        GLN  31   2.785  -5.188   6.580
  258    HA   GLN  31           HA       GLN  31   3.996  -2.750   7.582
  259   1HB   GLN  31          1HB       GLN  31   1.499  -3.245   7.606
  260   2HB   GLN  31          2HB       GLN  31   1.831  -4.379   8.909
  261   1HG   GLN  31          1HG       GLN  31   3.070  -2.189   9.861
  262   2HG   GLN  31          2HG       GLN  31   1.782  -1.438   8.919
  263   1HE2  GLN  31          1HE2      GLN  31  -0.072  -3.617   9.304
  264   2HE2  GLN  31          2HE2      GLN  31  -0.623  -3.514  10.938
  265    H    ASP  32           H        ASP  32   4.094  -6.159   8.191
  266    HA   ASP  32           HA       ASP  32   5.381  -5.844  10.774
  267   1HB   ASP  32          1HB       ASP  32   3.901  -7.885   9.528
  268   2HB   ASP  32          2HB       ASP  32   5.525  -8.518   9.763
  269    H    LYS  33           H        LYS  33   6.225  -6.420   7.455
  270    HA   LYS  33           HA       LYS  33   9.000  -7.008   8.194
  271   1HB   LYS  33          1HB       LYS  33   7.324  -7.497   5.791
  272   2HB   LYS  33          2HB       LYS  33   9.037  -7.202   5.520
  273   1HG   LYS  33          1HG       LYS  33   8.480  -9.125   7.652
  274   2HG   LYS  33          2HG       LYS  33   7.925  -9.626   6.053
  275   1HD   LYS  33          1HD       LYS  33  10.685  -8.528   6.436
  276   2HD   LYS  33          2HD       LYS  33  10.335 -10.221   6.794
  277   1HE   LYS  33          1HE       LYS  33   9.233  -9.418   4.243
  278   2HE   LYS  33          2HE       LYS  33  10.972  -9.135   4.316
  279   1HZ   LYS  33          1HZ       LYS  33   9.493 -11.667   4.504
  280   2HZ   LYS  33          2HZ       LYS  33  10.992 -11.532   5.278
  281   3HZ   LYS  33          3HZ       LYS  33  10.879 -11.296   3.607
  282    H    GLU  34           H        GLU  34   7.129  -4.831   6.090
  283    HA   GLU  34           HA       GLU  34   9.466  -3.107   5.789
  284   1HB   GLU  34          1HB       GLU  34   7.490  -3.819   4.031
  285   2HB   GLU  34          2HB       GLU  34   6.938  -2.239   4.570
  286   1HG   GLU  34          1HG       GLU  34   8.867  -1.170   3.777
  287   2HG   GLU  34          2HG       GLU  34   9.739  -2.693   3.604
  288    H    GLY  35           H        GLY  35   6.104  -2.932   6.931
  289   1HA   GLY  35          1HA       GLY  35   5.563  -1.761   8.959
  290   2HA   GLY  35          2HA       GLY  35   6.912  -0.680   8.646
  291    H    ILE  36           H        ILE  36   4.701  -1.594   6.115
  292    HA   ILE  36           HA       ILE  36   3.807   1.193   5.963
  293    HB   ILE  36           HB       ILE  36   3.546  -1.002   3.905
  294   1HG1  ILE  36          1HG1      ILE  36   5.850  -0.539   4.039
  295   2HG1  ILE  36          2HG1      ILE  36   5.284   0.474   2.715
  296   1HG2  ILE  36          1HG2      ILE  36   2.406   0.413   2.589
  297   2HG2  ILE  36          2HG2      ILE  36   3.368   1.807   3.082
  298   3HG2  ILE  36          3HG2      ILE  36   2.039   1.249   4.097
  299   1HD1  ILE  36          1HD1      ILE  36   5.008   2.139   4.852
  300   2HD1  ILE  36          2HD1      ILE  36   6.389   2.101   3.756
  301   3HD1  ILE  36          3HD1      ILE  36   6.448   1.216   5.280
  302    HA   PRO  37           HA       PRO  37  -0.158   0.016   7.586
  303   1HB   PRO  37          1HB       PRO  37  -1.156   2.474   6.321
  304   2HB   PRO  37          2HB       PRO  37  -1.108   2.033   8.029
  305   1HG   PRO  37          1HG       PRO  37   0.515   3.916   6.990
  306   2HG   PRO  37          2HG       PRO  37   1.018   2.862   8.323
  307   1HD   PRO  37          1HD       PRO  37   1.711   2.710   5.419
  308   2HD   PRO  37          2HD       PRO  37   2.726   2.395   6.843
  309    HA   PRO  38           HA       PRO  38  -2.232  -1.869   4.163
  310   1HB   PRO  38          1HB       PRO  38  -4.710  -1.653   5.743
  311   2HB   PRO  38          2HB       PRO  38  -3.872  -3.094   5.163
  312   1HG   PRO  38          1HG       PRO  38  -3.875  -2.412   7.760
  313   2HG   PRO  38          2HG       PRO  38  -2.470  -3.178   6.995
  314   1HD   PRO  38          1HD       PRO  38  -2.916  -0.302   7.700
  315   2HD   PRO  38          2HD       PRO  38  -1.443  -1.285   7.841
  316    H    ASP  39           H        ASP  39  -3.981   0.771   5.786
  317    HA   ASP  39           HA       ASP  39  -5.669   1.401   3.619
  318   1HB   ASP  39          1HB       ASP  39  -5.704   2.132   6.160
  319   2HB   ASP  39          2HB       ASP  39  -4.812   3.520   5.544
  320    H    GLN  40           H        GLN  40  -2.351   1.875   4.036
  321    HA   GLN  40           HA       GLN  40  -2.314   4.023   2.022
  322   1HB   GLN  40          1HB       GLN  40  -0.295   3.244   4.125
  323   2HB   GLN  40          2HB       GLN  40   0.072   4.356   2.812
  324   1HG   GLN  40          1HG       GLN  40  -1.557   5.918   3.588
  325   2HG   GLN  40          2HG       GLN  40  -2.157   4.773   4.787
  326   1HE2  GLN  40          1HE2      GLN  40  -1.772   6.209   6.471
  327   2HE2  GLN  40          2HE2      GLN  40  -0.178   6.551   7.043
  328    H    GLN  41           H        GLN  41  -2.515   1.000   1.744
  329    HA   GLN  41           HA       GLN  41  -0.152   0.618   0.026
  330   1HB   GLN  41          1HB       GLN  41  -1.681  -1.246   1.780
  331   2HB   GLN  41          2HB       GLN  41  -0.978  -1.890   0.303
  332   1HG   GLN  41          1HG       GLN  41   1.224  -1.143   1.006
  333   2HG   GLN  41          2HG       GLN  41   0.531  -0.448   2.471
  334   1HE2  GLN  41          1HE2      GLN  41   0.545  -1.668   4.218
  335   2HE2  GLN  41          2HE2      GLN  41   0.728  -3.385   4.258
  336    H    ARG  42           H        ARG  42  -0.937   1.395  -1.897
  337    HA   ARG  42           HA       ARG  42  -3.482   0.352  -2.891
  338   1HB   ARG  42          1HB       ARG  42  -1.813   2.715  -3.459
  339   2HB   ARG  42          2HB       ARG  42  -2.574   1.989  -4.868
  340   1HG   ARG  42          1HG       ARG  42  -4.586   2.109  -2.945
  341   2HG   ARG  42          2HG       ARG  42  -3.719   3.640  -2.808
  342   1HD   ARG  42          1HD       ARG  42  -3.890   3.530  -5.455
  343   2HD   ARG  42          2HD       ARG  42  -5.297   2.539  -5.070
  344    HE   ARG  42           HE       ARG  42  -5.283   4.962  -3.577
  345   1HH1  ARG  42          1HH1      ARG  42  -7.122   4.859  -7.132
  346   2HH1  ARG  42          2HH1      ARG  42  -5.966   3.635  -6.723
  347   1HH2  ARG  42          1HH2      ARG  42  -6.804   6.577  -4.103
  348   2HH2  ARG  42          2HH2      ARG  42  -7.598   6.533  -5.642
  349    H    LEU  43           H        LEU  43  -3.029  -1.744  -3.477
  350    HA   LEU  43           HA       LEU  43  -0.761  -2.287  -5.215
  351   1HB   LEU  43          1HB       LEU  43  -2.878  -4.152  -4.139
  352   2HB   LEU  43          2HB       LEU  43  -1.432  -4.634  -5.006
  353    HG   LEU  43           HG       LEU  43  -1.529  -3.335  -2.284
  354   1HD1  LEU  43          1HD1      LEU  43  -0.503  -5.510  -1.597
  355   2HD1  LEU  43          2HD1      LEU  43  -0.872  -6.123  -3.209
  356   3HD1  LEU  43          3HD1      LEU  43  -2.178  -5.621  -2.135
  357   1HD2  LEU  43          1HD2      LEU  43   0.410  -2.584  -3.586
  358   2HD2  LEU  43          2HD2      LEU  43   0.851  -4.266  -3.886
  359   3HD2  LEU  43          3HD2      LEU  43   0.883  -3.625  -2.244
  360    H    ILE  44           H        ILE  44  -0.874  -2.356  -7.351
  361    HA   ILE  44           HA       ILE  44  -3.531  -2.573  -8.611
  362    HB   ILE  44           HB       ILE  44  -1.121  -1.157  -9.749
  363   1HG1  ILE  44          1HG1      ILE  44  -2.008  -0.017  -7.734
  364   2HG1  ILE  44          2HG1      ILE  44  -2.243   0.931  -9.200
  365   1HG2  ILE  44          1HG2      ILE  44  -3.555  -0.286 -10.886
  366   2HG2  ILE  44          2HG2      ILE  44  -3.573  -2.050 -10.891
  367   3HG2  ILE  44          3HG2      ILE  44  -2.245  -1.180 -11.659
  368   1HD1  ILE  44          1HD1      ILE  44  -4.586  -0.121  -9.246
  369   2HD1  ILE  44          2HD1      ILE  44  -4.251   1.155  -8.076
  370   3HD1  ILE  44          3HD1      ILE  44  -4.266  -0.531  -7.561
  371    H    PHE  45           H        PHE  45  -3.195  -4.903  -8.572
  372    HA   PHE  45           HA       PHE  45  -1.047  -6.028 -10.126
  373   1HB   PHE  45          1HB       PHE  45  -1.930  -7.246  -8.199
  374   2HB   PHE  45          2HB       PHE  45  -3.521  -7.314  -8.949
  375    HD1  PHE  45           HD1      PHE  45  -4.114  -9.240 -10.049
  376    HD2  PHE  45           HD2      PHE  45   0.018  -8.237  -9.707
  377    HE1  PHE  45           HE1      PHE  45  -3.511 -11.366 -11.142
  378    HE2  PHE  45           HE2      PHE  45   0.627 -10.361 -10.800
  379    HZ   PHE  45           HZ       PHE  45  -1.138 -11.928 -11.519
  380    H    ALA  46           H        ALA  46  -1.029  -6.137 -12.262
  381    HA   ALA  46           HA       ALA  46  -1.737  -5.995 -14.435
  382   1HB   ALA  46          1HB       ALA  46  -2.826  -7.884 -15.112
  383   2HB   ALA  46          2HB       ALA  46  -4.005  -7.808 -13.803
  384   3HB   ALA  46          3HB       ALA  46  -2.367  -8.378 -13.482
  385    H    GLY  47           H        GLY  47  -2.656  -3.819 -13.083
  386   1HA   GLY  47          1HA       GLY  47  -4.156  -2.099 -13.344
  387   2HA   GLY  47          2HA       GLY  47  -4.858  -3.011 -14.671
  388    H    LYS  48           H        LYS  48  -4.604  -4.188 -11.374
  389    HA   LYS  48           HA       LYS  48  -7.498  -3.804 -11.028
  390   1HB   LYS  48          1HB       LYS  48  -6.120  -6.301 -11.369
  391   2HB   LYS  48          2HB       LYS  48  -6.808  -6.231  -9.753
  392   1HG   LYS  48          1HG       LYS  48  -8.937  -6.310 -10.505
  393   2HG   LYS  48          2HG       LYS  48  -8.571  -5.398 -11.971
  394   1HD   LYS  48          1HD       LYS  48  -7.191  -7.903 -12.045
  395   2HD   LYS  48          2HD       LYS  48  -8.896  -8.189 -11.688
  396   1HE   LYS  48          1HE       LYS  48  -9.605  -7.253 -13.682
  397   2HE   LYS  48          2HE       LYS  48  -8.127  -6.313 -13.883
  398   1HZ   LYS  48          1HZ       LYS  48  -7.295  -7.927 -15.123
  399   2HZ   LYS  48          2HZ       LYS  48  -8.734  -8.802 -14.976
  400   3HZ   LYS  48          3HZ       LYS  48  -7.480  -9.047 -13.869
  401    H    GLN  49           H        GLN  49  -7.696  -2.499  -9.338
  402    HA   GLN  49           HA       GLN  49  -5.714  -2.299  -7.286
  403   1HB   GLN  49          1HB       GLN  49  -7.301  -0.466  -8.179
  404   2HB   GLN  49          2HB       GLN  49  -8.493  -1.170  -7.094
  405   1HG   GLN  49          1HG       GLN  49  -6.846  -0.837  -5.231
  406   2HG   GLN  49          2HG       GLN  49  -5.862   0.085  -6.368
  407   1HE2  GLN  49          1HE2      GLN  49  -7.708   1.503  -7.747
  408   2HE2  GLN  49          2HE2      GLN  49  -8.541   2.591  -6.694
  409    H    LEU  50           H        LEU  50  -5.488  -4.055  -6.016
  410    HA   LEU  50           HA       LEU  50  -7.387  -5.897  -5.257
  411   1HB   LEU  50          1HB       LEU  50  -5.122  -4.954  -3.503
  412   2HB   LEU  50          2HB       LEU  50  -5.919  -6.514  -3.445
  413    HG   LEU  50           HG       LEU  50  -4.060  -5.475  -5.572
  414   1HD1  LEU  50          1HD1      LEU  50  -2.941  -7.693  -4.994
  415   2HD1  LEU  50          2HD1      LEU  50  -3.979  -7.706  -3.568
  416   3HD1  LEU  50          3HD1      LEU  50  -2.826  -6.393  -3.808
  417   1HD2  LEU  50          1HD2      LEU  50  -5.110  -6.712  -7.087
  418   2HD2  LEU  50          2HD2      LEU  50  -6.272  -7.267  -5.882
  419   3HD2  LEU  50          3HD2      LEU  50  -4.760  -8.142  -6.115
  420    H    GLU  51           H        GLU  51  -9.187  -5.771  -4.106
  421    HA   GLU  51           HA       GLU  51  -9.591  -3.465  -2.348
  422   1HB   GLU  51          1HB       GLU  51 -11.676  -5.485  -3.153
  423   2HB   GLU  51          2HB       GLU  51 -11.924  -3.855  -2.541
  424   1HG   GLU  51          1HG       GLU  51 -10.440  -4.195  -5.091
  425   2HG   GLU  51          2HG       GLU  51 -12.187  -4.432  -5.093
  426    H    ASP  52           H        ASP  52  -9.201  -3.724  -0.255
  427    HA   ASP  52           HA       ASP  52  -8.521  -5.995   1.075
  428   1HB   ASP  52          1HB       ASP  52  -9.705  -4.669   3.091
  429   2HB   ASP  52          2HB       ASP  52  -8.147  -4.203   2.425
  430    H    GLY  53           H        GLY  53  -9.522  -7.815   1.625
  431   1HA   GLY  53          1HA       GLY  53 -11.483  -8.722   2.867
  432   2HA   GLY  53          2HA       GLY  53 -12.474  -7.781   1.763
  433    H    ARG  54           H        ARG  54 -10.568  -8.490  -0.468
  434    HA   ARG  54           HA       ARG  54 -11.845 -11.028  -1.127
  435   1HB   ARG  54          1HB       ARG  54 -10.082  -9.407  -2.951
  436   2HB   ARG  54          2HB       ARG  54 -11.330 -10.567  -3.387
  437   1HG   ARG  54          1HG       ARG  54 -12.292  -8.290  -1.818
  438   2HG   ARG  54          2HG       ARG  54 -11.636  -7.871  -3.402
  439   1HD   ARG  54          1HD       ARG  54 -14.028  -8.294  -3.543
  440   2HD   ARG  54          2HD       ARG  54 -13.122  -9.503  -4.451
  441    HE   ARG  54           HE       ARG  54 -13.834 -11.119  -2.971
  442   1HH1  ARG  54          1HH1      ARG  54 -15.651  -8.557  -0.488
  443   2HH1  ARG  54          2HH1      ARG  54 -14.632  -7.956  -1.753
  444   1HH2  ARG  54          1HH2      ARG  54 -15.173 -11.923  -1.309
  445   2HH2  ARG  54          2HH2      ARG  54 -15.958 -10.813  -0.235
  446    H    THR  55           H        THR  55 -10.561 -12.708  -2.239
  447    HA   THR  55           HA       THR  55  -8.030 -13.101  -0.829
  448    HB   THR  55           HB       THR  55  -8.240 -15.452  -1.549
  449    HG1  THR  55           HG1      THR  55 -10.007 -16.111  -2.710
  450   1HG2  THR  55          1HG2      THR  55 -10.121 -16.107  -0.238
  451   2HG2  THR  55          2HG2      THR  55 -10.842 -14.504  -0.383
  452   3HG2  THR  55          3HG2      THR  55  -9.356 -14.723   0.541
  453    H    LEU  56           H        LEU  56  -6.157 -13.900  -1.945
  454    HA   LEU  56           HA       LEU  56  -5.555 -12.454  -4.289
  455   1HB   LEU  56          1HB       LEU  56  -4.108 -14.804  -3.063
  456   2HB   LEU  56          2HB       LEU  56  -3.452 -13.746  -4.297
  457    HG   LEU  56           HG       LEU  56  -3.997 -13.140  -1.409
  458   1HD1  LEU  56          1HD1      LEU  56  -1.635 -12.086  -1.874
  459   2HD1  LEU  56          2HD1      LEU  56  -1.643 -13.216  -3.227
  460   3HD1  LEU  56          3HD1      LEU  56  -1.818 -13.814  -1.577
  461   1HD2  LEU  56          1HD2      LEU  56  -3.239 -10.758  -2.184
  462   2HD2  LEU  56          2HD2      LEU  56  -4.937 -11.226  -2.264
  463   3HD2  LEU  56          3HD2      LEU  56  -3.945 -11.258  -3.721
  464    H    SER  57           H        SER  57  -6.817 -15.643  -3.748
  465    HA   SER  57           HA       SER  57  -6.190 -16.778  -6.258
  466   1HB   SER  57          1HB       SER  57  -6.829 -18.383  -4.715
  467   2HB   SER  57          2HB       SER  57  -8.150 -17.399  -4.082
  468    HG   SER  57           HG       SER  57  -9.430 -18.052  -5.675
  469    H    ASP  58           H        ASP  58  -8.726 -14.652  -5.170
  470    HA   ASP  58           HA       ASP  58 -10.461 -15.025  -7.399
  471   1HB   ASP  58          1HB       ASP  58 -10.299 -12.594  -5.612
  472   2HB   ASP  58          2HB       ASP  58 -11.683 -13.140  -6.554
  473    H    TYR  59           H        TYR  59  -7.521 -13.368  -6.968
  474    HA   TYR  59           HA       TYR  59  -8.015 -11.644  -9.292
  475   1HB   TYR  59          1HB       TYR  59  -6.008 -11.555  -7.055
  476   2HB   TYR  59          2HB       TYR  59  -5.727 -10.673  -8.554
  477    HD1  TYR  59           HD1      TYR  59  -7.039 -10.428  -5.326
  478    HD2  TYR  59           HD2      TYR  59  -7.816  -9.196  -9.333
  479    HE1  TYR  59           HE1      TYR  59  -8.417  -8.568  -4.481
  480    HE2  TYR  59           HE2      TYR  59  -9.195  -7.332  -8.500
  481    HH   TYR  59           HH       TYR  59  -9.970  -6.269  -6.710
  482    H    ASN  60           H        ASN  60  -7.553 -14.538  -9.450
  483    HA   ASN  60           HA       ASN  60  -6.207 -16.089 -10.475
  484   1HB   ASN  60          1HB       ASN  60  -5.390 -15.231 -12.747
  485   2HB   ASN  60          2HB       ASN  60  -7.122 -15.153 -12.440
  486   1HD2  ASN  60          1HD2      ASN  60  -8.103 -13.165 -12.138
  487   2HD2  ASN  60          2HD2      ASN  60  -7.326 -11.679 -12.551
  488    H    LEU  61           H        LEU  61  -4.854 -14.561  -8.432
  489    HA   LEU  61           HA       LEU  61  -2.319 -13.665  -9.215
  490   1HB   LEU  61          1HB       LEU  61  -3.520 -14.627  -6.664
  491   2HB   LEU  61          2HB       LEU  61  -1.775 -14.477  -6.750
  492    HG   LEU  61           HG       LEU  61  -3.228 -12.495  -5.859
  493   1HD1  LEU  61          1HD1      LEU  61  -1.526 -10.995  -7.350
  494   2HD1  LEU  61          2HD1      LEU  61  -0.767 -12.583  -7.449
  495   3HD1  LEU  61          3HD1      LEU  61  -1.081 -11.852  -5.875
  496   1HD2  LEU  61          1HD2      LEU  61  -4.123 -11.020  -7.411
  497   2HD2  LEU  61          2HD2      LEU  61  -4.599 -12.597  -8.041
  498   3HD2  LEU  61          3HD2      LEU  61  -3.233 -11.738  -8.755
  499    H    GLN  62           H        GLN  62  -0.502 -14.671  -9.791
  500    HA   GLN  62           HA       GLN  62  -0.478 -17.607  -9.723
  501   1HB   GLN  62          1HB       GLN  62   1.344 -15.794 -11.307
  502   2HB   GLN  62          2HB       GLN  62   1.120 -17.526 -11.511
  503   1HG   GLN  62          1HG       GLN  62  -0.705 -17.269 -12.776
  504   2HG   GLN  62          2HG       GLN  62  -1.335 -15.959 -11.779
  505   1HE2  GLN  62          1HE2      GLN  62  -0.897 -13.862 -12.320
  506   2HE2  GLN  62          2HE2      GLN  62  -0.126 -13.402 -13.797
  507    H    LYS  63           H        LYS  63   2.145 -18.197  -9.911
  508    HA   LYS  63           HA       LYS  63   3.100 -17.519  -7.249
  509   1HB   LYS  63          1HB       LYS  63   3.082 -19.866  -8.567
  510   2HB   LYS  63          2HB       LYS  63   4.691 -19.305  -8.998
  511   1HG   LYS  63          1HG       LYS  63   4.784 -18.847  -6.373
  512   2HG   LYS  63          2HG       LYS  63   3.616 -20.170  -6.386
  513   1HD   LYS  63          1HD       LYS  63   5.854 -20.714  -8.134
  514   2HD   LYS  63          2HD       LYS  63   6.386 -20.391  -6.483
  515   1HE   LYS  63          1HE       LYS  63   5.917 -22.789  -6.931
  516   2HE   LYS  63          2HE       LYS  63   4.953 -22.109  -5.621
  517   1HZ   LYS  63          1HZ       LYS  63   4.100 -23.241  -8.103
  518   2HZ   LYS  63          2HZ       LYS  63   3.433 -21.708  -7.849
  519   3HZ   LYS  63          3HZ       LYS  63   3.208 -22.928  -6.701
  520    H    GLU  64           H        GLU  64   4.729 -16.175  -6.822
  521    HA   GLU  64           HA       GLU  64   6.508 -14.779  -7.087
  522   1HB   GLU  64          1HB       GLU  64   6.895 -16.226  -9.712
  523   2HB   GLU  64          2HB       GLU  64   8.058 -15.140  -8.963
  524   1HG   GLU  64          1HG       GLU  64   8.904 -16.805  -7.787
  525   2HG   GLU  64          2HG       GLU  64   7.326 -17.143  -7.076
  526    H    SER  65           H        SER  65   3.794 -14.183  -8.076
  527    HA   SER  65           HA       SER  65   3.912 -12.719 -10.484
  528   1HB   SER  65          1HB       SER  65   2.025 -12.051  -8.235
  529   2HB   SER  65          2HB       SER  65   1.742 -11.968  -9.973
  530    HG   SER  65           HG       SER  65   1.773 -14.203  -8.275
  531    H    THR  66           H        THR  66   3.758 -10.387 -10.740
  532    HA   THR  66           HA       THR  66   5.371  -8.971  -8.723
  533    HB   THR  66           HB       THR  66   5.076  -8.240 -11.639
  534    HG1  THR  66           HG1      THR  66   7.318  -9.129 -11.639
  535   1HG2  THR  66          1HG2      THR  66   6.740  -7.219  -9.402
  536   2HG2  THR  66          2HG2      THR  66   5.940  -6.348 -10.711
  537   3HG2  THR  66          3HG2      THR  66   7.423  -7.249 -11.029
  538    H    ILE  67           H        ILE  67   3.940  -7.953  -7.437
  539    HA   ILE  67           HA       ILE  67   1.681  -6.535  -8.644
  540    HB   ILE  67           HB       ILE  67   2.329  -7.236  -5.784
  541   1HG1  ILE  67          1HG1      ILE  67  -0.274  -7.920  -6.989
  542   2HG1  ILE  67          2HG1      ILE  67   1.112  -8.716  -7.728
  543   1HG2  ILE  67          1HG2      ILE  67   0.194  -6.170  -5.174
  544   2HG2  ILE  67          2HG2      ILE  67   0.054  -5.550  -6.820
  545   3HG2  ILE  67          3HG2      ILE  67   1.376  -5.012  -5.784
  546   1HD1  ILE  67          1HD1      ILE  67   1.016  -8.757  -4.786
  547   2HD1  ILE  67          2HD1      ILE  67   1.496 -10.011  -5.930
  548   3HD1  ILE  67          3HD1      ILE  67  -0.214  -9.700  -5.628
  549    H    HIS  68           H        HIS  68   1.524  -4.367  -8.718
  550    HA   HIS  68           HA       HIS  68   3.862  -2.820  -7.933
  551   1HB   HIS  68          1HB       HIS  68   1.425  -2.181  -9.594
  552   2HB   HIS  68          2HB       HIS  68   2.611  -0.960  -9.144
  553    HD1  HIS  68           HD1      HIS  68   3.809  -0.494 -11.271
  554    HD2  HIS  68           HD2      HIS  68   3.375  -4.568 -10.578
  555    HE1  HIS  68           HE1      HIS  68   5.118  -1.629 -13.093
  556    HE2  HIS  68           HE2      HIS  68   4.923  -4.091 -12.594
  557    H    LEU  69           H        LEU  69   3.945  -1.956  -5.974
  558    HA   LEU  69           HA       LEU  69   1.434  -1.253  -4.620
  559   1HB   LEU  69          1HB       LEU  69   3.003  -2.842  -3.504
  560   2HB   LEU  69          2HB       LEU  69   4.192  -1.556  -3.432
  561    HG   LEU  69           HG       LEU  69   1.500  -1.106  -2.213
  562   1HD1  LEU  69          1HD1      LEU  69   3.300  -2.036  -0.221
  563   2HD1  LEU  69          2HD1      LEU  69   3.181  -3.263  -1.480
  564   3HD1  LEU  69          3HD1      LEU  69   1.724  -2.684  -0.674
  565   1HD2  LEU  69          1HD2      LEU  69   4.241   0.000  -2.013
  566   2HD2  LEU  69          2HD2      LEU  69   3.257  -0.004  -0.549
  567   3HD2  LEU  69          3HD2      LEU  69   2.681   0.821  -1.997
  568    H    VAL  70           H        VAL  70   0.888   0.808  -4.416
  569    HA   VAL  70           HA       VAL  70   2.984   2.855  -4.751
  570    HB   VAL  70           HB       VAL  70   1.168   4.376  -5.502
  571   1HG1  VAL  70          1HG1      VAL  70   1.992   1.935  -6.960
  572   2HG1  VAL  70          2HG1      VAL  70   2.261   3.634  -7.348
  573   3HG1  VAL  70          3HG1      VAL  70   0.691   2.893  -7.666
  574   1HG2  VAL  70          1HG2      VAL  70  -0.928   3.802  -5.027
  575   2HG2  VAL  70          2HG2      VAL  70  -0.465   2.135  -4.684
  576   3HG2  VAL  70          3HG2      VAL  70  -0.820   2.628  -6.339
  577    H    LEU  71           H        LEU  71   3.233   4.379  -3.214
  578    HA   LEU  71           HA       LEU  71   1.735   4.055  -0.750
  579   1HB   LEU  71          1HB       LEU  71   4.344   4.590  -1.232
  580   2HB   LEU  71          2HB       LEU  71   3.737   6.215  -0.975
  581    HG   LEU  71           HG       LEU  71   4.524   5.477   1.126
  582   1HD1  LEU  71          1HD1      LEU  71   2.217   6.526   1.028
  583   2HD1  LEU  71          2HD1      LEU  71   2.620   5.639   2.497
  584   3HD1  LEU  71          3HD1      LEU  71   1.579   4.900   1.279
  585   1HD2  LEU  71          1HD2      LEU  71   3.945   2.927   0.166
  586   2HD2  LEU  71          2HD2      LEU  71   2.898   3.138   1.570
  587   3HD2  LEU  71          3HD2      LEU  71   4.641   3.343   1.733
  588    H    ARG  72           H        ARG  72  -0.176   4.854  -2.187
  589    HA   ARG  72           HA       ARG  72  -1.557   6.553  -2.938
  590   1HB   ARG  72          1HB       ARG  72  -2.508   7.712  -1.095
  591   2HB   ARG  72          2HB       ARG  72  -1.981   6.150  -0.482
  592   1HG   ARG  72          1HG       ARG  72  -0.809   7.173   1.087
  593   2HG   ARG  72          2HG       ARG  72   0.172   7.951  -0.157
  594   1HD   ARG  72          1HD       ARG  72  -2.265   9.347  -0.086
  595   2HD   ARG  72          2HD       ARG  72  -1.792   9.097   1.595
  596    HE   ARG  72           HE       ARG  72  -0.542  10.831  -0.305
  597   1HH1  ARG  72          1HH1      ARG  72   1.382   9.789   3.048
  598   2HH1  ARG  72          2HH1      ARG  72   0.008   8.874   2.523
  599   1HH2  ARG  72          1HH2      ARG  72   1.265  12.044   0.379
  600   2HH2  ARG  72          2HH2      ARG  72   2.096  11.592   1.830
  601    H    LEU  73           H        LEU  73   0.407   7.279  -4.316
  602    HA   LEU  73           HA       LEU  73   0.853  10.126  -3.730
  603   1HB   LEU  73          1HB       LEU  73   2.834   8.156  -3.685
  604   2HB   LEU  73          2HB       LEU  73   3.035   8.955  -5.232
  605    HG   LEU  73           HG       LEU  73   4.436  10.189  -3.873
  606   1HD1  LEU  73          1HD1      LEU  73   2.097  11.417  -4.723
  607   2HD1  LEU  73          2HD1      LEU  73   3.602  12.212  -4.260
  608   3HD1  LEU  73          3HD1      LEU  73   2.321  11.984  -3.069
  609   1HD2  LEU  73          1HD2      LEU  73   4.010  10.778  -1.575
  610   2HD2  LEU  73          2HD2      LEU  73   3.777   9.043  -1.789
  611   3HD2  LEU  73          3HD2      LEU  73   2.380  10.111  -1.672
  612    H    ARG  74           H        ARG  74  -0.503  10.993  -5.206
  613    HA   ARG  74           HA       ARG  74   0.105  10.468  -8.022
  614   1HB   ARG  74          1HB       ARG  74  -2.186   9.475  -6.797
  615   2HB   ARG  74          2HB       ARG  74  -2.737  10.934  -7.610
  616   1HG   ARG  74          1HG       ARG  74  -1.805  10.109  -9.717
  617   2HG   ARG  74          2HG       ARG  74  -1.269   8.641  -8.896
  618   1HD   ARG  74          1HD       ARG  74  -4.144   9.499  -8.857
  619   2HD   ARG  74          2HD       ARG  74  -3.483   8.566 -10.199
  620    HE   ARG  74           HE       ARG  74  -4.055   7.622  -7.536
  621   1HH1  ARG  74          1HH1      ARG  74  -2.048   5.383 -10.180
  622   2HH1  ARG  74          2HH1      ARG  74  -2.251   7.080 -10.465
  623   1HH2  ARG  74          1HH2      ARG  74  -3.794   5.389  -7.150
  624   2HH2  ARG  74          2HH2      ARG  74  -2.924   4.422  -8.295
  625    H    GLY  75           H        GLY  75  -0.169  12.220  -9.391
  626   1HA   GLY  75          1HA       GLY  75  -0.733  14.407  -9.995
  627   2HA   GLY  75          2HA       GLY  75  -1.341  14.675  -8.368
  628    H    GLY  76           H        GLY  76   1.484  14.684 -10.425
  629   1HA   GLY  76          1HA       GLY  76   2.812  16.806  -9.563
  630   2HA   GLY  76          2HA       GLY  76   3.172  15.682  -8.261
  Start of MODEL   11
    1   1H    MET   1          1H        MET   1   2.942 -19.927  -1.660
    2   2H    MET   1          2H        MET   1   4.594 -20.220  -2.022
    3   3H    MET   1          3H        MET   1   3.368 -21.138  -2.796
    4    HA   MET   1           HA       MET   1   4.004 -19.639  -4.373
    5   1HB   MET   1          1HB       MET   1   1.679 -19.652  -4.399
    6   2HB   MET   1          2HB       MET   1   1.553 -18.869  -2.830
    7   1HG   MET   1          1HG       MET   1   1.516 -16.833  -3.727
    8   2HG   MET   1          2HG       MET   1   2.837 -17.201  -4.834
    9   1HE   MET   1          1HE       MET   1  -0.991 -18.460  -4.386
   10   2HE   MET   1          2HE       MET   1  -1.647 -17.422  -5.652
   11   3HE   MET   1          3HE       MET   1  -0.825 -16.709  -4.265
   12    H    GLN   2           H        GLN   2   5.875 -18.510  -4.239
   13    HA   GLN   2           HA       GLN   2   6.187 -16.341  -2.350
   14   1HB   GLN   2          1HB       GLN   2   7.980 -18.044  -3.301
   15   2HB   GLN   2          2HB       GLN   2   8.134 -16.826  -4.559
   16   1HG   GLN   2          1HG       GLN   2   8.988 -15.250  -3.122
   17   2HG   GLN   2          2HG       GLN   2   8.262 -15.998  -1.700
   18   1HE2  GLN   2          1HE2      GLN   2   9.676 -16.884  -0.397
   19   2HE2  GLN   2          2HE2      GLN   2  11.170 -17.623  -0.853
   20    H    LEU   3           H        LEU   3   5.650 -14.301  -2.727
   21    HA   LEU   3           HA       LEU   3   5.187 -13.465  -5.509
   22   1HB   LEU   3          1HB       LEU   3   4.075 -12.292  -2.958
   23   2HB   LEU   3          2HB       LEU   3   3.707 -11.741  -4.582
   24    HG   LEU   3           HG       LEU   3   3.113 -14.561  -3.737
   25   1HD1  LEU   3          1HD1      LEU   3   1.450 -12.098  -3.277
   26   2HD1  LEU   3          2HD1      LEU   3   1.972 -13.297  -2.093
   27   3HD1  LEU   3          3HD1      LEU   3   0.776 -13.727  -3.315
   28   1HD2  LEU   3          1HD2      LEU   3   2.789 -12.997  -6.110
   29   2HD2  LEU   3          2HD2      LEU   3   1.207 -13.481  -5.501
   30   3HD2  LEU   3          3HD2      LEU   3   2.431 -14.703  -5.843
   31    H    PHE   4           H        PHE   4   5.750 -11.272  -6.095
   32    HA   PHE   4           HA       PHE   4   7.965 -10.186  -4.481
   33   1HB   PHE   4          1HB       PHE   4   7.753 -10.218  -7.500
   34   2HB   PHE   4          2HB       PHE   4   9.068  -9.511  -6.566
   35    HD1  PHE   4           HD1      PHE   4  10.996 -10.740  -6.552
   36    HD2  PHE   4           HD2      PHE   4   7.254 -12.781  -6.659
   37    HE1  PHE   4           HE1      PHE   4  12.181 -12.901  -6.579
   38    HE2  PHE   4           HE2      PHE   4   8.431 -14.947  -6.686
   39    HZ   PHE   4           HZ       PHE   4  10.897 -15.008  -6.645
   40    H    VAL   5           H        VAL   5   7.012  -8.488  -3.498
   41    HA   VAL   5           HA       VAL   5   5.233  -6.735  -4.991
   42    HB   VAL   5           HB       VAL   5   6.092  -6.723  -2.097
   43   1HG1  VAL   5          1HG1      VAL   5   4.520  -4.762  -3.695
   44   2HG1  VAL   5          2HG1      VAL   5   5.683  -4.487  -2.398
   45   3HG1  VAL   5          3HG1      VAL   5   4.059  -5.063  -2.020
   46   1HG2  VAL   5          1HG2      VAL   5   4.529  -8.326  -2.000
   47   2HG2  VAL   5          2HG2      VAL   5   3.890  -7.929  -3.595
   48   3HG2  VAL   5          3HG2      VAL   5   3.373  -7.007  -2.184
   49    H    LYS   6           H        LYS   6   5.838  -4.887  -5.908
   50    HA   LYS   6           HA       LYS   6   8.478  -3.784  -5.202
   51   1HB   LYS   6          1HB       LYS   6   8.590  -2.905  -7.494
   52   2HB   LYS   6          2HB       LYS   6   8.431  -4.656  -7.478
   53   1HG   LYS   6          1HG       LYS   6   6.242  -4.590  -8.250
   54   2HG   LYS   6          2HG       LYS   6   6.021  -2.907  -7.768
   55   1HD   LYS   6          1HD       LYS   6   7.960  -3.752  -9.909
   56   2HD   LYS   6          2HD       LYS   6   6.280  -3.334 -10.251
   57   1HE   LYS   6          1HE       LYS   6   8.196  -1.507  -8.816
   58   2HE   LYS   6          2HE       LYS   6   7.937  -1.469 -10.559
   59   1HZ   LYS   6          1HZ       LYS   6   6.323  -0.392  -8.461
   60   2HZ   LYS   6          2HZ       LYS   6   5.423  -1.374  -9.503
   61   3HZ   LYS   6          3HZ       LYS   6   6.293  -0.061 -10.120
   62    H    THR   7           H        THR   7   8.533  -1.791  -4.394
   63    HA   THR   7           HA       THR   7   6.054  -0.277  -4.232
   64    HB   THR   7           HB       THR   7   7.260   1.132  -2.629
   65    HG1  THR   7           HG1      THR   7   9.360   1.036  -2.397
   66   1HG2  THR   7          1HG2      THR   7   8.037  -0.722  -1.017
   67   2HG2  THR   7          2HG2      THR   7   7.393  -1.823  -2.236
   68   3HG2  THR   7          3HG2      THR   7   6.336  -0.635  -1.472
   69    H    LEU   8           H        LEU   8   6.711   2.285  -4.161
   70    HA   LEU   8           HA       LEU   8   7.352   2.867  -6.918
   71   1HB   LEU   8          1HB       LEU   8   5.824   4.088  -4.857
   72   2HB   LEU   8          2HB       LEU   8   7.045   5.239  -5.366
   73    HG   LEU   8           HG       LEU   8   4.918   5.508  -6.584
   74   1HD1  LEU   8          1HD1      LEU   8   5.945   6.072  -8.520
   75   2HD1  LEU   8          2HD1      LEU   8   6.753   4.512  -8.676
   76   3HD1  LEU   8          3HD1      LEU   8   7.389   5.729  -7.569
   77   1HD2  LEU   8          1HD2      LEU   8   4.029   3.870  -8.004
   78   2HD2  LEU   8          2HD2      LEU   8   4.424   3.009  -6.516
   79   3HD2  LEU   8          3HD2      LEU   8   5.486   2.881  -7.917
   80    H    THR   9           H        THR   9   9.181   2.421  -4.211
   81    HA   THR   9           HA       THR   9  11.099   4.544  -4.752
   82    HB   THR   9           HB       THR   9  12.150   3.958  -2.734
   83    HG1  THR   9           HG1      THR   9  11.415   1.891  -1.696
   84   1HG2  THR   9          1HG2      THR   9   9.958   4.892  -2.272
   85   2HG2  THR   9          2HG2      THR   9  10.410   3.701  -1.052
   86   3HG2  THR   9          3HG2      THR   9   9.251   3.278  -2.313
   87    H    GLY  10           H        GLY  10  10.484   2.090  -6.505
   88   1HA   GLY  10          1HA       GLY  10  11.702   0.841  -8.000
   89   2HA   GLY  10          2HA       GLY  10  13.117   1.751  -7.495
   90    H    LYS  11           H        LYS  11  11.410   0.153  -4.994
   91    HA   LYS  11           HA       LYS  11  13.521  -1.896  -4.896
   92   1HB   LYS  11          1HB       LYS  11  12.852  -0.065  -2.979
   93   2HB   LYS  11          2HB       LYS  11  11.912  -1.462  -2.471
   94   1HG   LYS  11          1HG       LYS  11  14.257  -2.665  -2.911
   95   2HG   LYS  11          2HG       LYS  11  14.835  -1.048  -2.503
   96   1HD   LYS  11          1HD       LYS  11  14.656  -1.689  -0.370
   97   2HD   LYS  11          2HD       LYS  11  12.913  -1.519  -0.591
   98   1HE   LYS  11          1HE       LYS  11  14.576  -4.017  -0.805
   99   2HE   LYS  11          2HE       LYS  11  13.281  -3.669   0.340
  100   1HZ   LYS  11          1HZ       LYS  11  12.844  -3.849  -2.586
  101   2HZ   LYS  11          2HZ       LYS  11  11.674  -3.824  -1.366
  102   3HZ   LYS  11          3HZ       LYS  11  12.677  -5.174  -1.546
  103    H    THR  12           H        THR  12  13.006  -4.037  -4.599
  104    HA   THR  12           HA       THR  12  10.142  -4.720  -4.613
  105    HB   THR  12           HB       THR  12  12.232  -6.268  -6.138
  106    HG1  THR  12           HG1      THR  12  11.005  -3.908  -6.785
  107   1HG2  THR  12          1HG2      THR  12   9.806  -6.498  -7.414
  108   2HG2  THR  12          2HG2      THR  12   9.387  -6.571  -5.703
  109   3HG2  THR  12          3HG2      THR  12  10.561  -7.704  -6.372
  110    H    LEU  13           H        LEU  13   9.685  -5.756  -2.795
  111    HA   LEU  13           HA       LEU  13  11.749  -7.403  -1.521
  112   1HB   LEU  13          1HB       LEU  13  10.729  -7.026   0.499
  113   2HB   LEU  13          2HB       LEU  13  10.357  -5.534  -0.343
  114    HG   LEU  13           HG       LEU  13   8.237  -7.308  -0.909
  115   1HD1  LEU  13          1HD1      LEU  13   9.434  -8.134   1.456
  116   2HD1  LEU  13          2HD1      LEU  13   7.805  -8.519   0.904
  117   3HD1  LEU  13          3HD1      LEU  13   8.071  -7.141   1.971
  118   1HD2  LEU  13          1HD2      LEU  13   7.057  -5.478  -0.427
  119   2HD2  LEU  13          2HD2      LEU  13   8.614  -4.685  -0.185
  120   3HD2  LEU  13          3HD2      LEU  13   7.742  -5.357   1.194
  121    H    THR  14           H        THR  14  11.259  -9.519  -0.761
  122    HA   THR  14           HA       THR  14   9.248 -10.867  -2.415
  123    HB   THR  14           HB       THR  14  11.660 -11.920  -0.931
  124    HG1  THR  14           HG1      THR  14  12.600 -11.663  -2.771
  125   1HG2  THR  14          1HG2      THR  14   9.373 -13.357  -2.088
  126   2HG2  THR  14          2HG2      THR  14  10.525 -13.851  -0.846
  127   3HG2  THR  14          3HG2      THR  14  10.970 -13.946  -2.550
  128    H    VAL  15           H        VAL  15   7.667 -12.165  -1.555
  129    HA   VAL  15           HA       VAL  15   7.529 -12.494   1.343
  130    HB   VAL  15           HB       VAL  15   5.002 -11.858   1.100
  131   1HG1  VAL  15          1HG1      VAL  15   5.839 -10.424   2.586
  132   2HG1  VAL  15          2HG1      VAL  15   6.048  -9.305   1.241
  133   3HG1  VAL  15          3HG1      VAL  15   7.387 -10.336   1.746
  134   1HG2  VAL  15          1HG2      VAL  15   4.621 -10.022  -0.478
  135   2HG2  VAL  15          2HG2      VAL  15   5.040 -11.517  -1.313
  136   3HG2  VAL  15          3HG2      VAL  15   6.247 -10.244  -1.126
  137    H    GLU  16           H        GLU  16   5.540 -13.862   1.918
  138    HA   GLU  16           HA       GLU  16   5.037 -15.848  -0.196
  139   1HB   GLU  16          1HB       GLU  16   4.979 -17.033   2.438
  140   2HB   GLU  16          2HB       GLU  16   5.904 -17.512   1.022
  141   1HG   GLU  16          1HG       GLU  16   6.769 -15.242   2.776
  142   2HG   GLU  16          2HG       GLU  16   7.187 -16.915   3.138
  143    H    LEU  17           H        LEU  17   2.951 -16.127  -0.592
  144    HA   LEU  17           HA       LEU  17   1.014 -16.044   1.571
  145   1HB   LEU  17          1HB       LEU  17   1.438 -13.794  -0.077
  146   2HB   LEU  17          2HB       LEU  17  -0.063 -14.522  -0.613
  147    HG   LEU  17           HG       LEU  17  -0.719 -14.500   1.890
  148   1HD1  LEU  17          1HD1      LEU  17   0.588 -12.165   2.611
  149   2HD1  LEU  17          2HD1      LEU  17   1.860 -13.194   1.950
  150   3HD1  LEU  17          3HD1      LEU  17   0.857 -13.775   3.280
  151   1HD2  LEU  17          1HD2      LEU  17  -0.599 -12.191   0.007
  152   2HD2  LEU  17          2HD2      LEU  17  -1.233 -11.954   1.636
  153   3HD2  LEU  17          3HD2      LEU  17  -1.991 -13.126   0.556
  154    H    GLU  18           H        GLU  18  -0.836 -17.217   1.158
  155    HA   GLU  18           HA       GLU  18  -0.733 -18.880  -1.247
  156   1HB   GLU  18          1HB       GLU  18  -1.939 -19.203   1.471
  157   2HB   GLU  18          2HB       GLU  18  -2.567 -20.141   0.129
  158   1HG   GLU  18          1HG       GLU  18  -0.959 -21.609   0.443
  159   2HG   GLU  18          2HG       GLU  18   0.226 -20.370   0.041
  160    HA   PRO  19           HA       PRO  19  -4.164 -17.171  -3.376
  161   1HB   PRO  19          1HB       PRO  19  -5.375 -19.897  -3.247
  162   2HB   PRO  19          2HB       PRO  19  -5.125 -18.841  -4.643
  163   1HG   PRO  19          1HG       PRO  19  -3.531 -20.933  -4.216
  164   2HG   PRO  19          2HG       PRO  19  -2.880 -19.401  -4.827
  165   1HD   PRO  19          1HD       PRO  19  -2.693 -20.589  -2.100
  166   2HD   PRO  19          2HD       PRO  19  -1.523 -19.588  -2.979
  167    H    SER  20           H        SER  20  -4.751 -19.160  -0.549
  168    HA   SER  20           HA       SER  20  -7.475 -18.399  -0.191
  169   1HB   SER  20          1HB       SER  20  -7.312 -19.492   1.962
  170   2HB   SER  20          2HB       SER  20  -6.460 -20.471   0.769
  171    HG   SER  20           HG       SER  20  -5.302 -18.677   2.640
  172    H    ASP  21           H        ASP  21  -4.389 -17.145   0.908
  173    HA   ASP  21           HA       ASP  21  -5.140 -15.482   2.967
  174   1HB   ASP  21          1HB       ASP  21  -3.003 -15.335   0.883
  175   2HB   ASP  21          2HB       ASP  21  -3.267 -13.936   1.920
  176    H    THR  22           H        THR  22  -5.500 -13.158   3.024
  177    HA   THR  22           HA       THR  22  -7.011 -12.207   0.679
  178    HB   THR  22           HB       THR  22  -8.489 -11.005   2.201
  179    HG1  THR  22           HG1      THR  22  -6.550 -11.646   4.006
  180   1HG2  THR  22          1HG2      THR  22  -9.707 -12.851   2.163
  181   2HG2  THR  22          2HG2      THR  22  -8.975 -13.273   3.711
  182   3HG2  THR  22          3HG2      THR  22  -8.277 -13.880   2.211
  183    H    VAL  23           H        VAL  23  -7.012  -9.911   0.311
  184    HA   VAL  23           HA       VAL  23  -4.597  -8.689   0.180
  185    HB   VAL  23           HB       VAL  23  -7.172  -7.198   0.708
  186   1HG1  VAL  23          1HG1      VAL  23  -4.910  -6.254  -1.009
  187   2HG1  VAL  23          2HG1      VAL  23  -4.869  -6.017   0.738
  188   3HG1  VAL  23          3HG1      VAL  23  -6.177  -5.318  -0.216
  189   1HG2  VAL  23          1HG2      VAL  23  -7.933  -8.053  -1.196
  190   2HG2  VAL  23          2HG2      VAL  23  -6.408  -8.892  -1.486
  191   3HG2  VAL  23          3HG2      VAL  23  -6.617  -7.229  -2.035
  192    H    GLU  24           H        GLU  24  -6.763  -8.745   2.944
  193    HA   GLU  24           HA       GLU  24  -5.538  -6.775   4.509
  194   1HB   GLU  24          1HB       GLU  24  -7.692  -8.422   4.815
  195   2HB   GLU  24          2HB       GLU  24  -6.564  -9.117   5.970
  196   1HG   GLU  24          1HG       GLU  24  -6.530  -6.291   6.268
  197   2HG   GLU  24          2HG       GLU  24  -8.206  -6.838   6.262
  198    H    ASN  25           H        ASN  25  -5.098 -10.314   4.683
  199    HA   ASN  25           HA       ASN  25  -3.065 -10.393   6.539
  200   1HB   ASN  25          1HB       ASN  25  -3.154 -12.203   4.124
  201   2HB   ASN  25          2HB       ASN  25  -2.544 -12.576   5.734
  202   1HD2  ASN  25          1HD2      ASN  25  -4.766 -11.256   7.069
  203   2HD2  ASN  25          2HD2      ASN  25  -6.126 -12.308   6.894
  204    H    LEU  26           H        LEU  26  -2.750 -10.129   3.003
  205    HA   LEU  26           HA       LEU  26  -0.012 -10.110   2.761
  206   1HB   LEU  26          1HB       LEU  26  -1.656 -10.017   0.889
  207   2HB   LEU  26          2HB       LEU  26  -1.909  -8.318   1.242
  208    HG   LEU  26           HG       LEU  26   0.173  -7.694   0.430
  209   1HD1  LEU  26          1HD1      LEU  26   1.769  -8.941   1.482
  210   2HD1  LEU  26          2HD1      LEU  26   1.859  -9.640  -0.135
  211   3HD1  LEU  26          3HD1      LEU  26   0.963 -10.471   1.138
  212   1HD2  LEU  26          1HD2      LEU  26  -1.379  -8.648  -1.317
  213   2HD2  LEU  26          2HD2      LEU  26  -0.394 -10.110  -1.272
  214   3HD2  LEU  26          3HD2      LEU  26   0.326  -8.576  -1.762
  215    H    LYS  27           H        LYS  27  -2.139  -7.359   3.477
  216    HA   LYS  27           HA       LYS  27  -0.191  -5.366   3.582
  217   1HB   LYS  27          1HB       LYS  27  -2.510  -5.348   5.481
  218   2HB   LYS  27          2HB       LYS  27  -1.801  -4.013   4.583
  219   1HG   LYS  27          1HG       LYS  27  -2.708  -5.640   2.580
  220   2HG   LYS  27          2HG       LYS  27  -3.931  -5.858   3.834
  221   1HD   LYS  27          1HD       LYS  27  -4.789  -3.839   3.453
  222   2HD   LYS  27          2HD       LYS  27  -3.200  -3.078   3.566
  223   1HE   LYS  27          1HE       LYS  27  -2.918  -3.038   1.329
  224   2HE   LYS  27          2HE       LYS  27  -3.691  -4.606   1.100
  225   1HZ   LYS  27          1HZ       LYS  27  -4.811  -1.973   0.901
  226   2HZ   LYS  27          2HZ       LYS  27  -5.737  -3.002   1.874
  227   3HZ   LYS  27          3HZ       LYS  27  -5.383  -3.439   0.279
  228    H    ALA  28           H        ALA  28  -1.374  -7.554   6.104
  229    HA   ALA  28           HA       ALA  28  -0.022  -6.526   8.294
  230   1HB   ALA  28          1HB       ALA  28  -0.016  -9.429   8.285
  231   2HB   ALA  28          2HB       ALA  28  -1.570  -8.763   7.783
  232   3HB   ALA  28          3HB       ALA  28  -0.875  -8.304   9.337
  233    H    LYS  29           H        LYS  29   1.110  -8.755   5.793
  234    HA   LYS  29           HA       LYS  29   3.626  -9.310   6.944
  235   1HB   LYS  29          1HB       LYS  29   2.984  -9.282   3.993
  236   2HB   LYS  29          2HB       LYS  29   4.238 -10.209   4.803
  237   1HG   LYS  29          1HG       LYS  29   1.371 -10.625   5.525
  238   2HG   LYS  29          2HG       LYS  29   2.045 -11.375   4.077
  239   1HD   LYS  29          1HD       LYS  29   3.931 -11.897   6.035
  240   2HD   LYS  29          2HD       LYS  29   2.386 -12.091   6.869
  241   1HE   LYS  29          1HE       LYS  29   1.724 -13.837   5.524
  242   2HE   LYS  29          2HE       LYS  29   2.752 -13.332   4.183
  243   1HZ   LYS  29          1HZ       LYS  29   4.178 -14.093   6.578
  244   2HZ   LYS  29          2HZ       LYS  29   4.477 -14.499   4.964
  245   3HZ   LYS  29          3HZ       LYS  29   3.316 -15.354   5.849
  246    H    ILE  30           H        ILE  30   2.522  -6.832   4.679
  247    HA   ILE  30           HA       ILE  30   5.090  -5.713   4.196
  248    HB   ILE  30           HB       ILE  30   2.368  -4.433   3.907
  249   1HG1  ILE  30          1HG1      ILE  30   4.115  -5.749   1.816
  250   2HG1  ILE  30          2HG1      ILE  30   2.724  -6.517   2.575
  251   1HG2  ILE  30          1HG2      ILE  30   3.742  -2.611   3.810
  252   2HG2  ILE  30          2HG2      ILE  30   3.808  -3.127   2.126
  253   3HG2  ILE  30          3HG2      ILE  30   5.122  -3.543   3.226
  254   1HD1  ILE  30          1HD1      ILE  30   1.976  -3.961   1.522
  255   2HD1  ILE  30          2HD1      ILE  30   1.353  -5.563   1.131
  256   3HD1  ILE  30          3HD1      ILE  30   2.761  -4.933   0.277
  257    H    GLN  31           H        GLN  31   2.919  -5.533   6.820
  258    HA   GLN  31           HA       GLN  31   3.953  -2.993   7.796
  259   1HB   GLN  31          1HB       GLN  31   1.520  -3.739   8.008
  260   2HB   GLN  31          2HB       GLN  31   2.078  -4.853   9.248
  261   1HG   GLN  31          1HG       GLN  31   2.487  -3.199  10.753
  262   2HG   GLN  31          2HG       GLN  31   2.841  -2.001   9.509
  263   1HE2  GLN  31          1HE2      GLN  31   1.390  -0.948  11.299
  264   2HE2  GLN  31          2HE2      GLN  31  -0.290  -0.884  10.904
  265    H    ASP  32           H        ASP  32   4.408  -6.396   8.254
  266    HA   ASP  32           HA       ASP  32   5.838  -6.086  10.750
  267   1HB   ASP  32          1HB       ASP  32   4.528  -8.200   9.458
  268   2HB   ASP  32          2HB       ASP  32   6.227  -8.646   9.515
  269    H    LYS  33           H        LYS  33   6.552  -6.478   7.353
  270    HA   LYS  33           HA       LYS  33   9.406  -6.762   7.889
  271   1HB   LYS  33          1HB       LYS  33   7.713  -6.967   5.414
  272   2HB   LYS  33          2HB       LYS  33   9.462  -6.821   5.301
  273   1HG   LYS  33          1HG       LYS  33   9.402  -9.059   5.354
  274   2HG   LYS  33          2HG       LYS  33   9.255  -8.826   7.096
  275   1HD   LYS  33          1HD       LYS  33   6.770  -8.845   6.805
  276   2HD   LYS  33          2HD       LYS  33   7.027  -9.288   5.117
  277   1HE   LYS  33          1HE       LYS  33   8.595 -11.080   6.530
  278   2HE   LYS  33          2HE       LYS  33   7.136 -10.929   7.508
  279   1HZ   LYS  33          1HZ       LYS  33   6.413 -12.505   6.090
  280   2HZ   LYS  33          2HZ       LYS  33   7.482 -12.069   4.855
  281   3HZ   LYS  33          3HZ       LYS  33   6.064 -11.180   5.098
  282    H    GLU  34           H        GLU  34   7.243  -4.591   6.073
  283    HA   GLU  34           HA       GLU  34   9.383  -2.591   5.980
  284   1HB   GLU  34          1HB       GLU  34   6.709  -2.654   4.570
  285   2HB   GLU  34          2HB       GLU  34   7.948  -1.426   4.351
  286   1HG   GLU  34          1HG       GLU  34   8.381  -4.344   3.777
  287   2HG   GLU  34          2HG       GLU  34   7.846  -3.175   2.570
  288    H    GLY  35           H        GLY  35   5.976  -2.932   6.935
  289   1HA   GLY  35          1HA       GLY  35   5.070  -1.989   8.909
  290   2HA   GLY  35          2HA       GLY  35   6.406  -0.848   8.947
  291    H    ILE  36           H        ILE  36   4.383  -1.552   6.151
  292    HA   ILE  36           HA       ILE  36   3.649   1.274   6.040
  293    HB   ILE  36           HB       ILE  36   2.949  -0.755   3.943
  294   1HG1  ILE  36          1HG1      ILE  36   5.608   0.583   4.429
  295   2HG1  ILE  36          2HG1      ILE  36   5.279  -1.132   4.202
  296   1HG2  ILE  36          1HG2      ILE  36   3.709   2.128   3.596
  297   2HG2  ILE  36          2HG2      ILE  36   2.061   1.632   3.979
  298   3HG2  ILE  36          3HG2      ILE  36   2.823   1.079   2.488
  299   1HD1  ILE  36          1HD1      ILE  36   6.194  -0.542   2.183
  300   2HD1  ILE  36          2HD1      ILE  36   5.429   1.047   2.179
  301   3HD1  ILE  36          3HD1      ILE  36   4.469  -0.396   1.852
  302    HA   PRO  37           HA       PRO  37  -0.355   0.474   7.800
  303   1HB   PRO  37          1HB       PRO  37  -1.070   2.957   6.341
  304   2HB   PRO  37          2HB       PRO  37  -1.232   2.574   8.058
  305   1HG   PRO  37          1HG       PRO  37   0.662   4.246   7.200
  306   2HG   PRO  37          2HG       PRO  37   0.977   3.104   8.520
  307   1HD   PRO  37          1HD       PRO  37   1.800   2.958   5.647
  308   2HD   PRO  37          2HD       PRO  37   2.706   2.501   7.105
  309    HA   PRO  38           HA       PRO  38  -2.385  -1.667   4.481
  310   1HB   PRO  38          1HB       PRO  38  -4.768  -1.245   6.215
  311   2HB   PRO  38          2HB       PRO  38  -4.141  -2.738   5.509
  312   1HG   PRO  38          1HG       PRO  38  -3.807  -2.216   8.099
  313   2HG   PRO  38          2HG       PRO  38  -2.522  -2.989   7.153
  314   1HD   PRO  38          1HD       PRO  38  -2.744  -0.165   8.098
  315   2HD   PRO  38          2HD       PRO  38  -1.307  -1.198   7.955
  316    H    ASP  39           H        ASP  39  -3.898   1.179   5.965
  317    HA   ASP  39           HA       ASP  39  -5.707   1.731   3.881
  318   1HB   ASP  39          1HB       ASP  39  -5.026   2.870   6.368
  319   2HB   ASP  39          2HB       ASP  39  -4.826   4.150   5.175
  320    H    GLN  40           H        GLN  40  -2.338   2.571   4.368
  321    HA   GLN  40           HA       GLN  40  -2.331   4.288   2.011
  322   1HB   GLN  40          1HB       GLN  40  -0.207   3.600   4.043
  323   2HB   GLN  40          2HB       GLN  40   0.103   4.593   2.625
  324   1HG   GLN  40          1HG       GLN  40  -2.184   5.626   3.955
  325   2HG   GLN  40          2HG       GLN  40  -0.906   5.378   5.144
  326   1HE2  GLN  40          1HE2      GLN  40  -1.510   7.866   4.900
  327   2HE2  GLN  40          2HE2      GLN  40  -0.394   8.751   3.921
  328    H    GLN  41           H        GLN  41  -2.447   1.136   2.298
  329    HA   GLN  41           HA       GLN  41  -0.216   0.475   0.530
  330   1HB   GLN  41          1HB       GLN  41  -1.969  -1.032   2.365
  331   2HB   GLN  41          2HB       GLN  41  -1.531  -1.873   0.884
  332   1HG   GLN  41          1HG       GLN  41   0.850  -1.443   1.395
  333   2HG   GLN  41          2HG       GLN  41   0.355  -0.724   2.927
  334   1HE2  GLN  41          1HE2      GLN  41   0.334  -2.014   4.615
  335   2HE2  GLN  41          2HE2      GLN  41   0.234  -3.738   4.579
  336    H    ARG  42           H        ARG  42  -0.833   1.341  -1.433
  337    HA   ARG  42           HA       ARG  42  -3.397   0.510  -2.569
  338   1HB   ARG  42          1HB       ARG  42  -2.322   2.916  -2.655
  339   2HB   ARG  42          2HB       ARG  42  -1.449   2.248  -4.026
  340   1HG   ARG  42          1HG       ARG  42  -3.307   2.116  -5.330
  341   2HG   ARG  42          2HG       ARG  42  -4.390   1.880  -3.956
  342   1HD   ARG  42          1HD       ARG  42  -4.610   4.114  -3.567
  343   2HD   ARG  42          2HD       ARG  42  -2.995   4.488  -4.167
  344    HE   ARG  42           HE       ARG  42  -4.870   3.627  -6.188
  345   1HH1  ARG  42          1HH1      ARG  42  -3.920   7.482  -5.669
  346   2HH1  ARG  42          2HH1      ARG  42  -3.512   6.322  -4.450
  347   1HH2  ARG  42          1HH2      ARG  42  -5.412   5.147  -7.801
  348   2HH2  ARG  42          2HH2      ARG  42  -5.001   6.814  -7.574
  349    H    LEU  43           H        LEU  43  -3.082  -1.629  -3.102
  350    HA   LEU  43           HA       LEU  43  -0.774  -2.379  -4.705
  351   1HB   LEU  43          1HB       LEU  43  -3.090  -4.047  -3.720
  352   2HB   LEU  43          2HB       LEU  43  -1.650  -4.662  -4.510
  353    HG   LEU  43           HG       LEU  43  -1.675  -3.233  -1.850
  354   1HD1  LEU  43          1HD1      LEU  43  -2.733  -5.607  -2.106
  355   2HD1  LEU  43          2HD1      LEU  43  -1.630  -5.261  -0.773
  356   3HD1  LEU  43          3HD1      LEU  43  -1.050  -6.128  -2.196
  357   1HD2  LEU  43          1HD2      LEU  43   0.643  -4.160  -1.712
  358   2HD2  LEU  43          2HD2      LEU  43   0.426  -2.910  -2.937
  359   3HD2  LEU  43          3HD2      LEU  43   0.504  -4.606  -3.413
  360    H    ILE  44           H        ILE  44  -0.773  -2.615  -6.845
  361    HA   ILE  44           HA       ILE  44  -3.360  -2.695  -8.252
  362    HB   ILE  44           HB       ILE  44  -0.954  -1.305  -9.398
  363   1HG1  ILE  44          1HG1      ILE  44  -1.639  -0.290  -7.182
  364   2HG1  ILE  44          2HG1      ILE  44  -1.715   0.798  -8.565
  365   1HG2  ILE  44          1HG2      ILE  44  -2.656  -0.186 -10.773
  366   2HG2  ILE  44          2HG2      ILE  44  -3.911  -1.124  -9.963
  367   3HG2  ILE  44          3HG2      ILE  44  -2.703  -1.940 -10.955
  368   1HD1  ILE  44          1HD1      ILE  44  -4.046   0.752  -8.618
  369   2HD1  ILE  44          2HD1      ILE  44  -3.639   0.856  -6.905
  370   3HD1  ILE  44          3HD1      ILE  44  -4.129  -0.688  -7.603
  371    H    PHE  45           H        PHE  45  -3.313  -4.878  -8.674
  372    HA   PHE  45           HA       PHE  45  -0.986  -5.937 -10.115
  373   1HB   PHE  45          1HB       PHE  45  -1.702  -7.206  -8.138
  374   2HB   PHE  45          2HB       PHE  45  -3.308  -7.396  -8.836
  375    HD1  PHE  45           HD1      PHE  45   0.227  -7.941  -9.929
  376    HD2  PHE  45           HD2      PHE  45  -3.749  -9.463  -9.705
  377    HE1  PHE  45           HE1      PHE  45   0.962 -10.011 -11.049
  378    HE2  PHE  45           HE2      PHE  45  -3.022 -11.537 -10.823
  379    HZ   PHE  45           HZ       PHE  45  -0.664 -11.811 -11.496
  380    H    ALA  46           H        ALA  46  -1.078  -6.310 -12.230
  381    HA   ALA  46           HA       ALA  46  -1.862  -6.393 -14.368
  382   1HB   ALA  46          1HB       ALA  46  -2.695  -8.490 -14.171
  383   2HB   ALA  46          2HB       ALA  46  -4.225  -7.646 -14.418
  384   3HB   ALA  46          3HB       ALA  46  -3.708  -8.078 -12.788
  385    H    GLY  47           H        GLY  47  -2.481  -4.015 -12.850
  386   1HA   GLY  47          1HA       GLY  47  -3.558  -2.042 -13.437
  387   2HA   GLY  47          2HA       GLY  47  -4.521  -2.946 -14.594
  388    H    LYS  48           H        LYS  48  -4.963  -4.786 -12.059
  389    HA   LYS  48           HA       LYS  48  -7.421  -3.418 -11.292
  390   1HB   LYS  48          1HB       LYS  48  -6.619  -6.151 -11.608
  391   2HB   LYS  48          2HB       LYS  48  -7.186  -5.910  -9.960
  392   1HG   LYS  48          1HG       LYS  48  -9.142  -4.648 -11.280
  393   2HG   LYS  48          2HG       LYS  48  -8.666  -5.820 -12.510
  394   1HD   LYS  48          1HD       LYS  48  -8.821  -7.089  -9.936
  395   2HD   LYS  48          2HD       LYS  48 -10.329  -6.244 -10.289
  396   1HE   LYS  48          1HE       LYS  48  -8.986  -8.425 -11.854
  397   2HE   LYS  48          2HE       LYS  48 -10.615  -8.397 -11.179
  398   1HZ   LYS  48          1HZ       LYS  48 -11.116  -7.919 -13.315
  399   2HZ   LYS  48          2HZ       LYS  48  -9.608  -7.229 -13.652
  400   3HZ   LYS  48          3HZ       LYS  48 -10.778  -6.337 -12.817
  401    H    GLN  49           H        GLN  49  -7.577  -2.286  -9.483
  402    HA   GLN  49           HA       GLN  49  -5.430  -2.253  -7.573
  403   1HB   GLN  49          1HB       GLN  49  -6.757  -0.232  -8.289
  404   2HB   GLN  49          2HB       GLN  49  -8.108  -0.874  -7.365
  405   1HG   GLN  49          1HG       GLN  49  -5.970  -0.918  -5.596
  406   2HG   GLN  49          2HG       GLN  49  -5.797   0.601  -6.474
  407   1HE2  GLN  49          1HE2      GLN  49  -6.371   1.926  -4.808
  408   2HE2  GLN  49          2HE2      GLN  49  -7.961   1.981  -4.136
  409    H    LEU  50           H        LEU  50  -5.267  -3.979  -6.270
  410    HA   LEU  50           HA       LEU  50  -7.144  -5.770  -5.462
  411   1HB   LEU  50          1HB       LEU  50  -4.887  -4.679  -3.779
  412   2HB   LEU  50          2HB       LEU  50  -5.760  -6.164  -3.452
  413    HG   LEU  50           HG       LEU  50  -3.726  -5.590  -5.553
  414   1HD1  LEU  50          1HD1      LEU  50  -3.759  -8.264  -4.645
  415   2HD1  LEU  50          2HD1      LEU  50  -3.972  -7.225  -3.237
  416   3HD1  LEU  50          3HD1      LEU  50  -2.578  -7.003  -4.293
  417   1HD2  LEU  50          1HD2      LEU  50  -4.448  -7.606  -6.784
  418   2HD2  LEU  50          2HD2      LEU  50  -5.616  -6.288  -6.878
  419   3HD2  LEU  50          3HD2      LEU  50  -5.910  -7.653  -5.799
  420    H    GLU  51           H        GLU  51  -8.993  -5.653  -4.388
  421    HA   GLU  51           HA       GLU  51  -9.532  -3.291  -2.743
  422   1HB   GLU  51          1HB       GLU  51 -11.233  -5.267  -4.198
  423   2HB   GLU  51          2HB       GLU  51 -11.913  -4.446  -2.800
  424   1HG   GLU  51          1HG       GLU  51 -11.585  -2.307  -3.811
  425   2HG   GLU  51          2HG       GLU  51 -10.688  -3.025  -5.149
  426    H    ASP  52           H        ASP  52  -9.267  -3.442  -0.624
  427    HA   ASP  52           HA       ASP  52  -8.551  -5.623   0.834
  428   1HB   ASP  52          1HB       ASP  52  -9.893  -4.272   2.731
  429   2HB   ASP  52          2HB       ASP  52  -8.326  -3.759   2.119
  430    H    GLY  53           H        GLY  53  -9.508  -7.522   1.103
  431   1HA   GLY  53          1HA       GLY  53 -11.405  -8.570   2.342
  432   2HA   GLY  53          2HA       GLY  53 -12.454  -7.573   1.345
  433    H    ARG  54           H        ARG  54 -10.129  -8.321  -0.736
  434    HA   ARG  54           HA       ARG  54 -11.627 -10.605  -1.783
  435   1HB   ARG  54          1HB       ARG  54  -9.672  -8.677  -3.027
  436   2HB   ARG  54          2HB       ARG  54 -10.198 -10.138  -3.854
  437   1HG   ARG  54          1HG       ARG  54 -11.924  -7.839  -2.962
  438   2HG   ARG  54          2HG       ARG  54 -11.511  -8.286  -4.618
  439   1HD   ARG  54          1HD       ARG  54 -12.576 -10.605  -3.717
  440   2HD   ARG  54          2HD       ARG  54 -13.507  -9.433  -2.786
  441    HE   ARG  54           HE       ARG  54 -13.607  -8.481  -5.332
  442   1HH1  ARG  54          1HH1      ARG  54 -15.620 -11.923  -4.976
  443   2HH1  ARG  54          2HH1      ARG  54 -14.372 -11.532  -3.840
  444   1HH2  ARG  54          1HH2      ARG  54 -15.248  -8.983  -6.834
  445   2HH2  ARG  54          2HH2      ARG  54 -16.118 -10.473  -6.679
  446    H    THR  55           H        THR  55 -10.621 -12.528  -2.436
  447    HA   THR  55           HA       THR  55  -8.212 -13.160  -0.927
  448    HB   THR  55           HB       THR  55  -8.757 -15.524  -1.756
  449    HG1  THR  55           HG1      THR  55 -11.343 -14.594  -2.217
  450   1HG2  THR  55          1HG2      THR  55 -10.837 -14.131  -0.088
  451   2HG2  THR  55          2HG2      THR  55  -9.329 -14.828   0.504
  452   3HG2  THR  55          3HG2      THR  55 -10.572 -15.873  -0.184
  453    H    LEU  56           H        LEU  56  -6.288 -13.777  -1.805
  454    HA   LEU  56           HA       LEU  56  -5.402 -12.749  -4.173
  455   1HB   LEU  56          1HB       LEU  56  -4.438 -15.247  -2.782
  456   2HB   LEU  56          2HB       LEU  56  -3.560 -14.424  -4.057
  457    HG   LEU  56           HG       LEU  56  -3.981 -13.607  -1.221
  458   1HD1  LEU  56          1HD1      LEU  56  -1.727 -13.936  -3.133
  459   2HD1  LEU  56          2HD1      LEU  56  -1.878 -14.470  -1.458
  460   3HD1  LEU  56          3HD1      LEU  56  -1.558 -12.773  -1.818
  461   1HD2  LEU  56          1HD2      LEU  56  -4.902 -11.764  -2.597
  462   2HD2  LEU  56          2HD2      LEU  56  -3.349 -11.655  -3.428
  463   3HD2  LEU  56          3HD2      LEU  56  -3.451 -11.311  -1.702
  464    H    SER  57           H        SER  57  -6.956 -15.860  -3.648
  465    HA   SER  57           HA       SER  57  -6.463 -16.926  -6.224
  466   1HB   SER  57          1HB       SER  57  -7.388 -18.740  -5.293
  467   2HB   SER  57          2HB       SER  57  -7.736 -17.785  -3.852
  468    HG   SER  57           HG       SER  57  -9.713 -17.158  -4.908
  469    H    ASP  58           H        ASP  58  -8.529 -14.462  -5.134
  470    HA   ASP  58           HA       ASP  58 -10.572 -14.768  -7.126
  471   1HB   ASP  58          1HB       ASP  58  -9.865 -12.477  -5.286
  472   2HB   ASP  58          2HB       ASP  58 -11.250 -12.467  -6.374
  473    H    TYR  59           H        TYR  59  -7.438 -13.384  -7.019
  474    HA   TYR  59           HA       TYR  59  -7.942 -11.917  -9.521
  475   1HB   TYR  59          1HB       TYR  59  -5.722 -11.597  -7.492
  476   2HB   TYR  59          2HB       TYR  59  -5.825 -10.709  -9.009
  477    HD1  TYR  59           HD1      TYR  59  -6.377 -10.431  -5.620
  478    HD2  TYR  59           HD2      TYR  59  -8.308  -9.599  -9.329
  479    HE1  TYR  59           HE1      TYR  59  -7.754  -8.714  -4.511
  480    HE2  TYR  59           HE2      TYR  59  -9.689  -7.880  -8.230
  481    HH   TYR  59           HH       TYR  59 -10.034  -6.716  -6.353
  482    H    ASN  60           H        ASN  60  -7.506 -14.813  -9.248
  483    HA   ASN  60           HA       ASN  60  -6.165 -16.511 -10.025
  484   1HB   ASN  60          1HB       ASN  60  -5.369 -15.931 -12.443
  485   2HB   ASN  60          2HB       ASN  60  -7.093 -16.031 -12.100
  486   1HD2  ASN  60          1HD2      ASN  60  -4.555 -14.090 -13.217
  487   2HD2  ASN  60          2HD2      ASN  60  -5.443 -12.621 -13.414
  488    H    LEU  61           H        LEU  61  -4.672 -15.403  -8.183
  489    HA   LEU  61           HA       LEU  61  -2.170 -14.413  -9.235
  490   1HB   LEU  61          1HB       LEU  61  -3.457 -14.619  -6.632
  491   2HB   LEU  61          2HB       LEU  61  -1.760 -15.058  -6.570
  492    HG   LEU  61           HG       LEU  61  -2.892 -12.441  -7.566
  493   1HD1  LEU  61          1HD1      LEU  61  -0.986 -12.267  -5.430
  494   2HD1  LEU  61          2HD1      LEU  61  -2.317 -13.331  -4.973
  495   3HD1  LEU  61          3HD1      LEU  61  -2.648 -11.680  -5.498
  496   1HD2  LEU  61          1HD2      LEU  61  -0.501 -11.759  -7.686
  497   2HD2  LEU  61          2HD2      LEU  61  -0.963 -12.974  -8.878
  498   3HD2  LEU  61          3HD2      LEU  61  -0.056 -13.448  -7.442
  499    H    GLN  62           H        GLN  62  -0.602 -15.672  -9.968
  500    HA   GLN  62           HA       GLN  62  -0.514 -18.476  -9.086
  501   1HB   GLN  62          1HB       GLN  62   0.529 -17.145 -11.588
  502   2HB   GLN  62          2HB       GLN  62   0.875 -18.815 -11.159
  503   1HG   GLN  62          1HG       GLN  62  -1.709 -19.035 -11.024
  504   2HG   GLN  62          2HG       GLN  62  -1.699 -17.575 -12.010
  505   1HE2  GLN  62          1HE2      GLN  62  -2.274 -18.258 -13.965
  506   2HE2  GLN  62          2HE2      GLN  62  -1.497 -19.521 -14.851
  507    H    LYS  63           H        LYS  63   1.675 -19.457  -8.958
  508    HA   LYS  63           HA       LYS  63   3.269 -18.266  -7.071
  509   1HB   LYS  63          1HB       LYS  63   3.537 -20.589  -7.471
  510   2HB   LYS  63          2HB       LYS  63   3.928 -20.329  -9.166
  511   1HG   LYS  63          1HG       LYS  63   6.091 -20.102  -8.723
  512   2HG   LYS  63          2HG       LYS  63   5.779 -18.956  -7.418
  513   1HD   LYS  63          1HD       LYS  63   5.038 -21.101  -6.114
  514   2HD   LYS  63          2HD       LYS  63   6.033 -21.929  -7.314
  515   1HE   LYS  63          1HE       LYS  63   7.982 -20.885  -6.604
  516   2HE   LYS  63          2HE       LYS  63   7.107 -19.568  -5.822
  517   1HZ   LYS  63          1HZ       LYS  63   8.007 -21.035  -4.168
  518   2HZ   LYS  63          2HZ       LYS  63   7.272 -22.380  -4.882
  519   3HZ   LYS  63          3HZ       LYS  63   6.322 -21.181  -4.160
  520    H    GLU  64           H        GLU  64   4.964 -16.879  -7.041
  521    HA   GLU  64           HA       GLU  64   6.367 -15.225  -7.723
  522   1HB   GLU  64          1HB       GLU  64   7.508 -17.129  -8.813
  523   2HB   GLU  64          2HB       GLU  64   6.536 -16.870 -10.255
  524   1HG   GLU  64          1HG       GLU  64   7.977 -14.497  -9.333
  525   2HG   GLU  64          2HG       GLU  64   9.011 -15.837  -9.828
  526    H    SER  65           H        SER  65   4.819 -13.586  -7.771
  527    HA   SER  65           HA       SER  65   3.963 -12.806 -10.477
  528   1HB   SER  65          1HB       SER  65   2.275 -12.080  -8.115
  529   2HB   SER  65          2HB       SER  65   1.806 -12.304  -9.800
  530    HG   SER  65           HG       SER  65   2.270 -14.234  -7.807
  531    H    THR  66           H        THR  66   3.710 -10.526 -10.817
  532    HA   THR  66           HA       THR  66   5.395  -8.935  -9.000
  533    HB   THR  66           HB       THR  66   4.801  -7.974 -11.751
  534    HG1  THR  66           HG1      THR  66   5.734  -9.576 -12.702
  535   1HG2  THR  66          1HG2      THR  66   6.494  -6.628 -11.325
  536   2HG2  THR  66          2HG2      THR  66   7.560  -8.011 -11.087
  537   3HG2  THR  66          3HG2      THR  66   6.657  -7.350  -9.725
  538    H    ILE  67           H        ILE  67   4.368  -7.499  -7.790
  539    HA   ILE  67           HA       ILE  67   1.871  -6.317  -8.821
  540    HB   ILE  67           HB       ILE  67   2.535  -6.866  -5.927
  541   1HG1  ILE  67          1HG1      ILE  67   0.202  -8.224  -6.962
  542   2HG1  ILE  67          2HG1      ILE  67   1.629  -8.649  -7.900
  543   1HG2  ILE  67          1HG2      ILE  67  -0.107  -6.425  -5.962
  544   2HG2  ILE  67          2HG2      ILE  67   0.380  -5.388  -7.302
  545   3HG2  ILE  67          3HG2      ILE  67   1.081  -5.149  -5.701
  546   1HD1  ILE  67          1HD1      ILE  67   0.868  -9.415  -5.205
  547   2HD1  ILE  67          2HD1      ILE  67   2.528  -8.832  -5.319
  548   3HD1  ILE  67          3HD1      ILE  67   1.993 -10.175  -6.329
  549    H    HIS  68           H        HIS  68   1.728  -4.151  -8.844
  550    HA   HIS  68           HA       HIS  68   4.047  -2.636  -7.909
  551   1HB   HIS  68          1HB       HIS  68   1.735  -1.807  -9.678
  552   2HB   HIS  68          2HB       HIS  68   3.121  -0.798  -9.279
  553    HD1  HIS  68           HD1      HIS  68   4.206  -0.606 -11.530
  554    HD2  HIS  68           HD2      HIS  68   3.380  -4.543 -10.488
  555    HE1  HIS  68           HE1      HIS  68   5.312  -2.014 -13.294
  556    HE2  HIS  68           HE2      HIS  68   4.886  -4.394 -12.586
  557    H    LEU  69           H        LEU  69   3.905  -1.988  -5.857
  558    HA   LEU  69           HA       LEU  69   1.315  -1.227  -4.748
  559   1HB   LEU  69          1HB       LEU  69   2.519  -2.659  -3.313
  560   2HB   LEU  69          2HB       LEU  69   4.011  -1.768  -3.540
  561    HG   LEU  69           HG       LEU  69   2.788  -1.511  -1.301
  562   1HD1  LEU  69          1HD1      LEU  69   3.885   0.433  -0.992
  563   2HD1  LEU  69          2HD1      LEU  69   3.169   1.189  -2.416
  564   3HD1  LEU  69          3HD1      LEU  69   4.524   0.075  -2.596
  565   1HD2  LEU  69          1HD2      LEU  69   0.736  -0.669  -1.238
  566   2HD2  LEU  69          2HD2      LEU  69   0.690  -0.791  -2.997
  567   3HD2  LEU  69          3HD2      LEU  69   1.214   0.708  -2.231
  568    H    VAL  70           H        VAL  70   0.705   0.811  -4.432
  569    HA   VAL  70           HA       VAL  70   2.747   2.926  -4.652
  570    HB   VAL  70           HB       VAL  70   0.330   4.118  -5.348
  571   1HG1  VAL  70          1HG1      VAL  70   2.850   4.115  -6.257
  572   2HG1  VAL  70          2HG1      VAL  70   1.499   4.811  -7.154
  573   3HG1  VAL  70          3HG1      VAL  70   2.074   3.188  -7.541
  574   1HG2  VAL  70          1HG2      VAL  70  -0.610   1.837  -5.649
  575   2HG2  VAL  70          2HG2      VAL  70   0.607   1.544  -6.890
  576   3HG2  VAL  70          3HG2      VAL  70  -0.607   2.801  -7.125
  577    H    LEU  71           H        LEU  71   2.753   4.474  -3.122
  578    HA   LEU  71           HA       LEU  71   1.124   4.078  -0.786
  579   1HB   LEU  71          1HB       LEU  71   3.324   5.988  -1.512
  580   2HB   LEU  71          2HB       LEU  71   2.401   6.193  -0.036
  581    HG   LEU  71           HG       LEU  71   4.518   5.018   0.362
  582   1HD1  LEU  71          1HD1      LEU  71   2.233   3.098   0.723
  583   2HD1  LEU  71          2HD1      LEU  71   2.421   4.560   1.689
  584   3HD1  LEU  71          3HD1      LEU  71   3.658   3.304   1.742
  585   1HD2  LEU  71          1HD2      LEU  71   3.386   2.817  -1.354
  586   2HD2  LEU  71          2HD2      LEU  71   4.945   2.833  -0.530
  587   3HD2  LEU  71          3HD2      LEU  71   4.644   3.940  -1.869
  588    H    ARG  72           H        ARG  72  -0.599   5.224  -0.119
  589    HA   ARG  72           HA       ARG  72  -2.046   6.795  -1.960
  590   1HB   ARG  72          1HB       ARG  72  -2.870   5.437   0.092
  591   2HB   ARG  72          2HB       ARG  72  -2.518   6.899   1.004
  592   1HG   ARG  72          1HG       ARG  72  -3.990   7.810  -1.147
  593   2HG   ARG  72          2HG       ARG  72  -4.759   6.279  -0.723
  594   1HD   ARG  72          1HD       ARG  72  -4.953   7.025   1.600
  595   2HD   ARG  72          2HD       ARG  72  -4.186   8.554   1.174
  596    HE   ARG  72           HE       ARG  72  -6.200   9.279   0.392
  597   1HH1  ARG  72          1HH1      ARG  72  -7.912   5.675   0.071
  598   2HH1  ARG  72          2HH1      ARG  72  -6.241   5.800   0.507
  599   1HH2  ARG  72          1HH2      ARG  72  -8.403   9.128  -0.183
  600   2HH2  ARG  72          2HH2      ARG  72  -9.141   7.568  -0.322
  601    H    LEU  73           H        LEU  73  -0.030   8.204  -2.346
  602    HA   LEU  73           HA       LEU  73   0.814  10.319  -2.354
  603   1HB   LEU  73          1HB       LEU  73  -1.356  10.989  -0.369
  604   2HB   LEU  73          2HB       LEU  73  -0.444  12.119  -1.351
  605    HG   LEU  73           HG       LEU  73  -2.109  10.019  -2.686
  606   1HD1  LEU  73          1HD1      LEU  73  -4.025  10.834  -1.930
  607   2HD1  LEU  73          2HD1      LEU  73  -3.583  12.435  -2.521
  608   3HD1  LEU  73          3HD1      LEU  73  -3.148  11.949  -0.882
  609   1HD2  LEU  73          1HD2      LEU  73  -0.718  12.492  -3.402
  610   2HD2  LEU  73          2HD2      LEU  73  -2.343  12.349  -4.071
  611   3HD2  LEU  73          3HD2      LEU  73  -1.143  11.098  -4.394
  612    H    ARG  74           H        ARG  74   2.750   9.714  -1.393
  613    HA   ARG  74           HA       ARG  74   3.406   9.072   1.130
  614   1HB   ARG  74          1HB       ARG  74   5.101   9.265  -0.571
  615   2HB   ARG  74          2HB       ARG  74   4.865  11.004  -0.676
  616   1HG   ARG  74          1HG       ARG  74   5.541  10.117   2.010
  617   2HG   ARG  74          2HG       ARG  74   6.776   9.716   0.815
  618   1HD   ARG  74          1HD       ARG  74   5.702  12.407   1.586
  619   2HD   ARG  74          2HD       ARG  74   7.373  11.846   1.574
  620    HE   ARG  74           HE       ARG  74   5.861  12.877  -0.660
  621   1HH1  ARG  74          1HH1      ARG  74   9.505  11.280  -1.111
  622   2HH1  ARG  74          2HH1      ARG  74   8.631  11.031   0.362
  623   1HH2  ARG  74          1HH2      ARG  74   7.002  13.211  -2.607
  624   2HH2  ARG  74          2HH2      ARG  74   8.579  12.520  -2.800
  625    H    GLY  75           H        GLY  75   3.378   9.941   3.117
  626   1HA   GLY  75          1HA       GLY  75   3.850  12.156   4.304
  627   2HA   GLY  75          2HA       GLY  75   2.509  12.750   3.338
  628    H    GLY  76           H        GLY  76   2.872  12.523   6.280
  629   1HA   GLY  76          1HA       GLY  76   0.233  11.706   6.916
  630   2HA   GLY  76          2HA       GLY  76   1.378  10.465   7.403
  Start of MODEL   12
    1   1H    MET   1          1H        MET   1   3.377 -20.877  -1.481
    2   2H    MET   1          2H        MET   1   1.842 -20.820  -2.250
    3   3H    MET   1          3H        MET   1   2.370 -19.505  -1.283
    4    HA   MET   1           HA       MET   1   4.008 -20.323  -3.533
    5   1HB   MET   1          1HB       MET   1   2.653 -19.078  -5.087
    6   2HB   MET   1          2HB       MET   1   1.638 -20.291  -4.320
    7   1HG   MET   1          1HG       MET   1   0.574 -18.681  -2.960
    8   2HG   MET   1          2HG       MET   1   1.761 -17.445  -3.374
    9   1HE   MET   1          1HE       MET   1  -1.823 -16.489  -4.722
   10   2HE   MET   1          2HE       MET   1  -1.105 -17.058  -3.215
   11   3HE   MET   1          3HE       MET   1  -2.011 -18.174  -4.236
   12    H    GLN   2           H        GLN   2   5.377 -18.651  -4.153
   13    HA   GLN   2           HA       GLN   2   5.627 -16.502  -2.188
   14   1HB   GLN   2          1HB       GLN   2   7.502 -17.713  -4.200
   15   2HB   GLN   2          2HB       GLN   2   7.853 -16.155  -3.465
   16   1HG   GLN   2          1HG       GLN   2   7.160 -17.933  -1.381
   17   2HG   GLN   2          2HG       GLN   2   8.306 -18.764  -2.433
   18   1HE2  GLN   2          1HE2      GLN   2   7.882 -16.405  -0.030
   19   2HE2  GLN   2          2HE2      GLN   2   9.513 -15.843   0.044
   20    H    LEU   3           H        LEU   3   5.656 -14.340  -2.716
   21    HA   LEU   3           HA       LEU   3   5.056 -13.626  -5.502
   22   1HB   LEU   3          1HB       LEU   3   3.681 -12.229  -3.235
   23   2HB   LEU   3          2HB       LEU   3   3.241 -12.271  -4.932
   24    HG   LEU   3           HG       LEU   3   3.132 -14.784  -3.308
   25   1HD1  LEU   3          1HD1      LEU   3   0.746 -14.252  -2.838
   26   2HD1  LEU   3          2HD1      LEU   3   1.063 -12.598  -3.361
   27   3HD1  LEU   3          3HD1      LEU   3   1.896 -13.252  -1.951
   28   1HD2  LEU   3          1HD2      LEU   3   1.000 -14.355  -5.167
   29   2HD2  LEU   3          2HD2      LEU   3   2.246 -15.604  -5.170
   30   3HD2  LEU   3          3HD2      LEU   3   2.547 -14.056  -5.961
   31    H    PHE   4           H        PHE   4   5.622 -11.477  -6.099
   32    HA   PHE   4           HA       PHE   4   7.726 -10.346  -4.389
   33   1HB   PHE   4          1HB       PHE   4   7.301  -9.605  -7.270
   34   2HB   PHE   4          2HB       PHE   4   8.777  -9.524  -6.315
   35    HD1  PHE   4           HD1      PHE   4   8.056 -10.878  -9.097
   36    HD2  PHE   4           HD2      PHE   4   8.649 -12.296  -5.119
   37    HE1  PHE   4           HE1      PHE   4   8.745 -13.071  -9.986
   38    HE2  PHE   4           HE2      PHE   4   9.341 -14.493  -6.001
   39    HZ   PHE   4           HZ       PHE   4   9.388 -14.882  -8.438
   40    H    VAL   5           H        VAL   5   7.777  -8.161  -3.891
   41    HA   VAL   5           HA       VAL   5   5.444  -6.558  -4.677
   42    HB   VAL   5           HB       VAL   5   6.505  -6.678  -1.851
   43   1HG1  VAL   5          1HG1      VAL   5   5.095  -5.001  -1.321
   44   2HG1  VAL   5          2HG1      VAL   5   3.853  -5.544  -2.450
   45   3HG1  VAL   5          3HG1      VAL   5   5.234  -4.615  -3.035
   46   1HG2  VAL   5          1HG2      VAL   5   3.912  -7.554  -1.760
   47   2HG2  VAL   5          2HG2      VAL   5   5.341  -8.586  -1.710
   48   3HG2  VAL   5          3HG2      VAL   5   4.513  -8.302  -3.241
   49    H    LYS   6           H        LYS   6   6.243  -4.877  -5.746
   50    HA   LYS   6           HA       LYS   6   8.792  -3.709  -4.867
   51   1HB   LYS   6          1HB       LYS   6   9.092  -2.877  -7.058
   52   2HB   LYS   6          2HB       LYS   6   8.494  -4.518  -7.260
   53   1HG   LYS   6          1HG       LYS   6   6.268  -3.681  -7.727
   54   2HG   LYS   6          2HG       LYS   6   6.816  -2.025  -7.450
   55   1HD   LYS   6          1HD       LYS   6   8.332  -3.602  -9.438
   56   2HD   LYS   6          2HD       LYS   6   6.688  -3.145  -9.885
   57   1HE   LYS   6          1HE       LYS   6   7.165  -0.900  -9.883
   58   2HE   LYS   6          2HE       LYS   6   8.482  -1.073  -8.724
   59   1HZ   LYS   6          1HZ       LYS   6   8.504  -1.403 -11.626
   60   2HZ   LYS   6          2HZ       LYS   6   9.521  -2.408 -10.725
   61   3HZ   LYS   6          3HZ       LYS   6   9.674  -0.728 -10.606
   62    H    THR   7           H        THR   7   8.956  -1.295  -5.194
   63    HA   THR   7           HA       THR   7   6.434   0.011  -4.410
   64    HB   THR   7           HB       THR   7   8.106   1.647  -3.220
   65    HG1  THR   7           HG1      THR   7   9.989   0.606  -3.968
   66   1HG2  THR   7          1HG2      THR   7   7.309   0.810  -1.333
   67   2HG2  THR   7          2HG2      THR   7   8.144  -0.724  -1.579
   68   3HG2  THR   7          3HG2      THR   7   6.560  -0.455  -2.305
   69    H    LEU   8           H        LEU   8   7.092   2.605  -4.481
   70    HA   LEU   8           HA       LEU   8   7.171   3.167  -7.267
   71   1HB   LEU   8          1HB       LEU   8   6.889   4.713  -4.766
   72   2HB   LEU   8          2HB       LEU   8   7.542   5.594  -6.134
   73    HG   LEU   8           HG       LEU   8   4.884   4.166  -6.033
   74   1HD1  LEU   8          1HD1      LEU   8   5.463   6.558  -4.953
   75   2HD1  LEU   8          2HD1      LEU   8   3.897   6.157  -5.656
   76   3HD1  LEU   8          3HD1      LEU   8   5.086   7.049  -6.605
   77   1HD2  LEU   8          1HD2      LEU   8   5.258   3.955  -8.246
   78   2HD2  LEU   8          2HD2      LEU   8   6.498   5.208  -8.266
   79   3HD2  LEU   8          3HD2      LEU   8   4.792   5.655  -8.269
   80    H    THR   9           H        THR   9   9.569   2.907  -4.819
   81    HA   THR   9           HA       THR   9  11.551   4.409  -6.333
   82    HB   THR   9           HB       THR   9  13.054   3.883  -4.439
   83    HG1  THR   9           HG1      THR   9  10.790   2.594  -3.322
   84   1HG2  THR   9          1HG2      THR   9  10.555   4.756  -3.098
   85   2HG2  THR   9          2HG2      THR   9  11.217   5.759  -4.388
   86   3HG2  THR   9          3HG2      THR   9  12.195   5.390  -2.967
   87    H    GLY  10           H        GLY  10  10.618   1.119  -5.665
   88   1HA   GLY  10          1HA       GLY  10  11.315  -0.395  -7.561
   89   2HA   GLY  10          2HA       GLY  10  12.943   0.171  -7.219
   90    H    LYS  11           H        LYS  11  12.431   0.184  -4.305
   91    HA   LYS  11           HA       LYS  11  13.562  -2.142  -3.512
   92   1HB   LYS  11          1HB       LYS  11  13.258  -0.404  -1.914
   93   2HB   LYS  11          2HB       LYS  11  11.508  -0.459  -2.084
   94   1HG   LYS  11          1HG       LYS  11  11.374  -1.898  -0.413
   95   2HG   LYS  11          2HG       LYS  11  12.408  -3.032  -1.285
   96   1HD   LYS  11          1HD       LYS  11  14.310  -2.347  -0.198
   97   2HD   LYS  11          2HD       LYS  11  13.678  -0.728   0.111
   98   1HE   LYS  11          1HE       LYS  11  12.172  -2.864   1.424
   99   2HE   LYS  11          2HE       LYS  11  13.850  -2.746   1.952
  100   1HZ   LYS  11          1HZ       LYS  11  11.761  -1.212   2.824
  101   2HZ   LYS  11          2HZ       LYS  11  12.604  -0.184   1.778
  102   3HZ   LYS  11          3HZ       LYS  11  13.404  -0.903   3.083
  103    H    THR  12           H        THR  12  12.986  -4.098  -4.254
  104    HA   THR  12           HA       THR  12  10.162  -4.896  -4.000
  105    HB   THR  12           HB       THR  12  12.126  -6.421  -5.666
  106    HG1  THR  12           HG1      THR  12  11.323  -4.987  -7.420
  107   1HG2  THR  12          1HG2      THR  12   9.171  -5.944  -5.756
  108   2HG2  THR  12          2HG2      THR  12  10.044  -7.471  -5.621
  109   3HG2  THR  12          3HG2      THR  12  10.062  -6.577  -7.141
  110    H    LEU  13           H        LEU  13   9.626  -6.781  -2.962
  111    HA   LEU  13           HA       LEU  13  11.786  -8.386  -1.805
  112   1HB   LEU  13          1HB       LEU  13  10.590  -8.408   0.378
  113   2HB   LEU  13          2HB       LEU  13  11.274  -6.850  -0.050
  114    HG   LEU  13           HG       LEU  13   8.594  -6.910  -1.006
  115   1HD1  LEU  13          1HD1      LEU  13   8.999  -8.117   1.684
  116   2HD1  LEU  13          2HD1      LEU  13   7.793  -8.483   0.450
  117   3HD1  LEU  13          3HD1      LEU  13   7.633  -7.028   1.435
  118   1HD2  LEU  13          1HD2      LEU  13  10.345  -5.293   0.640
  119   2HD2  LEU  13          2HD2      LEU  13   8.680  -5.272   1.220
  120   3HD2  LEU  13          3HD2      LEU  13   9.041  -4.804  -0.442
  121    H    THR  14           H        THR  14  10.937 -10.433  -0.825
  122    HA   THR  14           HA       THR  14   8.672 -11.416  -2.427
  123    HB   THR  14           HB       THR  14  10.851 -13.087  -1.174
  124    HG1  THR  14           HG1      THR  14  10.762 -11.726  -3.620
  125   1HG2  THR  14          1HG2      THR  14   9.259 -14.618  -1.722
  126   2HG2  THR  14          2HG2      THR  14  10.135 -14.519  -3.250
  127   3HG2  THR  14          3HG2      THR  14   8.617 -13.645  -3.045
  128    H    VAL  15           H        VAL  15   7.205 -12.910  -1.465
  129    HA   VAL  15           HA       VAL  15   7.260 -13.137   1.446
  130    HB   VAL  15           HB       VAL  15   4.681 -12.578   1.286
  131   1HG1  VAL  15          1HG1      VAL  15   6.822 -10.455   1.372
  132   2HG1  VAL  15          2HG1      VAL  15   6.294 -11.449   2.730
  133   3HG1  VAL  15          3HG1      VAL  15   5.181 -10.294   1.995
  134   1HG2  VAL  15          1HG2      VAL  15   4.087 -10.947  -0.309
  135   2HG2  VAL  15          2HG2      VAL  15   4.920 -12.209  -1.217
  136   3HG2  VAL  15          3HG2      VAL  15   5.762 -10.713  -0.811
  137    H    GLU  16           H        GLU  16   5.914 -14.798   2.279
  138    HA   GLU  16           HA       GLU  16   5.226 -16.827   0.270
  139   1HB   GLU  16          1HB       GLU  16   6.546 -16.929   2.819
  140   2HB   GLU  16          2HB       GLU  16   5.106 -17.935   2.867
  141   1HG   GLU  16          1HG       GLU  16   6.393 -18.469   0.421
  142   2HG   GLU  16          2HG       GLU  16   7.636 -18.468   1.672
  143    H    LEU  17           H        LEU  17   3.147 -16.474  -0.303
  144    HA   LEU  17           HA       LEU  17   1.145 -16.614   1.843
  145   1HB   LEU  17          1HB       LEU  17   0.990 -14.801  -0.566
  146   2HB   LEU  17          2HB       LEU  17  -0.256 -14.995   0.653
  147    HG   LEU  17           HG       LEU  17   2.507 -13.971   1.292
  148   1HD1  LEU  17          1HD1      LEU  17   1.583 -12.427  -0.283
  149   2HD1  LEU  17          2HD1      LEU  17   1.435 -11.724   1.328
  150   3HD1  LEU  17          3HD1      LEU  17   0.025 -12.437   0.543
  151   1HD2  LEU  17          1HD2      LEU  17  -0.119 -13.984   2.763
  152   2HD2  LEU  17          2HD2      LEU  17   1.281 -13.032   3.261
  153   3HD2  LEU  17          3HD2      LEU  17   1.380 -14.793   3.220
  154    H    GLU  18           H        GLU  18  -0.938 -17.426   1.163
  155    HA   GLU  18           HA       GLU  18  -0.700 -19.253  -1.133
  156   1HB   GLU  18          1HB       GLU  18  -2.715 -19.533   1.080
  157   2HB   GLU  18          2HB       GLU  18  -2.119 -20.766  -0.022
  158   1HG   GLU  18          1HG       GLU  18  -0.207 -19.467   1.849
  159   2HG   GLU  18          2HG       GLU  18  -1.329 -20.676   2.471
  160    HA   PRO  19           HA       PRO  19  -3.948 -17.333  -3.383
  161   1HB   PRO  19          1HB       PRO  19  -5.497 -19.500  -4.099
  162   2HB   PRO  19          2HB       PRO  19  -4.010 -19.015  -4.921
  163   1HG   PRO  19          1HG       PRO  19  -4.431 -21.132  -2.851
  164   2HG   PRO  19          2HG       PRO  19  -3.416 -21.170  -4.305
  165   1HD   PRO  19          1HD       PRO  19  -2.365 -20.775  -1.868
  166   2HD   PRO  19          2HD       PRO  19  -1.717 -19.954  -3.303
  167    H    SER  20           H        SER  20  -4.644 -19.259  -0.621
  168    HA   SER  20           HA       SER  20  -7.458 -18.621  -0.531
  169   1HB   SER  20          1HB       SER  20  -7.570 -19.981   1.368
  170   2HB   SER  20          2HB       SER  20  -6.261 -20.719   0.444
  171    HG   SER  20           HG       SER  20  -5.929 -20.254   2.793
  172    H    ASP  21           H        ASP  21  -4.500 -17.236   0.568
  173    HA   ASP  21           HA       ASP  21  -5.404 -15.731   2.752
  174   1HB   ASP  21          1HB       ASP  21  -3.150 -15.353   0.794
  175   2HB   ASP  21          2HB       ASP  21  -3.461 -14.176   2.067
  176    H    THR  22           H        THR  22  -5.357 -13.222   2.655
  177    HA   THR  22           HA       THR  22  -6.891 -12.299   0.320
  178    HB   THR  22           HB       THR  22  -8.370 -11.030   1.779
  179    HG1  THR  22           HG1      THR  22  -8.187 -11.123   3.977
  180   1HG2  THR  22          1HG2      THR  22  -9.434 -12.905   3.094
  181   2HG2  THR  22          2HG2      THR  22  -8.153 -13.941   2.466
  182   3HG2  THR  22          3HG2      THR  22  -9.275 -13.152   1.356
  183    H    VAL  23           H        VAL  23  -6.944  -9.906   0.131
  184    HA   VAL  23           HA       VAL  23  -4.444  -8.792  -0.039
  185    HB   VAL  23           HB       VAL  23  -6.894  -7.135   0.542
  186   1HG1  VAL  23          1HG1      VAL  23  -5.631  -5.404  -0.039
  187   2HG1  VAL  23          2HG1      VAL  23  -5.178  -6.187  -1.554
  188   3HG1  VAL  23          3HG1      VAL  23  -4.241  -6.487  -0.090
  189   1HG2  VAL  23          1HG2      VAL  23  -7.094  -7.182  -2.032
  190   2HG2  VAL  23          2HG2      VAL  23  -7.712  -8.552  -1.110
  191   3HG2  VAL  23          3HG2      VAL  23  -6.150  -8.668  -1.922
  192    H    GLU  24           H        GLU  24  -6.546  -8.974   2.736
  193    HA   GLU  24           HA       GLU  24  -5.304  -7.009   4.334
  194   1HB   GLU  24          1HB       GLU  24  -7.361  -8.983   4.637
  195   2HB   GLU  24          2HB       GLU  24  -6.273  -9.073   6.015
  196   1HG   GLU  24          1HG       GLU  24  -6.583  -6.447   5.962
  197   2HG   GLU  24          2HG       GLU  24  -8.091  -6.892   5.166
  198    H    ASN  25           H        ASN  25  -4.839 -10.529   4.143
  199    HA   ASN  25           HA       ASN  25  -2.854 -10.753   6.091
  200   1HB   ASN  25          1HB       ASN  25  -3.237 -12.403   3.583
  201   2HB   ASN  25          2HB       ASN  25  -2.237 -12.865   4.957
  202   1HD2  ASN  25          1HD2      ASN  25  -3.190 -13.600   6.815
  203   2HD2  ASN  25          2HD2      ASN  25  -4.872 -13.981   6.924
  204    H    LEU  26           H        LEU  26  -2.541 -10.310   2.575
  205    HA   LEU  26           HA       LEU  26   0.258 -10.249   2.478
  206   1HB   LEU  26          1HB       LEU  26  -0.801 -10.492   0.417
  207   2HB   LEU  26          2HB       LEU  26  -1.906  -9.165   0.718
  208    HG   LEU  26           HG       LEU  26  -0.205  -7.540   0.296
  209   1HD1  LEU  26          1HD1      LEU  26   2.033  -8.934  -0.576
  210   2HD1  LEU  26          2HD1      LEU  26   1.563  -9.734   0.925
  211   3HD1  LEU  26          3HD1      LEU  26   1.879  -7.998   0.910
  212   1HD2  LEU  26          1HD2      LEU  26   0.320  -9.565  -1.839
  213   2HD2  LEU  26          2HD2      LEU  26   0.057  -7.827  -1.982
  214   3HD2  LEU  26          3HD2      LEU  26  -1.299  -8.897  -1.628
  215    H    LYS  27           H        LYS  27  -2.056  -7.539   2.589
  216    HA   LYS  27           HA       LYS  27  -0.286  -5.434   2.656
  217   1HB   LYS  27          1HB       LYS  27  -2.996  -5.846   3.870
  218   2HB   LYS  27          2HB       LYS  27  -2.109  -4.365   4.201
  219   1HG   LYS  27          1HG       LYS  27  -1.876  -4.373   1.555
  220   2HG   LYS  27          2HG       LYS  27  -3.366  -5.308   1.693
  221   1HD   LYS  27          1HD       LYS  27  -4.132  -3.419   3.279
  222   2HD   LYS  27          2HD       LYS  27  -2.818  -2.491   2.553
  223   1HE   LYS  27          1HE       LYS  27  -4.005  -3.483   0.339
  224   2HE   LYS  27          2HE       LYS  27  -5.398  -3.348   1.412
  225   1HZ   LYS  27          1HZ       LYS  27  -3.517  -1.156   0.716
  226   2HZ   LYS  27          2HZ       LYS  27  -4.824  -1.019   1.781
  227   3HZ   LYS  27          3HZ       LYS  27  -5.100  -1.331   0.142
  228    H    ALA  28           H        ALA  28  -1.508  -7.320   5.410
  229    HA   ALA  28           HA       ALA  28  -0.245  -5.970   7.469
  230   1HB   ALA  28          1HB       ALA  28  -1.478  -8.565   7.103
  231   2HB   ALA  28          2HB       ALA  28  -1.450  -7.520   8.524
  232   3HB   ALA  28          3HB       ALA  28  -0.120  -8.638   8.224
  233    H    LYS  29           H        LYS  29   0.992  -8.654   5.493
  234    HA   LYS  29           HA       LYS  29   3.455  -8.983   6.746
  235   1HB   LYS  29          1HB       LYS  29   2.842  -9.288   3.799
  236   2HB   LYS  29          2HB       LYS  29   4.216  -9.989   4.644
  237   1HG   LYS  29          1HG       LYS  29   1.760 -10.731   5.939
  238   2HG   LYS  29          2HG       LYS  29   1.709 -11.139   4.223
  239   1HD   LYS  29          1HD       LYS  29   3.369 -12.680   4.401
  240   2HD   LYS  29          2HD       LYS  29   4.200 -11.796   5.682
  241   1HE   LYS  29          1HE       LYS  29   1.589 -12.782   6.503
  242   2HE   LYS  29          2HE       LYS  29   2.677 -14.075   5.996
  243   1HZ   LYS  29          1HZ       LYS  29   4.102 -13.674   7.703
  244   2HZ   LYS  29          2HZ       LYS  29   2.667 -13.171   8.446
  245   3HZ   LYS  29          3HZ       LYS  29   3.730 -12.025   7.800
  246    H    ILE  30           H        ILE  30   2.410  -6.663   4.327
  247    HA   ILE  30           HA       ILE  30   5.027  -5.589   3.856
  248    HB   ILE  30           HB       ILE  30   2.405  -4.222   3.273
  249   1HG1  ILE  30          1HG1      ILE  30   3.896  -6.141   1.471
  250   2HG1  ILE  30          2HG1      ILE  30   2.462  -6.573   2.397
  251   1HG2  ILE  30          1HG2      ILE  30   4.353  -3.828   1.266
  252   2HG2  ILE  30          2HG2      ILE  30   5.141  -3.569   2.821
  253   3HG2  ILE  30          3HG2      ILE  30   3.699  -2.647   2.400
  254   1HD1  ILE  30          1HD1      ILE  30   2.198  -5.937  -0.073
  255   2HD1  ILE  30          2HD1      ILE  30   2.411  -4.277   0.485
  256   3HD1  ILE  30          3HD1      ILE  30   1.074  -5.249   1.100
  257    H    GLN  31           H        GLN  31   2.585  -5.139   6.220
  258    HA   GLN  31           HA       GLN  31   3.541  -2.513   7.025
  259   1HB   GLN  31          1HB       GLN  31   1.116  -3.104   7.083
  260   2HB   GLN  31          2HB       GLN  31   1.471  -4.274   8.347
  261   1HG   GLN  31          1HG       GLN  31   2.298  -2.454   9.774
  262   2HG   GLN  31          2HG       GLN  31   1.870  -1.297   8.514
  263   1HE2  GLN  31          1HE2      GLN  31   0.544  -0.321  10.166
  264   2HE2  GLN  31          2HE2      GLN  31  -1.033  -0.954  10.478
  265    H    ASP  32           H        ASP  32   4.046  -5.824   7.798
  266    HA   ASP  32           HA       ASP  32   5.203  -5.246  10.400
  267   1HB   ASP  32          1HB       ASP  32   4.017  -7.509   9.204
  268   2HB   ASP  32          2HB       ASP  32   5.689  -7.926   9.556
  269    H    LYS  33           H        LYS  33   6.199  -5.852   7.132
  270    HA   LYS  33           HA       LYS  33   9.000  -6.105   7.962
  271   1HB   LYS  33          1HB       LYS  33   7.539  -6.707   5.406
  272   2HB   LYS  33          2HB       LYS  33   9.290  -6.549   5.430
  273   1HG   LYS  33          1HG       LYS  33   8.813  -8.267   7.514
  274   2HG   LYS  33          2HG       LYS  33   7.595  -8.737   6.326
  275   1HD   LYS  33          1HD       LYS  33  10.137  -8.275   5.051
  276   2HD   LYS  33          2HD       LYS  33  10.300  -9.450   6.359
  277   1HE   LYS  33          1HE       LYS  33   8.748 -10.910   5.395
  278   2HE   LYS  33          2HE       LYS  33   8.098  -9.661   4.334
  279   1HZ   LYS  33          1HZ       LYS  33   9.792 -11.492   3.495
  280   2HZ   LYS  33          2HZ       LYS  33  10.915 -10.335   4.006
  281   3HZ   LYS  33          3HZ       LYS  33   9.755  -9.932   2.842
  282    H    GLU  34           H        GLU  34   7.023  -4.281   5.620
  283    HA   GLU  34           HA       GLU  34   9.169  -2.346   5.287
  284   1HB   GLU  34          1HB       GLU  34   6.445  -2.556   3.996
  285   2HB   GLU  34          2HB       GLU  34   7.637  -1.325   3.607
  286   1HG   GLU  34          1HG       GLU  34   7.573  -4.200   2.910
  287   2HG   GLU  34          2HG       GLU  34   8.078  -2.809   1.951
  288    H    GLY  35           H        GLY  35   6.628  -2.786   7.397
  289   1HA   GLY  35          1HA       GLY  35   5.699  -1.430   9.000
  290   2HA   GLY  35          2HA       GLY  35   6.976  -0.279   8.640
  291    H    ILE  36           H        ILE  36   4.814  -1.331   6.131
  292    HA   ILE  36           HA       ILE  36   3.749   1.393   5.976
  293    HB   ILE  36           HB       ILE  36   3.234  -0.725   3.918
  294   1HG1  ILE  36          1HG1      ILE  36   5.601  -0.876   4.162
  295   2HG1  ILE  36          2HG1      ILE  36   5.309   0.139   2.752
  296   1HG2  ILE  36          1HG2      ILE  36   3.547   2.271   3.785
  297   2HG2  ILE  36          2HG2      ILE  36   2.029   1.373   3.727
  298   3HG2  ILE  36          3HG2      ILE  36   3.198   1.216   2.416
  299   1HD1  ILE  36          1HD1      ILE  36   6.004   1.130   5.504
  300   2HD1  ILE  36          2HD1      ILE  36   5.743   2.127   4.074
  301   3HD1  ILE  36          3HD1      ILE  36   7.108   1.011   4.135
  302    HA   PRO  37           HA       PRO  37  -0.132  -0.104   7.547
  303   1HB   PRO  37          1HB       PRO  37  -1.492   2.202   7.423
  304   2HB   PRO  37          2HB       PRO  37  -0.188   1.961   8.591
  305   1HG   PRO  37          1HG       PRO  37  -0.156   3.427   5.984
  306   2HG   PRO  37          2HG       PRO  37   0.592   3.873   7.528
  307   1HD   PRO  37          1HD       PRO  37   1.934   2.704   5.425
  308   2HD   PRO  37          2HD       PRO  37   2.453   2.612   7.120
  309    HA   PRO  38           HA       PRO  38  -2.391  -1.250   3.912
  310   1HB   PRO  38          1HB       PRO  38  -4.841  -1.631   5.138
  311   2HB   PRO  38          2HB       PRO  38  -3.543  -2.826   5.087
  312   1HG   PRO  38          1HG       PRO  38  -4.291  -0.928   7.270
  313   2HG   PRO  38          2HG       PRO  38  -3.761  -2.616   7.383
  314   1HD   PRO  38          1HD       PRO  38  -2.097  -0.582   7.922
  315   2HD   PRO  38          2HD       PRO  38  -1.525  -2.062   7.122
  316    H    ASP  39           H        ASP  39  -3.351   1.354   6.009
  317    HA   ASP  39           HA       ASP  39  -5.498   2.337   4.429
  318   1HB   ASP  39          1HB       ASP  39  -5.250   2.934   6.794
  319   2HB   ASP  39          2HB       ASP  39  -3.749   3.781   6.433
  320    H    GLN  40           H        GLN  40  -2.030   2.933   4.483
  321    HA   GLN  40           HA       GLN  40  -2.327   4.861   2.289
  322   1HB   GLN  40          1HB       GLN  40   0.201   4.225   3.805
  323   2HB   GLN  40          2HB       GLN  40  -0.120   5.620   2.784
  324   1HG   GLN  40          1HG       GLN  40  -2.081   5.888   4.619
  325   2HG   GLN  40          2HG       GLN  40  -0.824   5.123   5.589
  326   1HE2  GLN  40          1HE2      GLN  40  -0.858   7.162   6.750
  327   2HE2  GLN  40          2HE2      GLN  40   0.076   8.487   6.152
  328    H    GLN  41           H        GLN  41  -2.042   1.652   2.574
  329    HA   GLN  41           HA       GLN  41   0.023   1.264   0.557
  330   1HB   GLN  41          1HB       GLN  41  -1.377  -0.434   2.514
  331   2HB   GLN  41          2HB       GLN  41  -1.037  -1.211   0.973
  332   1HG   GLN  41          1HG       GLN  41   1.354  -0.410   1.273
  333   2HG   GLN  41          2HG       GLN  41   0.904  -0.039   2.937
  334   1HE2  GLN  41          1HE2      GLN  41   0.578  -1.683   4.381
  335   2HE2  GLN  41          2HE2      GLN  41   0.961  -3.333   4.040
  336    H    ARG  42           H        ARG  42  -0.355   0.933  -1.539
  337    HA   ARG  42           HA       ARG  42  -3.100   0.309  -2.397
  338   1HB   ARG  42          1HB       ARG  42  -1.958   2.765  -2.746
  339   2HB   ARG  42          2HB       ARG  42  -1.515   1.964  -4.247
  340   1HG   ARG  42          1HG       ARG  42  -4.148   1.314  -4.046
  341   2HG   ARG  42          2HG       ARG  42  -4.118   2.921  -3.318
  342   1HD   ARG  42          1HD       ARG  42  -3.116   3.862  -5.279
  343   2HD   ARG  42          2HD       ARG  42  -2.890   2.264  -5.989
  344    HE   ARG  42           HE       ARG  42  -5.616   2.621  -5.488
  345   1HH1  ARG  42          1HH1      ARG  42  -4.193   4.340  -8.812
  346   2HH1  ARG  42          2HH1      ARG  42  -3.109   3.918  -7.528
  347   1HH2  ARG  42          1HH2      ARG  42  -7.052   3.172  -7.174
  348   2HH2  ARG  42          2HH2      ARG  42  -6.434   3.916  -8.611
  349    H    LEU  43           H        LEU  43  -2.836  -1.775  -2.997
  350    HA   LEU  43           HA       LEU  43  -0.496  -2.571  -4.529
  351   1HB   LEU  43          1HB       LEU  43  -2.838  -4.300  -3.766
  352   2HB   LEU  43          2HB       LEU  43  -1.223  -4.815  -4.213
  353    HG   LEU  43           HG       LEU  43  -1.786  -3.215  -1.724
  354   1HD1  LEU  43          1HD1      LEU  43  -1.795  -5.255  -0.471
  355   2HD1  LEU  43          2HD1      LEU  43  -1.494  -6.206  -1.926
  356   3HD1  LEU  43          3HD1      LEU  43  -3.033  -5.365  -1.723
  357   1HD2  LEU  43          1HD2      LEU  43   0.420  -4.693  -1.247
  358   2HD2  LEU  43          2HD2      LEU  43   0.455  -3.053  -1.897
  359   3HD2  LEU  43          3HD2      LEU  43   0.578  -4.436  -2.985
  360    H    ILE  44           H        ILE  44  -0.457  -2.462  -6.661
  361    HA   ILE  44           HA       ILE  44  -3.003  -2.472  -8.134
  362    HB   ILE  44           HB       ILE  44  -0.306  -1.526  -9.109
  363   1HG1  ILE  44          1HG1      ILE  44  -1.123  -0.122  -7.265
  364   2HG1  ILE  44          2HG1      ILE  44  -1.177   0.747  -8.796
  365   1HG2  ILE  44          1HG2      ILE  44  -2.615  -2.205 -10.511
  366   2HG2  ILE  44          2HG2      ILE  44  -1.230  -1.295 -11.115
  367   3HG2  ILE  44          3HG2      ILE  44  -2.621  -0.443 -10.443
  368   1HD1  ILE  44          1HD1      ILE  44  -3.675  -0.532  -8.447
  369   2HD1  ILE  44          2HD1      ILE  44  -3.309   1.194  -8.454
  370   3HD1  ILE  44          3HD1      ILE  44  -3.265   0.289  -6.940
  371    H    PHE  45           H        PHE  45  -3.508  -4.241  -9.236
  372    HA   PHE  45           HA       PHE  45  -1.336  -5.925 -10.286
  373   1HB   PHE  45          1HB       PHE  45  -2.532  -6.818  -8.180
  374   2HB   PHE  45          2HB       PHE  45  -3.905  -7.098  -9.247
  375    HD1  PHE  45           HD1      PHE  45  -4.113  -9.345  -9.666
  376    HD2  PHE  45           HD2      PHE  45  -0.226  -7.589  -9.668
  377    HE1  PHE  45           HE1      PHE  45  -3.141 -11.505 -10.353
  378    HE2  PHE  45           HE2      PHE  45   0.752  -9.744 -10.355
  379    HZ   PHE  45           HZ       PHE  45  -0.707 -11.705 -10.699
  380    H    ALA  46           H        ALA  46  -1.451  -5.721 -12.424
  381    HA   ALA  46           HA       ALA  46  -2.266  -5.578 -14.548
  382   1HB   ALA  46          1HB       ALA  46  -3.041  -7.915 -13.607
  383   2HB   ALA  46          2HB       ALA  46  -3.566  -7.345 -15.191
  384   3HB   ALA  46          3HB       ALA  46  -4.642  -7.203 -13.801
  385    H    GLY  47           H        GLY  47  -2.792  -3.280 -13.544
  386   1HA   GLY  47          1HA       GLY  47  -4.179  -1.450 -13.580
  387   2HA   GLY  47          2HA       GLY  47  -5.051  -2.307 -14.841
  388    H    LYS  48           H        LYS  48  -4.845  -3.886 -11.802
  389    HA   LYS  48           HA       LYS  48  -7.555  -2.964 -11.108
  390   1HB   LYS  48          1HB       LYS  48  -6.475  -5.768 -11.231
  391   2HB   LYS  48          2HB       LYS  48  -7.843  -5.367 -10.201
  392   1HG   LYS  48          1HG       LYS  48  -8.863  -4.360 -12.352
  393   2HG   LYS  48          2HG       LYS  48  -7.655  -5.342 -13.182
  394   1HD   LYS  48          1HD       LYS  48  -8.533  -7.301 -11.818
  395   2HD   LYS  48          2HD       LYS  48  -9.888  -6.257 -11.388
  396   1HE   LYS  48          1HE       LYS  48 -10.887  -6.831 -13.285
  397   2HE   LYS  48          2HE       LYS  48  -9.578  -6.057 -14.176
  398   1HZ   LYS  48          1HZ       LYS  48  -9.686  -8.893 -13.305
  399   2HZ   LYS  48          2HZ       LYS  48  -8.349  -8.170 -14.048
  400   3HZ   LYS  48          3HZ       LYS  48  -9.807  -8.319 -14.893
  401    H    GLN  49           H        GLN  49  -7.798  -2.281  -9.078
  402    HA   GLN  49           HA       GLN  49  -5.532  -2.435  -7.273
  403   1HB   GLN  49          1HB       GLN  49  -7.366  -0.477  -7.777
  404   2HB   GLN  49          2HB       GLN  49  -8.014  -1.185  -6.303
  405   1HG   GLN  49          1HG       GLN  49  -5.127  -0.438  -6.474
  406   2HG   GLN  49          2HG       GLN  49  -6.352   0.787  -6.152
  407   1HE2  GLN  49          1HE2      GLN  49  -4.142  -0.845  -4.627
  408   2HE2  GLN  49          2HE2      GLN  49  -4.914  -1.177  -3.118
  409    H    LEU  50           H        LEU  50  -5.336  -3.835  -5.654
  410    HA   LEU  50           HA       LEU  50  -7.238  -5.888  -5.225
  411   1HB   LEU  50          1HB       LEU  50  -4.971  -5.110  -3.397
  412   2HB   LEU  50          2HB       LEU  50  -5.765  -6.670  -3.492
  413    HG   LEU  50           HG       LEU  50  -3.846  -5.434  -5.445
  414   1HD1  LEU  50          1HD1      LEU  50  -3.051  -6.799  -3.496
  415   2HD1  LEU  50          2HD1      LEU  50  -2.570  -7.403  -5.082
  416   3HD1  LEU  50          3HD1      LEU  50  -3.893  -8.176  -4.208
  417   1HD2  LEU  50          1HD2      LEU  50  -5.770  -7.703  -5.908
  418   2HD2  LEU  50          2HD2      LEU  50  -4.322  -7.437  -6.881
  419   3HD2  LEU  50          3HD2      LEU  50  -5.598  -6.219  -6.846
  420    H    GLU  51           H        GLU  51  -8.907  -6.030  -3.864
  421    HA   GLU  51           HA       GLU  51  -9.450  -3.749  -2.117
  422   1HB   GLU  51          1HB       GLU  51 -11.289  -6.043  -2.808
  423   2HB   GLU  51          2HB       GLU  51 -11.732  -4.511  -2.068
  424   1HG   GLU  51          1HG       GLU  51 -10.509  -4.645  -4.801
  425   2HG   GLU  51          2HG       GLU  51 -12.243  -4.834  -4.544
  426    H    ASP  52           H        ASP  52  -9.412  -3.866   0.046
  427    HA   ASP  52           HA       ASP  52  -8.209  -6.049   1.355
  428   1HB   ASP  52          1HB       ASP  52  -8.905  -3.408   2.007
  429   2HB   ASP  52          2HB       ASP  52  -9.759  -4.419   3.170
  430    H    GLY  53           H        GLY  53  -9.333  -7.951   1.005
  431   1HA   GLY  53          1HA       GLY  53 -11.009  -9.024   2.744
  432   2HA   GLY  53          2HA       GLY  53 -12.145  -8.079   1.791
  433    H    ARG  54           H        ARG  54 -10.152  -8.693  -0.534
  434    HA   ARG  54           HA       ARG  54 -11.551 -11.116  -1.351
  435   1HB   ARG  54          1HB       ARG  54  -9.611  -9.626  -3.085
  436   2HB   ARG  54          2HB       ARG  54 -11.030 -10.553  -3.553
  437   1HG   ARG  54          1HG       ARG  54 -11.569  -8.198  -1.879
  438   2HG   ARG  54          2HG       ARG  54 -10.923  -7.858  -3.485
  439   1HD   ARG  54          1HD       ARG  54 -13.256  -9.700  -3.024
  440   2HD   ARG  54          2HD       ARG  54 -13.447  -7.965  -3.276
  441    HE   ARG  54           HE       ARG  54 -11.873  -9.096  -5.337
  442   1HH1  ARG  54          1HH1      ARG  54 -15.853  -9.107  -5.766
  443   2HH1  ARG  54          2HH1      ARG  54 -15.156  -8.893  -4.195
  444   1HH2  ARG  54          1HH2      ARG  54 -12.780  -9.377  -7.412
  445   2HH2  ARG  54          2HH2      ARG  54 -14.502  -9.383  -7.594
  446    H    THR  55           H        THR  55 -10.374 -12.870  -2.401
  447    HA   THR  55           HA       THR  55  -7.879 -13.425  -0.983
  448    HB   THR  55           HB       THR  55  -8.247 -15.762  -1.791
  449    HG1  THR  55           HG1      THR  55  -9.493 -15.303  -3.622
  450   1HG2  THR  55          1HG2      THR  55 -10.144 -14.337  -0.041
  451   2HG2  THR  55          2HG2      THR  55  -9.112 -15.730   0.288
  452   3HG2  THR  55          3HG2      THR  55 -10.624 -15.940  -0.597
  453    H    LEU  56           H        LEU  56  -5.965 -13.922  -1.990
  454    HA   LEU  56           HA       LEU  56  -5.232 -12.643  -4.291
  455   1HB   LEU  56          1HB       LEU  56  -4.101 -15.196  -3.149
  456   2HB   LEU  56          2HB       LEU  56  -3.322 -14.254  -4.405
  457    HG   LEU  56           HG       LEU  56  -3.665 -13.610  -1.506
  458   1HD1  LEU  56          1HD1      LEU  56  -1.280 -12.947  -3.145
  459   2HD1  LEU  56          2HD1      LEU  56  -1.598 -14.644  -2.784
  460   3HD1  LEU  56          3HD1      LEU  56  -1.390 -13.486  -1.470
  461   1HD2  LEU  56          1HD2      LEU  56  -2.720 -11.289  -2.326
  462   2HD2  LEU  56          2HD2      LEU  56  -4.454 -11.586  -2.215
  463   3HD2  LEU  56          3HD2      LEU  56  -3.639 -11.690  -3.776
  464    H    SER  57           H        SER  57  -6.555 -15.897  -3.983
  465    HA   SER  57           HA       SER  57  -6.138 -16.756  -6.617
  466   1HB   SER  57          1HB       SER  57  -7.050 -18.622  -5.782
  467   2HB   SER  57          2HB       SER  57  -7.439 -17.745  -4.303
  468    HG   SER  57           HG       SER  57  -9.442 -17.946  -4.859
  469    H    ASP  58           H        ASP  58  -8.606 -14.723  -5.200
  470    HA   ASP  58           HA       ASP  58 -10.498 -14.802  -7.265
  471   1HB   ASP  58          1HB       ASP  58  -9.816 -12.663  -5.247
  472   2HB   ASP  58          2HB       ASP  58 -11.160 -12.512  -6.377
  473    H    TYR  59           H        TYR  59  -7.400 -13.331  -7.094
  474    HA   TYR  59           HA       TYR  59  -7.965 -11.673  -9.451
  475   1HB   TYR  59          1HB       TYR  59  -5.735 -11.607  -7.419
  476   2HB   TYR  59          2HB       TYR  59  -5.678 -10.687  -8.919
  477    HD1  TYR  59           HD1      TYR  59  -7.636  -9.057  -9.364
  478    HD2  TYR  59           HD2      TYR  59  -6.764 -10.705  -5.530
  479    HE1  TYR  59           HE1      TYR  59  -8.906  -7.234  -8.298
  480    HE2  TYR  59           HE2      TYR  59  -8.032  -8.887  -4.454
  481    HH   TYR  59           HH       TYR  59 -10.018  -6.714  -6.253
  482    H    ASN  60           H        ASN  60  -7.547 -14.629  -9.400
  483    HA   ASN  60           HA       ASN  60  -6.335 -16.261 -10.456
  484   1HB   ASN  60          1HB       ASN  60  -5.664 -15.543 -12.829
  485   2HB   ASN  60          2HB       ASN  60  -7.369 -15.434 -12.403
  486   1HD2  ASN  60          1HD2      ASN  60  -4.520 -13.712 -13.257
  487   2HD2  ASN  60          2HD2      ASN  60  -5.239 -12.145 -13.375
  488    H    LEU  61           H        LEU  61  -4.782 -14.877  -8.570
  489    HA   LEU  61           HA       LEU  61  -2.276 -14.073  -9.655
  490   1HB   LEU  61          1HB       LEU  61  -3.361 -14.615  -6.943
  491   2HB   LEU  61          2HB       LEU  61  -1.619 -14.643  -7.133
  492    HG   LEU  61           HG       LEU  61  -3.279 -12.301  -8.039
  493   1HD1  LEU  61          1HD1      LEU  61  -2.658 -11.222  -5.906
  494   2HD1  LEU  61          2HD1      LEU  61  -2.042 -12.772  -5.331
  495   3HD1  LEU  61          3HD1      LEU  61  -3.758 -12.584  -5.695
  496   1HD2  LEU  61          1HD2      LEU  61  -0.396 -12.428  -7.195
  497   2HD2  LEU  61          2HD2      LEU  61  -1.230 -11.112  -8.020
  498   3HD2  LEU  61          3HD2      LEU  61  -0.927 -12.631  -8.865
  499    H    GLN  62           H        GLN  62  -0.232 -15.163  -9.366
  500    HA   GLN  62           HA       GLN  62  -0.353 -18.052  -8.970
  501   1HB   GLN  62          1HB       GLN  62   1.041 -16.934 -11.392
  502   2HB   GLN  62          2HB       GLN  62   0.650 -18.611 -11.036
  503   1HG   GLN  62          1HG       GLN  62  -1.638 -18.278 -11.484
  504   2HG   GLN  62          2HG       GLN  62  -1.460 -16.525 -11.480
  505   1HE2  GLN  62          1HE2      GLN  62   0.616 -18.904 -13.036
  506   2HE2  GLN  62          2HE2      GLN  62   0.320 -18.375 -14.654
  507    H    LYS  63           H        LYS  63   1.625 -19.001  -8.404
  508    HA   LYS  63           HA       LYS  63   3.293 -17.675  -6.727
  509   1HB   LYS  63          1HB       LYS  63   4.997 -19.453  -7.224
  510   2HB   LYS  63          2HB       LYS  63   3.392 -20.056  -6.838
  511   1HG   LYS  63          1HG       LYS  63   3.584 -19.679  -9.658
  512   2HG   LYS  63          2HG       LYS  63   4.971 -20.617  -9.101
  513   1HD   LYS  63          1HD       LYS  63   3.583 -22.374  -9.239
  514   2HD   LYS  63          2HD       LYS  63   2.928 -21.773  -7.713
  515   1HE   LYS  63          1HE       LYS  63   1.036 -20.968  -8.685
  516   2HE   LYS  63          2HE       LYS  63   1.847 -20.593 -10.204
  517   1HZ   LYS  63          1HZ       LYS  63   0.857 -22.408 -10.983
  518   2HZ   LYS  63          2HZ       LYS  63   0.415 -22.949  -9.443
  519   3HZ   LYS  63          3HZ       LYS  63   1.949 -23.310 -10.055
  520    H    GLU  64           H        GLU  64   5.005 -16.337  -6.842
  521    HA   GLU  64           HA       GLU  64   6.658 -15.017  -7.689
  522   1HB   GLU  64          1HB       GLU  64   6.512 -16.463 -10.314
  523   2HB   GLU  64          2HB       GLU  64   7.904 -15.719  -9.541
  524   1HG   GLU  64          1HG       GLU  64   7.139 -17.664  -7.747
  525   2HG   GLU  64          2HG       GLU  64   6.868 -18.417  -9.317
  526    H    SER  65           H        SER  65   5.067 -13.324  -7.621
  527    HA   SER  65           HA       SER  65   4.256 -12.435 -10.310
  528   1HB   SER  65          1HB       SER  65   2.704 -11.719  -7.832
  529   2HB   SER  65          2HB       SER  65   2.184 -11.656  -9.516
  530    HG   SER  65           HG       SER  65   1.878 -13.636  -7.784
  531    H    THR  66           H        THR  66   3.958 -10.060 -10.473
  532    HA   THR  66           HA       THR  66   5.833  -8.633  -8.703
  533    HB   THR  66           HB       THR  66   5.333  -7.937 -11.595
  534    HG1  THR  66           HG1      THR  66   7.067  -9.817 -10.465
  535   1HG2  THR  66          1HG2      THR  66   7.088  -6.910  -9.488
  536   2HG2  THR  66          2HG2      THR  66   6.478  -6.131 -10.948
  537   3HG2  THR  66          3HG2      THR  66   7.874  -7.204 -11.038
  538    H    ILE  67           H        ILE  67   4.307  -7.766  -7.335
  539    HA   ILE  67           HA       ILE  67   2.155  -6.162  -8.512
  540    HB   ILE  67           HB       ILE  67   2.604  -6.942  -5.628
  541   1HG1  ILE  67          1HG1      ILE  67   0.227  -8.044  -6.762
  542   2HG1  ILE  67          2HG1      ILE  67   1.573  -8.428  -7.831
  543   1HG2  ILE  67          1HG2      ILE  67   1.023  -5.487  -5.080
  544   2HG2  ILE  67          2HG2      ILE  67  -0.085  -6.202  -6.251
  545   3HG2  ILE  67          3HG2      ILE  67   1.008  -4.909  -6.746
  546   1HD1  ILE  67          1HD1      ILE  67   1.203 -10.183  -6.194
  547   2HD1  ILE  67          2HD1      ILE  67   1.445  -9.025  -4.886
  548   3HD1  ILE  67          3HD1      ILE  67   2.778  -9.425  -5.969
  549    H    HIS  68           H        HIS  68   2.052  -3.987  -8.332
  550    HA   HIS  68           HA       HIS  68   4.398  -2.640  -7.222
  551   1HB   HIS  68          1HB       HIS  68   2.197  -1.647  -9.043
  552   2HB   HIS  68          2HB       HIS  68   3.532  -0.655  -8.465
  553    HD1  HIS  68           HD1      HIS  68   4.889  -0.283 -10.518
  554    HD2  HIS  68           HD2      HIS  68   3.828  -4.273 -10.037
  555    HE1  HIS  68           HE1      HIS  68   6.115  -1.528 -12.327
  556    HE2  HIS  68           HE2      HIS  68   5.525  -3.950 -11.962
  557    H    LEU  69           H        LEU  69   4.318  -1.231  -5.548
  558    HA   LEU  69           HA       LEU  69   1.726  -0.963  -4.182
  559   1HB   LEU  69          1HB       LEU  69   3.818  -2.083  -3.100
  560   2HB   LEU  69          2HB       LEU  69   4.365  -0.433  -2.871
  561    HG   LEU  69           HG       LEU  69   1.621  -1.053  -1.937
  562   1HD1  LEU  69          1HD1      LEU  69   2.419  -2.966  -0.977
  563   2HD1  LEU  69          2HD1      LEU  69   2.846  -1.795   0.272
  564   3HD1  LEU  69          3HD1      LEU  69   4.071  -2.356  -0.867
  565   1HD2  LEU  69          1HD2      LEU  69   3.161   1.114  -1.761
  566   2HD2  LEU  69          2HD2      LEU  69   3.676   0.293  -0.288
  567   3HD2  LEU  69          3HD2      LEU  69   1.974   0.687  -0.528
  568    H    VAL  70           H        VAL  70   0.793   0.948  -4.152
  569    HA   VAL  70           HA       VAL  70   2.462   3.339  -4.576
  570    HB   VAL  70           HB       VAL  70  -0.381   3.671  -5.174
  571   1HG1  VAL  70          1HG1      VAL  70   0.484   4.858  -7.088
  572   2HG1  VAL  70          2HG1      VAL  70   2.093   4.189  -6.818
  573   3HG1  VAL  70          3HG1      VAL  70   1.399   5.316  -5.652
  574   1HG2  VAL  70          1HG2      VAL  70  -0.217   1.394  -5.970
  575   2HG2  VAL  70          2HG2      VAL  70   1.251   1.782  -6.867
  576   3HG2  VAL  70          3HG2      VAL  70  -0.289   2.496  -7.345
  577    H    LEU  71           H        LEU  71   1.987   5.184  -3.390
  578    HA   LEU  71           HA       LEU  71   1.038   4.753  -0.759
  579   1HB   LEU  71          1HB       LEU  71   1.832   7.199  -2.307
  580   2HB   LEU  71          2HB       LEU  71   1.170   7.333  -0.690
  581    HG   LEU  71           HG       LEU  71   3.693   7.362  -0.868
  582   1HD1  LEU  71          1HD1      LEU  71   1.989   6.221   1.034
  583   2HD1  LEU  71          2HD1      LEU  71   3.640   6.792   1.274
  584   3HD1  LEU  71          3HD1      LEU  71   3.341   5.101   0.868
  585   1HD2  LEU  71          1HD2      LEU  71   3.803   5.561  -2.586
  586   2HD2  LEU  71          2HD2      LEU  71   3.345   4.407  -1.334
  587   3HD2  LEU  71          3HD2      LEU  71   4.860   5.301  -1.199
  588    H    ARG  72           H        ARG  72  -0.733   5.849   0.301
  589    HA   ARG  72           HA       ARG  72  -3.004   6.340  -1.513
  590   1HB   ARG  72          1HB       ARG  72  -2.765   4.393   0.479
  591   2HB   ARG  72          2HB       ARG  72  -3.785   5.636   1.189
  592   1HG   ARG  72          1HG       ARG  72  -4.707   5.215  -1.444
  593   2HG   ARG  72          2HG       ARG  72  -4.464   3.629  -0.708
  594   1HD   ARG  72          1HD       ARG  72  -6.498   3.947   0.175
  595   2HD   ARG  72          2HD       ARG  72  -5.667   5.002   1.316
  596    HE   ARG  72           HE       ARG  72  -6.386   6.443  -1.007
  597   1HH1  ARG  72          1HH1      ARG  72  -9.084   6.131   1.935
  598   2HH1  ARG  72          2HH1      ARG  72  -7.756   5.022   1.863
  599   1HH2  ARG  72          1HH2      ARG  72  -8.131   7.910  -0.921
  600   2HH2  ARG  72          2HH2      ARG  72  -9.298   7.773   0.351
  601    H    LEU  73           H        LEU  73  -1.884   8.561  -1.326
  602    HA   LEU  73           HA       LEU  73  -3.150  10.016   0.899
  603   1HB   LEU  73          1HB       LEU  73  -0.390   9.816   0.326
  604   2HB   LEU  73          2HB       LEU  73  -0.877  11.440  -0.119
  605    HG   LEU  73           HG       LEU  73  -1.292  10.167   2.589
  606   1HD1  LEU  73          1HD1      LEU  73   1.075  10.784   1.887
  607   2HD1  LEU  73          2HD1      LEU  73   0.473  11.493   3.385
  608   3HD1  LEU  73          3HD1      LEU  73   0.526  12.458   1.910
  609   1HD2  LEU  73          1HD2      LEU  73  -1.681  12.751   3.037
  610   2HD2  LEU  73          2HD2      LEU  73  -2.993  11.674   2.564
  611   3HD2  LEU  73          3HD2      LEU  73  -2.218  12.701   1.358
  612    H    ARG  74           H        ARG  74  -4.940  10.481  -0.428
  613    HA   ARG  74           HA       ARG  74  -6.181  11.771  -1.831
  614   1HB   ARG  74          1HB       ARG  74  -5.079  13.665  -0.828
  615   2HB   ARG  74          2HB       ARG  74  -3.657  13.430  -1.834
  616   1HG   ARG  74          1HG       ARG  74  -4.547  14.535  -3.558
  617   2HG   ARG  74          2HG       ARG  74  -6.128  13.781  -3.351
  618   1HD   ARG  74          1HD       ARG  74  -6.709  15.323  -1.615
  619   2HD   ARG  74          2HD       ARG  74  -5.072  15.979  -1.582
  620    HE   ARG  74           HE       ARG  74  -5.994  16.360  -4.153
  621   1HH1  ARG  74          1HH1      ARG  74  -7.636  18.830  -1.462
  622   2HH1  ARG  74          2HH1      ARG  74  -6.934  17.334  -0.944
  623   1HH2  ARG  74          1HH2      ARG  74  -6.915  18.329  -4.847
  624   2HH2  ARG  74          2HH2      ARG  74  -7.626  19.395  -3.682
  625    H    GLY  75           H        GLY  75  -3.247  12.699  -3.506
  626   1HA   GLY  75          1HA       GLY  75  -2.387  11.297  -5.365
  627   2HA   GLY  75          2HA       GLY  75  -4.069  10.963  -5.754
  628    H    GLY  76           H        GLY  76  -4.232  11.824  -7.757
  629   1HA   GLY  76          1HA       GLY  76  -4.912  14.334  -8.322
  630   2HA   GLY  76          2HA       GLY  76  -3.161  14.482  -8.286
  Start of MODEL   13
    1   1H    MET   1          1H        MET   1   2.581 -20.924  -1.861
    2   2H    MET   1          2H        MET   1   1.349 -19.780  -2.209
    3   3H    MET   1          3H        MET   1   2.642 -19.362  -1.160
    4    HA   MET   1           HA       MET   1   3.859 -20.184  -3.430
    5   1HB   MET   1          1HB       MET   1   2.752 -18.846  -5.175
    6   2HB   MET   1          2HB       MET   1   1.703 -20.122  -4.574
    7   1HG   MET   1          1HG       MET   1   0.246 -18.672  -3.614
    8   2HG   MET   1          2HG       MET   1   1.485 -17.459  -3.298
    9   1HE   MET   1          1HE       MET   1  -1.780 -17.043  -5.354
   10   2HE   MET   1          2HE       MET   1  -0.977 -15.480  -5.201
   11   3HE   MET   1          3HE       MET   1  -0.996 -16.598  -3.838
   12    H    GLN   2           H        GLN   2   5.425 -18.686  -3.965
   13    HA   GLN   2           HA       GLN   2   5.722 -16.486  -2.108
   14   1HB   GLN   2          1HB       GLN   2   7.478 -18.168  -3.559
   15   2HB   GLN   2          2HB       GLN   2   7.769 -16.526  -4.117
   16   1HG   GLN   2          1HG       GLN   2   8.643 -15.862  -2.148
   17   2HG   GLN   2          2HG       GLN   2   7.572 -16.891  -1.199
   18   1HE2  GLN   2          1HE2      GLN   2   9.239 -17.643   0.089
   19   2HE2  GLN   2          2HE2      GLN   2  10.428 -18.755  -0.492
   20    H    LEU   3           H        LEU   3   5.631 -14.343  -2.568
   21    HA   LEU   3           HA       LEU   3   4.945 -13.594  -5.334
   22   1HB   LEU   3          1HB       LEU   3   3.836 -12.431  -2.779
   23   2HB   LEU   3          2HB       LEU   3   3.500 -11.826  -4.390
   24    HG   LEU   3           HG       LEU   3   2.825 -14.642  -3.567
   25   1HD1  LEU   3          1HD1      LEU   3   0.810 -12.436  -3.618
   26   2HD1  LEU   3          2HD1      LEU   3   1.759 -12.739  -2.162
   27   3HD1  LEU   3          3HD1      LEU   3   0.732 -14.009  -2.826
   28   1HD2  LEU   3          1HD2      LEU   3   1.973 -12.831  -5.816
   29   2HD2  LEU   3          2HD2      LEU   3   1.166 -14.349  -5.426
   30   3HD2  LEU   3          3HD2      LEU   3   2.857 -14.352  -5.927
   31    H    PHE   4           H        PHE   4   5.777 -11.672  -6.123
   32    HA   PHE   4           HA       PHE   4   7.944 -10.510  -4.506
   33   1HB   PHE   4          1HB       PHE   4   7.595 -10.566  -7.511
   34   2HB   PHE   4          2HB       PHE   4   8.937  -9.805  -6.660
   35    HD1  PHE   4           HD1      PHE   4   7.200 -13.120  -6.614
   36    HD2  PHE   4           HD2      PHE   4  10.894 -10.989  -6.690
   37    HE1  PHE   4           HE1      PHE   4   8.428 -15.257  -6.648
   38    HE2  PHE   4           HE2      PHE   4  12.128 -13.123  -6.727
   39    HZ   PHE   4           HZ       PHE   4  10.894 -15.260  -6.705
   40    H    VAL   5           H        VAL   5   7.185  -8.744  -3.507
   41    HA   VAL   5           HA       VAL   5   5.350  -6.954  -4.905
   42    HB   VAL   5           HB       VAL   5   6.352  -6.659  -2.077
   43   1HG1  VAL   5          1HG1      VAL   5   4.666  -5.106  -3.763
   44   2HG1  VAL   5          2HG1      VAL   5   5.124  -4.811  -2.085
   45   3HG1  VAL   5          3HG1      VAL   5   3.690  -5.771  -2.452
   46   1HG2  VAL   5          1HG2      VAL   5   3.682  -7.716  -2.266
   47   2HG2  VAL   5          2HG2      VAL   5   5.072  -8.337  -1.376
   48   3HG2  VAL   5          3HG2      VAL   5   4.831  -8.788  -3.064
   49    H    LYS   6           H        LYS   6   5.886  -4.973  -5.635
   50    HA   LYS   6           HA       LYS   6   8.621  -4.019  -5.089
   51   1HB   LYS   6          1HB       LYS   6   8.819  -3.234  -7.320
   52   2HB   LYS   6          2HB       LYS   6   8.204  -4.877  -7.431
   53   1HG   LYS   6          1HG       LYS   6   6.580  -4.107  -8.720
   54   2HG   LYS   6          2HG       LYS   6   5.939  -3.250  -7.317
   55   1HD   LYS   6          1HD       LYS   6   6.189  -1.522  -8.813
   56   2HD   LYS   6          2HD       LYS   6   7.735  -1.461  -7.964
   57   1HE   LYS   6          1HE       LYS   6   8.800  -1.747  -9.889
   58   2HE   LYS   6          2HE       LYS   6   7.998  -3.303 -10.098
   59   1HZ   LYS   6          1HZ       LYS   6   6.411  -0.966 -10.763
   60   2HZ   LYS   6          2HZ       LYS   6   6.537  -2.452 -11.560
   61   3HZ   LYS   6          3HZ       LYS   6   7.724  -1.269 -11.785
   62    H    THR   7           H        THR   7   8.803  -1.593  -5.688
   63    HA   THR   7           HA       THR   7   6.417  -0.189  -4.678
   64    HB   THR   7           HB       THR   7   7.908   1.383  -3.526
   65    HG1  THR   7           HG1      THR   7   9.880  -0.186  -4.752
   66   1HG2  THR   7          1HG2      THR   7   9.178  -0.861  -2.334
   67   2HG2  THR   7          2HG2      THR   7   7.522  -1.298  -2.752
   68   3HG2  THR   7          3HG2      THR   7   7.832   0.105  -1.731
   69    H    LEU   8           H        LEU   8   6.637   2.264  -5.137
   70    HA   LEU   8           HA       LEU   8   6.752   2.578  -7.960
   71   1HB   LEU   8          1HB       LEU   8   5.727   4.020  -5.754
   72   2HB   LEU   8          2HB       LEU   8   6.814   5.103  -6.602
   73    HG   LEU   8           HG       LEU   8   4.616   3.591  -8.004
   74   1HD1  LEU   8          1HD1      LEU   8   3.602   4.974  -6.280
   75   2HD1  LEU   8          2HD1      LEU   8   3.294   5.646  -7.881
   76   3HD1  LEU   8          3HD1      LEU   8   4.520   6.371  -6.841
   77   1HD2  LEU   8          1HD2      LEU   8   6.032   4.328  -9.649
   78   2HD2  LEU   8          2HD2      LEU   8   6.548   5.740  -8.728
   79   3HD2  LEU   8          3HD2      LEU   8   4.959   5.719  -9.494
   80    H    THR   9           H        THR   9   9.105   2.755  -5.518
   81    HA   THR   9           HA       THR   9  10.848   4.549  -7.011
   82    HB   THR   9           HB       THR   9  12.296   4.502  -5.119
   83    HG1  THR   9           HG1      THR   9  12.274   2.948  -3.623
   84   1HG2  THR   9          1HG2      THR   9   9.567   5.122  -4.780
   85   2HG2  THR   9          2HG2      THR   9  10.958   5.759  -3.900
   86   3HG2  THR   9          3HG2      THR   9  10.119   4.324  -3.306
   87    H    GLY  10           H        GLY  10  11.015   1.229  -5.713
   88   1HA   GLY  10          1HA       GLY  10  11.876  -0.081  -7.945
   89   2HA   GLY  10          2HA       GLY  10  13.347   0.603  -7.270
   90    H    LYS  11           H        LYS  11  12.678   0.348  -4.528
   91    HA   LYS  11           HA       LYS  11  13.732  -2.019  -3.793
   92   1HB   LYS  11          1HB       LYS  11  12.002  -0.059  -2.498
   93   2HB   LYS  11          2HB       LYS  11  11.804  -1.674  -1.834
   94   1HG   LYS  11          1HG       LYS  11  14.538  -1.395  -2.010
   95   2HG   LYS  11          2HG       LYS  11  13.988   0.211  -1.528
   96   1HD   LYS  11          1HD       LYS  11  12.842  -2.150  -0.129
   97   2HD   LYS  11          2HD       LYS  11  14.496  -1.673   0.256
   98   1HE   LYS  11          1HE       LYS  11  12.426   0.452   0.186
   99   2HE   LYS  11          2HE       LYS  11  12.394  -0.677   1.541
  100   1HZ   LYS  11          1HZ       LYS  11  14.472   0.002   2.259
  101   2HZ   LYS  11          2HZ       LYS  11  13.774   1.457   1.750
  102   3HZ   LYS  11          3HZ       LYS  11  14.902   0.669   0.765
  103    H    THR  12           H        THR  12  13.234  -4.094  -4.017
  104    HA   THR  12           HA       THR  12  10.402  -4.827  -4.368
  105    HB   THR  12           HB       THR  12  12.722  -6.250  -5.674
  106    HG1  THR  12           HG1      THR  12  12.136  -3.921  -6.318
  107   1HG2  THR  12          1HG2      THR  12   9.773  -6.512  -5.806
  108   2HG2  THR  12          2HG2      THR  12  11.028  -7.750  -5.855
  109   3HG2  THR  12          3HG2      THR  12  10.704  -6.767  -7.282
  110    H    LEU  13           H        LEU  13   9.701  -6.036  -2.749
  111    HA   LEU  13           HA       LEU  13  11.626  -7.756  -1.333
  112   1HB   LEU  13          1HB       LEU  13  10.327  -7.526   0.632
  113   2HB   LEU  13          2HB       LEU  13  10.516  -5.916  -0.033
  114    HG   LEU  13           HG       LEU  13   8.088  -7.215  -0.980
  115   1HD1  LEU  13          1HD1      LEU  13   8.465  -8.176   1.384
  116   2HD1  LEU  13          2HD1      LEU  13   6.899  -7.462   0.997
  117   3HD1  LEU  13          3HD1      LEU  13   8.078  -6.547   1.937
  118   1HD2  LEU  13          1HD2      LEU  13   9.015  -4.610   0.028
  119   2HD2  LEU  13          2HD2      LEU  13   7.320  -4.989   0.334
  120   3HD2  LEU  13          3HD2      LEU  13   7.942  -4.994  -1.317
  121    H    THR  14           H        THR  14  10.572  -9.720  -0.303
  122    HA   THR  14           HA       THR  14   8.506 -10.849  -2.065
  123    HB   THR  14           HB       THR  14  11.006 -12.249  -1.098
  124    HG1  THR  14           HG1      THR  14  11.602 -12.221  -3.223
  125   1HG2  THR  14          1HG2      THR  14  10.196 -14.225  -1.714
  126   2HG2  THR  14          2HG2      THR  14   9.428 -13.564  -3.156
  127   3HG2  THR  14          3HG2      THR  14   8.610 -13.464  -1.598
  128    H    VAL  15           H        VAL  15   7.005 -12.174  -1.108
  129    HA   VAL  15           HA       VAL  15   7.306 -12.742   1.755
  130    HB   VAL  15           HB       VAL  15   4.864 -12.148   2.051
  131   1HG1  VAL  15          1HG1      VAL  15   5.730 -10.375   3.064
  132   2HG1  VAL  15          2HG1      VAL  15   5.837  -9.533   1.518
  133   3HG1  VAL  15          3HG1      VAL  15   7.186 -10.521   2.079
  134   1HG2  VAL  15          1HG2      VAL  15   5.336 -11.032  -0.690
  135   2HG2  VAL  15          2HG2      VAL  15   4.141 -10.312   0.389
  136   3HG2  VAL  15          3HG2      VAL  15   3.985 -12.000  -0.100
  137    H    GLU  16           H        GLU  16   6.133 -14.532   2.508
  138    HA   GLU  16           HA       GLU  16   5.339 -16.388   0.386
  139   1HB   GLU  16          1HB       GLU  16   5.632 -17.155   3.270
  140   2HB   GLU  16          2HB       GLU  16   5.850 -18.145   1.833
  141   1HG   GLU  16          1HG       GLU  16   7.941 -17.142   1.351
  142   2HG   GLU  16          2HG       GLU  16   7.687 -15.882   2.558
  143    H    LEU  17           H        LEU  17   3.246 -16.411  -0.083
  144    HA   LEU  17           HA       LEU  17   1.319 -16.524   2.122
  145   1HB   LEU  17          1HB       LEU  17   1.660 -14.278   0.483
  146   2HB   LEU  17          2HB       LEU  17   0.223 -15.076  -0.124
  147    HG   LEU  17           HG       LEU  17  -0.791 -14.977   2.104
  148   1HD1  LEU  17          1HD1      LEU  17   1.688 -13.468   2.919
  149   2HD1  LEU  17          2HD1      LEU  17   1.296 -15.119   3.400
  150   3HD1  LEU  17          3HD1      LEU  17   0.269 -13.782   3.919
  151   1HD2  LEU  17          1HD2      LEU  17  -0.640 -12.340   2.279
  152   2HD2  LEU  17          2HD2      LEU  17  -1.496 -13.140   0.960
  153   3HD2  LEU  17          3HD2      LEU  17   0.139 -12.529   0.708
  154    H    GLU  18           H        GLU  18  -0.955 -17.027   1.129
  155    HA   GLU  18           HA       GLU  18  -0.583 -19.116  -0.917
  156   1HB   GLU  18          1HB       GLU  18  -2.558 -19.102   1.372
  157   2HB   GLU  18          2HB       GLU  18  -2.381 -20.374   0.171
  158   1HG   GLU  18          1HG       GLU  18   0.094 -19.719   1.573
  159   2HG   GLU  18          2HG       GLU  18  -1.187 -20.326   2.620
  160    HA   PRO  19           HA       PRO  19  -3.634 -17.222  -3.452
  161   1HB   PRO  19          1HB       PRO  19  -5.048 -19.382  -4.350
  162   2HB   PRO  19          2HB       PRO  19  -3.447 -18.942  -4.952
  163   1HG   PRO  19          1HG       PRO  19  -4.207 -20.992  -2.906
  164   2HG   PRO  19          2HG       PRO  19  -3.025 -21.111  -4.223
  165   1HD   PRO  19          1HD       PRO  19  -2.276 -20.652  -1.678
  166   2HD   PRO  19          2HD       PRO  19  -1.416 -19.925  -3.052
  167    H    SER  20           H        SER  20  -4.581 -19.201  -0.790
  168    HA   SER  20           HA       SER  20  -7.390 -18.515  -0.984
  169   1HB   SER  20          1HB       SER  20  -7.757 -20.044   0.727
  170   2HB   SER  20          2HB       SER  20  -6.319 -20.718  -0.041
  171    HG   SER  20           HG       SER  20  -6.492 -20.260   2.427
  172    H    ASP  21           H        ASP  21  -4.541 -17.288   0.492
  173    HA   ASP  21           HA       ASP  21  -5.603 -15.958   2.713
  174   1HB   ASP  21          1HB       ASP  21  -3.194 -15.509   0.983
  175   2HB   ASP  21          2HB       ASP  21  -3.609 -14.341   2.234
  176    H    THR  22           H        THR  22  -5.352 -13.382   2.731
  177    HA   THR  22           HA       THR  22  -6.790 -12.283   0.419
  178    HB   THR  22           HB       THR  22  -8.460 -11.278   1.725
  179    HG1  THR  22           HG1      THR  22  -8.322 -11.339   4.057
  180   1HG2  THR  22          1HG2      THR  22  -9.188 -13.119   3.407
  181   2HG2  THR  22          2HG2      THR  22  -7.889 -14.048   2.658
  182   3HG2  THR  22          3HG2      THR  22  -9.219 -13.441   1.673
  183    H    VAL  23           H        VAL  23  -6.857  -9.849   0.501
  184    HA   VAL  23           HA       VAL  23  -4.360  -8.744   0.440
  185    HB   VAL  23           HB       VAL  23  -6.987  -7.390   1.047
  186   1HG1  VAL  23          1HG1      VAL  23  -5.491  -5.398   0.057
  187   2HG1  VAL  23          2HG1      VAL  23  -4.244  -6.300   0.919
  188   3HG1  VAL  23          3HG1      VAL  23  -5.662  -5.710   1.785
  189   1HG2  VAL  23          1HG2      VAL  23  -6.909  -8.415  -1.133
  190   2HG2  VAL  23          2HG2      VAL  23  -5.347  -7.666  -1.469
  191   3HG2  VAL  23          3HG2      VAL  23  -6.790  -6.664  -1.315
  192    H    GLU  24           H        GLU  24  -6.617  -8.724   3.183
  193    HA   GLU  24           HA       GLU  24  -5.327  -7.151   4.986
  194   1HB   GLU  24          1HB       GLU  24  -6.896  -9.679   5.300
  195   2HB   GLU  24          2HB       GLU  24  -6.122  -8.970   6.711
  196   1HG   GLU  24          1HG       GLU  24  -7.435  -7.061   6.633
  197   2HG   GLU  24          2HG       GLU  24  -7.875  -7.315   4.945
  198    H    ASN  25           H        ASN  25  -4.667 -10.605   4.442
  199    HA   ASN  25           HA       ASN  25  -2.547 -10.819   6.271
  200   1HB   ASN  25          1HB       ASN  25  -2.892 -12.417   3.727
  201   2HB   ASN  25          2HB       ASN  25  -2.012 -12.901   5.173
  202   1HD2  ASN  25          1HD2      ASN  25  -3.100 -13.751   6.877
  203   2HD2  ASN  25          2HD2      ASN  25  -4.794 -14.093   6.861
  204    H    LEU  26           H        LEU  26  -2.463 -10.408   2.729
  205    HA   LEU  26           HA       LEU  26   0.266 -10.222   2.374
  206   1HB   LEU  26          1HB       LEU  26  -1.268 -10.298   0.505
  207   2HB   LEU  26          2HB       LEU  26  -1.935  -8.737   0.942
  208    HG   LEU  26           HG       LEU  26   0.023  -7.590   0.262
  209   1HD1  LEU  26          1HD1      LEU  26   1.404 -10.211  -0.250
  210   2HD1  LEU  26          2HD1      LEU  26   1.576  -9.313   1.258
  211   3HD1  LEU  26          3HD1      LEU  26   2.097  -8.590  -0.264
  212   1HD2  LEU  26          1HD2      LEU  26  -1.108  -9.610  -1.558
  213   2HD2  LEU  26          2HD2      LEU  26   0.412  -8.879  -2.072
  214   3HD2  LEU  26          3HD2      LEU  26  -0.987  -7.860  -1.735
  215    H    LYS  27           H        LYS  27  -1.992  -7.524   2.942
  216    HA   LYS  27           HA       LYS  27  -0.088  -5.488   3.065
  217   1HB   LYS  27          1HB       LYS  27  -2.683  -5.627   4.609
  218   2HB   LYS  27          2HB       LYS  27  -1.785  -4.172   4.201
  219   1HG   LYS  27          1HG       LYS  27  -2.241  -5.460   1.768
  220   2HG   LYS  27          2HG       LYS  27  -3.752  -5.603   2.669
  221   1HD   LYS  27          1HD       LYS  27  -3.518  -3.113   3.146
  222   2HD   LYS  27          2HD       LYS  27  -2.265  -3.105   1.903
  223   1HE   LYS  27          1HE       LYS  27  -3.948  -4.127   0.344
  224   2HE   LYS  27          2HE       LYS  27  -5.169  -3.843   1.585
  225   1HZ   LYS  27          1HZ       LYS  27  -3.558  -1.536   0.921
  226   2HZ   LYS  27          2HZ       LYS  27  -5.231  -1.664   1.137
  227   3HZ   LYS  27          3HZ       LYS  27  -4.534  -2.095  -0.343
  228    H    ALA  28           H        ALA  28  -1.372  -7.593   5.601
  229    HA   ALA  28           HA       ALA  28  -0.271  -6.443   7.847
  230   1HB   ALA  28          1HB       ALA  28  -0.326  -9.419   7.416
  231   2HB   ALA  28          2HB       ALA  28  -1.785  -8.471   7.704
  232   3HB   ALA  28          3HB       ALA  28  -0.515  -8.527   8.925
  233    H    LYS  29           H        LYS  29   1.258  -8.632   5.525
  234    HA   LYS  29           HA       LYS  29   3.719  -8.876   6.906
  235   1HB   LYS  29          1HB       LYS  29   3.257  -9.145   3.932
  236   2HB   LYS  29          2HB       LYS  29   4.580  -9.834   4.863
  237   1HG   LYS  29          1HG       LYS  29   1.701 -10.648   4.805
  238   2HG   LYS  29          2HG       LYS  29   3.140 -11.625   4.506
  239   1HD   LYS  29          1HD       LYS  29   3.757 -11.438   6.868
  240   2HD   LYS  29          2HD       LYS  29   2.315 -10.464   7.166
  241   1HE   LYS  29          1HE       LYS  29   0.882 -12.301   6.619
  242   2HE   LYS  29          2HE       LYS  29   2.250 -13.270   6.073
  243   1HZ   LYS  29          1HZ       LYS  29   2.964 -13.630   8.217
  244   2HZ   LYS  29          2HZ       LYS  29   1.285 -13.663   8.412
  245   3HZ   LYS  29          3HZ       LYS  29   2.158 -12.281   8.845
  246    H    ILE  30           H        ILE  30   2.660  -6.791   4.232
  247    HA   ILE  30           HA       ILE  30   5.099  -5.452   3.848
  248    HB   ILE  30           HB       ILE  30   2.361  -4.264   3.406
  249   1HG1  ILE  30          1HG1      ILE  30   3.963  -6.193   1.725
  250   2HG1  ILE  30          2HG1      ILE  30   2.315  -6.383   2.315
  251   1HG2  ILE  30          1HG2      ILE  30   3.351  -2.687   2.110
  252   2HG2  ILE  30          2HG2      ILE  30   4.652  -3.763   1.600
  253   3HG2  ILE  30          3HG2      ILE  30   4.703  -3.010   3.194
  254   1HD1  ILE  30          1HD1      ILE  30   2.271  -5.899  -0.029
  255   2HD1  ILE  30          2HD1      ILE  30   3.265  -4.461   0.208
  256   3HD1  ILE  30          3HD1      ILE  30   1.625  -4.516   0.853
  257    H    GLN  31           H        GLN  31   2.801  -5.249   6.367
  258    HA   GLN  31           HA       GLN  31   3.606  -2.576   7.187
  259   1HB   GLN  31          1HB       GLN  31   1.231  -3.420   7.369
  260   2HB   GLN  31          2HB       GLN  31   1.786  -4.489   8.650
  261   1HG   GLN  31          1HG       GLN  31   2.491  -2.554   9.961
  262   2HG   GLN  31          2HG       GLN  31   1.932  -1.483   8.677
  263   1HE2  GLN  31          1HE2      GLN  31   0.447  -0.451   9.982
  264   2HE2  GLN  31          2HE2      GLN  31  -1.004  -1.213  10.526
  265    H    ASP  32           H        ASP  32   4.303  -5.888   7.908
  266    HA   ASP  32           HA       ASP  32   5.645  -5.243  10.403
  267   1HB   ASP  32          1HB       ASP  32   4.420  -7.542   9.363
  268   2HB   ASP  32          2HB       ASP  32   6.133  -7.919   9.493
  269    H    LYS  33           H        LYS  33   6.451  -6.369   7.148
  270    HA   LYS  33           HA       LYS  33   9.262  -6.508   7.658
  271   1HB   LYS  33          1HB       LYS  33   7.451  -7.050   5.440
  272   2HB   LYS  33          2HB       LYS  33   8.949  -6.299   4.910
  273   1HG   LYS  33          1HG       LYS  33   8.942  -8.678   6.733
  274   2HG   LYS  33          2HG       LYS  33   8.851  -8.846   4.978
  275   1HD   LYS  33          1HD       LYS  33  11.014  -7.287   6.382
  276   2HD   LYS  33          2HD       LYS  33  11.164  -8.998   5.973
  277   1HE   LYS  33          1HE       LYS  33  10.367  -7.979   3.597
  278   2HE   LYS  33          2HE       LYS  33  11.278  -6.616   4.247
  279   1HZ   LYS  33          1HZ       LYS  33  12.716  -9.005   4.665
  280   2HZ   LYS  33          2HZ       LYS  33  13.158  -7.647   3.759
  281   3HZ   LYS  33          3HZ       LYS  33  12.282  -8.899   3.033
  282    H    GLU  34           H        GLU  34   7.242  -4.293   5.728
  283    HA   GLU  34           HA       GLU  34   9.446  -2.390   5.595
  284   1HB   GLU  34          1HB       GLU  34   7.074  -2.952   4.016
  285   2HB   GLU  34          2HB       GLU  34   7.216  -1.238   4.380
  286   1HG   GLU  34          1HG       GLU  34   9.306  -2.955   3.062
  287   2HG   GLU  34          2HG       GLU  34   8.275  -1.765   2.269
  288    H    GLY  35           H        GLY  35   5.957  -2.124   6.323
  289   1HA   GLY  35          1HA       GLY  35   5.471  -1.286   8.647
  290   2HA   GLY  35          2HA       GLY  35   6.655  -0.038   8.295
  291    H    ILE  36           H        ILE  36   4.378  -1.206   5.910
  292    HA   ILE  36           HA       ILE  36   3.179   1.470   5.839
  293    HB   ILE  36           HB       ILE  36   2.705  -0.653   3.772
  294   1HG1  ILE  36          1HG1      ILE  36   5.007   1.306   3.740
  295   2HG1  ILE  36          2HG1      ILE  36   5.174  -0.393   4.171
  296   1HG2  ILE  36          1HG2      ILE  36   2.438   2.307   3.963
  297   2HG2  ILE  36          2HG2      ILE  36   1.314   1.112   3.316
  298   3HG2  ILE  36          3HG2      ILE  36   2.741   1.573   2.387
  299   1HD1  ILE  36          1HD1      ILE  36   5.701  -0.590   1.999
  300   2HD1  ILE  36          2HD1      ILE  36   4.822   0.868   1.540
  301   3HD1  ILE  36          3HD1      ILE  36   3.949  -0.643   1.800
  302    HA   PRO  37           HA       PRO  37  -0.523  -0.287   7.563
  303   1HB   PRO  37          1HB       PRO  37  -2.009   1.943   7.585
  304   2HB   PRO  37          2HB       PRO  37  -0.634   1.738   8.676
  305   1HG   PRO  37          1HG       PRO  37  -0.832   3.299   6.137
  306   2HG   PRO  37          2HG       PRO  37   0.000   3.713   7.645
  307   1HD   PRO  37          1HD       PRO  37   1.224   2.682   5.391
  308   2HD   PRO  37          2HD       PRO  37   1.889   2.595   7.033
  309    HA   PRO  38           HA       PRO  38  -2.967  -1.456   4.064
  310   1HB   PRO  38          1HB       PRO  38  -5.217  -1.576   5.991
  311   2HB   PRO  38          2HB       PRO  38  -4.568  -2.837   4.939
  312   1HG   PRO  38          1HG       PRO  38  -4.122  -2.877   7.571
  313   2HG   PRO  38          2HG       PRO  38  -2.871  -3.382   6.419
  314   1HD   PRO  38          1HD       PRO  38  -3.128  -0.818   7.940
  315   2HD   PRO  38          2HD       PRO  38  -1.674  -1.766   7.564
  316    H    ASP  39           H        ASP  39  -3.989   1.080   6.250
  317    HA   ASP  39           HA       ASP  39  -6.130   2.042   4.628
  318   1HB   ASP  39          1HB       ASP  39  -6.361   3.767   6.199
  319   2HB   ASP  39          2HB       ASP  39  -5.743   2.418   7.149
  320    H    GLN  40           H        GLN  40  -2.812   2.155   4.247
  321    HA   GLN  40           HA       GLN  40  -3.054   4.424   2.392
  322   1HB   GLN  40          1HB       GLN  40  -0.579   3.828   4.013
  323   2HB   GLN  40          2HB       GLN  40  -0.869   5.220   2.980
  324   1HG   GLN  40          1HG       GLN  40  -2.799   5.765   4.559
  325   2HG   GLN  40          2HG       GLN  40  -2.066   4.592   5.652
  326   1HE2  GLN  40          1HE2      GLN  40  -1.589   7.629   3.977
  327   2HE2  GLN  40          2HE2      GLN  40  -0.341   8.225   5.013
  328    H    GLN  41           H        GLN  41  -2.739   1.241   2.524
  329    HA   GLN  41           HA       GLN  41  -0.531   0.937   0.654
  330   1HB   GLN  41          1HB       GLN  41  -2.116  -0.843   2.381
  331   2HB   GLN  41          2HB       GLN  41  -1.689  -1.533   0.820
  332   1HG   GLN  41          1HG       GLN  41   0.684  -0.960   1.290
  333   2HG   GLN  41          2HG       GLN  41   0.191  -0.456   2.907
  334   1HE2  GLN  41          1HE2      GLN  41   0.269  -1.929   4.444
  335   2HE2  GLN  41          2HE2      GLN  41   0.316  -3.640   4.210
  336    H    ARG  42           H        ARG  42  -0.744   0.796  -1.488
  337    HA   ARG  42           HA       ARG  42  -3.427   0.304  -2.598
  338   1HB   ARG  42          1HB       ARG  42  -1.767   2.639  -2.880
  339   2HB   ARG  42          2HB       ARG  42  -1.993   1.879  -4.449
  340   1HG   ARG  42          1HG       ARG  42  -4.520   1.880  -3.263
  341   2HG   ARG  42          2HG       ARG  42  -3.824   3.461  -2.901
  342   1HD   ARG  42          1HD       ARG  42  -3.746   4.085  -5.091
  343   2HD   ARG  42          2HD       ARG  42  -3.529   2.432  -5.667
  344    HE   ARG  42           HE       ARG  42  -5.792   2.277  -5.902
  345   1HH1  ARG  42          1HH1      ARG  42  -6.724   5.420  -3.603
  346   2HH1  ARG  42          2HH1      ARG  42  -5.078   4.895  -3.720
  347   1HH2  ARG  42          1HH2      ARG  42  -7.964   2.960  -5.757
  348   2HH2  ARG  42          2HH2      ARG  42  -8.366   4.318  -4.762
  349    H    LEU  43           H        LEU  43  -3.225  -1.734  -3.335
  350    HA   LEU  43           HA       LEU  43  -0.800  -2.562  -4.712
  351   1HB   LEU  43          1HB       LEU  43  -3.310  -4.074  -3.989
  352   2HB   LEU  43          2HB       LEU  43  -1.926  -4.784  -4.799
  353    HG   LEU  43           HG       LEU  43  -1.626  -3.453  -2.124
  354   1HD1  LEU  43          1HD1      LEU  43  -2.560  -6.250  -2.707
  355   2HD1  LEU  43          2HD1      LEU  43  -3.327  -5.033  -1.687
  356   3HD1  LEU  43          3HD1      LEU  43  -1.814  -5.783  -1.178
  357   1HD2  LEU  43          1HD2      LEU  43   0.316  -4.125  -3.666
  358   2HD2  LEU  43          2HD2      LEU  43  -0.100  -5.782  -3.232
  359   3HD2  LEU  43          3HD2      LEU  43   0.376  -4.637  -1.980
  360    H    ILE  44           H        ILE  44  -0.625  -1.982  -6.776
  361    HA   ILE  44           HA       ILE  44  -3.024  -2.113  -8.482
  362    HB   ILE  44           HB       ILE  44  -0.502  -0.503  -8.901
  363   1HG1  ILE  44          1HG1      ILE  44  -1.870   0.430  -7.120
  364   2HG1  ILE  44          2HG1      ILE  44  -1.995   1.446  -8.553
  365   1HG2  ILE  44          1HG2      ILE  44  -2.521  -1.368 -10.731
  366   2HG2  ILE  44          2HG2      ILE  44  -1.083  -0.394 -11.038
  367   3HG2  ILE  44          3HG2      ILE  44  -2.591   0.387 -10.562
  368   1HD1  ILE  44          1HD1      ILE  44  -4.025  -0.577  -7.639
  369   2HD1  ILE  44          2HD1      ILE  44  -4.149   0.428  -9.083
  370   3HD1  ILE  44          3HD1      ILE  44  -4.150   1.175  -7.486
  371    H    PHE  45           H        PHE  45  -2.593  -4.445  -8.641
  372    HA   PHE  45           HA       PHE  45  -0.230  -5.424  -9.877
  373   1HB   PHE  45          1HB       PHE  45  -1.607  -6.885  -8.509
  374   2HB   PHE  45          2HB       PHE  45  -2.974  -6.663  -9.596
  375    HD1  PHE  45           HD1      PHE  45   0.304  -6.955 -11.096
  376    HD2  PHE  45           HD2      PHE  45  -3.110  -9.131  -9.756
  377    HE1  PHE  45           HE1      PHE  45   1.036  -8.907 -12.413
  378    HE2  PHE  45           HE2      PHE  45  -2.384 -11.087 -11.069
  379    HZ   PHE  45           HZ       PHE  45  -0.309 -10.975 -12.400
  380    H    ALA  46           H        ALA  46   0.200  -4.367 -11.781
  381    HA   ALA  46           HA       ALA  46   0.045  -3.789 -13.980
  382   1HB   ALA  46          1HB       ALA  46  -0.039  -5.632 -15.231
  383   2HB   ALA  46          2HB       ALA  46  -1.725  -5.933 -14.808
  384   3HB   ALA  46          3HB       ALA  46  -0.434  -6.503 -13.749
  385    H    GLY  47           H        GLY  47  -2.146  -2.935 -12.084
  386   1HA   GLY  47          1HA       GLY  47  -3.666  -1.176 -12.852
  387   2HA   GLY  47          2HA       GLY  47  -4.121  -2.246 -14.167
  388    H    LYS  48           H        LYS  48  -3.829  -4.280 -11.682
  389    HA   LYS  48           HA       LYS  48  -6.697  -4.209 -11.135
  390   1HB   LYS  48          1HB       LYS  48  -4.556  -6.287 -10.887
  391   2HB   LYS  48          2HB       LYS  48  -6.031  -6.452  -9.946
  392   1HG   LYS  48          1HG       LYS  48  -6.405  -5.879 -12.808
  393   2HG   LYS  48          2HG       LYS  48  -5.703  -7.451 -12.420
  394   1HD   LYS  48          1HD       LYS  48  -7.579  -7.914 -10.915
  395   2HD   LYS  48          2HD       LYS  48  -8.278  -6.340 -11.302
  396   1HE   LYS  48          1HE       LYS  48  -8.741  -6.969 -13.516
  397   2HE   LYS  48          2HE       LYS  48  -7.671  -8.368 -13.431
  398   1HZ   LYS  48          1HZ       LYS  48  -9.262  -9.625 -12.514
  399   2HZ   LYS  48          2HZ       LYS  48 -10.333  -8.470 -13.130
  400   3HZ   LYS  48          3HZ       LYS  48  -9.836  -8.385 -11.516
  401    H    GLN  49           H        GLN  49  -7.275  -2.972  -9.471
  402    HA   GLN  49           HA       GLN  49  -5.504  -2.523  -7.233
  403   1HB   GLN  49          1HB       GLN  49  -7.217  -0.879  -8.365
  404   2HB   GLN  49          2HB       GLN  49  -8.361  -1.634  -7.264
  405   1HG   GLN  49          1HG       GLN  49  -6.083   0.168  -6.697
  406   2HG   GLN  49          2HG       GLN  49  -7.693   0.114  -5.983
  407   1HE2  GLN  49          1HE2      GLN  49  -8.113  -1.339  -4.310
  408   2HE2  GLN  49          2HE2      GLN  49  -6.844  -2.078  -3.401
  409    H    LEU  50           H        LEU  50  -5.320  -4.028  -5.709
  410    HA   LEU  50           HA       LEU  50  -7.357  -5.972  -5.197
  411   1HB   LEU  50          1HB       LEU  50  -4.917  -5.356  -3.532
  412   2HB   LEU  50          2HB       LEU  50  -5.863  -6.832  -3.508
  413    HG   LEU  50           HG       LEU  50  -4.116  -5.855  -5.766
  414   1HD1  LEU  50          1HD1      LEU  50  -3.701  -7.600  -3.486
  415   2HD1  LEU  50          2HD1      LEU  50  -2.531  -6.904  -4.607
  416   3HD1  LEU  50          3HD1      LEU  50  -3.363  -8.404  -5.019
  417   1HD2  LEU  50          1HD2      LEU  50  -5.549  -8.487  -5.687
  418   2HD2  LEU  50          2HD2      LEU  50  -4.800  -7.670  -7.059
  419   3HD2  LEU  50          3HD2      LEU  50  -6.306  -7.053  -6.380
  420    H    GLU  51           H        GLU  51  -9.018  -5.837  -3.841
  421    HA   GLU  51           HA       GLU  51  -9.095  -3.584  -1.957
  422   1HB   GLU  51          1HB       GLU  51 -11.497  -5.241  -2.615
  423   2HB   GLU  51          2HB       GLU  51 -11.404  -3.545  -2.160
  424   1HG   GLU  51          1HG       GLU  51 -10.382  -3.068  -4.370
  425   2HG   GLU  51          2HG       GLU  51 -10.659  -4.752  -4.813
  426    H    ASP  52           H        ASP  52  -9.445  -3.876   0.202
  427    HA   ASP  52           HA       ASP  52  -8.577  -6.195   1.441
  428   1HB   ASP  52          1HB       ASP  52 -10.530  -4.381   2.813
  429   2HB   ASP  52          2HB       ASP  52  -9.087  -5.156   3.453
  430    H    GLY  53           H        GLY  53  -9.521  -8.040   2.123
  431   1HA   GLY  53          1HA       GLY  53 -11.420  -9.283   2.919
  432   2HA   GLY  53          2HA       GLY  53 -12.453  -8.247   1.946
  433    H    ARG  54           H        ARG  54 -10.340  -8.557  -0.263
  434    HA   ARG  54           HA       ARG  54 -11.557 -10.935  -1.415
  435   1HB   ARG  54          1HB       ARG  54  -9.599  -9.057  -2.734
  436   2HB   ARG  54          2HB       ARG  54 -10.704 -10.179  -3.516
  437   1HG   ARG  54          1HG       ARG  54 -12.116  -8.309  -1.825
  438   2HG   ARG  54          2HG       ARG  54 -11.128  -7.485  -3.034
  439   1HD   ARG  54          1HD       ARG  54 -13.145  -7.809  -4.137
  440   2HD   ARG  54          2HD       ARG  54 -12.161  -9.159  -4.698
  441    HE   ARG  54           HE       ARG  54 -13.413 -10.280  -2.643
  442   1HH1  ARG  54          1HH1      ARG  54 -16.222  -8.943  -5.164
  443   2HH1  ARG  54          2HH1      ARG  54 -14.642  -8.234  -5.181
  444   1HH2  ARG  54          1HH2      ARG  54 -15.490 -11.221  -2.615
  445   2HH2  ARG  54          2HH2      ARG  54 -16.705 -10.641  -3.706
  446    H    THR  55           H        THR  55 -10.442 -12.735  -2.119
  447    HA   THR  55           HA       THR  55  -7.887 -13.187  -0.798
  448    HB   THR  55           HB       THR  55  -8.240 -15.553  -1.499
  449    HG1  THR  55           HG1      THR  55 -10.306 -16.055  -2.373
  450   1HG2  THR  55          1HG2      THR  55 -10.290 -14.124   0.114
  451   2HG2  THR  55          2HG2      THR  55  -9.073 -15.297   0.616
  452   3HG2  THR  55          3HG2      THR  55 -10.509 -15.834  -0.256
  453    H    LEU  56           H        LEU  56  -5.990 -13.722  -1.834
  454    HA   LEU  56           HA       LEU  56  -5.257 -12.492  -4.134
  455   1HB   LEU  56          1HB       LEU  56  -4.175 -15.200  -3.384
  456   2HB   LEU  56          2HB       LEU  56  -3.340 -13.908  -4.227
  457    HG   LEU  56           HG       LEU  56  -4.130 -13.962  -1.317
  458   1HD1  LEU  56          1HD1      LEU  56  -1.415 -13.356  -1.714
  459   2HD1  LEU  56          2HD1      LEU  56  -1.782 -14.728  -2.759
  460   3HD1  LEU  56          3HD1      LEU  56  -2.111 -14.825  -1.028
  461   1HD2  LEU  56          1HD2      LEU  56  -2.643 -11.757  -1.509
  462   2HD2  LEU  56          2HD2      LEU  56  -4.401 -11.736  -1.662
  463   3HD2  LEU  56          3HD2      LEU  56  -3.390 -11.724  -3.107
  464    H    SER  57           H        SER  57  -6.514 -15.802  -3.883
  465    HA   SER  57           HA       SER  57  -6.286 -16.564  -6.538
  466   1HB   SER  57          1HB       SER  57  -7.157 -18.422  -5.643
  467   2HB   SER  57          2HB       SER  57  -7.622 -17.528  -4.196
  468    HG   SER  57           HG       SER  57  -9.578 -17.034  -5.158
  469    H    ASP  58           H        ASP  58  -8.924 -14.821  -4.935
  470    HA   ASP  58           HA       ASP  58 -10.815 -14.710  -6.893
  471   1HB   ASP  58          1HB       ASP  58  -9.918 -12.548  -4.989
  472   2HB   ASP  58          2HB       ASP  58 -11.336 -12.380  -6.020
  473    H    TYR  59           H        TYR  59  -7.825 -12.858  -6.728
  474    HA   TYR  59           HA       TYR  59  -8.468 -11.440  -9.187
  475   1HB   TYR  59          1HB       TYR  59  -6.170 -11.279  -7.242
  476   2HB   TYR  59          2HB       TYR  59  -6.154 -10.424  -8.780
  477    HD1  TYR  59           HD1      TYR  59  -7.241 -10.355  -5.371
  478    HD2  TYR  59           HD2      TYR  59  -8.049  -8.768  -9.243
  479    HE1  TYR  59           HE1      TYR  59  -8.493  -8.500  -4.342
  480    HE2  TYR  59           HE2      TYR  59  -9.303  -6.908  -8.227
  481    HH   TYR  59           HH       TYR  59  -9.184  -5.735  -5.761
  482    H    ASN  60           H        ASN  60  -7.968 -14.394  -9.048
  483    HA   ASN  60           HA       ASN  60  -6.694 -16.026 -10.054
  484   1HB   ASN  60          1HB       ASN  60  -6.374 -15.470 -12.543
  485   2HB   ASN  60          2HB       ASN  60  -8.019 -15.473 -11.917
  486   1HD2  ASN  60          1HD2      ASN  60  -5.734 -13.751 -13.632
  487   2HD2  ASN  60          2HD2      ASN  60  -6.512 -12.210 -13.635
  488    H    LEU  61           H        LEU  61  -4.874 -15.388  -8.558
  489    HA   LEU  61           HA       LEU  61  -2.651 -14.056  -9.902
  490   1HB   LEU  61          1HB       LEU  61  -3.270 -14.819  -7.087
  491   2HB   LEU  61          2HB       LEU  61  -1.589 -14.646  -7.552
  492    HG   LEU  61           HG       LEU  61  -2.862 -12.621  -6.526
  493   1HD1  LEU  61          1HD1      LEU  61  -1.182 -12.371  -9.017
  494   2HD1  LEU  61          2HD1      LEU  61  -0.590 -12.507  -7.361
  495   3HD1  LEU  61          3HD1      LEU  61  -1.495 -11.078  -7.859
  496   1HD2  LEU  61          1HD2      LEU  61  -4.029 -11.226  -8.067
  497   2HD2  LEU  61          2HD2      LEU  61  -4.755 -12.831  -8.147
  498   3HD2  LEU  61          3HD2      LEU  61  -3.650 -12.300  -9.414
  499    H    GLN  62           H        GLN  62  -0.460 -15.060  -9.663
  500    HA   GLN  62           HA       GLN  62  -0.575 -17.993  -9.838
  501   1HB   GLN  62          1HB       GLN  62   0.577 -16.042 -11.795
  502   2HB   GLN  62          2HB       GLN  62   1.319 -17.626 -11.619
  503   1HG   GLN  62          1HG       GLN  62  -0.182 -18.451 -13.009
  504   2HG   GLN  62          2HG       GLN  62  -1.445 -18.066 -11.841
  505   1HE2  GLN  62          1HE2      GLN  62  -0.853 -17.838 -14.935
  506   2HE2  GLN  62          2HE2      GLN  62  -1.581 -16.320 -15.323
  507    H    LYS  63           H        LYS  63   1.719 -18.934  -9.783
  508    HA   LYS  63           HA       LYS  63   2.945 -18.121  -7.369
  509   1HB   LYS  63          1HB       LYS  63   2.915 -20.441  -8.595
  510   2HB   LYS  63          2HB       LYS  63   4.374 -19.832  -9.367
  511   1HG   LYS  63          1HG       LYS  63   5.539 -19.724  -7.341
  512   2HG   LYS  63          2HG       LYS  63   4.060 -19.844  -6.386
  513   1HD   LYS  63          1HD       LYS  63   4.105 -22.075  -6.421
  514   2HD   LYS  63          2HD       LYS  63   4.412 -22.116  -8.159
  515   1HE   LYS  63          1HE       LYS  63   6.787 -21.199  -7.017
  516   2HE   LYS  63          2HE       LYS  63   6.239 -22.498  -5.957
  517   1HZ   LYS  63          1HZ       LYS  63   7.300 -22.637  -8.618
  518   2HZ   LYS  63          2HZ       LYS  63   5.860 -23.508  -8.447
  519   3HZ   LYS  63          3HZ       LYS  63   7.177 -23.846  -7.441
  520    H    GLU  64           H        GLU  64   4.403 -16.592  -7.000
  521    HA   GLU  64           HA       GLU  64   6.096 -15.096  -7.288
  522   1HB   GLU  64          1HB       GLU  64   6.735 -16.270  -9.973
  523   2HB   GLU  64          2HB       GLU  64   7.823 -15.551  -8.794
  524   1HG   GLU  64          1HG       GLU  64   7.230 -17.543  -7.307
  525   2HG   GLU  64          2HG       GLU  64   6.566 -18.268  -8.770
  526    H    SER  65           H        SER  65   4.137 -13.700  -7.558
  527    HA   SER  65           HA       SER  65   3.859 -12.662 -10.290
  528   1HB   SER  65          1HB       SER  65   2.112 -12.081  -7.888
  529   2HB   SER  65          2HB       SER  65   1.773 -11.673  -9.570
  530    HG   SER  65           HG       SER  65   2.276 -14.311  -9.305
  531    H    THR  66           H        THR  66   3.730 -10.327 -10.581
  532    HA   THR  66           HA       THR  66   5.491  -8.910  -8.693
  533    HB   THR  66           HB       THR  66   5.066  -8.445 -11.651
  534    HG1  THR  66           HG1      THR  66   6.374 -10.244 -11.166
  535   1HG2  THR  66          1HG2      THR  66   7.053  -7.089  -9.851
  536   2HG2  THR  66          2HG2      THR  66   5.550  -6.354 -10.407
  537   3HG2  THR  66          3HG2      THR  66   6.795  -6.806 -11.572
  538    H    ILE  67           H        ILE  67   4.022  -7.980  -7.331
  539    HA   ILE  67           HA       ILE  67   1.813  -6.443  -8.477
  540    HB   ILE  67           HB       ILE  67   2.433  -7.077  -5.590
  541   1HG1  ILE  67          1HG1      ILE  67  -0.012  -8.190  -6.688
  542   2HG1  ILE  67          2HG1      ILE  67   1.397  -8.729  -7.596
  543   1HG2  ILE  67          1HG2      ILE  67   0.660  -5.168  -6.787
  544   2HG2  ILE  67          2HG2      ILE  67   0.983  -5.476  -5.081
  545   3HG2  ILE  67          3HG2      ILE  67  -0.266  -6.395  -5.921
  546   1HD1  ILE  67          1HD1      ILE  67   1.274 -10.350  -6.002
  547   2HD1  ILE  67          2HD1      ILE  67   0.646  -9.251  -4.773
  548   3HD1  ILE  67          3HD1      ILE  67   2.355  -9.206  -5.204
  549    H    HIS  68           H        HIS  68   1.759  -4.280  -8.530
  550    HA   HIS  68           HA       HIS  68   4.115  -2.833  -7.616
  551   1HB   HIS  68          1HB       HIS  68   1.815  -1.550  -9.049
  552   2HB   HIS  68          2HB       HIS  68   3.526  -1.142  -9.106
  553    HD1  HIS  68           HD1      HIS  68   2.233  -1.378 -11.756
  554    HD2  HIS  68           HD2      HIS  68   3.799  -4.683  -9.782
  555    HE1  HIS  68           HE1      HIS  68   2.671  -3.087 -13.548
  556    HE2  HIS  68           HE2      HIS  68   3.540  -5.107 -12.321
  557    H    LEU  69           H        LEU  69   3.971  -2.479  -5.459
  558    HA   LEU  69           HA       LEU  69   1.483  -1.567  -4.276
  559   1HB   LEU  69          1HB       LEU  69   2.930  -3.188  -3.101
  560   2HB   LEU  69          2HB       LEU  69   4.197  -1.980  -3.020
  561    HG   LEU  69           HG       LEU  69   2.440  -0.554  -1.749
  562   1HD1  LEU  69          1HD1      LEU  69   0.680  -2.390  -2.370
  563   2HD1  LEU  69          2HD1      LEU  69   0.619  -1.579  -0.806
  564   3HD1  LEU  69          3HD1      LEU  69   1.321  -3.192  -0.935
  565   1HD2  LEU  69          1HD2      LEU  69   4.333  -1.226  -0.568
  566   2HD2  LEU  69          2HD2      LEU  69   3.914  -2.935  -0.682
  567   3HD2  LEU  69          3HD2      LEU  69   2.994  -1.870   0.382
  568    H    VAL  70           H        VAL  70   0.935   0.491  -4.379
  569    HA   VAL  70           HA       VAL  70   3.065   2.522  -4.232
  570    HB   VAL  70           HB       VAL  70   1.569   4.030  -5.490
  571   1HG1  VAL  70          1HG1      VAL  70   2.391   3.326  -7.466
  572   2HG1  VAL  70          2HG1      VAL  70   1.704   1.710  -7.294
  573   3HG1  VAL  70          3HG1      VAL  70   3.209   2.121  -6.472
  574   1HG2  VAL  70          1HG2      VAL  70  -0.589   3.192  -4.999
  575   2HG2  VAL  70          2HG2      VAL  70  -0.182   1.588  -5.610
  576   3HG2  VAL  70          3HG2      VAL  70  -0.345   2.943  -6.727
  577    H    LEU  71           H        LEU  71   2.653   4.404  -3.038
  578    HA   LEU  71           HA       LEU  71   0.976   3.992  -0.739
  579   1HB   LEU  71          1HB       LEU  71   2.818   6.211  -1.597
  580   2HB   LEU  71          2HB       LEU  71   1.835   6.328  -0.151
  581    HG   LEU  71           HG       LEU  71   4.162   5.624   0.308
  582   1HD1  LEU  71          1HD1      LEU  71   3.245   3.267   1.339
  583   2HD1  LEU  71          2HD1      LEU  71   1.752   4.175   1.098
  584   3HD1  LEU  71          3HD1      LEU  71   3.046   4.854   2.085
  585   1HD2  LEU  71          1HD2      LEU  71   5.109   3.690  -0.507
  586   2HD2  LEU  71          2HD2      LEU  71   4.187   4.248  -1.903
  587   3HD2  LEU  71          3HD2      LEU  71   3.550   2.957  -0.883
  588    H    ARG  72           H        ARG  72  -0.740   5.321  -0.052
  589    HA   ARG  72           HA       ARG  72  -2.185   6.590  -2.269
  590   1HB   ARG  72          1HB       ARG  72  -3.376   4.796  -1.117
  591   2HB   ARG  72          2HB       ARG  72  -3.168   5.621   0.421
  592   1HG   ARG  72          1HG       ARG  72  -4.643   7.359  -0.202
  593   2HG   ARG  72          2HG       ARG  72  -4.652   6.839  -1.890
  594   1HD   ARG  72          1HD       ARG  72  -6.667   6.017  -1.100
  595   2HD   ARG  72          2HD       ARG  72  -5.599   4.622  -0.948
  596    HE   ARG  72           HE       ARG  72  -5.452   5.912   1.469
  597   1HH1  ARG  72          1HH1      ARG  72  -8.968   4.088   0.885
  598   2HH1  ARG  72          2HH1      ARG  72  -7.981   4.513  -0.473
  599   1HH2  ARG  72          1HH2      ARG  72  -6.744   5.358   3.267
  600   2HH2  ARG  72          2HH2      ARG  72  -8.265   4.570   3.012
  601    H    LEU  73           H        LEU  73  -3.374   8.575  -1.846
  602    HA   LEU  73           HA       LEU  73  -1.994  10.271   0.123
  603   1HB   LEU  73          1HB       LEU  73  -2.998  10.808  -2.638
  604   2HB   LEU  73          2HB       LEU  73  -2.922  12.126  -1.484
  605    HG   LEU  73           HG       LEU  73  -0.589  12.061  -1.370
  606   1HD1  LEU  73          1HD1      LEU  73  -0.379   9.654  -0.983
  607   2HD1  LEU  73          2HD1      LEU  73   0.784  10.226  -2.179
  608   3HD1  LEU  73          3HD1      LEU  73  -0.660   9.356  -2.698
  609   1HD2  LEU  73          1HD2      LEU  73   0.004  11.545  -3.953
  610   2HD2  LEU  73          2HD2      LEU  73  -0.737  13.043  -3.388
  611   3HD2  LEU  73          3HD2      LEU  73  -1.743  11.758  -4.058
  612    H    ARG  74           H        ARG  74  -5.038   9.211  -1.118
  613    HA   ARG  74           HA       ARG  74  -6.586   9.502   1.049
  614   1HB   ARG  74          1HB       ARG  74  -7.763  11.732   0.640
  615   2HB   ARG  74          2HB       ARG  74  -6.171  11.795   1.382
  616   1HG   ARG  74          1HG       ARG  74  -5.403  12.064  -1.132
  617   2HG   ARG  74          2HG       ARG  74  -7.051  12.669  -1.313
  618   1HD   ARG  74          1HD       ARG  74  -5.931  14.607  -0.801
  619   2HD   ARG  74          2HD       ARG  74  -6.441  14.083   0.803
  620    HE   ARG  74           HE       ARG  74  -3.998  12.963   0.551
  621   1HH1  ARG  74          1HH1      ARG  74  -3.690  16.955   0.534
  622   2HH1  ARG  74          2HH1      ARG  74  -5.187  16.204   0.088
  623   1HH2  ARG  74          1HH2      ARG  74  -2.024  13.942   1.140
  624   2HH2  ARG  74          2HH2      ARG  74  -1.893  15.669   1.132
  625    H    GLY  75           H        GLY  75  -6.403  10.116  -2.392
  626   1HA   GLY  75          1HA       GLY  75  -7.671   8.880  -3.972
  627   2HA   GLY  75          2HA       GLY  75  -8.883   8.589  -2.732
  628    H    GLY  76           H        GLY  76  -9.992   9.275  -4.959
  629   1HA   GLY  76          1HA       GLY  76 -11.167  11.829  -4.418
  630   2HA   GLY  76          2HA       GLY  76 -10.136  11.870  -5.840
  Start of MODEL   14
    1   1H    MET   1          1H        MET   1   4.625 -19.693  -1.395
    2   2H    MET   1          2H        MET   1   3.866 -20.974  -2.248
    3   3H    MET   1          3H        MET   1   2.956 -20.006  -1.161
    4    HA   MET   1           HA       MET   1   3.579 -19.603  -3.886
    5   1HB   MET   1          1HB       MET   1   1.427 -19.456  -2.256
    6   2HB   MET   1          2HB       MET   1   1.865 -17.756  -2.328
    7   1HG   MET   1          1HG       MET   1   1.953 -18.795  -4.956
    8   2HG   MET   1          2HG       MET   1   0.441 -19.311  -4.216
    9   1HE   MET   1          1HE       MET   1  -1.675 -16.263  -3.925
   10   2HE   MET   1          2HE       MET   1  -0.980 -17.268  -2.653
   11   3HE   MET   1          3HE       MET   1  -1.563 -18.009  -4.144
   12    H    GLN   2           H        GLN   2   5.775 -18.814  -3.825
   13    HA   GLN   2           HA       GLN   2   6.479 -16.424  -2.456
   14   1HB   GLN   2          1HB       GLN   2   8.078 -18.198  -3.269
   15   2HB   GLN   2          2HB       GLN   2   7.827 -17.582  -4.897
   16   1HG   GLN   2          1HG       GLN   2   9.865 -16.693  -3.958
   17   2HG   GLN   2          2HG       GLN   2   8.689 -15.403  -4.206
   18   1HE2  GLN   2          1HE2      GLN   2   7.884 -14.305  -2.471
   19   2HE2  GLN   2          2HE2      GLN   2   8.474 -14.505  -0.861
   20    H    LEU   3           H        LEU   3   5.921 -14.412  -2.935
   21    HA   LEU   3           HA       LEU   3   5.351 -13.733  -5.743
   22   1HB   LEU   3          1HB       LEU   3   3.861 -12.666  -3.347
   23   2HB   LEU   3          2HB       LEU   3   3.542 -12.285  -5.028
   24    HG   LEU   3           HG       LEU   3   3.335 -15.112  -4.044
   25   1HD1  LEU   3          1HD1      LEU   3   1.679 -12.891  -3.243
   26   2HD1  LEU   3          2HD1      LEU   3   1.642 -14.572  -2.713
   27   3HD1  LEU   3          3HD1      LEU   3   0.753 -14.083  -4.155
   28   1HD2  LEU   3          1HD2      LEU   3   1.839 -15.353  -5.917
   29   2HD2  LEU   3          2HD2      LEU   3   3.348 -14.629  -6.471
   30   3HD2  LEU   3          3HD2      LEU   3   1.918 -13.622  -6.249
   31    H    PHE   4           H        PHE   4   5.742 -11.534  -6.336
   32    HA   PHE   4           HA       PHE   4   7.727 -10.230  -4.597
   33   1HB   PHE   4          1HB       PHE   4   7.397  -9.794  -7.566
   34   2HB   PHE   4          2HB       PHE   4   8.757  -9.323  -6.551
   35    HD1  PHE   4           HD1      PHE   4  10.351 -11.003  -5.747
   36    HD2  PHE   4           HD2      PHE   4   7.183 -12.019  -8.415
   37    HE1  PHE   4           HE1      PHE   4  11.491 -13.121  -6.286
   38    HE2  PHE   4           HE2      PHE   4   8.317 -14.140  -8.958
   39    HZ   PHE   4           HZ       PHE   4  10.473 -14.692  -7.893
   40    H    VAL   5           H        VAL   5   7.581  -8.058  -4.148
   41    HA   VAL   5           HA       VAL   5   5.261  -6.600  -5.202
   42    HB   VAL   5           HB       VAL   5   5.991  -6.498  -2.279
   43   1HG1  VAL   5          1HG1      VAL   5   4.407  -4.939  -2.107
   44   2HG1  VAL   5          2HG1      VAL   5   3.259  -5.899  -3.042
   45   3HG1  VAL   5          3HG1      VAL   5   4.420  -4.860  -3.869
   46   1HG2  VAL   5          1HG2      VAL   5   5.146  -8.782  -3.237
   47   2HG2  VAL   5          2HG2      VAL   5   3.582  -7.966  -3.254
   48   3HG2  VAL   5          3HG2      VAL   5   4.470  -8.139  -1.740
   49    H    LYS   6           H        LYS   6   5.947  -4.767  -6.075
   50    HA   LYS   6           HA       LYS   6   8.493  -3.623  -5.209
   51   1HB   LYS   6          1HB       LYS   6   8.262  -2.204  -7.243
   52   2HB   LYS   6          2HB       LYS   6   8.276  -3.928  -7.587
   53   1HG   LYS   6          1HG       LYS   6   5.797  -3.865  -7.721
   54   2HG   LYS   6          2HG       LYS   6   5.878  -2.111  -7.534
   55   1HD   LYS   6          1HD       LYS   6   7.129  -3.724  -9.757
   56   2HD   LYS   6          2HD       LYS   6   5.680  -2.725  -9.884
   57   1HE   LYS   6          1HE       LYS   6   8.462  -1.759  -9.235
   58   2HE   LYS   6          2HE       LYS   6   7.623  -1.555 -10.772
   59   1HZ   LYS   6          1HZ       LYS   6   6.915  -0.341  -8.160
   60   2HZ   LYS   6          2HZ       LYS   6   5.896  -0.298  -9.510
   61   3HZ   LYS   6          3HZ       LYS   6   7.409   0.457  -9.568
   62    H    THR   7           H        THR   7   8.699  -1.680  -4.234
   63    HA   THR   7           HA       THR   7   6.238  -0.397  -3.326
   64    HB   THR   7           HB       THR   7   7.561   0.649  -1.633
   65    HG1  THR   7           HG1      THR   7   9.588   1.080  -1.911
   66   1HG2  THR   7          1HG2      THR   7   9.005  -1.329  -0.782
   67   2HG2  THR   7          2HG2      THR   7   8.238  -2.215  -2.101
   68   3HG2  THR   7          3HG2      THR   7   7.249  -1.482  -0.837
   69    H    LEU   8           H        LEU   8   7.332   2.157  -2.793
   70    HA   LEU   8           HA       LEU   8   7.054   3.335  -5.413
   71   1HB   LEU   8          1HB       LEU   8   6.036   4.205  -3.235
   72   2HB   LEU   8          2HB       LEU   8   7.640   4.797  -2.849
   73    HG   LEU   8           HG       LEU   8   7.420   5.942  -5.227
   74   1HD1  LEU   8          1HD1      LEU   8   4.598   5.358  -4.397
   75   2HD1  LEU   8          2HD1      LEU   8   5.359   5.137  -5.972
   76   3HD1  LEU   8          3HD1      LEU   8   5.000   6.761  -5.387
   77   1HD2  LEU   8          1HD2      LEU   8   6.698   6.740  -2.506
   78   2HD2  LEU   8          2HD2      LEU   8   5.990   7.745  -3.771
   79   3HD2  LEU   8          3HD2      LEU   8   7.739   7.536  -3.687
   80    H    THR   9           H        THR   9   9.623   2.384  -3.387
   81    HA   THR   9           HA       THR   9  11.524   4.211  -4.650
   82    HB   THR   9           HB       THR   9  13.098   3.520  -2.996
   83    HG1  THR   9           HG1      THR   9  11.391   1.639  -1.853
   84   1HG2  THR   9          1HG2      THR   9  11.092   4.924  -2.222
   85   2HG2  THR   9          2HG2      THR   9  12.123   4.172  -1.003
   86   3HG2  THR   9          3HG2      THR   9  10.567   3.449  -1.411
   87    H    GLY  10           H        GLY  10  10.126   1.457  -5.555
   88   1HA   GLY  10          1HA       GLY  10  10.740   0.142  -7.391
   89   2HA   GLY  10          2HA       GLY  10  12.395   0.707  -7.214
   90    H    LYS  11           H        LYS  11  12.391   0.048  -4.321
   91    HA   LYS  11           HA       LYS  11  13.713  -2.287  -4.234
   92   1HB   LYS  11          1HB       LYS  11  12.814  -0.612  -2.332
   93   2HB   LYS  11          2HB       LYS  11  11.741  -1.973  -2.040
   94   1HG   LYS  11          1HG       LYS  11  14.222  -3.154  -2.274
   95   2HG   LYS  11          2HG       LYS  11  14.551  -1.652  -1.409
   96   1HD   LYS  11          1HD       LYS  11  13.900  -2.727   0.435
   97   2HD   LYS  11          2HD       LYS  11  12.257  -2.608  -0.201
   98   1HE   LYS  11          1HE       LYS  11  12.344  -4.777  -1.113
   99   2HE   LYS  11          2HE       LYS  11  14.096  -4.867  -0.935
  100   1HZ   LYS  11          1HZ       LYS  11  13.441  -4.553   1.586
  101   2HZ   LYS  11          2HZ       LYS  11  13.473  -6.080   0.858
  102   3HZ   LYS  11          3HZ       LYS  11  12.001  -5.270   1.060
  103    H    THR  12           H        THR  12  13.336  -4.403  -4.497
  104    HA   THR  12           HA       THR  12  10.580  -5.231  -5.060
  105    HB   THR  12           HB       THR  12  12.939  -6.994  -5.571
  106    HG1  THR  12           HG1      THR  12  13.696  -5.186  -6.517
  107   1HG2  THR  12          1HG2      THR  12  10.233  -7.095  -6.235
  108   2HG2  THR  12          2HG2      THR  12  11.527  -8.142  -6.819
  109   3HG2  THR  12          3HG2      THR  12  11.080  -6.699  -7.730
  110    H    LEU  13           H        LEU  13   9.529  -6.072  -3.393
  111    HA   LEU  13           HA       LEU  13  10.997  -7.473  -1.296
  112   1HB   LEU  13          1HB       LEU  13   9.539  -6.135  -0.188
  113   2HB   LEU  13          2HB       LEU  13   8.393  -6.102  -1.512
  114    HG   LEU  13           HG       LEU  13   7.698  -8.430  -0.850
  115   1HD1  LEU  13          1HD1      LEU  13   9.862  -7.999   1.050
  116   2HD1  LEU  13          2HD1      LEU  13   9.092  -9.498   0.528
  117   3HD1  LEU  13          3HD1      LEU  13   8.362  -8.533   1.811
  118   1HD2  LEU  13          1HD2      LEU  13   7.068  -5.916   0.324
  119   2HD2  LEU  13          2HD2      LEU  13   6.975  -7.161   1.569
  120   3HD2  LEU  13          3HD2      LEU  13   6.027  -7.321   0.091
  121    H    THR  14           H        THR  14  10.717  -9.610  -0.790
  122    HA   THR  14           HA       THR  14   9.070 -11.185  -2.658
  123    HB   THR  14           HB       THR  14  11.569 -12.183  -1.298
  124    HG1  THR  14           HG1      THR  14  11.380 -11.176  -3.937
  125   1HG2  THR  14          1HG2      THR  14   9.691 -13.282  -3.266
  126   2HG2  THR  14          2HG2      THR  14  10.745 -14.099  -2.112
  127   3HG2  THR  14          3HG2      THR  14  11.401 -13.501  -3.636
  128    H    VAL  15           H        VAL  15   7.267 -11.540  -1.466
  129    HA   VAL  15           HA       VAL  15   7.622 -12.728   1.207
  130    HB   VAL  15           HB       VAL  15   5.246 -12.059   1.615
  131   1HG1  VAL  15          1HG1      VAL  15   7.586 -10.503   1.684
  132   2HG1  VAL  15          2HG1      VAL  15   6.123 -10.301   2.648
  133   3HG1  VAL  15          3HG1      VAL  15   6.296  -9.441   1.118
  134   1HG2  VAL  15          1HG2      VAL  15   4.743 -11.868  -0.870
  135   2HG2  VAL  15          2HG2      VAL  15   5.537 -10.295  -0.802
  136   3HG2  VAL  15          3HG2      VAL  15   4.096 -10.598   0.170
  137    H    GLU  16           H        GLU  16   6.095 -14.406   1.822
  138    HA   GLU  16           HA       GLU  16   5.081 -15.928  -0.487
  139   1HB   GLU  16          1HB       GLU  16   5.658 -17.998   0.731
  140   2HB   GLU  16          2HB       GLU  16   7.073 -17.022   0.364
  141   1HG   GLU  16          1HG       GLU  16   5.843 -16.507   2.981
  142   2HG   GLU  16          2HG       GLU  16   6.550 -18.110   2.775
  143    H    LEU  17           H        LEU  17   2.988 -16.401  -0.415
  144    HA   LEU  17           HA       LEU  17   1.651 -16.659   2.176
  145   1HB   LEU  17          1HB       LEU  17   0.933 -14.727  -0.004
  146   2HB   LEU  17          2HB       LEU  17  -0.293 -15.338   1.090
  147    HG   LEU  17           HG       LEU  17   2.171 -14.133   2.261
  148   1HD1  LEU  17          1HD1      LEU  17   1.624 -11.962   1.841
  149   2HD1  LEU  17          2HD1      LEU  17  -0.088 -12.321   1.615
  150   3HD1  LEU  17          3HD1      LEU  17   1.067 -12.697   0.337
  151   1HD2  LEU  17          1HD2      LEU  17  -0.735 -14.053   3.054
  152   2HD2  LEU  17          2HD2      LEU  17   0.630 -13.469   4.004
  153   3HD2  LEU  17          3HD2      LEU  17   0.460 -15.192   3.674
  154    H    GLU  18           H        GLU  18  -0.881 -17.097   1.480
  155    HA   GLU  18           HA       GLU  18  -0.730 -19.346  -0.419
  156   1HB   GLU  18          1HB       GLU  18  -2.402 -19.044   2.078
  157   2HB   GLU  18          2HB       GLU  18  -2.581 -20.357   0.923
  158   1HG   GLU  18          1HG       GLU  18   0.133 -19.917   1.981
  159   2HG   GLU  18          2HG       GLU  18  -1.068 -20.509   3.126
  160    HA   PRO  19           HA       PRO  19  -3.882 -17.542  -2.896
  161   1HB   PRO  19          1HB       PRO  19  -5.369 -19.743  -3.562
  162   2HB   PRO  19          2HB       PRO  19  -3.810 -19.350  -4.295
  163   1HG   PRO  19          1HG       PRO  19  -4.436 -21.272  -2.088
  164   2HG   PRO  19          2HG       PRO  19  -3.337 -21.469  -3.466
  165   1HD   PRO  19          1HD       PRO  19  -2.434 -20.868  -1.004
  166   2HD   PRO  19          2HD       PRO  19  -1.661 -20.223  -2.467
  167    H    SER  20           H        SER  20  -4.708 -19.359  -0.074
  168    HA   SER  20           HA       SER  20  -7.516 -18.692  -0.148
  169   1HB   SER  20          1HB       SER  20  -7.741 -19.996   1.781
  170   2HB   SER  20          2HB       SER  20  -6.399 -20.774   0.943
  171    HG   SER  20           HG       SER  20  -5.995 -20.403   3.189
  172    H    ASP  21           H        ASP  21  -4.606 -17.298   1.059
  173    HA   ASP  21           HA       ASP  21  -5.552 -15.748   3.172
  174   1HB   ASP  21          1HB       ASP  21  -3.369 -15.110   1.176
  175   2HB   ASP  21          2HB       ASP  21  -3.623 -14.257   2.695
  176    H    THR  22           H        THR  22  -5.523 -13.225   3.003
  177    HA   THR  22           HA       THR  22  -7.102 -12.390   0.666
  178    HB   THR  22           HB       THR  22  -8.576 -11.092   2.123
  179    HG1  THR  22           HG1      THR  22  -6.691 -11.380   3.885
  180   1HG2  THR  22          1HG2      THR  22  -9.660 -12.948   3.418
  181   2HG2  THR  22          2HG2      THR  22  -8.358 -13.995   2.854
  182   3HG2  THR  22          3HG2      THR  22  -9.449 -13.240   1.691
  183    H    VAL  23           H        VAL  23  -7.240  -9.971   0.488
  184    HA   VAL  23           HA       VAL  23  -4.809  -8.793   0.157
  185    HB   VAL  23           HB       VAL  23  -7.352  -7.364   0.952
  186   1HG1  VAL  23          1HG1      VAL  23  -6.017  -5.571   1.046
  187   2HG1  VAL  23          2HG1      VAL  23  -5.955  -5.695  -0.711
  188   3HG1  VAL  23          3HG1      VAL  23  -4.677  -6.412   0.268
  189   1HG2  VAL  23          1HG2      VAL  23  -6.516  -8.725  -1.475
  190   2HG2  VAL  23          2HG2      VAL  23  -6.947  -7.039  -1.760
  191   3HG2  VAL  23          3HG2      VAL  23  -8.108  -8.130  -1.003
  192    H    GLU  24           H        GLU  24  -6.820  -8.682   3.073
  193    HA   GLU  24           HA       GLU  24  -5.358  -6.910   4.607
  194   1HB   GLU  24          1HB       GLU  24  -7.208  -9.143   5.155
  195   2HB   GLU  24          2HB       GLU  24  -6.141  -8.714   6.486
  196   1HG   GLU  24          1HG       GLU  24  -7.027  -6.269   5.689
  197   2HG   GLU  24          2HG       GLU  24  -8.434  -7.283   5.369
  198    H    ASN  25           H        ASN  25  -4.962 -10.446   4.430
  199    HA   ASN  25           HA       ASN  25  -2.820 -10.714   6.162
  200   1HB   ASN  25          1HB       ASN  25  -3.262 -12.288   3.616
  201   2HB   ASN  25          2HB       ASN  25  -2.313 -12.800   5.008
  202   1HD2  ASN  25          1HD2      ASN  25  -4.139 -11.779   6.969
  203   2HD2  ASN  25          2HD2      ASN  25  -5.519 -12.818   6.962
  204    H    LEU  26           H        LEU  26  -2.729 -10.200   2.639
  205    HA   LEU  26           HA       LEU  26   0.021 -10.136   2.298
  206   1HB   LEU  26          1HB       LEU  26  -1.702 -10.104   0.488
  207   2HB   LEU  26          2HB       LEU  26  -1.980  -8.409   0.842
  208    HG   LEU  26           HG       LEU  26   0.393  -7.940   0.258
  209   1HD1  LEU  26          1HD1      LEU  26   1.687  -9.788   0.447
  210   2HD1  LEU  26          2HD1      LEU  26   1.284  -9.944  -1.263
  211   3HD1  LEU  26          3HD1      LEU  26   0.398 -10.880  -0.060
  212   1HD2  LEU  26          1HD2      LEU  26  -0.298  -7.500  -1.810
  213   2HD2  LEU  26          2HD2      LEU  26  -1.780  -8.365  -1.407
  214   3HD2  LEU  26          3HD2      LEU  26  -0.452  -9.212  -2.201
  215    H    LYS  27           H        LYS  27  -2.078  -7.260   2.570
  216    HA   LYS  27           HA       LYS  27  -0.107  -5.355   2.839
  217   1HB   LYS  27          1HB       LYS  27  -2.735  -5.308   4.329
  218   2HB   LYS  27          2HB       LYS  27  -1.768  -3.924   3.839
  219   1HG   LYS  27          1HG       LYS  27  -2.150  -4.757   1.442
  220   2HG   LYS  27          2HG       LYS  27  -3.432  -5.747   2.144
  221   1HD   LYS  27          1HD       LYS  27  -4.651  -3.867   2.847
  222   2HD   LYS  27          2HD       LYS  27  -3.267  -2.790   2.644
  223   1HE   LYS  27          1HE       LYS  27  -3.467  -2.766   0.327
  224   2HE   LYS  27          2HE       LYS  27  -4.422  -4.248   0.298
  225   1HZ   LYS  27          1HZ       LYS  27  -5.274  -1.508   0.933
  226   2HZ   LYS  27          2HZ       LYS  27  -6.116  -2.811   1.602
  227   3HZ   LYS  27          3HZ       LYS  27  -6.005  -2.651  -0.077
  228    H    ALA  28           H        ALA  28  -1.632  -7.308   5.373
  229    HA   ALA  28           HA       ALA  28  -0.593  -6.223   7.648
  230   1HB   ALA  28          1HB       ALA  28  -1.282  -8.106   8.670
  231   2HB   ALA  28          2HB       ALA  28  -0.389  -9.154   7.568
  232   3HB   ALA  28          3HB       ALA  28  -1.953  -8.497   7.087
  233    H    LYS  29           H        LYS  29   1.008  -8.693   5.637
  234    HA   LYS  29           HA       LYS  29   3.410  -8.772   7.082
  235   1HB   LYS  29          1HB       LYS  29   2.556  -9.584   4.347
  236   2HB   LYS  29          2HB       LYS  29   4.283  -9.476   4.664
  237   1HG   LYS  29          1HG       LYS  29   4.274 -11.416   5.733
  238   2HG   LYS  29          2HG       LYS  29   2.955 -10.894   6.784
  239   1HD   LYS  29          1HD       LYS  29   1.346 -11.482   5.010
  240   2HD   LYS  29          2HD       LYS  29   2.683 -12.068   4.018
  241   1HE   LYS  29          1HE       LYS  29   2.526 -14.047   5.007
  242   2HE   LYS  29          2HE       LYS  29   2.928 -13.292   6.549
  243   1HZ   LYS  29          1HZ       LYS  29   0.253 -12.745   6.056
  244   2HZ   LYS  29          2HZ       LYS  29   0.895 -13.780   7.230
  245   3HZ   LYS  29          3HZ       LYS  29   0.470 -14.387   5.710
  246    H    ILE  30           H        ILE  30   2.361  -6.753   4.386
  247    HA   ILE  30           HA       ILE  30   4.781  -5.528   3.758
  248    HB   ILE  30           HB       ILE  30   2.031  -4.279   3.690
  249   1HG1  ILE  30          1HG1      ILE  30   3.551  -6.009   1.748
  250   2HG1  ILE  30          2HG1      ILE  30   1.913  -6.225   2.358
  251   1HG2  ILE  30          1HG2      ILE  30   4.341  -2.942   3.431
  252   2HG2  ILE  30          2HG2      ILE  30   2.874  -2.521   2.547
  253   3HG2  ILE  30          3HG2      ILE  30   4.127  -3.487   1.767
  254   1HD1  ILE  30          1HD1      ILE  30   1.875  -3.764   1.067
  255   2HD1  ILE  30          2HD1      ILE  30   1.194  -5.285   0.492
  256   3HD1  ILE  30          3HD1      ILE  30   2.830  -4.819   0.027
  257    H    GLN  31           H        GLN  31   2.596  -5.005   6.420
  258    HA   GLN  31           HA       GLN  31   3.888  -2.543   7.240
  259   1HB   GLN  31          1HB       GLN  31   1.507  -2.729   7.607
  260   2HB   GLN  31          2HB       GLN  31   1.722  -4.217   8.518
  261   1HG   GLN  31          1HG       GLN  31   2.851  -3.023  10.283
  262   2HG   GLN  31          2HG       GLN  31   2.778  -1.526   9.354
  263   1HE2  GLN  31          1HE2      GLN  31   1.737  -0.743  11.331
  264   2HE2  GLN  31          2HE2      GLN  31   0.033  -0.964  11.511
  265    H    ASP  32           H        ASP  32   4.210  -5.914   7.792
  266    HA   ASP  32           HA       ASP  32   5.662  -5.577  10.287
  267   1HB   ASP  32          1HB       ASP  32   4.195  -7.673   9.113
  268   2HB   ASP  32          2HB       ASP  32   5.860  -8.225   9.226
  269    H    LYS  33           H        LYS  33   6.310  -5.596   6.968
  270    HA   LYS  33           HA       LYS  33   9.161  -6.154   7.468
  271   1HB   LYS  33          1HB       LYS  33   7.436  -6.662   5.057
  272   2HB   LYS  33          2HB       LYS  33   9.185  -6.551   4.916
  273   1HG   LYS  33          1HG       LYS  33   8.309  -8.343   7.041
  274   2HG   LYS  33          2HG       LYS  33   7.764  -8.827   5.434
  275   1HD   LYS  33          1HD       LYS  33  10.380  -8.123   4.994
  276   2HD   LYS  33          2HD       LYS  33  10.443  -8.856   6.598
  277   1HE   LYS  33          1HE       LYS  33  10.587 -10.794   5.481
  278   2HE   LYS  33          2HE       LYS  33   8.847 -10.608   5.262
  279   1HZ   LYS  33          1HZ       LYS  33  10.959 -10.454   3.323
  280   2HZ   LYS  33          2HZ       LYS  33   9.886  -9.150   3.231
  281   3HZ   LYS  33          3HZ       LYS  33   9.304 -10.732   3.100
  282    H    GLU  34           H        GLU  34   7.068  -4.329   5.225
  283    HA   GLU  34           HA       GLU  34   9.166  -2.339   4.884
  284   1HB   GLU  34          1HB       GLU  34   6.530  -2.850   3.532
  285   2HB   GLU  34          2HB       GLU  34   7.398  -1.342   3.289
  286   1HG   GLU  34          1HG       GLU  34   8.490  -4.087   2.717
  287   2HG   GLU  34          2HG       GLU  34   7.830  -2.978   1.517
  288    H    GLY  35           H        GLY  35   6.657  -2.858   7.001
  289   1HA   GLY  35          1HA       GLY  35   5.583  -1.539   8.534
  290   2HA   GLY  35          2HA       GLY  35   6.914  -0.415   8.311
  291    H    ILE  36           H        ILE  36   4.718  -1.375   5.751
  292    HA   ILE  36           HA       ILE  36   3.883   1.418   5.494
  293    HB   ILE  36           HB       ILE  36   3.393  -0.865   3.580
  294   1HG1  ILE  36          1HG1      ILE  36   5.524   1.281   3.470
  295   2HG1  ILE  36          2HG1      ILE  36   5.811  -0.397   3.922
  296   1HG2  ILE  36          1HG2      ILE  36   3.319   1.357   2.077
  297   2HG2  ILE  36          2HG2      ILE  36   2.722   2.009   3.604
  298   3HG2  ILE  36          3HG2      ILE  36   1.893   0.653   2.839
  299   1HD1  ILE  36          1HD1      ILE  36   4.617  -0.753   1.544
  300   2HD1  ILE  36          2HD1      ILE  36   6.361  -0.585   1.755
  301   3HD1  ILE  36          3HD1      ILE  36   5.391   0.808   1.276
  302    HA   PRO  37           HA       PRO  37   0.012   0.418   7.482
  303   1HB   PRO  37          1HB       PRO  37  -0.844   2.983   6.287
  304   2HB   PRO  37          2HB       PRO  37  -0.822   2.484   7.980
  305   1HG   PRO  37          1HG       PRO  37   0.944   4.257   7.033
  306   2HG   PRO  37          2HG       PRO  37   1.403   3.059   8.257
  307   1HD   PRO  37          1HD       PRO  37   1.940   3.062   5.311
  308   2HD   PRO  37          2HD       PRO  37   3.005   2.587   6.651
  309    HA   PRO  38           HA       PRO  38  -2.235  -1.276   4.042
  310   1HB   PRO  38          1HB       PRO  38  -4.529  -1.883   5.386
  311   2HB   PRO  38          2HB       PRO  38  -3.060  -2.860   5.477
  312   1HG   PRO  38          1HG       PRO  38  -4.089  -0.798   7.389
  313   2HG   PRO  38          2HG       PRO  38  -3.361  -2.379   7.731
  314   1HD   PRO  38          1HD       PRO  38  -1.966  -0.080   7.949
  315   2HD   PRO  38          2HD       PRO  38  -1.208  -1.595   7.417
  316    H    ASP  39           H        ASP  39  -3.445   1.302   6.066
  317    HA   ASP  39           HA       ASP  39  -5.744   1.943   4.541
  318   1HB   ASP  39          1HB       ASP  39  -4.836   2.739   6.949
  319   2HB   ASP  39          2HB       ASP  39  -4.342   4.125   5.982
  320    H    GLN  40           H        GLN  40  -2.387   2.523   4.091
  321    HA   GLN  40           HA       GLN  40  -2.986   4.387   1.888
  322   1HB   GLN  40          1HB       GLN  40  -0.281   4.144   3.175
  323   2HB   GLN  40          2HB       GLN  40  -0.935   5.475   2.230
  324   1HG   GLN  40          1HG       GLN  40  -2.662   5.482   4.283
  325   2HG   GLN  40          2HG       GLN  40  -1.227   4.856   5.093
  326   1HE2  GLN  40          1HE2      GLN  40  -0.340   6.463   6.176
  327   2HE2  GLN  40          2HE2      GLN  40  -0.034   8.052   5.568
  328    H    GLN  41           H        GLN  41  -2.701   1.313   2.182
  329    HA   GLN  41           HA       GLN  41  -0.512   0.794   0.334
  330   1HB   GLN  41          1HB       GLN  41  -2.261  -0.858   2.081
  331   2HB   GLN  41          2HB       GLN  41  -1.613  -1.622   0.635
  332   1HG   GLN  41          1HG       GLN  41   0.663  -0.924   1.382
  333   2HG   GLN  41          2HG       GLN  41  -0.065  -0.384   2.894
  334   1HE2  GLN  41          1HE2      GLN  41   0.028  -1.785   4.483
  335   2HE2  GLN  41          2HE2      GLN  41   0.102  -3.505   4.329
  336    H    ARG  42           H        ARG  42  -0.821   0.931  -1.782
  337    HA   ARG  42           HA       ARG  42  -3.497   0.313  -2.852
  338   1HB   ARG  42          1HB       ARG  42  -1.642   2.523  -3.366
  339   2HB   ARG  42          2HB       ARG  42  -2.237   1.752  -4.830
  340   1HG   ARG  42          1HG       ARG  42  -4.538   2.120  -4.088
  341   2HG   ARG  42          2HG       ARG  42  -3.936   2.901  -2.624
  342   1HD   ARG  42          1HD       ARG  42  -3.411   4.810  -3.701
  343   2HD   ARG  42          2HD       ARG  42  -2.873   3.966  -5.152
  344    HE   ARG  42           HE       ARG  42  -4.951   4.276  -6.045
  345   1HH1  ARG  42          1HH1      ARG  42  -6.787   5.236  -2.620
  346   2HH1  ARG  42          2HH1      ARG  42  -5.140   4.702  -2.593
  347   1HH2  ARG  42          1HH2      ARG  42  -7.121   4.979  -6.090
  348   2HH2  ARG  42          2HH2      ARG  42  -7.914   5.394  -4.607
  349    H    LEU  43           H        LEU  43  -3.385  -1.737  -3.550
  350    HA   LEU  43           HA       LEU  43  -0.983  -2.715  -4.869
  351   1HB   LEU  43          1HB       LEU  43  -3.572  -4.089  -4.149
  352   2HB   LEU  43          2HB       LEU  43  -2.201  -4.884  -4.899
  353    HG   LEU  43           HG       LEU  43  -2.033  -3.513  -2.220
  354   1HD1  LEU  43          1HD1      LEU  43  -2.739  -5.358  -1.139
  355   2HD1  LEU  43          2HD1      LEU  43  -2.070  -6.454  -2.347
  356   3HD1  LEU  43          3HD1      LEU  43  -3.613  -5.654  -2.641
  357   1HD2  LEU  43          1HD2      LEU  43  -0.274  -5.691  -3.296
  358   2HD2  LEU  43          2HD2      LEU  43   0.045  -4.551  -1.989
  359   3HD2  LEU  43          3HD2      LEU  43   0.034  -3.994  -3.662
  360    H    ILE  44           H        ILE  44  -0.723  -2.432  -6.974
  361    HA   ILE  44           HA       ILE  44  -3.112  -2.373  -8.699
  362    HB   ILE  44           HB       ILE  44  -0.442  -1.156  -9.379
  363   1HG1  ILE  44          1HG1      ILE  44  -1.270  -0.032  -7.387
  364   2HG1  ILE  44          2HG1      ILE  44  -1.456   1.027  -8.782
  365   1HG2  ILE  44          1HG2      ILE  44  -2.614   0.136 -10.633
  366   2HG2  ILE  44          2HG2      ILE  44  -2.866  -1.600 -10.812
  367   3HG2  ILE  44          3HG2      ILE  44  -1.365  -0.865 -11.373
  368   1HD1  ILE  44          1HD1      ILE  44  -3.667  -0.656  -7.638
  369   2HD1  ILE  44          2HD1      ILE  44  -3.799   0.586  -8.884
  370   3HD1  ILE  44          3HD1      ILE  44  -3.384   1.036  -7.230
  371    H    PHE  45           H        PHE  45  -3.163  -4.597  -9.091
  372    HA   PHE  45           HA       PHE  45  -0.816  -5.768 -10.406
  373   1HB   PHE  45          1HB       PHE  45  -1.812  -6.988  -8.482
  374   2HB   PHE  45          2HB       PHE  45  -3.311  -7.145  -9.391
  375    HD1  PHE  45           HD1      PHE  45   0.172  -7.507 -10.627
  376    HD2  PHE  45           HD2      PHE  45  -3.514  -9.443  -9.701
  377    HE1  PHE  45           HE1      PHE  45   1.011  -9.587 -11.652
  378    HE2  PHE  45           HE2      PHE  45  -2.681 -11.526 -10.723
  379    HZ   PHE  45           HZ       PHE  45  -0.416 -11.599 -11.698
  380    H    ALA  46           H        ALA  46  -0.849  -5.321 -12.526
  381    HA   ALA  46           HA       ALA  46  -1.490  -5.347 -14.710
  382   1HB   ALA  46          1HB       ALA  46  -2.661  -7.152 -15.426
  383   2HB   ALA  46          2HB       ALA  46  -3.922  -6.956 -14.210
  384   3HB   ALA  46          3HB       ALA  46  -2.377  -7.683 -13.769
  385    H    GLY  47           H        GLY  47  -2.372  -3.223 -13.063
  386   1HA   GLY  47          1HA       GLY  47  -3.654  -1.332 -13.465
  387   2HA   GLY  47          2HA       GLY  47  -4.506  -2.216 -14.722
  388    H    LYS  48           H        LYS  48  -4.552  -4.145 -12.063
  389    HA   LYS  48           HA       LYS  48  -7.262  -3.267 -11.386
  390   1HB   LYS  48          1HB       LYS  48  -5.865  -5.849 -11.470
  391   2HB   LYS  48          2HB       LYS  48  -6.885  -5.633 -10.054
  392   1HG   LYS  48          1HG       LYS  48  -8.820  -5.524 -11.293
  393   2HG   LYS  48          2HG       LYS  48  -7.978  -5.017 -12.759
  394   1HD   LYS  48          1HD       LYS  48  -6.860  -7.436 -12.400
  395   2HD   LYS  48          2HD       LYS  48  -8.441  -7.725 -11.670
  396   1HE   LYS  48          1HE       LYS  48  -9.562  -7.424 -13.648
  397   2HE   LYS  48          2HE       LYS  48  -8.325  -6.358 -14.311
  398   1HZ   LYS  48          1HZ       LYS  48  -8.630  -9.147 -14.650
  399   2HZ   LYS  48          2HZ       LYS  48  -7.124  -8.826 -13.949
  400   3HZ   LYS  48          3HZ       LYS  48  -7.547  -8.096 -15.415
  401    H    GLN  49           H        GLN  49  -7.915  -2.855  -9.287
  402    HA   GLN  49           HA       GLN  49  -5.724  -2.343  -7.395
  403   1HB   GLN  49          1HB       GLN  49  -7.932  -0.770  -8.249
  404   2HB   GLN  49          2HB       GLN  49  -8.179  -1.150  -6.549
  405   1HG   GLN  49          1HG       GLN  49  -6.275  -0.032  -5.884
  406   2HG   GLN  49          2HG       GLN  49  -5.528  -0.142  -7.477
  407   1HE2  GLN  49          1HE2      GLN  49  -6.868   1.931  -5.363
  408   2HE2  GLN  49          2HE2      GLN  49  -7.425   3.157  -6.444
  409    H    LEU  50           H        LEU  50  -5.498  -4.073  -6.108
  410    HA   LEU  50           HA       LEU  50  -7.435  -5.935  -5.421
  411   1HB   LEU  50          1HB       LEU  50  -5.119  -5.111  -3.673
  412   2HB   LEU  50          2HB       LEU  50  -5.948  -6.656  -3.668
  413    HG   LEU  50           HG       LEU  50  -3.927  -5.599  -5.586
  414   1HD1  LEU  50          1HD1      LEU  50  -4.072  -8.453  -5.100
  415   2HD1  LEU  50          2HD1      LEU  50  -3.954  -7.525  -3.605
  416   3HD1  LEU  50          3HD1      LEU  50  -2.732  -7.331  -4.863
  417   1HD2  LEU  50          1HD2      LEU  50  -4.673  -7.590  -7.069
  418   2HD2  LEU  50          2HD2      LEU  50  -5.524  -6.050  -7.200
  419   3HD2  LEU  50          3HD2      LEU  50  -6.233  -7.374  -6.275
  420    H    GLU  51           H        GLU  51  -9.229  -5.762  -4.264
  421    HA   GLU  51           HA       GLU  51  -9.562  -3.494  -2.459
  422   1HB   GLU  51          1HB       GLU  51 -11.554  -5.540  -3.453
  423   2HB   GLU  51          2HB       GLU  51 -11.946  -4.165  -2.428
  424   1HG   GLU  51          1HG       GLU  51 -10.705  -3.891  -5.151
  425   2HG   GLU  51          2HG       GLU  51 -12.446  -3.889  -4.870
  426    H    ASP  52           H        ASP  52  -9.450  -3.664  -0.318
  427    HA   ASP  52           HA       ASP  52  -8.589  -5.957   0.998
  428   1HB   ASP  52          1HB       ASP  52  -8.213  -3.911   2.103
  429   2HB   ASP  52          2HB       ASP  52  -9.903  -3.432   1.974
  430    H    GLY  53           H        GLY  53  -9.790  -7.780   0.650
  431   1HA   GLY  53          1HA       GLY  53 -11.730  -8.624   2.292
  432   2HA   GLY  53          2HA       GLY  53 -12.662  -7.745   1.089
  433    H    ARG  54           H        ARG  54 -10.536  -8.582  -0.937
  434    HA   ARG  54           HA       ARG  54 -11.825 -11.101  -1.623
  435   1HB   ARG  54          1HB       ARG  54 -10.300  -9.021  -3.094
  436   2HB   ARG  54          2HB       ARG  54 -10.192 -10.666  -3.706
  437   1HG   ARG  54          1HG       ARG  54 -12.014  -9.083  -4.626
  438   2HG   ARG  54          2HG       ARG  54 -12.434 -10.754  -4.246
  439   1HD   ARG  54          1HD       ARG  54 -13.664 -10.174  -2.403
  440   2HD   ARG  54          2HD       ARG  54 -12.743  -8.697  -2.121
  441    HE   ARG  54           HE       ARG  54 -14.245  -7.574  -3.420
  442   1HH1  ARG  54          1HH1      ARG  54 -15.863 -10.797  -5.158
  443   2HH1  ARG  54          2HH1      ARG  54 -14.489 -10.977  -4.120
  444   1HH2  ARG  54          1HH2      ARG  54 -16.057  -7.326  -4.783
  445   2HH2  ARG  54          2HH2      ARG  54 -16.754  -8.722  -5.536
  446    H    THR  55           H        THR  55 -10.532 -12.910  -2.432
  447    HA   THR  55           HA       THR  55  -8.188 -13.318  -0.739
  448    HB   THR  55           HB       THR  55  -8.443 -15.699  -1.335
  449    HG1  THR  55           HG1      THR  55  -9.517 -16.167  -3.053
  450   1HG2  THR  55          1HG2      THR  55 -10.968 -15.877  -0.564
  451   2HG2  THR  55          2HG2      THR  55 -10.688 -14.187  -0.144
  452   3HG2  THR  55          3HG2      THR  55  -9.670 -15.449   0.549
  453    H    LEU  56           H        LEU  56  -6.175 -13.893  -1.520
  454    HA   LEU  56           HA       LEU  56  -5.134 -12.716  -3.715
  455   1HB   LEU  56          1HB       LEU  56  -4.276 -15.440  -2.739
  456   2HB   LEU  56          2HB       LEU  56  -3.294 -14.298  -3.636
  457    HG   LEU  56           HG       LEU  56  -4.102 -14.244  -0.762
  458   1HD1  LEU  56          1HD1      LEU  56  -1.541 -13.675  -2.246
  459   2HD1  LEU  56          2HD1      LEU  56  -1.932 -15.142  -1.349
  460   3HD1  LEU  56          3HD1      LEU  56  -1.741 -13.611  -0.495
  461   1HD2  LEU  56          1HD2      LEU  56  -3.622 -11.864  -2.518
  462   2HD2  LEU  56          2HD2      LEU  56  -3.202 -11.833  -0.805
  463   3HD2  LEU  56          3HD2      LEU  56  -4.872 -12.116  -1.300
  464    H    SER  57           H        SER  57  -6.598 -15.939  -3.624
  465    HA   SER  57           HA       SER  57  -6.064 -16.644  -6.293
  466   1HB   SER  57          1HB       SER  57  -6.733 -18.487  -5.097
  467   2HB   SER  57          2HB       SER  57  -7.938 -17.585  -4.178
  468    HG   SER  57           HG       SER  57  -9.371 -18.183  -5.579
  469    H    ASP  58           H        ASP  58  -8.816 -14.996  -4.800
  470    HA   ASP  58           HA       ASP  58 -10.572 -14.897  -6.917
  471   1HB   ASP  58          1HB       ASP  58  -9.987 -12.799  -4.822
  472   2HB   ASP  58          2HB       ASP  58 -11.357 -12.719  -5.925
  473    H    TYR  59           H        TYR  59  -7.671 -12.998  -6.386
  474    HA   TYR  59           HA       TYR  59  -8.192 -11.422  -8.793
  475   1HB   TYR  59          1HB       TYR  59  -6.033 -11.210  -6.687
  476   2HB   TYR  59          2HB       TYR  59  -6.145 -10.163  -8.098
  477    HD1  TYR  59           HD1      TYR  59  -6.580 -10.017  -4.787
  478    HD2  TYR  59           HD2      TYR  59  -8.907  -9.446  -8.313
  479    HE1  TYR  59           HE1      TYR  59  -8.086  -8.515  -3.543
  480    HE2  TYR  59           HE2      TYR  59 -10.418  -7.941  -7.079
  481    HH   TYR  59           HH       TYR  59 -11.058  -7.312  -4.948
  482    H    ASN  60           H        ASN  60  -7.511 -14.314  -8.812
  483    HA   ASN  60           HA       ASN  60  -6.047 -15.794  -9.781
  484   1HB   ASN  60          1HB       ASN  60  -5.579 -15.265 -12.111
  485   2HB   ASN  60          2HB       ASN  60  -7.215 -14.756 -11.700
  486   1HD2  ASN  60          1HD2      ASN  60  -7.587 -12.505 -11.308
  487   2HD2  ASN  60          2HD2      ASN  60  -6.586 -11.319 -12.066
  488    H    LEU  61           H        LEU  61  -4.441 -15.515  -8.081
  489    HA   LEU  61           HA       LEU  61  -2.086 -13.969  -8.919
  490   1HB   LEU  61          1HB       LEU  61  -3.249 -14.698  -6.310
  491   2HB   LEU  61          2HB       LEU  61  -1.502 -14.799  -6.399
  492    HG   LEU  61           HG       LEU  61  -3.245 -12.376  -6.767
  493   1HD1  LEU  61          1HD1      LEU  61  -1.015 -13.143  -4.903
  494   2HD1  LEU  61          2HD1      LEU  61  -2.686 -12.744  -4.503
  495   3HD1  LEU  61          3HD1      LEU  61  -1.592 -11.486  -5.078
  496   1HD2  LEU  61          1HD2      LEU  61  -0.705 -12.975  -8.043
  497   2HD2  LEU  61          2HD2      LEU  61  -0.646 -11.515  -7.055
  498   3HD2  LEU  61          3HD2      LEU  61  -1.842 -11.661  -8.344
  499    H    GLN  62           H        GLN  62  -0.698 -15.153 -10.055
  500    HA   GLN  62           HA       GLN  62  -0.455 -18.011  -9.573
  501   1HB   GLN  62          1HB       GLN  62   0.598 -16.152 -11.691
  502   2HB   GLN  62          2HB       GLN  62   1.203 -17.796 -11.536
  503   1HG   GLN  62          1HG       GLN  62  -0.787 -18.738 -12.195
  504   2HG   GLN  62          2HG       GLN  62  -1.734 -17.329 -11.721
  505   1HE2  GLN  62          1HE2      GLN  62  -0.632 -15.280 -12.977
  506   2HE2  GLN  62          2HE2      GLN  62  -0.654 -15.492 -14.691
  507    H    LYS  63           H        LYS  63   1.985 -18.774  -9.905
  508    HA   LYS  63           HA       LYS  63   3.373 -17.808  -7.581
  509   1HB   LYS  63          1HB       LYS  63   3.224 -20.237  -8.706
  510   2HB   LYS  63          2HB       LYS  63   4.712 -19.680  -9.458
  511   1HG   LYS  63          1HG       LYS  63   5.398 -19.063  -7.030
  512   2HG   LYS  63          2HG       LYS  63   4.126 -20.201  -6.580
  513   1HD   LYS  63          1HD       LYS  63   5.203 -21.954  -7.868
  514   2HD   LYS  63          2HD       LYS  63   6.445 -20.822  -8.407
  515   1HE   LYS  63          1HE       LYS  63   6.784 -20.480  -5.821
  516   2HE   LYS  63          2HE       LYS  63   6.041 -22.077  -5.735
  517   1HZ   LYS  63          1HZ       LYS  63   8.688 -21.385  -6.450
  518   2HZ   LYS  63          2HZ       LYS  63   7.953 -22.216  -7.726
  519   3HZ   LYS  63          3HZ       LYS  63   8.023 -22.919  -6.190
  520    H    GLU  64           H        GLU  64   5.322 -16.737  -7.483
  521    HA   GLU  64           HA       GLU  64   6.942 -15.268  -8.104
  522   1HB   GLU  64          1HB       GLU  64   6.937 -17.344 -10.140
  523   2HB   GLU  64          2HB       GLU  64   7.489 -15.803 -10.781
  524   1HG   GLU  64          1HG       GLU  64   9.479 -16.159  -9.897
  525   2HG   GLU  64          2HG       GLU  64   8.758 -16.166  -8.288
  526    H    SER  65           H        SER  65   4.500 -14.170  -8.159
  527    HA   SER  65           HA       SER  65   4.237 -12.754 -10.711
  528   1HB   SER  65          1HB       SER  65   2.377 -12.796  -8.320
  529   2HB   SER  65          2HB       SER  65   2.054 -12.012  -9.866
  530    HG   SER  65           HG       SER  65   1.986 -14.002 -10.848
  531    H    THR  66           H        THR  66   4.229 -10.495 -10.831
  532    HA   THR  66           HA       THR  66   5.531  -9.162  -8.551
  533    HB   THR  66           HB       THR  66   5.738  -8.738 -11.520
  534    HG1  THR  66           HG1      THR  66   7.816  -8.783  -9.625
  535   1HG2  THR  66          1HG2      THR  66   5.960  -6.552 -11.285
  536   2HG2  THR  66          2HG2      THR  66   7.400  -6.867 -10.316
  537   3HG2  THR  66          3HG2      THR  66   5.834  -6.665  -9.530
  538    H    ILE  67           H        ILE  67   4.179  -7.944  -7.419
  539    HA   ILE  67           HA       ILE  67   1.965  -6.603  -8.817
  540    HB   ILE  67           HB       ILE  67   2.270  -7.282  -5.890
  541   1HG1  ILE  67          1HG1      ILE  67  -0.069  -8.300  -7.287
  542   2HG1  ILE  67          2HG1      ILE  67   1.428  -8.857  -8.029
  543   1HG2  ILE  67          1HG2      ILE  67   1.078  -5.267  -5.915
  544   2HG2  ILE  67          2HG2      ILE  67  -0.166  -6.514  -5.840
  545   3HG2  ILE  67          3HG2      ILE  67   0.186  -5.710  -7.370
  546   1HD1  ILE  67          1HD1      ILE  67   1.513 -10.434  -6.486
  547   2HD1  ILE  67          2HD1      ILE  67   0.158  -9.722  -5.610
  548   3HD1  ILE  67          3HD1      ILE  67   1.803  -9.174  -5.286
  549    H    HIS  68           H        HIS  68   1.670  -4.420  -8.655
  550    HA   HIS  68           HA       HIS  68   3.955  -2.896  -7.680
  551   1HB   HIS  68          1HB       HIS  68   1.544  -1.798  -9.122
  552   2HB   HIS  68          2HB       HIS  68   3.151  -1.088  -8.995
  553    HD1  HIS  68           HD1      HIS  68   2.517  -1.123 -11.743
  554    HD2  HIS  68           HD2      HIS  68   3.734  -4.649  -9.914
  555    HE1  HIS  68           HE1      HIS  68   3.300  -2.613 -13.611
  556    HE2  HIS  68           HE2      HIS  68   3.926  -4.780 -12.490
  557    H    LEU  69           H        LEU  69   3.957  -1.969  -5.753
  558    HA   LEU  69           HA       LEU  69   1.370  -1.376  -4.473
  559   1HB   LEU  69          1HB       LEU  69   2.624  -3.108  -3.302
  560   2HB   LEU  69          2HB       LEU  69   4.023  -2.056  -3.206
  561    HG   LEU  69           HG       LEU  69   2.389  -0.471  -1.907
  562   1HD1  LEU  69          1HD1      LEU  69   0.528  -1.370  -0.942
  563   2HD1  LEU  69          2HD1      LEU  69   1.148  -3.020  -1.016
  564   3HD1  LEU  69          3HD1      LEU  69   0.525  -2.245  -2.473
  565   1HD2  LEU  69          1HD2      LEU  69   4.098  -2.685  -1.102
  566   2HD2  LEU  69          2HD2      LEU  69   2.879  -2.276   0.105
  567   3HD2  LEU  69          3HD2      LEU  69   3.998  -1.041  -0.472
  568    H    VAL  70           H        VAL  70   0.921   0.717  -4.433
  569    HA   VAL  70           HA       VAL  70   3.153   2.629  -4.207
  570    HB   VAL  70           HB       VAL  70   1.339   4.258  -5.146
  571   1HG1  VAL  70          1HG1      VAL  70   3.508   3.224  -6.201
  572   2HG1  VAL  70          2HG1      VAL  70   2.354   4.110  -7.198
  573   3HG1  VAL  70          3HG1      VAL  70   2.346   2.346  -7.196
  574   1HG2  VAL  70          1HG2      VAL  70   0.299   1.571  -6.026
  575   2HG2  VAL  70          2HG2      VAL  70  -0.149   3.100  -6.781
  576   3HG2  VAL  70          3HG2      VAL  70  -0.556   2.799  -5.092
  577    H    LEU  71           H        LEU  71   3.034   4.271  -2.729
  578    HA   LEU  71           HA       LEU  71   1.184   3.870  -0.537
  579   1HB   LEU  71          1HB       LEU  71   3.666   4.362  -0.296
  580   2HB   LEU  71          2HB       LEU  71   3.295   6.006  -0.778
  581    HG   LEU  71           HG       LEU  71   2.022   6.403   1.185
  582   1HD1  LEU  71          1HD1      LEU  71   2.179   3.429   1.619
  583   2HD1  LEU  71          2HD1      LEU  71   0.739   4.414   1.364
  584   3HD1  LEU  71          3HD1      LEU  71   1.658   4.567   2.861
  585   1HD2  LEU  71          1HD2      LEU  71   4.674   5.909   1.273
  586   2HD2  LEU  71          2HD2      LEU  71   4.095   4.787   2.505
  587   3HD2  LEU  71          3HD2      LEU  71   3.734   6.508   2.639
  588    H    ARG  72           H        ARG  72  -0.635   4.971  -0.229
  589    HA   ARG  72           HA       ARG  72  -1.476   6.966  -2.093
  590   1HB   ARG  72          1HB       ARG  72  -2.917   5.240  -0.826
  591   2HB   ARG  72          2HB       ARG  72  -2.849   6.373   0.516
  592   1HG   ARG  72          1HG       ARG  72  -3.569   7.779  -1.863
  593   2HG   ARG  72          2HG       ARG  72  -4.616   6.372  -1.669
  594   1HD   ARG  72          1HD       ARG  72  -5.237   7.071   0.544
  595   2HD   ARG  72          2HD       ARG  72  -4.063   8.385   0.504
  596    HE   ARG  72           HE       ARG  72  -5.930   8.606  -1.626
  597   1HH1  ARG  72          1HH1      ARG  72  -6.756  10.359   1.876
  598   2HH1  ARG  72          2HH1      ARG  72  -5.559   9.110   1.799
  599   1HH2  ARG  72          1HH2      ARG  72  -7.508  10.249  -1.536
  600   2HH2  ARG  72          2HH2      ARG  72  -7.865  11.007  -0.020
  601    H    LEU  73           H        LEU  73  -1.184   9.090  -2.000
  602    HA   LEU  73           HA       LEU  73   0.415  10.408  -0.203
  603   1HB   LEU  73          1HB       LEU  73  -0.799  12.503  -0.961
  604   2HB   LEU  73          2HB       LEU  73  -0.072  11.516  -2.214
  605    HG   LEU  73           HG       LEU  73  -2.492  12.503  -2.501
  606   1HD1  LEU  73          1HD1      LEU  73  -2.489   9.682  -3.301
  607   2HD1  LEU  73          2HD1      LEU  73  -1.044  10.584  -3.759
  608   3HD1  LEU  73          3HD1      LEU  73  -2.634  11.142  -4.279
  609   1HD2  LEU  73          1HD2      LEU  73  -4.237  10.962  -1.821
  610   2HD2  LEU  73          2HD2      LEU  73  -3.353  11.547  -0.411
  611   3HD2  LEU  73          3HD2      LEU  73  -3.044   9.927  -1.035
  612    H    ARG  74           H        ARG  74  -0.446  12.409   1.116
  613    HA   ARG  74           HA       ARG  74  -1.649  11.436   3.426
  614   1HB   ARG  74          1HB       ARG  74  -1.210  14.208   2.359
  615   2HB   ARG  74          2HB       ARG  74  -2.078  13.960   3.868
  616   1HG   ARG  74          1HG       ARG  74  -0.165  12.868   4.842
  617   2HG   ARG  74          2HG       ARG  74   0.705  12.956   3.309
  618   1HD   ARG  74          1HD       ARG  74   0.267  15.012   5.357
  619   2HD   ARG  74          2HD       ARG  74   1.578  14.832   4.191
  620    HE   ARG  74           HE       ARG  74   0.431  16.187   2.724
  621   1HH1  ARG  74          1HH1      ARG  74  -2.867  16.456   4.979
  622   2HH1  ARG  74          2HH1      ARG  74  -1.631  15.314   5.392
  623   1HH2  ARG  74          1HH2      ARG  74  -1.191  17.693   2.171
  624   2HH2  ARG  74          2HH2      ARG  74  -2.617  17.808   3.148
  625    H    GLY  75           H        GLY  75  -3.199  14.141   1.779
  626   1HA   GLY  75          1HA       GLY  75  -5.448  14.637   1.602
  627   2HA   GLY  75          2HA       GLY  75  -5.488  13.087   0.777
  628    H    GLY  76           H        GLY  76  -5.791  14.636   3.942
  629   1HA   GLY  76          1HA       GLY  76  -7.110  14.111   5.746
  630   2HA   GLY  76          2HA       GLY  76  -8.051  13.103   4.657
  Start of MODEL   15
    1   1H    MET   1          1H        MET   1   1.961 -19.965  -1.718
    2   2H    MET   1          2H        MET   1   3.271 -19.635  -0.661
    3   3H    MET   1          3H        MET   1   3.096 -21.196  -1.355
    4    HA   MET   1           HA       MET   1   4.511 -20.523  -2.852
    5   1HB   MET   1          1HB       MET   1   3.486 -19.471  -4.749
    6   2HB   MET   1          2HB       MET   1   2.269 -20.476  -3.976
    7   1HG   MET   1          1HG       MET   1   1.592 -18.300  -2.757
    8   2HG   MET   1          2HG       MET   1   2.491 -17.501  -4.046
    9   1HE   MET   1          1HE       MET   1  -0.044 -16.234  -5.095
   10   2HE   MET   1          2HE       MET   1  -0.195 -16.779  -3.424
   11   3HE   MET   1          3HE       MET   1  -1.438 -17.197  -4.603
   12    H    GLN   2           H        GLN   2   5.550 -18.608  -4.057
   13    HA   GLN   2           HA       GLN   2   6.144 -16.555  -2.054
   14   1HB   GLN   2          1HB       GLN   2   7.744 -18.072  -3.834
   15   2HB   GLN   2          2HB       GLN   2   7.850 -16.396  -4.349
   16   1HG   GLN   2          1HG       GLN   2   9.427 -16.171  -2.810
   17   2HG   GLN   2          2HG       GLN   2   8.128 -16.227  -1.619
   18   1HE2  GLN   2          1HE2      GLN   2  10.387 -16.974  -0.626
   19   2HE2  GLN   2          2HE2      GLN   2  10.539 -18.690  -0.492
   20    H    LEU   3           H        LEU   3   5.996 -14.380  -2.469
   21    HA   LEU   3           HA       LEU   3   4.848 -13.582  -5.057
   22   1HB   LEU   3          1HB       LEU   3   3.968 -12.547  -2.361
   23   2HB   LEU   3          2HB       LEU   3   3.346 -12.035  -3.919
   24    HG   LEU   3           HG       LEU   3   3.065 -14.825  -2.800
   25   1HD1  LEU   3          1HD1      LEU   3   0.732 -13.043  -3.138
   26   2HD1  LEU   3          2HD1      LEU   3   1.805 -12.703  -1.780
   27   3HD1  LEU   3          3HD1      LEU   3   1.045 -14.289  -1.931
   28   1HD2  LEU   3          1HD2      LEU   3   2.777 -15.227  -5.005
   29   2HD2  LEU   3          2HD2      LEU   3   2.397 -13.545  -5.374
   30   3HD2  LEU   3          3HD2      LEU   3   1.164 -14.596  -4.677
   31    H    PHE   4           H        PHE   4   5.516 -11.623  -5.862
   32    HA   PHE   4           HA       PHE   4   7.714 -10.339  -4.388
   33   1HB   PHE   4          1HB       PHE   4   7.131 -10.571  -7.337
   34   2HB   PHE   4          2HB       PHE   4   8.302  -9.420  -6.702
   35    HD1  PHE   4           HD1      PHE   4  10.365 -10.203  -5.636
   36    HD2  PHE   4           HD2      PHE   4   7.598 -12.917  -7.415
   37    HE1  PHE   4           HE1      PHE   4  12.094 -11.960  -5.635
   38    HE2  PHE   4           HE2      PHE   4   9.321 -14.680  -7.416
   39    HZ   PHE   4           HZ       PHE   4  11.573 -14.202  -6.525
   40    H    VAL   5           H        VAL   5   7.656  -8.207  -3.917
   41    HA   VAL   5           HA       VAL   5   5.408  -6.623  -4.963
   42    HB   VAL   5           HB       VAL   5   6.371  -6.244  -2.149
   43   1HG1  VAL   5          1HG1      VAL   5   3.816  -5.616  -2.055
   44   2HG1  VAL   5          2HG1      VAL   5   4.031  -5.424  -3.795
   45   3HG1  VAL   5          3HG1      VAL   5   5.012  -4.478  -2.675
   46   1HG2  VAL   5          1HG2      VAL   5   4.437  -7.674  -1.432
   47   2HG2  VAL   5          2HG2      VAL   5   5.784  -8.553  -2.156
   48   3HG2  VAL   5          3HG2      VAL   5   4.325  -8.242  -3.097
   49    H    LYS   6           H        LYS   6   6.098  -4.857  -5.963
   50    HA   LYS   6           HA       LYS   6   8.747  -3.788  -5.266
   51   1HB   LYS   6          1HB       LYS   6   8.630  -2.688  -7.518
   52   2HB   LYS   6          2HB       LYS   6   8.663  -4.445  -7.563
   53   1HG   LYS   6          1HG       LYS   6   6.681  -4.561  -8.571
   54   2HG   LYS   6          2HG       LYS   6   5.962  -3.370  -7.485
   55   1HD   LYS   6          1HD       LYS   6   5.910  -2.506  -9.729
   56   2HD   LYS   6          2HD       LYS   6   7.081  -1.580  -8.789
   57   1HE   LYS   6          1HE       LYS   6   8.907  -2.832  -9.763
   58   2HE   LYS   6          2HE       LYS   6   7.772  -3.872 -10.622
   59   1HZ   LYS   6          1HZ       LYS   6   8.604  -2.238 -12.126
   60   2HZ   LYS   6          2HZ       LYS   6   8.221  -0.974 -11.070
   61   3HZ   LYS   6          3HZ       LYS   6   6.985  -1.863 -11.805
   62    H    THR   7           H        THR   7   9.046  -1.509  -5.147
   63    HA   THR   7           HA       THR   7   6.611  -0.093  -4.308
   64    HB   THR   7           HB       THR   7   8.315   1.481  -3.217
   65    HG1  THR   7           HG1      THR   7  10.345   0.504  -2.827
   66   1HG2  THR   7          1HG2      THR   7   8.930  -0.346  -1.441
   67   2HG2  THR   7          2HG2      THR   7   7.745  -1.295  -2.338
   68   3HG2  THR   7          3HG2      THR   7   7.277   0.243  -1.613
   69    H    LEU   8           H        LEU   8   7.253   2.480  -4.454
   70    HA   LEU   8           HA       LEU   8   7.190   3.001  -7.279
   71   1HB   LEU   8          1HB       LEU   8   7.167   4.860  -4.903
   72   2HB   LEU   8          2HB       LEU   8   6.965   5.378  -6.566
   73    HG   LEU   8           HG       LEU   8   5.058   3.971  -4.772
   74   1HD1  LEU   8          1HD1      LEU   8   5.240   6.433  -6.182
   75   2HD1  LEU   8          2HD1      LEU   8   3.985   5.886  -5.069
   76   3HD1  LEU   8          3HD1      LEU   8   3.848   5.537  -6.793
   77   1HD2  LEU   8          1HD2      LEU   8   3.806   3.012  -6.554
   78   2HD2  LEU   8          2HD2      LEU   8   5.461   2.419  -6.694
   79   3HD2  LEU   8          3HD2      LEU   8   4.890   3.698  -7.764
   80    H    THR   9           H        THR   9   9.693   2.419  -5.244
   81    HA   THR   9           HA       THR   9  11.493   4.268  -6.664
   82    HB   THR   9           HB       THR   9  12.912   4.322  -4.796
   83    HG1  THR   9           HG1      THR   9  12.618   2.850  -3.034
   84   1HG2  THR   9          1HG2      THR   9  11.635   5.469  -3.397
   85   2HG2  THR   9          2HG2      THR   9  10.678   4.046  -2.985
   86   3HG2  THR   9          3HG2      THR   9  10.266   5.006  -4.406
   87    H    GLY  10           H        GLY  10  10.534   1.071  -6.448
   88   1HA   GLY  10          1HA       GLY  10  11.423  -0.515  -8.028
   89   2HA   GLY  10          2HA       GLY  10  13.004   0.216  -7.808
   90    H    LYS  11           H        LYS  11  11.936   0.152  -4.790
   91    HA   LYS  11           HA       LYS  11  13.562  -2.018  -4.005
   92   1HB   LYS  11          1HB       LYS  11  12.380   0.139  -2.742
   93   2HB   LYS  11          2HB       LYS  11  11.537  -1.240  -2.050
   94   1HG   LYS  11          1HG       LYS  11  13.963  -2.185  -1.758
   95   2HG   LYS  11          2HG       LYS  11  14.406  -0.479  -1.856
   96   1HD   LYS  11          1HD       LYS  11  14.063  -0.595   0.383
   97   2HD   LYS  11          2HD       LYS  11  12.396  -0.287  -0.109
   98   1HE   LYS  11          1HE       LYS  11  11.776  -2.198   0.831
   99   2HE   LYS  11          2HE       LYS  11  12.827  -3.076  -0.280
  100   1HZ   LYS  11          1HZ       LYS  11  14.623  -2.916   1.260
  101   2HZ   LYS  11          2HZ       LYS  11  13.280  -3.513   2.099
  102   3HZ   LYS  11          3HZ       LYS  11  13.742  -1.897   2.285
  103    H    THR  12           H        THR  12  12.969  -3.970  -4.840
  104    HA   THR  12           HA       THR  12  10.216  -4.882  -4.549
  105    HB   THR  12           HB       THR  12  12.440  -6.549  -5.679
  106    HG1  THR  12           HG1      THR  12  12.657  -4.576  -6.722
  107   1HG2  THR  12          1HG2      THR  12  10.773  -7.870  -6.260
  108   2HG2  THR  12          2HG2      THR  12  10.137  -6.581  -7.282
  109   3HG2  THR  12          3HG2      THR  12   9.597  -6.728  -5.610
  110    H    LEU  13           H        LEU  13   9.627  -6.762  -3.420
  111    HA   LEU  13           HA       LEU  13  11.635  -7.818  -1.550
  112   1HB   LEU  13          1HB       LEU  13   9.140  -6.414  -0.950
  113   2HB   LEU  13          2HB       LEU  13   9.281  -7.959  -0.132
  114    HG   LEU  13           HG       LEU  13  11.588  -6.071  -0.004
  115   1HD1  LEU  13          1HD1      LEU  13  10.433  -5.220   2.153
  116   2HD1  LEU  13          2HD1      LEU  13   8.944  -5.708   1.343
  117   3HD1  LEU  13          3HD1      LEU  13   9.998  -4.504   0.600
  118   1HD2  LEU  13          1HD2      LEU  13  11.225  -8.527   0.984
  119   2HD2  LEU  13          2HD2      LEU  13  10.559  -7.584   2.316
  120   3HD2  LEU  13          3HD2      LEU  13  12.216  -7.307   1.783
  121    H    THR  14           H        THR  14  10.996  -9.906  -0.579
  122    HA   THR  14           HA       THR  14   9.227 -11.454  -2.353
  123    HB   THR  14           HB       THR  14  11.793 -12.482  -1.130
  124    HG1  THR  14           HG1      THR  14  12.607 -12.316  -3.261
  125   1HG2  THR  14          1HG2      THR  14   9.986 -13.635  -3.241
  126   2HG2  THR  14          2HG2      THR  14  10.257 -14.267  -1.616
  127   3HG2  THR  14          3HG2      THR  14  11.569 -14.275  -2.795
  128    H    VAL  15           H        VAL  15   7.508 -11.994  -1.181
  129    HA   VAL  15           HA       VAL  15   7.926 -12.857   1.607
  130    HB   VAL  15           HB       VAL  15   5.347 -12.369   1.702
  131   1HG1  VAL  15          1HG1      VAL  15   7.712 -10.715   2.127
  132   2HG1  VAL  15          2HG1      VAL  15   6.332 -11.014   3.183
  133   3HG1  VAL  15          3HG1      VAL  15   6.229  -9.782   1.925
  134   1HG2  VAL  15          1HG2      VAL  15   4.644 -10.528   0.294
  135   2HG2  VAL  15          2HG2      VAL  15   5.157 -11.885  -0.709
  136   3HG2  VAL  15          3HG2      VAL  15   6.221 -10.495  -0.494
  137    H    GLU  16           H        GLU  16   6.038 -14.334   2.345
  138    HA   GLU  16           HA       GLU  16   5.468 -16.298   0.225
  139   1HB   GLU  16          1HB       GLU  16   5.658 -18.042   2.064
  140   2HB   GLU  16          2HB       GLU  16   7.163 -17.314   1.520
  141   1HG   GLU  16          1HG       GLU  16   7.618 -16.889   3.642
  142   2HG   GLU  16          2HG       GLU  16   6.323 -15.692   3.609
  143    H    LEU  17           H        LEU  17   3.372 -16.626  -0.065
  144    HA   LEU  17           HA       LEU  17   1.562 -16.673   2.209
  145   1HB   LEU  17          1HB       LEU  17   1.135 -14.818  -0.134
  146   2HB   LEU  17          2HB       LEU  17  -0.026 -15.123   1.143
  147    HG   LEU  17           HG       LEU  17   2.657 -14.140   1.960
  148   1HD1  LEU  17          1HD1      LEU  17   2.548 -12.476   0.441
  149   2HD1  LEU  17          2HD1      LEU  17   1.415 -11.786   1.604
  150   3HD1  LEU  17          3HD1      LEU  17   0.811 -12.663   0.198
  151   1HD2  LEU  17          1HD2      LEU  17   0.195 -12.915   2.972
  152   2HD2  LEU  17          2HD2      LEU  17   1.586 -13.563   3.842
  153   3HD2  LEU  17          3HD2      LEU  17   0.324 -14.651   3.260
  154    H    GLU  18           H        GLU  18  -0.793 -17.057   1.234
  155    HA   GLU  18           HA       GLU  18  -0.495 -19.193  -0.773
  156   1HB   GLU  18          1HB       GLU  18  -2.765 -19.048   1.188
  157   2HB   GLU  18          2HB       GLU  18  -2.161 -20.443   0.304
  158   1HG   GLU  18          1HG       GLU  18  -0.484 -19.059   2.363
  159   2HG   GLU  18          2HG       GLU  18  -1.673 -20.282   2.810
  160    HA   PRO  19           HA       PRO  19  -3.281 -17.176  -3.510
  161   1HB   PRO  19          1HB       PRO  19  -4.802 -19.270  -4.404
  162   2HB   PRO  19          2HB       PRO  19  -3.153 -18.951  -4.951
  163   1HG   PRO  19          1HG       PRO  19  -4.126 -20.892  -2.892
  164   2HG   PRO  19          2HG       PRO  19  -2.890 -21.113  -4.144
  165   1HD   PRO  19          1HD       PRO  19  -2.247 -20.629  -1.572
  166   2HD   PRO  19          2HD       PRO  19  -1.272 -20.005  -2.918
  167    H    SER  20           H        SER  20  -4.526 -19.087  -0.896
  168    HA   SER  20           HA       SER  20  -7.245 -18.139  -1.216
  169   1HB   SER  20          1HB       SER  20  -7.630 -19.399   0.925
  170   2HB   SER  20          2HB       SER  20  -6.985 -20.385  -0.386
  171    HG   SER  20           HG       SER  20  -5.830 -20.826   1.477
  172    H    ASP  21           H        ASP  21  -4.374 -17.112   0.304
  173    HA   ASP  21           HA       ASP  21  -5.255 -15.802   2.580
  174   1HB   ASP  21          1HB       ASP  21  -3.041 -15.179   0.634
  175   2HB   ASP  21          2HB       ASP  21  -3.322 -14.185   2.060
  176    H    THR  22           H        THR  22  -5.494 -13.431   2.903
  177    HA   THR  22           HA       THR  22  -7.142 -12.292   0.747
  178    HB   THR  22           HB       THR  22  -8.511 -11.299   2.328
  179    HG1  THR  22           HG1      THR  22  -7.449 -10.190   3.756
  180   1HG2  THR  22          1HG2      THR  22  -7.887 -13.985   2.840
  181   2HG2  THR  22          2HG2      THR  22  -9.357 -13.108   3.263
  182   3HG2  THR  22          3HG2      THR  22  -8.017 -13.186   4.408
  183    H    VAL  23           H        VAL  23  -7.060  -9.981   0.419
  184    HA   VAL  23           HA       VAL  23  -4.533  -8.961   0.019
  185    HB   VAL  23           HB       VAL  23  -6.938  -7.232   0.588
  186   1HG1  VAL  23          1HG1      VAL  23  -5.052  -6.564  -1.564
  187   2HG1  VAL  23          2HG1      VAL  23  -4.385  -6.493   0.067
  188   3HG1  VAL  23          3HG1      VAL  23  -5.803  -5.531  -0.349
  189   1HG2  VAL  23          1HG2      VAL  23  -6.360  -9.051  -1.677
  190   2HG2  VAL  23          2HG2      VAL  23  -7.002  -7.456  -2.072
  191   3HG2  VAL  23          3HG2      VAL  23  -7.906  -8.531  -1.004
  192    H    GLU  24           H        GLU  24  -6.572  -8.754   2.866
  193    HA   GLU  24           HA       GLU  24  -5.142  -6.772   4.255
  194   1HB   GLU  24          1HB       GLU  24  -7.445  -7.838   4.780
  195   2HB   GLU  24          2HB       GLU  24  -6.515  -9.062   5.633
  196   1HG   GLU  24          1HG       GLU  24  -5.568  -6.525   6.459
  197   2HG   GLU  24          2HG       GLU  24  -7.329  -6.502   6.533
  198    H    ASN  25           H        ASN  25  -4.833 -10.301   4.201
  199    HA   ASN  25           HA       ASN  25  -2.852 -10.558   6.157
  200   1HB   ASN  25          1HB       ASN  25  -3.325 -12.245   3.687
  201   2HB   ASN  25          2HB       ASN  25  -2.313 -12.714   5.050
  202   1HD2  ASN  25          1HD2      ASN  25  -3.269 -13.281   6.993
  203   2HD2  ASN  25          2HD2      ASN  25  -4.953 -13.642   7.124
  204    H    LEU  26           H        LEU  26  -2.549 -10.186   2.632
  205    HA   LEU  26           HA       LEU  26   0.236 -10.259   2.476
  206   1HB   LEU  26          1HB       LEU  26  -0.771 -10.365   0.411
  207   2HB   LEU  26          2HB       LEU  26  -1.933  -9.109   0.792
  208    HG   LEU  26           HG       LEU  26  -0.352  -7.383   0.394
  209   1HD1  LEU  26          1HD1      LEU  26   1.599  -9.549   0.796
  210   2HD1  LEU  26          2HD1      LEU  26   1.696  -7.837   1.207
  211   3HD1  LEU  26          3HD1      LEU  26   2.014  -8.367  -0.445
  212   1HD2  LEU  26          1HD2      LEU  26   0.110  -7.657  -1.902
  213   2HD2  LEU  26          2HD2      LEU  26  -1.340  -8.610  -1.589
  214   3HD2  LEU  26          3HD2      LEU  26   0.223  -9.410  -1.750
  215    H    LYS  27           H        LYS  27  -1.897  -7.409   2.668
  216    HA   LYS  27           HA       LYS  27   0.065  -5.455   2.806
  217   1HB   LYS  27          1HB       LYS  27  -2.719  -5.595   3.942
  218   2HB   LYS  27          2HB       LYS  27  -1.712  -4.170   4.158
  219   1HG   LYS  27          1HG       LYS  27  -1.886  -3.543   1.990
  220   2HG   LYS  27          2HG       LYS  27  -2.003  -5.203   1.403
  221   1HD   LYS  27          1HD       LYS  27  -4.273  -5.329   1.812
  222   2HD   LYS  27          2HD       LYS  27  -4.229  -4.048   3.026
  223   1HE   LYS  27          1HE       LYS  27  -3.357  -2.976   0.534
  224   2HE   LYS  27          2HE       LYS  27  -4.867  -3.849   0.272
  225   1HZ   LYS  27          1HZ       LYS  27  -4.782  -1.337   1.084
  226   2HZ   LYS  27          2HZ       LYS  27  -4.765  -2.097   2.595
  227   3HZ   LYS  27          3HZ       LYS  27  -6.033  -2.392   1.515
  228    H    ALA  28           H        ALA  28  -1.390  -7.374   5.400
  229    HA   ALA  28           HA       ALA  28  -0.261  -6.142   7.605
  230   1HB   ALA  28          1HB       ALA  28  -1.800  -7.774   8.150
  231   2HB   ALA  28          2HB       ALA  28  -0.281  -8.575   8.551
  232   3HB   ALA  28          3HB       ALA  28  -1.104  -8.952   7.038
  233    H    LYS  29           H        LYS  29   1.105  -8.629   5.486
  234    HA   LYS  29           HA       LYS  29   3.497  -9.048   6.890
  235   1HB   LYS  29          1HB       LYS  29   2.921  -9.289   3.931
  236   2HB   LYS  29          2HB       LYS  29   4.372  -9.896   4.717
  237   1HG   LYS  29          1HG       LYS  29   1.909 -10.826   5.969
  238   2HG   LYS  29          2HG       LYS  29   2.074 -11.315   4.280
  239   1HD   LYS  29          1HD       LYS  29   4.005 -12.527   4.682
  240   2HD   LYS  29          2HD       LYS  29   4.379 -11.635   6.159
  241   1HE   LYS  29          1HE       LYS  29   2.213 -13.692   5.767
  242   2HE   LYS  29          2HE       LYS  29   3.661 -13.843   6.761
  243   1HZ   LYS  29          1HZ       LYS  29   2.778 -11.922   8.076
  244   2HZ   LYS  29          2HZ       LYS  29   1.878 -13.348   8.205
  245   3HZ   LYS  29          3HZ       LYS  29   1.322 -12.084   7.229
  246    H    ILE  30           H        ILE  30   2.667  -6.778   4.300
  247    HA   ILE  30           HA       ILE  30   5.261  -5.650   4.059
  248    HB   ILE  30           HB       ILE  30   2.667  -4.265   3.396
  249   1HG1  ILE  30          1HG1      ILE  30   4.228  -6.321   1.827
  250   2HG1  ILE  30          2HG1      ILE  30   2.544  -6.407   2.332
  251   1HG2  ILE  30          1HG2      ILE  30   5.278  -4.024   1.946
  252   2HG2  ILE  30          2HG2      ILE  30   4.933  -3.058   3.381
  253   3HG2  ILE  30          3HG2      ILE  30   3.905  -2.917   1.955
  254   1HD1  ILE  30          1HD1      ILE  30   3.436  -4.218   0.518
  255   2HD1  ILE  30          2HD1      ILE  30   1.841  -4.949   0.699
  256   3HD1  ILE  30          3HD1      ILE  30   3.128  -5.833  -0.121
  257    H    GLN  31           H        GLN  31   2.799  -5.313   6.391
  258    HA   GLN  31           HA       GLN  31   3.650  -2.675   7.265
  259   1HB   GLN  31          1HB       GLN  31   1.277  -3.196   7.367
  260   2HB   GLN  31          2HB       GLN  31   1.598  -4.593   8.386
  261   1HG   GLN  31          1HG       GLN  31   2.416  -3.122  10.153
  262   2HG   GLN  31          2HG       GLN  31   2.102  -1.720   9.132
  263   1HE2  GLN  31          1HE2      GLN  31   0.588  -0.754  10.388
  264   2HE2  GLN  31          2HE2      GLN  31  -0.963  -1.436  10.725
  265    H    ASP  32           H        ASP  32   4.240  -5.999   8.006
  266    HA   ASP  32           HA       ASP  32   5.434  -5.391  10.586
  267   1HB   ASP  32          1HB       ASP  32   4.301  -7.696   9.385
  268   2HB   ASP  32          2HB       ASP  32   5.976  -8.059   9.782
  269    H    LYS  33           H        LYS  33   6.371  -5.503   7.347
  270    HA   LYS  33           HA       LYS  33   9.199  -5.864   8.090
  271   1HB   LYS  33          1HB       LYS  33   7.652  -6.554   5.631
  272   2HB   LYS  33          2HB       LYS  33   9.352  -6.137   5.463
  273   1HG   LYS  33          1HG       LYS  33   9.272  -7.951   7.571
  274   2HG   LYS  33          2HG       LYS  33   8.138  -8.586   6.376
  275   1HD   LYS  33          1HD       LYS  33   9.796  -8.694   4.707
  276   2HD   LYS  33          2HD       LYS  33  10.901  -7.667   5.626
  277   1HE   LYS  33          1HE       LYS  33  11.763  -9.828   5.877
  278   2HE   LYS  33          2HE       LYS  33  10.891  -9.523   7.378
  279   1HZ   LYS  33          1HZ       LYS  33   9.574 -11.243   6.987
  280   2HZ   LYS  33          2HZ       LYS  33  10.548 -11.653   5.667
  281   3HZ   LYS  33          3HZ       LYS  33   9.180 -10.687   5.437
  282    H    GLU  34           H        GLU  34   7.150  -4.092   5.770
  283    HA   GLU  34           HA       GLU  34   9.178  -2.012   5.558
  284   1HB   GLU  34          1HB       GLU  34   6.549  -2.420   4.123
  285   2HB   GLU  34          2HB       GLU  34   7.632  -1.066   3.831
  286   1HG   GLU  34          1HG       GLU  34   9.397  -2.920   3.387
  287   2HG   GLU  34          2HG       GLU  34   7.983  -3.949   3.159
  288    H    GLY  35           H        GLY  35   6.671  -2.678   7.603
  289   1HA   GLY  35          1HA       GLY  35   5.552  -1.422   9.166
  290   2HA   GLY  35          2HA       GLY  35   6.730  -0.157   8.850
  291    H    ILE  36           H        ILE  36   4.795  -1.361   6.239
  292    HA   ILE  36           HA       ILE  36   3.493   1.247   6.051
  293    HB   ILE  36           HB       ILE  36   3.182  -0.910   3.998
  294   1HG1  ILE  36          1HG1      ILE  36   5.540   0.980   4.157
  295   2HG1  ILE  36          2HG1      ILE  36   5.611  -0.729   4.576
  296   1HG2  ILE  36          1HG2      ILE  36   2.901   0.914   2.490
  297   2HG2  ILE  36          2HG2      ILE  36   3.452   2.073   3.699
  298   3HG2  ILE  36          3HG2      ILE  36   1.910   1.244   3.911
  299   1HD1  ILE  36          1HD1      ILE  36   4.534  -0.800   2.072
  300   2HD1  ILE  36          2HD1      ILE  36   6.240  -1.018   2.462
  301   3HD1  ILE  36          3HD1      ILE  36   5.643   0.566   1.969
  302    HA   PRO  37           HA       PRO  37  -0.242  -0.610   7.626
  303   1HB   PRO  37          1HB       PRO  37  -1.741   1.620   7.659
  304   2HB   PRO  37          2HB       PRO  37  -0.440   1.350   8.823
  305   1HG   PRO  37          1HG       PRO  37  -0.463   3.040   6.357
  306   2HG   PRO  37          2HG       PRO  37   0.259   3.377   7.941
  307   1HD   PRO  37          1HD       PRO  37   1.662   2.473   5.749
  308   2HD   PRO  37          2HD       PRO  37   2.181   2.250   7.430
  309    HA   PRO  38           HA       PRO  38  -2.456  -1.658   3.937
  310   1HB   PRO  38          1HB       PRO  38  -4.749  -2.008   5.790
  311   2HB   PRO  38          2HB       PRO  38  -4.031  -3.159   4.659
  312   1HG   PRO  38          1HG       PRO  38  -3.636  -3.386   7.290
  313   2HG   PRO  38          2HG       PRO  38  -2.344  -3.755   6.132
  314   1HD   PRO  38          1HD       PRO  38  -2.720  -1.336   7.849
  315   2HD   PRO  38          2HD       PRO  38  -1.226  -2.190   7.411
  316    H    ASP  39           H        ASP  39  -3.479   0.754   6.203
  317    HA   ASP  39           HA       ASP  39  -5.718   1.722   4.730
  318   1HB   ASP  39          1HB       ASP  39  -5.334   3.791   6.217
  319   2HB   ASP  39          2HB       ASP  39  -5.743   2.273   7.011
  320    H    GLN  40           H        GLN  40  -2.286   2.417   4.742
  321    HA   GLN  40           HA       GLN  40  -2.703   4.533   2.746
  322   1HB   GLN  40          1HB       GLN  40  -0.194   3.883   4.301
  323   2HB   GLN  40          2HB       GLN  40  -0.443   5.270   3.249
  324   1HG   GLN  40          1HG       GLN  40  -2.518   5.271   5.172
  325   2HG   GLN  40          2HG       GLN  40  -0.995   5.010   6.021
  326   1HE2  GLN  40          1HE2      GLN  40  -0.472   6.899   6.877
  327   2HE2  GLN  40          2HE2      GLN  40  -0.404   8.405   6.033
  328    H    GLN  41           H        GLN  41  -2.209   1.321   2.803
  329    HA   GLN  41           HA       GLN  41  -0.171   1.201   0.731
  330   1HB   GLN  41          1HB       GLN  41  -1.424  -0.694   2.588
  331   2HB   GLN  41          2HB       GLN  41  -1.144  -1.351   0.981
  332   1HG   GLN  41          1HG       GLN  41   1.234  -0.525   1.203
  333   2HG   GLN  41          2HG       GLN  41   0.871  -0.232   2.903
  334   1HE2  GLN  41          1HE2      GLN  41   0.539  -1.970   4.279
  335   2HE2  GLN  41          2HE2      GLN  41   0.986  -3.583   3.852
  336    H    ARG  42           H        ARG  42  -0.535   0.893  -1.383
  337    HA   ARG  42           HA       ARG  42  -3.283   0.305  -2.256
  338   1HB   ARG  42          1HB       ARG  42  -2.325   2.773  -2.481
  339   2HB   ARG  42          2HB       ARG  42  -1.571   2.095  -3.917
  340   1HG   ARG  42          1HG       ARG  42  -3.543   1.865  -5.017
  341   2HG   ARG  42          2HG       ARG  42  -4.466   1.597  -3.536
  342   1HD   ARG  42          1HD       ARG  42  -4.757   3.824  -3.148
  343   2HD   ARG  42          2HD       ARG  42  -3.241   4.269  -3.928
  344    HE   ARG  42           HE       ARG  42  -5.821   4.114  -5.147
  345   1HH1  ARG  42          1HH1      ARG  42  -2.524   4.156  -7.417
  346   2HH1  ARG  42          2HH1      ARG  42  -2.404   3.782  -5.729
  347   1HH2  ARG  42          1HH2      ARG  42  -5.990   4.609  -7.367
  348   2HH2  ARG  42          2HH2      ARG  42  -4.562   4.628  -8.348
  349    H    LEU  43           H        LEU  43  -2.920  -1.803  -2.809
  350    HA   LEU  43           HA       LEU  43  -0.639  -2.491  -4.476
  351   1HB   LEU  43          1HB       LEU  43  -2.824  -4.387  -3.690
  352   2HB   LEU  43          2HB       LEU  43  -1.142  -4.735  -4.046
  353    HG   LEU  43           HG       LEU  43  -1.868  -3.093  -1.645
  354   1HD1  LEU  43          1HD1      LEU  43  -1.395  -5.821  -0.944
  355   2HD1  LEU  43          2HD1      LEU  43  -2.751  -5.731  -2.067
  356   3HD1  LEU  43          3HD1      LEU  43  -2.783  -4.800  -0.570
  357   1HD2  LEU  43          1HD2      LEU  43   0.347  -3.085  -1.465
  358   2HD2  LEU  43          2HD2      LEU  43   0.516  -4.230  -2.796
  359   3HD2  LEU  43          3HD2      LEU  43   0.266  -4.820  -1.153
  360    H    ILE  44           H        ILE  44  -0.721  -3.067  -6.592
  361    HA   ILE  44           HA       ILE  44  -3.337  -3.190  -7.912
  362    HB   ILE  44           HB       ILE  44  -1.045  -1.605  -9.063
  363   1HG1  ILE  44          1HG1      ILE  44  -3.530  -0.329  -7.983
  364   2HG1  ILE  44          2HG1      ILE  44  -2.220  -0.732  -6.878
  365   1HG2  ILE  44          1HG2      ILE  44  -3.956  -1.571  -9.820
  366   2HG2  ILE  44          2HG2      ILE  44  -2.769  -2.629 -10.586
  367   3HG2  ILE  44          3HG2      ILE  44  -2.595  -0.877 -10.702
  368   1HD1  ILE  44          1HD1      ILE  44  -1.988   1.036  -9.300
  369   2HD1  ILE  44          2HD1      ILE  44  -0.693   0.649  -8.168
  370   3HD1  ILE  44          3HD1      ILE  44  -2.090   1.578  -7.624
  371    H    PHE  45           H        PHE  45  -3.489  -4.859  -9.264
  372    HA   PHE  45           HA       PHE  45  -0.994  -6.126 -10.191
  373   1HB   PHE  45          1HB       PHE  45  -2.567  -7.362  -8.523
  374   2HB   PHE  45          2HB       PHE  45  -3.588  -7.617  -9.936
  375    HD1  PHE  45           HD1      PHE  45   0.086  -7.801  -9.261
  376    HD2  PHE  45           HD2      PHE  45  -3.396  -9.729 -10.793
  377    HE1  PHE  45           HE1      PHE  45   1.450  -9.755  -9.892
  378    HE2  PHE  45           HE2      PHE  45  -2.039 -11.687 -11.425
  379    HZ   PHE  45           HZ       PHE  45   0.387 -11.701 -10.974
  380    H    ALA  46           H        ALA  46  -0.676  -5.709 -12.271
  381    HA   ALA  46           HA       ALA  46  -1.070  -5.228 -14.471
  382   1HB   ALA  46          1HB       ALA  46  -1.564  -7.188 -15.386
  383   2HB   ALA  46          2HB       ALA  46  -3.262  -6.988 -14.958
  384   3HB   ALA  46          3HB       ALA  46  -2.151  -7.754 -13.823
  385    H    GLY  47           H        GLY  47  -2.302  -3.365 -12.889
  386   1HA   GLY  47          1HA       GLY  47  -3.777  -1.617 -13.202
  387   2HA   GLY  47          2HA       GLY  47  -4.375  -2.434 -14.637
  388    H    LYS  48           H        LYS  48  -4.302  -4.102 -11.594
  389    HA   LYS  48           HA       LYS  48  -7.220  -3.763 -11.370
  390   1HB   LYS  48          1HB       LYS  48  -6.127  -6.070 -12.134
  391   2HB   LYS  48          2HB       LYS  48  -5.947  -6.273 -10.397
  392   1HG   LYS  48          1HG       LYS  48  -8.128  -6.652 -10.096
  393   2HG   LYS  48          2HG       LYS  48  -8.603  -5.368 -11.210
  394   1HD   LYS  48          1HD       LYS  48  -7.419  -7.884 -12.295
  395   2HD   LYS  48          2HD       LYS  48  -9.106  -7.877 -11.776
  396   1HE   LYS  48          1HE       LYS  48  -8.753  -5.548 -13.300
  397   2HE   LYS  48          2HE       LYS  48  -7.933  -6.835 -14.184
  398   1HZ   LYS  48          1HZ       LYS  48 -10.757  -6.443 -13.688
  399   2HZ   LYS  48          2HZ       LYS  48 -10.221  -8.036 -13.497
  400   3HZ   LYS  48          3HZ       LYS  48  -9.980  -7.236 -14.966
  401    H    GLN  49           H        GLN  49  -7.180  -2.225  -9.773
  402    HA   GLN  49           HA       GLN  49  -5.516  -2.244  -7.513
  403   1HB   GLN  49          1HB       GLN  49  -7.450  -0.553  -8.566
  404   2HB   GLN  49          2HB       GLN  49  -8.130  -1.056  -7.024
  405   1HG   GLN  49          1HG       GLN  49  -6.813   0.350  -5.947
  406   2HG   GLN  49          2HG       GLN  49  -5.382  -0.402  -6.650
  407   1HE2  GLN  49          1HE2      GLN  49  -8.040   1.631  -7.846
  408   2HE2  GLN  49          2HE2      GLN  49  -7.026   2.788  -8.633
  409    H    LEU  50           H        LEU  50  -5.471  -3.594  -5.853
  410    HA   LEU  50           HA       LEU  50  -7.493  -5.557  -5.431
  411   1HB   LEU  50          1HB       LEU  50  -5.286  -4.807  -3.522
  412   2HB   LEU  50          2HB       LEU  50  -6.139  -6.336  -3.619
  413    HG   LEU  50           HG       LEU  50  -4.064  -5.240  -5.495
  414   1HD1  LEU  50          1HD1      LEU  50  -3.573  -7.896  -4.977
  415   2HD1  LEU  50          2HD1      LEU  50  -4.204  -7.295  -3.442
  416   3HD1  LEU  50          3HD1      LEU  50  -2.801  -6.523  -4.182
  417   1HD2  LEU  50          1HD2      LEU  50  -6.335  -6.952  -6.119
  418   2HD2  LEU  50          2HD2      LEU  50  -4.782  -7.691  -6.509
  419   3HD2  LEU  50          3HD2      LEU  50  -5.209  -6.125  -7.195
  420    H    GLU  51           H        GLU  51  -8.818  -5.839  -3.580
  421    HA   GLU  51           HA       GLU  51  -9.346  -3.367  -2.069
  422   1HB   GLU  51          1HB       GLU  51 -11.412  -5.328  -3.085
  423   2HB   GLU  51          2HB       GLU  51 -11.739  -3.889  -2.128
  424   1HG   GLU  51          1HG       GLU  51 -11.447  -2.482  -3.883
  425   2HG   GLU  51          2HG       GLU  51 -10.266  -3.527  -4.670
  426    H    ASP  52           H        ASP  52  -9.138  -3.618   0.048
  427    HA   ASP  52           HA       ASP  52  -8.406  -5.930   1.339
  428   1HB   ASP  52          1HB       ASP  52  -8.178  -3.714   2.350
  429   2HB   ASP  52          2HB       ASP  52  -9.928  -3.585   2.498
  430    H    GLY  53           H        GLY  53  -9.462  -7.801   1.410
  431   1HA   GLY  53          1HA       GLY  53 -11.402  -8.762   2.755
  432   2HA   GLY  53          2HA       GLY  53 -12.394  -7.744   1.723
  433    H    ARG  54           H        ARG  54 -10.306  -8.422  -0.465
  434    HA   ARG  54           HA       ARG  54 -11.732 -10.792  -1.388
  435   1HB   ARG  54          1HB       ARG  54  -9.672  -9.301  -2.985
  436   2HB   ARG  54          2HB       ARG  54 -11.047 -10.235  -3.558
  437   1HG   ARG  54          1HG       ARG  54 -11.311  -7.650  -2.044
  438   2HG   ARG  54          2HG       ARG  54 -11.261  -7.756  -3.805
  439   1HD   ARG  54          1HD       ARG  54 -13.407  -8.329  -3.898
  440   2HD   ARG  54          2HD       ARG  54 -13.164  -9.629  -2.732
  441    HE   ARG  54           HE       ARG  54 -13.316  -7.004  -1.556
  442   1HH1  ARG  54          1HH1      ARG  54 -16.470  -9.471  -1.592
  443   2HH1  ARG  54          2HH1      ARG  54 -15.113  -9.791  -2.621
  444   1HH2  ARG  54          1HH2      ARG  54 -15.096  -6.574  -0.197
  445   2HH2  ARG  54          2HH2      ARG  54 -16.459  -7.641  -0.214
  446    H    THR  55           H        THR  55 -10.431 -12.453  -2.599
  447    HA   THR  55           HA       THR  55  -8.025 -13.100  -1.037
  448    HB   THR  55           HB       THR  55  -8.446 -15.445  -1.770
  449    HG1  THR  55           HG1      THR  55 -10.024 -15.904  -3.091
  450   1HG2  THR  55          1HG2      THR  55  -9.360 -14.644   0.377
  451   2HG2  THR  55          2HG2      THR  55 -10.333 -15.912  -0.369
  452   3HG2  THR  55          3HG2      THR  55 -10.860 -14.231  -0.452
  453    H    LEU  56           H        LEU  56  -6.116 -13.621  -2.027
  454    HA   LEU  56           HA       LEU  56  -5.354 -12.427  -4.353
  455   1HB   LEU  56          1HB       LEU  56  -4.298 -14.970  -3.124
  456   2HB   LEU  56          2HB       LEU  56  -3.505 -14.137  -4.446
  457    HG   LEU  56           HG       LEU  56  -3.985 -13.008  -1.688
  458   1HD1  LEU  56          1HD1      LEU  56  -1.576 -13.166  -1.431
  459   2HD1  LEU  56          2HD1      LEU  56  -1.435 -13.881  -3.037
  460   3HD1  LEU  56          3HD1      LEU  56  -2.269 -14.755  -1.752
  461   1HD2  LEU  56          1HD2      LEU  56  -3.622 -11.666  -4.122
  462   2HD2  LEU  56          2HD2      LEU  56  -2.069 -11.594  -3.289
  463   3HD2  LEU  56          3HD2      LEU  56  -3.525 -10.992  -2.496
  464    H    SER  57           H        SER  57  -6.770 -15.634  -3.984
  465    HA   SER  57           HA       SER  57  -6.386 -16.530  -6.621
  466   1HB   SER  57          1HB       SER  57  -7.172 -18.367  -5.602
  467   2HB   SER  57          2HB       SER  57  -7.819 -17.411  -4.269
  468    HG   SER  57           HG       SER  57  -9.492 -18.489  -5.336
  469    H    ASP  58           H        ASP  58  -8.825 -14.489  -5.160
  470    HA   ASP  58           HA       ASP  58 -10.774 -14.567  -7.159
  471   1HB   ASP  58          1HB       ASP  58  -9.981 -12.393  -5.223
  472   2HB   ASP  58          2HB       ASP  58 -11.359 -12.240  -6.310
  473    H    TYR  59           H        TYR  59  -7.649 -13.144  -7.146
  474    HA   TYR  59           HA       TYR  59  -8.281 -11.524  -9.511
  475   1HB   TYR  59          1HB       TYR  59  -5.843 -11.517  -7.720
  476   2HB   TYR  59          2HB       TYR  59  -6.059 -10.483  -9.128
  477    HD1  TYR  59           HD1      TYR  59  -6.293 -10.579  -5.664
  478    HD2  TYR  59           HD2      TYR  59  -8.405  -9.146  -9.078
  479    HE1  TYR  59           HE1      TYR  59  -7.428  -8.910  -4.252
  480    HE2  TYR  59           HE2      TYR  59  -9.545  -7.470  -7.677
  481    HH   TYR  59           HH       TYR  59  -9.462  -6.409  -5.636
  482    H    ASN  60           H        ASN  60  -7.955 -14.488  -9.430
  483    HA   ASN  60           HA       ASN  60  -6.745 -16.177 -10.434
  484   1HB   ASN  60          1HB       ASN  60  -6.324 -15.420 -12.949
  485   2HB   ASN  60          2HB       ASN  60  -7.944 -15.744 -12.341
  486   1HD2  ASN  60          1HD2      ASN  60  -9.005 -13.772 -11.317
  487   2HD2  ASN  60          2HD2      ASN  60  -8.853 -12.291 -12.193
  488    H    LEU  61           H        LEU  61  -4.960 -15.075  -8.845
  489    HA   LEU  61           HA       LEU  61  -2.673 -14.067 -10.287
  490   1HB   LEU  61          1HB       LEU  61  -3.446 -14.441  -7.476
  491   2HB   LEU  61          2HB       LEU  61  -1.742 -14.697  -7.796
  492    HG   LEU  61           HG       LEU  61  -2.658 -12.273  -9.075
  493   1HD1  LEU  61          1HD1      LEU  61  -4.071 -12.731  -6.776
  494   2HD1  LEU  61          2HD1      LEU  61  -3.730 -11.147  -7.472
  495   3HD1  LEU  61          3HD1      LEU  61  -2.696 -11.791  -6.197
  496   1HD2  LEU  61          1HD2      LEU  61  -0.728 -12.530  -6.792
  497   2HD2  LEU  61          2HD2      LEU  61  -0.725 -11.366  -8.117
  498   3HD2  LEU  61          3HD2      LEU  61  -0.316 -13.052  -8.426
  499    H    GLN  62           H        GLN  62  -0.490 -15.116  -9.837
  500    HA   GLN  62           HA       GLN  62  -0.705 -18.049  -9.934
  501   1HB   GLN  62          1HB       GLN  62   1.326 -16.612 -11.603
  502   2HB   GLN  62          2HB       GLN  62   0.661 -18.226 -11.809
  503   1HG   GLN  62          1HG       GLN  62  -0.773 -17.437 -13.287
  504   2HG   GLN  62          2HG       GLN  62  -1.483 -16.409 -12.044
  505   1HE2  GLN  62          1HE2      GLN  62  -1.900 -14.706 -13.399
  506   2HE2  GLN  62          2HE2      GLN  62  -0.657 -13.728 -14.096
  507    H    LYS  63           H        LYS  63   1.910 -18.728 -10.129
  508    HA   LYS  63           HA       LYS  63   2.869 -18.119  -7.485
  509   1HB   LYS  63          1HB       LYS  63   3.033 -20.331  -9.007
  510   2HB   LYS  63          2HB       LYS  63   4.592 -19.611  -9.383
  511   1HG   LYS  63          1HG       LYS  63   5.346 -20.614  -7.552
  512   2HG   LYS  63          2HG       LYS  63   4.441 -19.405  -6.638
  513   1HD   LYS  63          1HD       LYS  63   3.095 -20.978  -5.831
  514   2HD   LYS  63          2HD       LYS  63   2.661 -21.481  -7.466
  515   1HE   LYS  63          1HE       LYS  63   3.789 -23.371  -7.182
  516   2HE   LYS  63          2HE       LYS  63   5.269 -22.448  -6.927
  517   1HZ   LYS  63          1HZ       LYS  63   4.842 -22.360  -4.600
  518   2HZ   LYS  63          2HZ       LYS  63   4.683 -23.974  -5.081
  519   3HZ   LYS  63          3HZ       LYS  63   3.304 -23.040  -4.784
  520    H    GLU  64           H        GLU  64   4.447 -16.748  -6.911
  521    HA   GLU  64           HA       GLU  64   5.985 -15.077  -7.040
  522   1HB   GLU  64          1HB       GLU  64   6.895 -16.206  -9.672
  523   2HB   GLU  64          2HB       GLU  64   7.851 -15.424  -8.421
  524   1HG   GLU  64          1HG       GLU  64   8.421 -17.444  -7.725
  525   2HG   GLU  64          2HG       GLU  64   6.761 -17.643  -7.166
  526    H    SER  65           H        SER  65   4.055 -13.705  -7.442
  527    HA   SER  65           HA       SER  65   3.954 -12.637 -10.176
  528   1HB   SER  65          1HB       SER  65   2.028 -12.202  -7.881
  529   2HB   SER  65          2HB       SER  65   1.816 -11.633  -9.536
  530    HG   SER  65           HG       SER  65   2.314 -14.311  -9.398
  531    H    THR  66           H        THR  66   3.779 -10.290 -10.433
  532    HA   THR  66           HA       THR  66   5.401  -8.882  -8.420
  533    HB   THR  66           HB       THR  66   5.105  -8.260 -11.364
  534    HG1  THR  66           HG1      THR  66   6.969  -9.757  -9.908
  535   1HG2  THR  66          1HG2      THR  66   7.420  -7.231  -9.909
  536   2HG2  THR  66          2HG2      THR  66   5.879  -6.514  -9.439
  537   3HG2  THR  66          3HG2      THR  66   6.400  -6.460 -11.123
  538    H    ILE  67           H        ILE  67   4.078  -7.753  -7.139
  539    HA   ILE  67           HA       ILE  67   1.813  -6.322  -8.350
  540    HB   ILE  67           HB       ILE  67   2.350  -7.094  -5.483
  541   1HG1  ILE  67          1HG1      ILE  67  -0.173  -7.836  -6.807
  542   2HG1  ILE  67          2HG1      ILE  67   1.263  -8.578  -7.507
  543   1HG2  ILE  67          1HG2      ILE  67  -0.026  -5.582  -6.550
  544   2HG2  ILE  67          2HG2      ILE  67   1.321  -4.839  -5.689
  545   3HG2  ILE  67          3HG2      ILE  67   0.296  -6.020  -4.872
  546   1HD1  ILE  67          1HD1      ILE  67   1.702  -9.813  -5.644
  547   2HD1  ILE  67          2HD1      ILE  67  -0.057  -9.729  -5.560
  548   3HD1  ILE  67          3HD1      ILE  67   0.926  -8.660  -4.559
  549    H    HIS  68           H        HIS  68   1.695  -4.146  -8.317
  550    HA   HIS  68           HA       HIS  68   4.041  -2.691  -7.395
  551   1HB   HIS  68          1HB       HIS  68   1.644  -1.834  -9.028
  552   2HB   HIS  68          2HB       HIS  68   2.969  -0.762  -8.583
  553    HD1  HIS  68           HD1      HIS  68   3.867  -0.365 -10.914
  554    HD2  HIS  68           HD2      HIS  68   3.585  -4.396  -9.945
  555    HE1  HIS  68           HE1      HIS  68   5.065  -1.584 -12.757
  556    HE2  HIS  68           HE2      HIS  68   4.812  -4.026 -12.191
  557    H    LEU  69           H        LEU  69   4.114  -1.690  -5.503
  558    HA   LEU  69           HA       LEU  69   1.609  -1.226  -4.053
  559   1HB   LEU  69          1HB       LEU  69   3.336  -2.555  -2.923
  560   2HB   LEU  69          2HB       LEU  69   4.460  -1.218  -3.067
  561    HG   LEU  69           HG       LEU  69   1.866  -1.015  -1.543
  562   1HD1  LEU  69          1HD1      LEU  69   3.514  -2.793  -0.710
  563   2HD1  LEU  69          2HD1      LEU  69   2.952  -1.580   0.441
  564   3HD1  LEU  69          3HD1      LEU  69   4.553  -1.433  -0.282
  565   1HD2  LEU  69          1HD2      LEU  69   4.168   0.755  -2.074
  566   2HD2  LEU  69          2HD2      LEU  69   3.540   0.754  -0.425
  567   3HD2  LEU  69          3HD2      LEU  69   2.474   1.147  -1.774
  568    H    VAL  70           H        VAL  70   0.773   0.713  -4.411
  569    HA   VAL  70           HA       VAL  70   2.593   3.028  -4.487
  570    HB   VAL  70           HB       VAL  70  -0.169   3.397  -5.458
  571   1HG1  VAL  70          1HG1      VAL  70   1.382   4.426  -7.353
  572   2HG1  VAL  70          2HG1      VAL  70   2.566   4.377  -6.047
  573   3HG1  VAL  70          3HG1      VAL  70   1.062   5.273  -5.839
  574   1HG2  VAL  70          1HG2      VAL  70   0.102   2.305  -7.543
  575   2HG2  VAL  70          2HG2      VAL  70   0.503   1.117  -6.303
  576   3HG2  VAL  70          3HG2      VAL  70   1.789   1.922  -7.202
  577    H    LEU  71           H        LEU  71   1.958   4.935  -3.407
  578    HA   LEU  71           HA       LEU  71   0.674   4.479  -0.904
  579   1HB   LEU  71          1HB       LEU  71   2.440   6.364  -1.935
  580   2HB   LEU  71          2HB       LEU  71   0.979   7.277  -1.618
  581    HG   LEU  71           HG       LEU  71   1.421   5.680   0.658
  582   1HD1  LEU  71          1HD1      LEU  71   3.622   5.371   0.752
  583   2HD1  LEU  71          2HD1      LEU  71   3.774   7.118   0.947
  584   3HD1  LEU  71          3HD1      LEU  71   3.895   6.396  -0.657
  585   1HD2  LEU  71          1HD2      LEU  71   0.944   8.385  -0.056
  586   2HD2  LEU  71          2HD2      LEU  71   2.265   8.343   1.112
  587   3HD2  LEU  71          3HD2      LEU  71   0.715   7.598   1.506
  588    H    ARG  72           H        ARG  72  -1.299   5.186  -0.153
  589    HA   ARG  72           HA       ARG  72  -3.520   5.093  -1.680
  590   1HB   ARG  72          1HB       ARG  72  -2.889   6.411   0.895
  591   2HB   ARG  72          2HB       ARG  72  -4.375   6.926   0.108
  592   1HG   ARG  72          1HG       ARG  72  -3.741   4.032   0.582
  593   2HG   ARG  72          2HG       ARG  72  -4.546   5.037   1.788
  594   1HD   ARG  72          1HD       ARG  72  -6.006   5.593  -0.437
  595   2HD   ARG  72          2HD       ARG  72  -5.568   3.909  -0.722
  596    HE   ARG  72           HE       ARG  72  -6.493   4.142   1.906
  597   1HH1  ARG  72          1HH1      ARG  72  -9.299   3.928  -0.941
  598   2HH1  ARG  72          2HH1      ARG  72  -7.687   4.407  -1.354
  599   1HH2  ARG  72          1HH2      ARG  72  -8.613   3.510   2.462
  600   2HH2  ARG  72          2HH2      ARG  72  -9.826   3.418   1.229
  601    H    LEU  73           H        LEU  73  -4.712   6.397  -2.987
  602    HA   LEU  73           HA       LEU  73  -3.512   8.396  -4.462
  603   1HB   LEU  73          1HB       LEU  73  -5.883   9.071  -5.063
  604   2HB   LEU  73          2HB       LEU  73  -5.432   7.407  -5.375
  605    HG   LEU  73           HG       LEU  73  -7.745   8.020  -4.265
  606   1HD1  LEU  73          1HD1      LEU  73  -5.992   5.729  -4.189
  607   2HD1  LEU  73          2HD1      LEU  73  -7.742   5.803  -4.392
  608   3HD1  LEU  73          3HD1      LEU  73  -7.042   5.783  -2.773
  609   1HD2  LEU  73          1HD2      LEU  73  -7.712   7.943  -1.864
  610   2HD2  LEU  73          2HD2      LEU  73  -6.685   9.269  -2.408
  611   3HD2  LEU  73          3HD2      LEU  73  -5.958   7.760  -1.854
  612    H    ARG  74           H        ARG  74  -4.889  10.657  -4.615
  613    HA   ARG  74           HA       ARG  74  -5.214  12.722  -3.715
  614   1HB   ARG  74          1HB       ARG  74  -6.704  11.364  -2.140
  615   2HB   ARG  74          2HB       ARG  74  -5.371  11.432  -0.996
  616   1HG   ARG  74          1HG       ARG  74  -5.643  14.054  -1.702
  617   2HG   ARG  74          2HG       ARG  74  -7.310  13.480  -1.750
  618   1HD   ARG  74          1HD       ARG  74  -6.155  12.389   0.571
  619   2HD   ARG  74          2HD       ARG  74  -5.661  14.081   0.517
  620    HE   ARG  74           HE       ARG  74  -8.478  13.585   0.059
  621   1HH1  ARG  74          1HH1      ARG  74  -7.073  15.063   3.504
  622   2HH1  ARG  74          2HH1      ARG  74  -5.980  14.363   2.358
  623   1HH2  ARG  74          1HH2      ARG  74  -9.926  14.505   1.561
  624   2HH2  ARG  74          2HH2      ARG  74  -9.318  15.143   3.051
  625    H    GLY  75           H        GLY  75  -3.618  14.147  -3.584
  626   1HA   GLY  75          1HA       GLY  75  -1.599  13.904  -1.507
  627   2HA   GLY  75          2HA       GLY  75  -1.005  13.769  -3.154
  628    H    GLY  76           H        GLY  76  -2.546  15.894  -0.821
  629   1HA   GLY  76          1HA       GLY  76  -2.284  18.182  -0.579
  630   2HA   GLY  76          2HA       GLY  76  -1.249  18.178  -1.998
  Start of MODEL   16
    1   1H    MET   1          1H        MET   1   3.708 -20.206  -1.221
    2   2H    MET   1          2H        MET   1   2.517 -20.988  -2.177
    3   3H    MET   1          3H        MET   1   2.309 -19.349  -1.713
    4    HA   MET   1           HA       MET   1   4.358 -20.441  -3.520
    5   1HB   MET   1          1HB       MET   1   3.149 -19.000  -5.164
    6   2HB   MET   1          2HB       MET   1   2.183 -20.333  -4.548
    7   1HG   MET   1          1HG       MET   1   0.786 -18.962  -3.367
    8   2HG   MET   1          2HG       MET   1   1.994 -17.690  -3.201
    9   1HE   MET   1          1HE       MET   1  -0.997 -16.323  -4.392
   10   2HE   MET   1          2HE       MET   1  -1.033 -18.013  -3.890
   11   3HE   MET   1          3HE       MET   1  -1.524 -17.569  -5.524
   12    H    GLN   2           H        GLN   2   5.518 -18.662  -4.659
   13    HA   GLN   2           HA       GLN   2   6.302 -16.623  -2.713
   14   1HB   GLN   2          1HB       GLN   2   7.771 -18.278  -4.395
   15   2HB   GLN   2          2HB       GLN   2   7.858 -16.704  -5.171
   16   1HG   GLN   2          1HG       GLN   2   9.433 -16.099  -3.751
   17   2HG   GLN   2          2HG       GLN   2   8.301 -16.298  -2.415
   18   1HE2  GLN   2          1HE2      GLN   2  10.013 -16.964  -1.077
   19   2HE2  GLN   2          2HE2      GLN   2  10.680 -18.554  -1.194
   20    H    LEU   3           H        LEU   3   6.041 -14.483  -3.034
   21    HA   LEU   3           HA       LEU   3   4.944 -13.614  -5.626
   22   1HB   LEU   3          1HB       LEU   3   4.095 -12.759  -2.860
   23   2HB   LEU   3          2HB       LEU   3   3.609 -11.931  -4.328
   24    HG   LEU   3           HG       LEU   3   2.989 -14.826  -3.741
   25   1HD1  LEU   3          1HD1      LEU   3   1.422 -12.316  -3.245
   26   2HD1  LEU   3          2HD1      LEU   3   1.771 -13.638  -2.132
   27   3HD1  LEU   3          3HD1      LEU   3   0.638 -13.881  -3.461
   28   1HD2  LEU   3          1HD2      LEU   3   1.793 -14.876  -5.691
   29   2HD2  LEU   3          2HD2      LEU   3   3.092 -13.774  -6.153
   30   3HD2  LEU   3          3HD2      LEU   3   1.513 -13.134  -5.693
   31    H    PHE   4           H        PHE   4   5.655 -11.671  -6.426
   32    HA   PHE   4           HA       PHE   4   7.941 -10.486  -5.008
   33   1HB   PHE   4          1HB       PHE   4   7.201 -10.332  -7.938
   34   2HB   PHE   4          2HB       PHE   4   8.639  -9.628  -7.205
   35    HD1  PHE   4           HD1      PHE   4   6.933 -12.957  -7.195
   36    HD2  PHE   4           HD2      PHE   4  10.575 -10.778  -7.609
   37    HE1  PHE   4           HE1      PHE   4   8.149 -15.069  -7.569
   38    HE2  PHE   4           HE2      PHE   4  11.798 -12.886  -7.984
   39    HZ   PHE   4           HZ       PHE   4  10.584 -15.033  -7.966
   40    H    VAL   5           H        VAL   5   7.428  -8.723  -3.895
   41    HA   VAL   5           HA       VAL   5   5.376  -6.911  -4.976
   42    HB   VAL   5           HB       VAL   5   6.414  -7.002  -2.143
   43   1HG1  VAL   5          1HG1      VAL   5   3.896  -5.750  -3.222
   44   2HG1  VAL   5          2HG1      VAL   5   5.404  -4.868  -2.977
   45   3HG1  VAL   5          3HG1      VAL   5   4.571  -5.591  -1.601
   46   1HG2  VAL   5          1HG2      VAL   5   4.059  -8.001  -1.754
   47   2HG2  VAL   5          2HG2      VAL   5   5.348  -9.055  -2.336
   48   3HG2  VAL   5          3HG2      VAL   5   4.140  -8.435  -3.461
   49    H    LYS   6           H        LYS   6   6.060  -5.083  -5.857
   50    HA   LYS   6           HA       LYS   6   8.713  -4.056  -5.105
   51   1HB   LYS   6          1HB       LYS   6   8.355  -2.715  -7.311
   52   2HB   LYS   6          2HB       LYS   6   8.817  -4.410  -7.392
   53   1HG   LYS   6          1HG       LYS   6   6.491  -5.033  -7.785
   54   2HG   LYS   6          2HG       LYS   6   6.020  -3.333  -7.693
   55   1HD   LYS   6          1HD       LYS   6   7.757  -4.662  -9.762
   56   2HD   LYS   6          2HD       LYS   6   6.193  -3.880 -10.000
   57   1HE   LYS   6          1HE       LYS   6   7.353  -1.759  -9.133
   58   2HE   LYS   6          2HE       LYS   6   8.858  -2.624  -9.434
   59   1HZ   LYS   6          1HZ       LYS   6   6.948  -2.640 -11.617
   60   2HZ   LYS   6          2HZ       LYS   6   8.626  -2.430 -11.647
   61   3HZ   LYS   6          3HZ       LYS   6   7.618  -1.129 -11.255
   62    H    THR   7           H        THR   7   8.939  -1.649  -5.228
   63    HA   THR   7           HA       THR   7   6.506  -0.335  -4.207
   64    HB   THR   7           HB       THR   7   8.110   1.134  -2.909
   65    HG1  THR   7           HG1      THR   7  10.188   0.366  -2.625
   66   1HG2  THR   7          1HG2      THR   7   7.831  -1.780  -2.305
   67   2HG2  THR   7          2HG2      THR   7   7.025  -0.403  -1.555
   68   3HG2  THR   7          3HG2      THR   7   8.734  -0.704  -1.238
   69    H    LEU   8           H        LEU   8   7.028   2.216  -4.223
   70    HA   LEU   8           HA       LEU   8   7.223   2.874  -7.017
   71   1HB   LEU   8          1HB       LEU   8   6.066   4.029  -4.700
   72   2HB   LEU   8          2HB       LEU   8   7.192   5.201  -5.357
   73    HG   LEU   8           HG       LEU   8   4.923   3.909  -6.876
   74   1HD1  LEU   8          1HD1      LEU   8   5.254   6.658  -5.693
   75   2HD1  LEU   8          2HD1      LEU   8   4.039   5.449  -5.278
   76   3HD1  LEU   8          3HD1      LEU   8   4.004   6.227  -6.859
   77   1HD2  LEU   8          1HD2      LEU   8   5.681   6.065  -8.321
   78   2HD2  LEU   8          2HD2      LEU   8   6.230   4.418  -8.630
   79   3HD2  LEU   8          3HD2      LEU   8   7.237   5.521  -7.693
   80    H    THR   9           H        THR   9   9.458   2.515  -4.555
   81    HA   THR   9           HA       THR   9  11.273   4.574  -5.538
   82    HB   THR   9           HB       THR   9  12.746   3.331  -3.687
   83    HG1  THR   9           HG1      THR   9  11.640   1.987  -2.547
   84   1HG2  THR   9          1HG2      THR   9  12.427   5.159  -2.472
   85   2HG2  THR   9          2HG2      THR   9  10.699   4.846  -2.302
   86   3HG2  THR   9          3HG2      THR   9  11.309   5.670  -3.737
   87    H    GLY  10           H        GLY  10  10.682   1.191  -5.845
   88   1HA   GLY  10          1HA       GLY  10  11.647   0.091  -7.793
   89   2HA   GLY  10          2HA       GLY  10  13.140   0.957  -7.465
   90    H    LYS  11           H        LYS  11  11.579  -0.205  -4.678
   91    HA   LYS  11           HA       LYS  11  13.648  -2.241  -4.364
   92   1HB   LYS  11          1HB       LYS  11  12.698  -0.377  -2.626
   93   2HB   LYS  11          2HB       LYS  11  11.742  -1.777  -2.161
   94   1HG   LYS  11          1HG       LYS  11  14.297  -2.789  -2.374
   95   2HG   LYS  11          2HG       LYS  11  14.537  -1.188  -1.674
   96   1HD   LYS  11          1HD       LYS  11  14.213  -2.487   0.209
   97   2HD   LYS  11          2HD       LYS  11  12.586  -1.876  -0.098
   98   1HE   LYS  11          1HE       LYS  11  11.783  -3.916  -0.609
   99   2HE   LYS  11          2HE       LYS  11  13.244  -4.383  -1.478
  100   1HZ   LYS  11          1HZ       LYS  11  13.640  -4.150   1.356
  101   2HZ   LYS  11          2HZ       LYS  11  14.046  -5.415   0.309
  102   3HZ   LYS  11          3HZ       LYS  11  12.483  -5.318   0.951
  103    H    THR  12           H        THR  12  13.263  -4.358  -4.507
  104    HA   THR  12           HA       THR  12  10.455  -5.243  -4.609
  105    HB   THR  12           HB       THR  12  12.798  -6.649  -5.889
  106    HG1  THR  12           HG1      THR  12  12.391  -5.564  -7.721
  107   1HG2  THR  12          1HG2      THR  12  10.616  -7.884  -5.481
  108   2HG2  THR  12          2HG2      THR  12  11.249  -7.877  -7.126
  109   3HG2  THR  12          3HG2      THR  12   9.917  -6.807  -6.689
  110    H    LEU  13           H        LEU  13   9.792  -6.783  -3.236
  111    HA   LEU  13           HA       LEU  13  11.834  -8.229  -1.682
  112   1HB   LEU  13          1HB       LEU  13  10.412  -8.051   0.298
  113   2HB   LEU  13          2HB       LEU  13  10.898  -6.472  -0.290
  114    HG   LEU  13           HG       LEU  13   8.562  -6.585  -1.529
  115   1HD1  LEU  13          1HD1      LEU  13   7.375  -7.799   0.763
  116   2HD1  LEU  13          2HD1      LEU  13   8.502  -8.937   0.025
  117   3HD1  LEU  13          3HD1      LEU  13   7.203  -8.233  -0.938
  118   1HD2  LEU  13          1HD2      LEU  13   9.533  -5.162   0.506
  119   2HD2  LEU  13          2HD2      LEU  13   8.285  -6.062   1.368
  120   3HD2  LEU  13          3HD2      LEU  13   7.852  -5.059  -0.016
  121    H    THR  14           H        THR  14  11.454 -10.366  -1.287
  122    HA   THR  14           HA       THR  14   9.228 -11.560  -2.758
  123    HB   THR  14           HB       THR  14  11.803 -12.664  -1.648
  124    HG1  THR  14           HG1      THR  14  11.471 -11.570  -3.820
  125   1HG2  THR  14          1HG2      THR  14   9.380 -14.148  -2.504
  126   2HG2  THR  14          2HG2      THR  14  10.575 -14.542  -1.268
  127   3HG2  THR  14          3HG2      THR  14  10.963 -14.765  -2.974
  128    H    VAL  15           H        VAL  15   7.463 -12.229  -1.745
  129    HA   VAL  15           HA       VAL  15   7.651 -12.909   1.118
  130    HB   VAL  15           HB       VAL  15   5.090 -12.255   1.000
  131   1HG1  VAL  15          1HG1      VAL  15   7.531 -10.683   1.535
  132   2HG1  VAL  15          2HG1      VAL  15   6.172 -11.068   2.592
  133   3HG1  VAL  15          3HG1      VAL  15   6.026  -9.772   1.403
  134   1HG2  VAL  15          1HG2      VAL  15   4.427 -10.823  -0.625
  135   2HG2  VAL  15          2HG2      VAL  15   5.675 -11.661  -1.546
  136   3HG2  VAL  15          3HG2      VAL  15   6.029 -10.104  -0.798
  137    H    GLU  16           H        GLU  16   6.398 -14.633   1.868
  138    HA   GLU  16           HA       GLU  16   5.473 -16.453  -0.248
  139   1HB   GLU  16          1HB       GLU  16   7.060 -16.828   2.124
  140   2HB   GLU  16          2HB       GLU  16   5.621 -17.835   2.206
  141   1HG   GLU  16          1HG       GLU  16   6.540 -18.180  -0.382
  142   2HG   GLU  16          2HG       GLU  16   8.005 -18.134   0.600
  143    H    LEU  17           H        LEU  17   3.352 -16.549  -0.514
  144    HA   LEU  17           HA       LEU  17   1.618 -16.606   1.842
  145   1HB   LEU  17          1HB       LEU  17   1.396 -14.695  -0.466
  146   2HB   LEU  17          2HB       LEU  17  -0.007 -15.136   0.489
  147    HG   LEU  17           HG       LEU  17   2.465 -14.021   1.786
  148   1HD1  LEU  17          1HD1      LEU  17   0.454 -12.621   0.147
  149   2HD1  LEU  17          2HD1      LEU  17   2.119 -12.181   0.529
  150   3HD1  LEU  17          3HD1      LEU  17   0.836 -11.888   1.705
  151   1HD2  LEU  17          1HD2      LEU  17   1.112 -13.633   3.622
  152   2HD2  LEU  17          2HD2      LEU  17   0.497 -15.169   3.014
  153   3HD2  LEU  17          3HD2      LEU  17  -0.371 -13.674   2.668
  154    H    GLU  18           H        GLU  18  -0.788 -16.923   0.880
  155    HA   GLU  18           HA       GLU  18  -0.615 -19.025  -1.174
  156   1HB   GLU  18          1HB       GLU  18  -2.405 -19.115   1.257
  157   2HB   GLU  18          2HB       GLU  18  -2.203 -20.373   0.045
  158   1HG   GLU  18          1HG       GLU  18   0.292 -19.573   1.320
  159   2HG   GLU  18          2HG       GLU  18  -0.897 -20.231   2.441
  160    HA   PRO  19           HA       PRO  19  -3.821 -17.011  -3.400
  161   1HB   PRO  19          1HB       PRO  19  -5.105 -19.669  -3.702
  162   2HB   PRO  19          2HB       PRO  19  -4.567 -18.532  -4.941
  163   1HG   PRO  19          1HG       PRO  19  -3.199 -20.768  -4.448
  164   2HG   PRO  19          2HG       PRO  19  -2.367 -19.251  -4.833
  165   1HD   PRO  19          1HD       PRO  19  -2.742 -20.590  -2.184
  166   2HD   PRO  19          2HD       PRO  19  -1.328 -19.726  -2.822
  167    H    SER  20           H        SER  20  -4.523 -19.004  -0.674
  168    HA   SER  20           HA       SER  20  -7.322 -18.237  -0.569
  169   1HB   SER  20          1HB       SER  20  -7.555 -19.778   1.186
  170   2HB   SER  20          2HB       SER  20  -6.337 -20.519   0.149
  171    HG   SER  20           HG       SER  20  -4.805 -20.085   1.600
  172    H    ASP  21           H        ASP  21  -4.539 -16.681   0.131
  173    HA   ASP  21           HA       ASP  21  -5.136 -15.602   2.710
  174   1HB   ASP  21          1HB       ASP  21  -3.103 -15.094   0.592
  175   2HB   ASP  21          2HB       ASP  21  -3.391 -13.816   1.770
  176    H    THR  22           H        THR  22  -5.592 -13.334   3.139
  177    HA   THR  22           HA       THR  22  -7.368 -12.184   1.090
  178    HB   THR  22           HB       THR  22  -8.516 -11.055   2.995
  179    HG1  THR  22           HG1      THR  22  -7.897 -11.394   5.010
  180   1HG2  THR  22          1HG2      THR  22  -9.922 -12.755   3.299
  181   2HG2  THR  22          2HG2      THR  22  -8.657 -13.824   3.903
  182   3HG2  THR  22          3HG2      THR  22  -8.881 -13.618   2.166
  183    H    VAL  23           H        VAL  23  -7.530  -9.816   1.064
  184    HA   VAL  23           HA       VAL  23  -5.138  -8.545   0.630
  185    HB   VAL  23           HB       VAL  23  -7.730  -7.278   1.524
  186   1HG1  VAL  23          1HG1      VAL  23  -6.827  -5.247   1.306
  187   2HG1  VAL  23          2HG1      VAL  23  -5.961  -5.696  -0.164
  188   3HG1  VAL  23          3HG1      VAL  23  -5.267  -6.064   1.416
  189   1HG2  VAL  23          1HG2      VAL  23  -6.659  -7.450  -1.277
  190   2HG2  VAL  23          2HG2      VAL  23  -8.296  -7.064  -0.744
  191   3HG2  VAL  23          3HG2      VAL  23  -7.683  -8.710  -0.588
  192    H    GLU  24           H        GLU  24  -7.091  -8.477   3.599
  193    HA   GLU  24           HA       GLU  24  -5.578  -6.725   5.105
  194   1HB   GLU  24          1HB       GLU  24  -7.302  -9.070   5.800
  195   2HB   GLU  24          2HB       GLU  24  -6.371  -8.283   7.067
  196   1HG   GLU  24          1HG       GLU  24  -7.475  -6.117   6.023
  197   2HG   GLU  24          2HG       GLU  24  -8.691  -7.289   5.515
  198    H    ASN  25           H        ASN  25  -5.099 -10.188   4.581
  199    HA   ASN  25           HA       ASN  25  -2.989 -10.553   6.399
  200   1HB   ASN  25          1HB       ASN  25  -3.693 -12.012   3.847
  201   2HB   ASN  25          2HB       ASN  25  -2.420 -12.538   4.944
  202   1HD2  ASN  25          1HD2      ASN  25  -3.263 -12.510   7.338
  203   2HD2  ASN  25          2HD2      ASN  25  -4.753 -13.352   7.571
  204    H    LEU  26           H        LEU  26  -2.802 -10.211   2.847
  205    HA   LEU  26           HA       LEU  26  -0.075 -10.010   2.583
  206   1HB   LEU  26          1HB       LEU  26  -1.387 -10.122   0.617
  207   2HB   LEU  26          2HB       LEU  26  -2.302  -8.691   1.051
  208    HG   LEU  26           HG       LEU  26  -0.483  -7.250   0.527
  209   1HD1  LEU  26          1HD1      LEU  26   1.684  -7.812   0.539
  210   2HD1  LEU  26          2HD1      LEU  26   1.407  -9.297  -0.371
  211   3HD1  LEU  26          3HD1      LEU  26   1.139  -9.267   1.372
  212   1HD2  LEU  26          1HD2      LEU  26  -1.690  -7.912  -1.419
  213   2HD2  LEU  26          2HD2      LEU  26  -0.798  -9.430  -1.527
  214   3HD2  LEU  26          3HD2      LEU  26   0.024  -7.901  -1.836
  215    H    LYS  27           H        LYS  27  -2.384  -7.445   3.364
  216    HA   LYS  27           HA       LYS  27  -0.635  -5.274   3.341
  217   1HB   LYS  27          1HB       LYS  27  -2.939  -5.632   5.261
  218   2HB   LYS  27          2HB       LYS  27  -2.259  -4.117   4.682
  219   1HG   LYS  27          1HG       LYS  27  -3.151  -5.798   2.500
  220   2HG   LYS  27          2HG       LYS  27  -4.447  -5.452   3.648
  221   1HD   LYS  27          1HD       LYS  27  -4.605  -3.337   2.960
  222   2HD   LYS  27          2HD       LYS  27  -2.861  -3.096   3.080
  223   1HE   LYS  27          1HE       LYS  27  -2.566  -3.367   0.881
  224   2HE   LYS  27          2HE       LYS  27  -3.622  -4.777   0.829
  225   1HZ   LYS  27          1HZ       LYS  27  -5.515  -3.414   0.607
  226   2HZ   LYS  27          2HZ       LYS  27  -4.380  -2.802  -0.487
  227   3HZ   LYS  27          3HZ       LYS  27  -4.655  -2.005   0.979
  228    H    ALA  28           H        ALA  28  -1.460  -7.525   5.952
  229    HA   ALA  28           HA       ALA  28  -0.029  -6.355   8.023
  230   1HB   ALA  28          1HB       ALA  28   0.259  -8.947   8.644
  231   2HB   ALA  28          2HB       ALA  28  -1.002  -9.083   7.419
  232   3HB   ALA  28          3HB       ALA  28  -1.260  -8.073   8.842
  233    H    LYS  29           H        LYS  29   1.045  -8.583   5.496
  234    HA   LYS  29           HA       LYS  29   3.653  -9.012   6.436
  235   1HB   LYS  29          1HB       LYS  29   2.578  -9.004   3.610
  236   2HB   LYS  29          2HB       LYS  29   4.176  -9.585   4.060
  237   1HG   LYS  29          1HG       LYS  29   1.955 -10.767   5.572
  238   2HG   LYS  29          2HG       LYS  29   1.983 -11.145   3.848
  239   1HD   LYS  29          1HD       LYS  29   3.783 -12.467   4.050
  240   2HD   LYS  29          2HD       LYS  29   4.599 -11.341   5.138
  241   1HE   LYS  29          1HE       LYS  29   2.294 -13.024   6.064
  242   2HE   LYS  29          2HE       LYS  29   3.942 -13.650   6.050
  243   1HZ   LYS  29          1HZ       LYS  29   3.867 -12.792   8.135
  244   2HZ   LYS  29          2HZ       LYS  29   2.756 -11.580   7.739
  245   3HZ   LYS  29          3HZ       LYS  29   4.384 -11.405   7.316
  246    H    ILE  30           H        ILE  30   2.323  -6.540   4.280
  247    HA   ILE  30           HA       ILE  30   4.820  -5.272   3.762
  248    HB   ILE  30           HB       ILE  30   2.086  -4.011   3.565
  249   1HG1  ILE  30          1HG1      ILE  30   3.573  -5.753   1.590
  250   2HG1  ILE  30          2HG1      ILE  30   2.009  -6.082   2.330
  251   1HG2  ILE  30          1HG2      ILE  30   3.699  -3.117   1.500
  252   2HG2  ILE  30          2HG2      ILE  30   4.777  -3.175   2.895
  253   3HG2  ILE  30          3HG2      ILE  30   3.288  -2.234   2.970
  254   1HD1  ILE  30          1HD1      ILE  30   1.666  -3.637   1.083
  255   2HD1  ILE  30          2HD1      ILE  30   1.100  -5.207   0.512
  256   3HD1  ILE  30          3HD1      ILE  30   2.650  -4.572  -0.043
  257    H    GLN  31           H        GLN  31   2.636  -5.219   6.395
  258    HA   GLN  31           HA       GLN  31   3.542  -2.642   7.388
  259   1HB   GLN  31          1HB       GLN  31   1.161  -3.467   7.617
  260   2HB   GLN  31          2HB       GLN  31   1.760  -4.633   8.790
  261   1HG   GLN  31          1HG       GLN  31   2.590  -2.778  10.175
  262   2HG   GLN  31          2HG       GLN  31   1.909  -1.636   9.018
  263   1HE2  GLN  31          1HE2      GLN  31   0.668  -4.648  10.414
  264   2HE2  GLN  31          2HE2      GLN  31  -0.778  -3.955  11.059
  265    H    ASP  32           H        ASP  32   4.166  -6.025   7.848
  266    HA   ASP  32           HA       ASP  32   5.656  -5.591  10.299
  267   1HB   ASP  32          1HB       ASP  32   4.387  -7.811   9.071
  268   2HB   ASP  32          2HB       ASP  32   6.093  -8.195   9.260
  269    H    LYS  33           H        LYS  33   6.238  -5.355   7.013
  270    HA   LYS  33           HA       LYS  33   9.131  -5.745   7.417
  271   1HB   LYS  33          1HB       LYS  33   7.367  -6.352   5.072
  272   2HB   LYS  33          2HB       LYS  33   9.064  -5.975   4.810
  273   1HG   LYS  33          1HG       LYS  33   9.762  -7.845   6.102
  274   2HG   LYS  33          2HG       LYS  33   8.118  -8.142   6.667
  275   1HD   LYS  33          1HD       LYS  33   8.158  -8.109   3.803
  276   2HD   LYS  33          2HD       LYS  33   9.392  -9.220   4.398
  277   1HE   LYS  33          1HE       LYS  33   6.613  -9.273   5.512
  278   2HE   LYS  33          2HE       LYS  33   6.995 -10.104   4.005
  279   1HZ   LYS  33          1HZ       LYS  33   8.473 -11.529   5.083
  280   2HZ   LYS  33          2HZ       LYS  33   7.156 -11.435   6.140
  281   3HZ   LYS  33          3HZ       LYS  33   8.566 -10.560   6.467
  282    H    GLU  34           H        GLU  34   6.819  -3.982   5.346
  283    HA   GLU  34           HA       GLU  34   8.751  -1.829   5.014
  284   1HB   GLU  34          1HB       GLU  34   5.974  -2.103   3.852
  285   2HB   GLU  34          2HB       GLU  34   7.196  -0.931   3.375
  286   1HG   GLU  34          1HG       GLU  34   7.878  -3.815   3.204
  287   2HG   GLU  34          2HG       GLU  34   6.774  -3.140   2.005
  288    H    GLY  35           H        GLY  35   6.546  -2.621   7.304
  289   1HA   GLY  35          1HA       GLY  35   5.390  -1.459   8.908
  290   2HA   GLY  35          2HA       GLY  35   6.643  -0.248   8.696
  291    H    ILE  36           H        ILE  36   4.341  -1.218   6.220
  292    HA   ILE  36           HA       ILE  36   3.265   1.519   6.270
  293    HB   ILE  36           HB       ILE  36   3.329  -0.492   4.020
  294   1HG1  ILE  36          1HG1      ILE  36   4.754   2.141   4.453
  295   2HG1  ILE  36          2HG1      ILE  36   5.490   0.542   4.405
  296   1HG2  ILE  36          1HG2      ILE  36   2.370   1.312   2.643
  297   2HG2  ILE  36          2HG2      ILE  36   2.168   2.289   4.097
  298   3HG2  ILE  36          3HG2      ILE  36   1.274   0.779   3.918
  299   1HD1  ILE  36          1HD1      ILE  36   4.717   0.358   2.036
  300   2HD1  ILE  36          2HD1      ILE  36   5.933   1.600   2.335
  301   3HD1  ILE  36          3HD1      ILE  36   4.240   2.053   2.132
  302    HA   PRO  37           HA       PRO  37  -0.484  -0.290   7.901
  303   1HB   PRO  37          1HB       PRO  37  -1.602   2.346   7.146
  304   2HB   PRO  37          2HB       PRO  37  -1.587   1.539   8.716
  305   1HG   PRO  37          1HG       PRO  37  -0.004   3.635   8.228
  306   2HG   PRO  37          2HG       PRO  37   0.551   2.274   9.221
  307   1HD   PRO  37          1HD       PRO  37   1.181   2.917   6.366
  308   2HD   PRO  37          2HD       PRO  37   2.249   2.300   7.644
  309    HA   PRO  38           HA       PRO  38  -2.696  -1.667   4.346
  310   1HB   PRO  38          1HB       PRO  38  -5.159  -1.447   5.980
  311   2HB   PRO  38          2HB       PRO  38  -4.459  -2.859   5.180
  312   1HG   PRO  38          1HG       PRO  38  -4.342  -2.577   7.835
  313   2HG   PRO  38          2HG       PRO  38  -2.994  -3.284   6.923
  314   1HD   PRO  38          1HD       PRO  38  -3.278  -0.531   8.063
  315   2HD   PRO  38          2HD       PRO  38  -1.851  -1.589   8.010
  316    H    ASP  39           H        ASP  39  -4.291   0.922   6.199
  317    HA   ASP  39           HA       ASP  39  -5.973   1.844   4.162
  318   1HB   ASP  39          1HB       ASP  39  -5.819   2.450   6.721
  319   2HB   ASP  39          2HB       ASP  39  -4.799   3.762   6.136
  320    H    GLN  40           H        GLN  40  -2.585   2.149   4.571
  321    HA   GLN  40           HA       GLN  40  -2.468   4.286   2.552
  322   1HB   GLN  40          1HB       GLN  40  -0.078   3.379   4.108
  323   2HB   GLN  40          2HB       GLN  40  -0.420   4.959   3.415
  324   1HG   GLN  40          1HG       GLN  40  -2.416   4.750   5.234
  325   2HG   GLN  40          2HG       GLN  40  -1.129   3.850   6.033
  326   1HE2  GLN  40          1HE2      GLN  40   1.107   5.112   5.497
  327   2HE2  GLN  40          2HE2      GLN  40   1.069   6.759   6.019
  328    H    GLN  41           H        GLN  41  -2.886   1.321   2.178
  329    HA   GLN  41           HA       GLN  41  -0.523   0.759   0.513
  330   1HB   GLN  41          1HB       GLN  41  -2.409  -0.993   2.028
  331   2HB   GLN  41          2HB       GLN  41  -1.644  -1.630   0.579
  332   1HG   GLN  41          1HG       GLN  41   0.554  -1.162   1.529
  333   2HG   GLN  41          2HG       GLN  41  -0.211  -0.517   2.981
  334   1HE2  GLN  41          1HE2      GLN  41  -0.219  -1.871   4.608
  335   2HE2  GLN  41          2HE2      GLN  41  -0.314  -3.593   4.511
  336    H    ARG  42           H        ARG  42  -0.735   0.522  -1.632
  337    HA   ARG  42           HA       ARG  42  -3.402   0.176  -2.787
  338   1HB   ARG  42          1HB       ARG  42  -2.778   2.638  -2.686
  339   2HB   ARG  42          2HB       ARG  42  -1.495   2.268  -3.831
  340   1HG   ARG  42          1HG       ARG  42  -3.255   1.373  -5.373
  341   2HG   ARG  42          2HG       ARG  42  -4.460   2.021  -4.257
  342   1HD   ARG  42          1HD       ARG  42  -4.238   4.055  -5.118
  343   2HD   ARG  42          2HD       ARG  42  -2.498   4.027  -4.836
  344    HE   ARG  42           HE       ARG  42  -2.183   3.547  -7.051
  345   1HH1  ARG  42          1HH1      ARG  42  -6.013   2.713  -7.863
  346   2HH1  ARG  42          2HH1      ARG  42  -5.517   2.980  -6.224
  347   1HH2  ARG  42          1HH2      ARG  42  -2.824   3.198  -9.212
  348   2HH2  ARG  42          2HH2      ARG  42  -4.481   2.837  -9.562
  349    H    LEU  43           H        LEU  43  -2.717  -1.940  -3.288
  350    HA   LEU  43           HA       LEU  43  -0.425  -2.269  -5.048
  351   1HB   LEU  43          1HB       LEU  43  -2.360  -4.296  -3.924
  352   2HB   LEU  43          2HB       LEU  43  -0.933  -4.679  -4.869
  353    HG   LEU  43           HG       LEU  43  -0.638  -3.109  -2.341
  354   1HD1  LEU  43          1HD1      LEU  43  -2.071  -5.190  -1.971
  355   2HD1  LEU  43          2HD1      LEU  43  -0.623  -5.009  -0.981
  356   3HD1  LEU  43          3HD1      LEU  43  -0.616  -6.107  -2.360
  357   1HD2  LEU  43          1HD2      LEU  43   1.503  -4.459  -2.321
  358   2HD2  LEU  43          2HD2      LEU  43   1.340  -3.274  -3.618
  359   3HD2  LEU  43          3HD2      LEU  43   1.075  -4.986  -3.949
  360    H    ILE  44           H        ILE  44  -0.514  -2.613  -7.191
  361    HA   ILE  44           HA       ILE  44  -3.180  -2.884  -8.421
  362    HB   ILE  44           HB       ILE  44  -0.875  -1.549  -9.806
  363   1HG1  ILE  44          1HG1      ILE  44  -1.212  -0.306  -7.734
  364   2HG1  ILE  44          2HG1      ILE  44  -1.817   0.626  -9.101
  365   1HG2  ILE  44          1HG2      ILE  44  -3.505  -2.278 -10.526
  366   2HG2  ILE  44          2HG2      ILE  44  -2.321  -1.384 -11.478
  367   3HG2  ILE  44          3HG2      ILE  44  -3.454  -0.517 -10.442
  368   1HD1  ILE  44          1HD1      ILE  44  -4.105  -0.219  -8.540
  369   2HD1  ILE  44          2HD1      ILE  44  -3.378   0.855  -7.344
  370   3HD1  ILE  44          3HD1      ILE  44  -3.415  -0.885  -7.059
  371    H    PHE  45           H        PHE  45  -2.781  -5.202  -8.307
  372    HA   PHE  45           HA       PHE  45  -0.646  -6.542  -9.459
  373   1HB   PHE  45          1HB       PHE  45  -2.202  -7.785  -8.152
  374   2HB   PHE  45          2HB       PHE  45  -3.550  -7.314  -9.182
  375    HD1  PHE  45           HD1      PHE  45  -4.331  -8.849 -10.699
  376    HD2  PHE  45           HD2      PHE  45  -0.263  -9.071  -9.436
  377    HE1  PHE  45           HE1      PHE  45  -4.034 -10.904 -12.029
  378    HE2  PHE  45           HE2      PHE  45   0.041 -11.125 -10.764
  379    HZ   PHE  45           HZ       PHE  45  -1.845 -12.043 -12.062
  380    H    ALA  46           H        ALA  46  -0.019  -5.475 -11.357
  381    HA   ALA  46           HA       ALA  46   0.038  -5.015 -13.588
  382   1HB   ALA  46          1HB       ALA  46  -1.139  -6.827 -15.011
  383   2HB   ALA  46          2HB       ALA  46  -1.410  -7.630 -13.464
  384   3HB   ALA  46          3HB       ALA  46   0.233  -7.286 -14.003
  385    H    GLY  47           H        GLY  47  -1.944  -3.600 -12.154
  386   1HA   GLY  47          1HA       GLY  47  -3.400  -1.961 -13.097
  387   2HA   GLY  47          2HA       GLY  47  -3.840  -3.117 -14.343
  388    H    LYS  48           H        LYS  48  -3.770  -4.684 -11.410
  389    HA   LYS  48           HA       LYS  48  -6.685  -4.398 -11.134
  390   1HB   LYS  48          1HB       LYS  48  -4.861  -6.684 -10.374
  391   2HB   LYS  48          2HB       LYS  48  -6.579  -6.624 -10.006
  392   1HG   LYS  48          1HG       LYS  48  -6.307  -6.116 -12.768
  393   2HG   LYS  48          2HG       LYS  48  -5.284  -7.502 -12.383
  394   1HD   LYS  48          1HD       LYS  48  -7.234  -8.525 -11.210
  395   2HD   LYS  48          2HD       LYS  48  -8.227  -7.190 -11.800
  396   1HE   LYS  48          1HE       LYS  48  -6.621  -8.656 -13.808
  397   2HE   LYS  48          2HE       LYS  48  -7.984  -9.519 -13.097
  398   1HZ   LYS  48          1HZ       LYS  48  -9.489  -8.070 -14.000
  399   2HZ   LYS  48          2HZ       LYS  48  -8.306  -8.061 -15.209
  400   3HZ   LYS  48          3HZ       LYS  48  -8.390  -6.788 -14.098
  401    H    GLN  49           H        GLN  49  -7.093  -2.927  -9.600
  402    HA   GLN  49           HA       GLN  49  -5.388  -2.491  -7.350
  403   1HB   GLN  49          1HB       GLN  49  -7.595  -1.177  -8.580
  404   2HB   GLN  49          2HB       GLN  49  -7.987  -1.414  -6.882
  405   1HG   GLN  49          1HG       GLN  49  -5.535  -0.482  -6.560
  406   2HG   GLN  49          2HG       GLN  49  -5.873   0.244  -8.132
  407   1HE2  GLN  49          1HE2      GLN  49  -5.992   0.770  -4.912
  408   2HE2  GLN  49          2HE2      GLN  49  -7.231   1.971  -4.850
  409    H    LEU  50           H        LEU  50  -5.199  -4.091  -5.896
  410    HA   LEU  50           HA       LEU  50  -7.011  -6.063  -5.261
  411   1HB   LEU  50          1HB       LEU  50  -5.121  -4.778  -3.292
  412   2HB   LEU  50          2HB       LEU  50  -5.774  -6.403  -3.218
  413    HG   LEU  50           HG       LEU  50  -3.636  -5.317  -5.012
  414   1HD1  LEU  50          1HD1      LEU  50  -2.342  -7.072  -4.165
  415   2HD1  LEU  50          2HD1      LEU  50  -3.755  -7.948  -3.575
  416   3HD1  LEU  50          3HD1      LEU  50  -3.235  -6.468  -2.769
  417   1HD2  LEU  50          1HD2      LEU  50  -5.239  -7.825  -5.499
  418   2HD2  LEU  50          2HD2      LEU  50  -3.778  -7.349  -6.364
  419   3HD2  LEU  50          3HD2      LEU  50  -5.243  -6.377  -6.507
  420    H    GLU  51           H        GLU  51  -8.900  -6.134  -4.237
  421    HA   GLU  51           HA       GLU  51  -9.802  -3.730  -2.821
  422   1HB   GLU  51          1HB       GLU  51 -11.247  -5.994  -4.167
  423   2HB   GLU  51          2HB       GLU  51 -12.072  -4.959  -3.011
  424   1HG   GLU  51          1HG       GLU  51 -10.587  -3.775  -5.318
  425   2HG   GLU  51          2HG       GLU  51 -12.217  -4.414  -5.526
  426    H    ASP  52           H        ASP  52  -9.490  -3.785  -0.695
  427    HA   ASP  52           HA       ASP  52  -8.779  -5.803   0.929
  428   1HB   ASP  52          1HB       ASP  52  -9.290  -4.432   2.705
  429   2HB   ASP  52          2HB       ASP  52  -9.297  -3.262   1.394
  430    H    GLY  53           H        GLY  53  -9.768  -7.349   2.242
  431   1HA   GLY  53          1HA       GLY  53 -11.518  -8.673   3.045
  432   2HA   GLY  53          2HA       GLY  53 -12.636  -7.769   2.036
  433    H    ARG  54           H        ARG  54 -10.459  -8.332  -0.158
  434    HA   ARG  54           HA       ARG  54 -11.733 -10.808  -1.041
  435   1HB   ARG  54          1HB       ARG  54  -9.870  -9.030  -2.614
  436   2HB   ARG  54          2HB       ARG  54 -10.951 -10.267  -3.241
  437   1HG   ARG  54          1HG       ARG  54 -12.186  -8.062  -1.703
  438   2HG   ARG  54          2HG       ARG  54 -11.533  -7.672  -3.296
  439   1HD   ARG  54          1HD       ARG  54 -12.871  -9.959  -3.844
  440   2HD   ARG  54          2HD       ARG  54 -13.870  -9.297  -2.550
  441    HE   ARG  54           HE       ARG  54 -13.611  -7.175  -4.139
  442   1HH1  ARG  54          1HH1      ARG  54 -15.321 -10.104  -6.264
  443   2HH1  ARG  54          2HH1      ARG  54 -14.357 -10.494  -4.878
  444   1HH2  ARG  54          1HH2      ARG  54 -14.879  -6.649  -5.960
  445   2HH2  ARG  54          2HH2      ARG  54 -15.618  -7.919  -6.880
  446    H    THR  55           H        THR  55 -10.454 -12.519  -1.998
  447    HA   THR  55           HA       THR  55  -7.972 -12.931  -0.517
  448    HB   THR  55           HB       THR  55  -8.223 -15.294  -1.498
  449    HG1  THR  55           HG1      THR  55 -10.412 -15.752  -2.102
  450   1HG2  THR  55          1HG2      THR  55  -8.776 -14.905   0.807
  451   2HG2  THR  55          2HG2      THR  55  -9.997 -15.948   0.075
  452   3HG2  THR  55          3HG2      THR  55 -10.346 -14.241   0.354
  453    H    LEU  56           H        LEU  56  -6.092 -13.835  -1.587
  454    HA   LEU  56           HA       LEU  56  -5.287 -12.361  -3.824
  455   1HB   LEU  56          1HB       LEU  56  -4.100 -14.980  -2.915
  456   2HB   LEU  56          2HB       LEU  56  -3.299 -13.716  -3.828
  457    HG   LEU  56           HG       LEU  56  -3.894 -13.862  -0.918
  458   1HD1  LEU  56          1HD1      LEU  56  -1.600 -12.596  -2.394
  459   2HD1  LEU  56          2HD1      LEU  56  -1.653 -14.309  -1.973
  460   3HD1  LEU  56          3HD1      LEU  56  -1.669 -13.086  -0.701
  461   1HD2  LEU  56          1HD2      LEU  56  -5.100 -11.873  -1.484
  462   2HD2  LEU  56          2HD2      LEU  56  -3.778 -11.300  -2.499
  463   3HD2  LEU  56          3HD2      LEU  56  -3.568 -11.399  -0.751
  464    H    SER  57           H        SER  57  -6.740 -15.538  -3.552
  465    HA   SER  57           HA       SER  57  -6.234 -16.363  -6.221
  466   1HB   SER  57          1HB       SER  57  -6.732 -18.090  -4.680
  467   2HB   SER  57          2HB       SER  57  -8.188 -17.273  -4.112
  468    HG   SER  57           HG       SER  57  -8.820 -18.894  -5.493
  469    H    ASP  58           H        ASP  58  -8.480 -14.194  -4.819
  470    HA   ASP  58           HA       ASP  58 -10.543 -14.411  -6.769
  471   1HB   ASP  58          1HB       ASP  58  -9.839 -12.238  -4.795
  472   2HB   ASP  58          2HB       ASP  58 -11.248 -12.166  -5.847
  473    H    TYR  59           H        TYR  59  -7.422 -13.253  -6.977
  474    HA   TYR  59           HA       TYR  59  -8.134 -11.493  -9.232
  475   1HB   TYR  59          1HB       TYR  59  -5.949 -11.277  -7.182
  476   2HB   TYR  59          2HB       TYR  59  -5.771 -10.517  -8.759
  477    HD1  TYR  59           HD1      TYR  59  -7.915  -9.075  -9.487
  478    HD2  TYR  59           HD2      TYR  59  -6.806  -9.987  -5.472
  479    HE1  TYR  59           HE1      TYR  59  -9.198  -7.127  -8.696
  480    HE2  TYR  59           HE2      TYR  59  -8.088  -8.042  -4.669
  481    HH   TYR  59           HH       TYR  59  -9.259  -5.623  -6.756
  482    H    ASN  60           H        ASN  60  -7.663 -14.414  -9.184
  483    HA   ASN  60           HA       ASN  60  -6.516 -16.031 -10.312
  484   1HB   ASN  60          1HB       ASN  60  -6.158 -15.594 -12.603
  485   2HB   ASN  60          2HB       ASN  60  -7.474 -14.518 -12.142
  486   1HD2  ASN  60          1HD2      ASN  60  -7.250 -12.399 -12.463
  487   2HD2  ASN  60          2HD2      ASN  60  -5.801 -11.623 -12.994
  488    H    LEU  61           H        LEU  61  -5.003 -14.456  -8.355
  489    HA   LEU  61           HA       LEU  61  -2.470 -13.711  -9.123
  490   1HB   LEU  61          1HB       LEU  61  -3.634 -14.835  -6.633
  491   2HB   LEU  61          2HB       LEU  61  -1.886 -14.823  -6.763
  492    HG   LEU  61           HG       LEU  61  -3.222 -12.810  -5.678
  493   1HD1  LEU  61          1HD1      LEU  61  -1.040 -11.954  -7.499
  494   2HD1  LEU  61          2HD1      LEU  61  -0.685 -13.207  -6.310
  495   3HD1  LEU  61          3HD1      LEU  61  -1.275 -11.632  -5.782
  496   1HD2  LEU  61          1HD2      LEU  61  -2.926 -11.646  -8.392
  497   2HD2  LEU  61          2HD2      LEU  61  -4.007 -11.191  -7.073
  498   3HD2  LEU  61          3HD2      LEU  61  -4.363 -12.611  -8.056
  499    H    GLN  62           H        GLN  62  -0.658 -14.711  -9.775
  500    HA   GLN  62           HA       GLN  62  -0.732 -17.648  -9.962
  501   1HB   GLN  62          1HB       GLN  62   1.159 -15.996 -11.581
  502   2HB   GLN  62          2HB       GLN  62   0.419 -17.543 -11.964
  503   1HG   GLN  62          1HG       GLN  62  -1.760 -15.931 -11.854
  504   2HG   GLN  62          2HG       GLN  62  -0.532 -14.820 -12.459
  505   1HE2  GLN  62          1HE2      GLN  62  -2.473 -17.581 -13.131
  506   2HE2  GLN  62          2HE2      GLN  62  -2.036 -17.756 -14.794
  507    H    LYS  63           H        LYS  63   1.838 -18.273 -10.421
  508    HA   LYS  63           HA       LYS  63   3.051 -17.794  -7.827
  509   1HB   LYS  63          1HB       LYS  63   3.088 -20.065  -8.473
  510   2HB   LYS  63          2HB       LYS  63   3.645 -19.680 -10.096
  511   1HG   LYS  63          1HG       LYS  63   5.796 -19.675  -9.487
  512   2HG   LYS  63          2HG       LYS  63   5.469 -18.822  -7.977
  513   1HD   LYS  63          1HD       LYS  63   6.160 -20.863  -7.180
  514   2HD   LYS  63          2HD       LYS  63   4.415 -21.115  -7.269
  515   1HE   LYS  63          1HE       LYS  63   5.084 -23.000  -8.345
  516   2HE   LYS  63          2HE       LYS  63   5.052 -21.906  -9.726
  517   1HZ   LYS  63          1HZ       LYS  63   7.295 -21.878  -9.874
  518   2HZ   LYS  63          2HZ       LYS  63   7.142 -23.399  -9.150
  519   3HZ   LYS  63          3HZ       LYS  63   7.539 -22.051  -8.208
  520    H    GLU  64           H        GLU  64   4.434 -16.191  -7.515
  521    HA   GLU  64           HA       GLU  64   6.270 -14.850  -7.811
  522   1HB   GLU  64          1HB       GLU  64   6.597 -15.842 -10.627
  523   2HB   GLU  64          2HB       GLU  64   7.823 -15.232  -9.525
  524   1HG   GLU  64          1HG       GLU  64   7.189 -17.328  -8.111
  525   2HG   GLU  64          2HG       GLU  64   6.552 -17.923  -9.644
  526    H    SER  65           H        SER  65   3.729 -13.895  -8.168
  527    HA   SER  65           HA       SER  65   3.496 -12.449 -10.638
  528   1HB   SER  65          1HB       SER  65   1.954 -12.144  -8.049
  529   2HB   SER  65          2HB       SER  65   1.516 -11.421  -9.596
  530    HG   SER  65           HG       SER  65   1.005 -13.382 -10.388
  531    H    THR  66           H        THR  66   3.502 -10.146 -10.853
  532    HA   THR  66           HA       THR  66   5.301  -8.829  -8.927
  533    HB   THR  66           HB       THR  66   4.906  -8.170 -11.852
  534    HG1  THR  66           HG1      THR  66   7.220  -9.313 -10.733
  535   1HG2  THR  66          1HG2      THR  66   7.396  -7.310 -10.742
  536   2HG2  THR  66          2HG2      THR  66   6.054  -6.635  -9.816
  537   3HG2  THR  66          3HG2      THR  66   6.146  -6.369 -11.557
  538    H    ILE  67           H        ILE  67   3.864  -7.864  -7.563
  539    HA   ILE  67           HA       ILE  67   1.731  -6.215  -8.707
  540    HB   ILE  67           HB       ILE  67   2.222  -6.826  -5.794
  541   1HG1  ILE  67          1HG1      ILE  67   0.062  -8.156  -7.371
  542   2HG1  ILE  67          2HG1      ILE  67   1.704  -8.776  -7.514
  543   1HG2  ILE  67          1HG2      ILE  67   0.848  -4.926  -5.970
  544   2HG2  ILE  67          2HG2      ILE  67  -0.257  -6.273  -5.698
  545   3HG2  ILE  67          3HG2      ILE  67  -0.061  -5.608  -7.319
  546   1HD1  ILE  67          1HD1      ILE  67   1.568  -8.696  -4.875
  547   2HD1  ILE  67          2HD1      ILE  67   0.964 -10.066  -5.807
  548   3HD1  ILE  67          3HD1      ILE  67  -0.156  -8.840  -5.215
  549    H    HIS  68           H        HIS  68   1.543  -4.022  -8.308
  550    HA   HIS  68           HA       HIS  68   4.021  -2.714  -7.436
  551   1HB   HIS  68          1HB       HIS  68   1.695  -1.661  -9.061
  552   2HB   HIS  68          2HB       HIS  68   3.103  -0.711  -8.598
  553    HD1  HIS  68           HD1      HIS  68   4.001  -0.329 -10.935
  554    HD2  HIS  68           HD2      HIS  68   3.439  -4.347 -10.038
  555    HE1  HIS  68           HE1      HIS  68   5.097  -1.595 -12.810
  556    HE2  HIS  68           HE2      HIS  68   4.831  -4.024 -12.194
  557    H    LEU  69           H        LEU  69   4.048  -2.055  -5.397
  558    HA   LEU  69           HA       LEU  69   1.547  -1.416  -4.038
  559   1HB   LEU  69          1HB       LEU  69   3.045  -2.895  -2.865
  560   2HB   LEU  69          2HB       LEU  69   4.368  -1.756  -3.029
  561    HG   LEU  69           HG       LEU  69   2.657  -0.196  -1.686
  562   1HD1  LEU  69          1HD1      LEU  69   1.778  -1.847   0.149
  563   2HD1  LEU  69          2HD1      LEU  69   1.791  -3.000  -1.186
  564   3HD1  LEU  69          3HD1      LEU  69   0.831  -1.525  -1.303
  565   1HD2  LEU  69          1HD2      LEU  69   4.648  -0.317  -0.638
  566   2HD2  LEU  69          2HD2      LEU  69   4.802  -2.054  -0.899
  567   3HD2  LEU  69          3HD2      LEU  69   3.789  -1.446   0.410
  568    H    VAL  70           H        VAL  70   0.836   0.588  -4.018
  569    HA   VAL  70           HA       VAL  70   2.798   2.783  -3.937
  570    HB   VAL  70           HB       VAL  70   0.605   3.962  -5.060
  571   1HG1  VAL  70          1HG1      VAL  70   2.427   2.823  -7.043
  572   2HG1  VAL  70          2HG1      VAL  70   3.238   3.598  -5.683
  573   3HG1  VAL  70          3HG1      VAL  70   2.080   4.508  -6.654
  574   1HG2  VAL  70          1HG2      VAL  70  -0.665   2.044  -5.495
  575   2HG2  VAL  70          2HG2      VAL  70   0.743   1.123  -6.023
  576   3HG2  VAL  70          3HG2      VAL  70   0.107   2.419  -7.035
  577    H    LEU  71           H        LEU  71   2.231   4.610  -2.732
  578    HA   LEU  71           HA       LEU  71   0.513   4.065  -0.492
  579   1HB   LEU  71          1HB       LEU  71   2.652   5.874  -1.108
  580   2HB   LEU  71          2HB       LEU  71   1.290   6.781  -0.480
  581    HG   LEU  71           HG       LEU  71   1.297   5.013   1.427
  582   1HD1  LEU  71          1HD1      LEU  71   4.148   4.774   0.483
  583   2HD1  LEU  71          2HD1      LEU  71   2.918   3.526   0.284
  584   3HD1  LEU  71          3HD1      LEU  71   3.428   4.012   1.901
  585   1HD2  LEU  71          1HD2      LEU  71   2.854   7.442   0.996
  586   2HD2  LEU  71          2HD2      LEU  71   3.505   6.398   2.258
  587   3HD2  LEU  71          3HD2      LEU  71   1.840   6.969   2.359
  588    H    ARG  72           H        ARG  72  -1.225   5.455   0.207
  589    HA   ARG  72           HA       ARG  72  -2.944   6.185  -1.997
  590   1HB   ARG  72          1HB       ARG  72  -3.360   5.232   0.580
  591   2HB   ARG  72          2HB       ARG  72  -3.922   6.897   0.651
  592   1HG   ARG  72          1HG       ARG  72  -5.514   6.531  -1.059
  593   2HG   ARG  72          2HG       ARG  72  -4.811   4.967  -1.474
  594   1HD   ARG  72          1HD       ARG  72  -5.504   4.991   1.300
  595   2HD   ARG  72          2HD       ARG  72  -6.893   5.516   0.349
  596    HE   ARG  72           HE       ARG  72  -5.623   3.157  -0.685
  597   1HH1  ARG  72          1HH1      ARG  72  -8.855   2.899   1.664
  598   2HH1  ARG  72          2HH1      ARG  72  -7.957   4.379   1.593
  599   1HH2  ARG  72          1HH2      ARG  72  -6.798   1.204  -0.598
  600   2HH2  ARG  72          2HH2      ARG  72  -8.196   1.094   0.418
  601    H    LEU  73           H        LEU  73  -3.827   8.223  -2.389
  602    HA   LEU  73           HA       LEU  73  -2.079  10.424  -1.710
  603   1HB   LEU  73          1HB       LEU  73  -4.619  10.492  -3.334
  604   2HB   LEU  73          2HB       LEU  73  -3.353  11.703  -3.304
  605    HG   LEU  73           HG       LEU  73  -3.238   8.947  -4.515
  606   1HD1  LEU  73          1HD1      LEU  73  -2.315  10.757  -6.337
  607   2HD1  LEU  73          2HD1      LEU  73  -3.567  11.677  -5.501
  608   3HD1  LEU  73          3HD1      LEU  73  -3.964  10.137  -6.263
  609   1HD2  LEU  73          1HD2      LEU  73  -0.866  10.300  -5.091
  610   2HD2  LEU  73          2HD2      LEU  73  -1.065   8.873  -4.074
  611   3HD2  LEU  73          3HD2      LEU  73  -1.101  10.482  -3.353
  612    H    ARG  74           H        ARG  74  -2.677  12.308  -0.625
  613    HA   ARG  74           HA       ARG  74  -5.053  12.025   1.089
  614   1HB   ARG  74          1HB       ARG  74  -2.420  12.355   1.834
  615   2HB   ARG  74          2HB       ARG  74  -3.056  13.991   1.931
  616   1HG   ARG  74          1HG       ARG  74  -4.736  13.325   3.487
  617   2HG   ARG  74          2HG       ARG  74  -4.341  11.619   3.262
  618   1HD   ARG  74          1HD       ARG  74  -2.045  12.137   4.132
  619   2HD   ARG  74          2HD       ARG  74  -2.633  13.749   4.539
  620    HE   ARG  74           HE       ARG  74  -3.212  11.282   5.921
  621   1HH1  ARG  74          1HH1      ARG  74  -5.087  14.705   6.815
  622   2HH1  ARG  74          2HH1      ARG  74  -4.192  14.572   5.338
  623   1HH2  ARG  74          1HH2      ARG  74  -4.387  11.444   7.869
  624   2HH2  ARG  74          2HH2      ARG  74  -5.197  12.926   8.254
  625    H    GLY  75           H        GLY  75  -4.494  13.357  -1.664
  626   1HA   GLY  75          1HA       GLY  75  -6.384  15.098  -2.039
  627   2HA   GLY  75          2HA       GLY  75  -5.362  16.084  -1.004
  628    H    GLY  76           H        GLY  76  -5.223  17.591  -2.767
  629   1HA   GLY  76          1HA       GLY  76  -4.093  18.563  -4.511
  630   2HA   GLY  76          2HA       GLY  76  -2.858  17.339  -4.263
  Start of MODEL   17
    1   1H    MET   1          1H        MET   1   1.962 -20.839  -2.340
    2   2H    MET   1          2H        MET   1   1.552 -19.230  -1.904
    3   3H    MET   1          3H        MET   1   2.972 -19.958  -1.273
    4    HA   MET   1           HA       MET   1   3.832 -20.135  -3.528
    5   1HB   MET   1          1HB       MET   1   2.713 -18.848  -5.276
    6   2HB   MET   1          2HB       MET   1   1.636 -20.081  -4.636
    7   1HG   MET   1          1HG       MET   1   0.282 -18.543  -3.578
    8   2HG   MET   1          2HG       MET   1   1.542 -17.311  -3.533
    9   1HE   MET   1          1HE       MET   1  -1.356 -17.067  -4.088
   10   2HE   MET   1          2HE       MET   1  -1.851 -16.679  -5.736
   11   3HE   MET   1          3HE       MET   1  -0.869 -15.537  -4.817
   12    H    GLN   2           H        GLN   2   5.125 -18.379  -4.391
   13    HA   GLN   2           HA       GLN   2   5.646 -16.370  -2.364
   14   1HB   GLN   2          1HB       GLN   2   7.116 -17.538  -4.647
   15   2HB   GLN   2          2HB       GLN   2   7.465 -15.851  -4.300
   16   1HG   GLN   2          1HG       GLN   2   9.051 -17.172  -3.132
   17   2HG   GLN   2          2HG       GLN   2   7.932 -16.508  -1.942
   18   1HE2  GLN   2          1HE2      GLN   2   7.046 -17.862  -0.549
   19   2HE2  GLN   2          2HE2      GLN   2   7.016 -19.584  -0.692
   20    H    LEU   3           H        LEU   3   6.015 -14.110  -2.958
   21    HA   LEU   3           HA       LEU   3   4.669 -13.169  -5.361
   22   1HB   LEU   3          1HB       LEU   3   3.819 -12.275  -2.605
   23   2HB   LEU   3          2HB       LEU   3   3.226 -11.628  -4.122
   24    HG   LEU   3           HG       LEU   3   2.867 -14.514  -3.340
   25   1HD1  LEU   3          1HD1      LEU   3   1.455 -13.801  -1.769
   26   2HD1  LEU   3          2HD1      LEU   3   0.409 -13.309  -3.101
   27   3HD1  LEU   3          3HD1      LEU   3   1.500 -12.140  -2.359
   28   1HD2  LEU   3          1HD2      LEU   3   0.944 -14.232  -4.982
   29   2HD2  LEU   3          2HD2      LEU   3   2.574 -14.258  -5.656
   30   3HD2  LEU   3          3HD2      LEU   3   1.724 -12.725  -5.464
   31    H    PHE   4           H        PHE   4   5.200 -11.022  -5.929
   32    HA   PHE   4           HA       PHE   4   7.488  -9.922  -4.433
   33   1HB   PHE   4          1HB       PHE   4   6.936  -9.956  -7.399
   34   2HB   PHE   4          2HB       PHE   4   8.159  -8.923  -6.668
   35    HD1  PHE   4           HD1      PHE   4  10.303  -9.697  -6.851
   36    HD2  PHE   4           HD2      PHE   4   7.126 -12.510  -6.427
   37    HE1  PHE   4           HE1      PHE   4  11.931 -11.546  -6.959
   38    HE2  PHE   4           HE2      PHE   4   8.747 -14.364  -6.533
   39    HZ   PHE   4           HZ       PHE   4  11.153 -13.883  -6.798
   40    H    VAL   5           H        VAL   5   7.490  -7.790  -3.910
   41    HA   VAL   5           HA       VAL   5   5.247  -6.144  -4.870
   42    HB   VAL   5           HB       VAL   5   6.211  -6.414  -2.024
   43   1HG1  VAL   5          1HG1      VAL   5   4.162  -4.678  -1.845
   44   2HG1  VAL   5          2HG1      VAL   5   4.850  -4.185  -3.393
   45   3HG1  VAL   5          3HG1      VAL   5   5.853  -4.186  -1.942
   46   1HG2  VAL   5          1HG2      VAL   5   4.169  -7.340  -1.530
   47   2HG2  VAL   5          2HG2      VAL   5   4.419  -7.954  -3.164
   48   3HG2  VAL   5          3HG2      VAL   5   3.364  -6.566  -2.896
   49    H    LYS   6           H        LYS   6   5.996  -4.416  -5.888
   50    HA   LYS   6           HA       LYS   6   8.492  -3.181  -4.923
   51   1HB   LYS   6          1HB       LYS   6   9.017  -2.571  -7.236
   52   2HB   LYS   6          2HB       LYS   6   8.877  -4.314  -7.056
   53   1HG   LYS   6          1HG       LYS   6   7.481  -4.299  -8.772
   54   2HG   LYS   6          2HG       LYS   6   6.319  -3.454  -7.748
   55   1HD   LYS   6          1HD       LYS   6   6.441  -1.941  -9.441
   56   2HD   LYS   6          2HD       LYS   6   7.802  -1.365  -8.476
   57   1HE   LYS   6          1HE       LYS   6   8.789  -3.418 -10.135
   58   2HE   LYS   6          2HE       LYS   6   7.783  -2.386 -11.151
   59   1HZ   LYS   6          1HZ       LYS   6  10.374  -1.902 -10.267
   60   2HZ   LYS   6          2HZ       LYS   6   9.384  -0.779  -9.484
   61   3HZ   LYS   6          3HZ       LYS   6   9.382  -0.875 -11.173
   62    H    THR   7           H        THR   7   8.614  -0.927  -4.970
   63    HA   THR   7           HA       THR   7   6.005   0.408  -5.155
   64    HB   THR   7           HB       THR   7   6.695   1.901  -3.524
   65    HG1  THR   7           HG1      THR   7   9.332   1.291  -4.333
   66   1HG2  THR   7          1HG2      THR   7   6.587  -0.130  -2.345
   67   2HG2  THR   7          2HG2      THR   7   8.064   0.670  -1.807
   68   3HG2  THR   7          3HG2      THR   7   8.152  -0.660  -2.962
   69    H    LEU   8           H        LEU   8   7.079   3.051  -5.234
   70    HA   LEU   8           HA       LEU   8   7.662   3.198  -8.081
   71   1HB   LEU   8          1HB       LEU   8   7.340   5.556  -6.255
   72   2HB   LEU   8          2HB       LEU   8   7.030   5.455  -7.977
   73    HG   LEU   8           HG       LEU   8   5.352   4.355  -5.731
   74   1HD1  LEU   8          1HD1      LEU   8   4.009   5.833  -7.805
   75   2HD1  LEU   8          2HD1      LEU   8   5.332   6.775  -7.118
   76   3HD1  LEU   8          3HD1      LEU   8   4.067   6.134  -6.068
   77   1HD2  LEU   8          1HD2      LEU   8   5.765   2.968  -8.016
   78   2HD2  LEU   8          2HD2      LEU   8   4.409   3.993  -8.488
   79   3HD2  LEU   8          3HD2      LEU   8   4.266   2.932  -7.087
   80    H    THR   9           H        THR   9   9.729   2.203  -6.338
   81    HA   THR   9           HA       THR   9  11.790   4.204  -6.936
   82    HB   THR   9           HB       THR   9  12.895   3.282  -4.734
   83    HG1  THR   9           HG1      THR   9  11.477   1.859  -3.974
   84   1HG2  THR   9          1HG2      THR   9  12.422   5.596  -4.893
   85   2HG2  THR   9          2HG2      THR   9  11.723   5.022  -3.379
   86   3HG2  THR   9          3HG2      THR   9  10.685   5.314  -4.774
   87    H    GLY  10           H        GLY  10  11.106   0.839  -6.034
   88   1HA   GLY  10          1HA       GLY  10  12.089  -0.645  -7.925
   89   2HA   GLY  10          2HA       GLY  10  13.607   0.016  -7.338
   90    H    LYS  11           H        LYS  11  12.931   0.021  -4.563
   91    HA   LYS  11           HA       LYS  11  13.902  -2.347  -3.674
   92   1HB   LYS  11          1HB       LYS  11  13.657  -0.596  -2.104
   93   2HB   LYS  11          2HB       LYS  11  11.925  -0.482  -2.380
   94   1HG   LYS  11          1HG       LYS  11  11.537  -2.549  -1.249
   95   2HG   LYS  11          2HG       LYS  11  13.269  -2.869  -1.138
   96   1HD   LYS  11          1HD       LYS  11  12.072  -0.405   0.080
   97   2HD   LYS  11          2HD       LYS  11  12.051  -1.947   0.939
   98   1HE   LYS  11          1HE       LYS  11  14.558  -2.038   0.503
   99   2HE   LYS  11          2HE       LYS  11  14.429  -0.342   0.037
  100   1HZ   LYS  11          1HZ       LYS  11  14.538  -1.473   2.630
  101   2HZ   LYS  11          2HZ       LYS  11  13.114  -0.579   2.455
  102   3HZ   LYS  11          3HZ       LYS  11  14.612   0.154   2.175
  103    H    THR  12           H        THR  12  13.256  -4.306  -4.314
  104    HA   THR  12           HA       THR  12  10.405  -4.899  -4.537
  105    HB   THR  12           HB       THR  12  12.535  -6.912  -5.122
  106    HG1  THR  12           HG1      THR  12  13.436  -5.502  -6.394
  107   1HG2  THR  12          1HG2      THR  12  10.400  -6.380  -7.051
  108   2HG2  THR  12          2HG2      THR  12   9.856  -6.967  -5.479
  109   3HG2  THR  12          3HG2      THR  12  11.014  -7.908  -6.418
  110    H    LEU  13           H        LEU  13   9.334  -6.358  -3.281
  111    HA   LEU  13           HA       LEU  13  10.850  -7.565  -1.060
  112   1HB   LEU  13          1HB       LEU  13   8.533  -5.812  -1.033
  113   2HB   LEU  13          2HB       LEU  13   8.221  -7.316  -0.187
  114    HG   LEU  13           HG       LEU  13   9.226  -5.193   1.045
  115   1HD1  LEU  13          1HD1      LEU  13   8.899  -6.805   2.561
  116   2HD1  LEU  13          2HD1      LEU  13  10.617  -7.143   2.351
  117   3HD1  LEU  13          3HD1      LEU  13   9.419  -8.080   1.459
  118   1HD2  LEU  13          1HD2      LEU  13  11.485  -4.924   0.999
  119   2HD2  LEU  13          2HD2      LEU  13  11.232  -5.469  -0.659
  120   3HD2  LEU  13          3HD2      LEU  13  11.791  -6.606   0.569
  121    H    THR  14           H        THR  14  10.720  -9.705  -0.925
  122    HA   THR  14           HA       THR  14   8.600 -11.064  -2.446
  123    HB   THR  14           HB       THR  14  11.252 -12.198  -1.542
  124    HG1  THR  14           HG1      THR  14  10.466 -10.962  -3.951
  125   1HG2  THR  14          1HG2      THR  14  10.694 -14.142  -2.454
  126   2HG2  THR  14          2HG2      THR  14   9.984 -13.369  -3.872
  127   3HG2  THR  14          3HG2      THR  14   9.030 -13.557  -2.400
  128    H    VAL  15           H        VAL  15   6.972 -11.613  -1.152
  129    HA   VAL  15           HA       VAL  15   7.611 -12.745   1.493
  130    HB   VAL  15           HB       VAL  15   5.048 -12.164   1.837
  131   1HG1  VAL  15          1HG1      VAL  15   5.827  -9.869   2.663
  132   2HG1  VAL  15          2HG1      VAL  15   7.423 -10.349   2.086
  133   3HG1  VAL  15          3HG1      VAL  15   6.617 -11.294   3.336
  134   1HG2  VAL  15          1HG2      VAL  15   5.789  -9.832   0.128
  135   2HG2  VAL  15          2HG2      VAL  15   4.195 -10.411   0.613
  136   3HG2  VAL  15          3HG2      VAL  15   5.108 -11.276  -0.624
  137    H    GLU  16           H        GLU  16   6.175 -14.441   2.270
  138    HA   GLU  16           HA       GLU  16   5.261 -16.145   0.057
  139   1HB   GLU  16          1HB       GLU  16   5.601 -17.199   2.827
  140   2HB   GLU  16          2HB       GLU  16   5.852 -18.004   1.285
  141   1HG   GLU  16          1HG       GLU  16   8.018 -17.769   1.769
  142   2HG   GLU  16          2HG       GLU  16   7.790 -16.116   1.196
  143    H    LEU  17           H        LEU  17   3.175 -16.637  -0.161
  144    HA   LEU  17           HA       LEU  17   1.374 -16.478   2.122
  145   1HB   LEU  17          1HB       LEU  17   1.596 -14.341   0.348
  146   2HB   LEU  17          2HB       LEU  17   0.165 -15.202  -0.185
  147    HG   LEU  17           HG       LEU  17  -0.772 -15.022   2.096
  148   1HD1  LEU  17          1HD1      LEU  17   1.787 -13.531   2.606
  149   2HD1  LEU  17          2HD1      LEU  17   1.139 -14.922   3.475
  150   3HD1  LEU  17          3HD1      LEU  17   0.355 -13.349   3.619
  151   1HD2  LEU  17          1HD2      LEU  17  -0.019 -12.594   0.531
  152   2HD2  LEU  17          2HD2      LEU  17  -0.897 -12.425   2.051
  153   3HD2  LEU  17          3HD2      LEU  17  -1.596 -13.361   0.729
  154    H    GLU  18           H        GLU  18  -1.025 -16.787   0.904
  155    HA   GLU  18           HA       GLU  18  -0.734 -19.064  -0.923
  156   1HB   GLU  18          1HB       GLU  18  -2.505 -19.071   1.528
  157   2HB   GLU  18          2HB       GLU  18  -2.358 -20.368   0.349
  158   1HG   GLU  18          1HG       GLU  18   0.174 -19.539   1.561
  159   2HG   GLU  18          2HG       GLU  18  -0.996 -20.219   2.692
  160    HA   PRO  19           HA       PRO  19  -4.017 -17.281  -3.235
  161   1HB   PRO  19          1HB       PRO  19  -5.433 -19.531  -3.948
  162   2HB   PRO  19          2HB       PRO  19  -3.948 -18.996  -4.740
  163   1HG   PRO  19          1HG       PRO  19  -4.328 -21.087  -2.636
  164   2HG   PRO  19          2HG       PRO  19  -3.282 -21.114  -4.068
  165   1HD   PRO  19          1HD       PRO  19  -2.306 -20.616  -1.615
  166   2HD   PRO  19          2HD       PRO  19  -1.654 -19.812  -3.058
  167    H    SER  20           H        SER  20  -4.698 -19.334  -0.526
  168    HA   SER  20           HA       SER  20  -7.521 -18.740  -0.457
  169   1HB   SER  20          1HB       SER  20  -7.655 -20.225   1.323
  170   2HB   SER  20          2HB       SER  20  -6.248 -20.848   0.462
  171    HG   SER  20           HG       SER  20  -5.021 -19.407   1.944
  172    H    ASP  21           H        ASP  21  -4.657 -17.227   0.564
  173    HA   ASP  21           HA       ASP  21  -5.641 -15.859   2.853
  174   1HB   ASP  21          1HB       ASP  21  -3.279 -15.477   1.033
  175   2HB   ASP  21          2HB       ASP  21  -3.660 -14.282   2.269
  176    H    THR  22           H        THR  22  -5.789 -13.435   2.930
  177    HA   THR  22           HA       THR  22  -7.169 -12.422   0.532
  178    HB   THR  22           HB       THR  22  -8.784 -11.351   1.860
  179    HG1  THR  22           HG1      THR  22  -7.035 -11.819   4.035
  180   1HG2  THR  22          1HG2      THR  22  -8.205 -13.921   3.314
  181   2HG2  THR  22          2HG2      THR  22  -9.178 -13.752   1.851
  182   3HG2  THR  22          3HG2      THR  22  -9.717 -13.015   3.360
  183    H    VAL  23           H        VAL  23  -7.274  -9.977   0.497
  184    HA   VAL  23           HA       VAL  23  -4.763  -8.873   0.294
  185    HB   VAL  23           HB       VAL  23  -7.195  -7.242   1.008
  186   1HG1  VAL  23          1HG1      VAL  23  -5.075  -6.033   0.900
  187   2HG1  VAL  23          2HG1      VAL  23  -6.148  -5.558  -0.419
  188   3HG1  VAL  23          3HG1      VAL  23  -4.799  -6.653  -0.728
  189   1HG2  VAL  23          1HG2      VAL  23  -8.184  -8.296  -0.722
  190   2HG2  VAL  23          2HG2      VAL  23  -6.653  -8.880  -1.376
  191   3HG2  VAL  23          3HG2      VAL  23  -7.175  -7.227  -1.696
  192    H    GLU  24           H        GLU  24  -7.026  -8.626   3.022
  193    HA   GLU  24           HA       GLU  24  -5.694  -6.913   4.682
  194   1HB   GLU  24          1HB       GLU  24  -7.848  -8.572   4.955
  195   2HB   GLU  24          2HB       GLU  24  -6.700  -9.310   6.063
  196   1HG   GLU  24          1HG       GLU  24  -6.451  -6.713   6.755
  197   2HG   GLU  24          2HG       GLU  24  -8.140  -6.759   6.251
  198    H    ASN  25           H        ASN  25  -5.085 -10.378   4.261
  199    HA   ASN  25           HA       ASN  25  -3.060 -10.598   6.209
  200   1HB   ASN  25          1HB       ASN  25  -3.391 -12.245   3.692
  201   2HB   ASN  25          2HB       ASN  25  -2.495 -12.708   5.135
  202   1HD2  ASN  25          1HD2      ASN  25  -4.191 -11.974   7.129
  203   2HD2  ASN  25          2HD2      ASN  25  -5.643 -12.906   7.041
  204    H    LEU  26           H        LEU  26  -2.854 -10.211   2.673
  205    HA   LEU  26           HA       LEU  26  -0.117 -10.124   2.382
  206   1HB   LEU  26          1HB       LEU  26  -1.438 -10.132   0.426
  207   2HB   LEU  26          2HB       LEU  26  -2.317  -8.696   0.915
  208    HG   LEU  26           HG       LEU  26  -0.333  -7.322   0.537
  209   1HD1  LEU  26          1HD1      LEU  26   1.510  -8.628  -0.830
  210   2HD1  LEU  26          2HD1      LEU  26   0.932  -9.980   0.145
  211   3HD1  LEU  26          3HD1      LEU  26   1.559  -8.530   0.930
  212   1HD2  LEU  26          1HD2      LEU  26  -0.352  -8.784  -1.996
  213   2HD2  LEU  26          2HD2      LEU  26  -0.797  -7.114  -1.643
  214   3HD2  LEU  26          3HD2      LEU  26  -1.957  -8.413  -1.367
  215    H    LYS  27           H        LYS  27  -2.291  -7.365   2.979
  216    HA   LYS  27           HA       LYS  27  -0.369  -5.366   3.112
  217   1HB   LYS  27          1HB       LYS  27  -2.873  -5.513   4.798
  218   2HB   LYS  27          2HB       LYS  27  -1.997  -4.060   4.333
  219   1HG   LYS  27          1HG       LYS  27  -2.813  -5.641   2.039
  220   2HG   LYS  27          2HG       LYS  27  -4.176  -5.138   3.043
  221   1HD   LYS  27          1HD       LYS  27  -3.187  -2.805   2.974
  222   2HD   LYS  27          2HD       LYS  27  -2.110  -3.404   1.710
  223   1HE   LYS  27          1HE       LYS  27  -3.703  -3.148   0.184
  224   2HE   LYS  27          2HE       LYS  27  -4.792  -4.183   1.108
  225   1HZ   LYS  27          1HZ       LYS  27  -5.900  -2.159   0.946
  226   2HZ   LYS  27          2HZ       LYS  27  -4.506  -1.246   1.233
  227   3HZ   LYS  27          3HZ       LYS  27  -5.224  -2.111   2.496
  228    H    ALA  28           H        ALA  28  -1.735  -7.292   5.780
  229    HA   ALA  28           HA       ALA  28  -0.399  -6.264   7.921
  230   1HB   ALA  28          1HB       ALA  28  -0.753  -9.223   7.479
  231   2HB   ALA  28          2HB       ALA  28  -2.059  -8.137   7.954
  232   3HB   ALA  28          3HB       ALA  28  -0.672  -8.366   9.018
  233    H    LYS  29           H        LYS  29   0.851  -8.559   5.539
  234    HA   LYS  29           HA       LYS  29   3.336  -9.030   6.788
  235   1HB   LYS  29          1HB       LYS  29   2.557  -9.186   3.871
  236   2HB   LYS  29          2HB       LYS  29   4.066  -9.799   4.533
  237   1HG   LYS  29          1HG       LYS  29   1.498 -10.742   5.705
  238   2HG   LYS  29          2HG       LYS  29   2.016 -11.381   4.144
  239   1HD   LYS  29          1HD       LYS  29   4.302 -11.496   5.700
  240   2HD   LYS  29          2HD       LYS  29   3.010 -11.956   6.812
  241   1HE   LYS  29          1HE       LYS  29   2.850 -13.191   4.154
  242   2HE   LYS  29          2HE       LYS  29   4.264 -13.657   5.100
  243   1HZ   LYS  29          1HZ       LYS  29   2.424 -13.937   6.947
  244   2HZ   LYS  29          2HZ       LYS  29   2.783 -15.178   5.855
  245   3HZ   LYS  29          3HZ       LYS  29   1.435 -14.190   5.598
  246    H    ILE  30           H        ILE  30   2.346  -6.723   4.277
  247    HA   ILE  30           HA       ILE  30   4.866  -5.574   3.830
  248    HB   ILE  30           HB       ILE  30   2.189  -4.193   3.611
  249   1HG1  ILE  30          1HG1      ILE  30   3.679  -6.009   1.719
  250   2HG1  ILE  30          2HG1      ILE  30   2.029  -6.175   2.308
  251   1HG2  ILE  30          1HG2      ILE  30   4.465  -2.917   3.505
  252   2HG2  ILE  30          2HG2      ILE  30   3.201  -2.577   2.322
  253   3HG2  ILE  30          3HG2      ILE  30   4.557  -3.619   1.890
  254   1HD1  ILE  30          1HD1      ILE  30   2.899  -4.992  -0.075
  255   2HD1  ILE  30          2HD1      ILE  30   2.309  -3.680   0.947
  256   3HD1  ILE  30          3HD1      ILE  30   1.260  -5.048   0.575
  257    H    GLN  31           H        GLN  31   2.568  -5.153   6.390
  258    HA   GLN  31           HA       GLN  31   3.761  -2.692   7.344
  259   1HB   GLN  31          1HB       GLN  31   1.381  -2.950   7.637
  260   2HB   GLN  31          2HB       GLN  31   1.605  -4.478   8.477
  261   1HG   GLN  31          1HG       GLN  31   2.698  -3.322  10.318
  262   2HG   GLN  31          2HG       GLN  31   2.513  -1.787   9.471
  263   1HE2  GLN  31          1HE2      GLN  31   1.399  -1.128  11.420
  264   2HE2  GLN  31          2HE2      GLN  31  -0.276  -1.510  11.608
  265    H    ASP  32           H        ASP  32   4.321  -6.021   7.670
  266    HA   ASP  32           HA       ASP  32   5.574  -5.800  10.282
  267   1HB   ASP  32          1HB       ASP  32   4.398  -7.899   8.799
  268   2HB   ASP  32          2HB       ASP  32   6.091  -8.312   9.044
  269    H    LYS  33           H        LYS  33   6.452  -6.132   6.905
  270    HA   LYS  33           HA       LYS  33   9.292  -6.245   7.613
  271   1HB   LYS  33          1HB       LYS  33   7.684  -7.217   5.398
  272   2HB   LYS  33          2HB       LYS  33   9.083  -6.313   4.836
  273   1HG   LYS  33          1HG       LYS  33  10.451  -7.991   5.310
  274   2HG   LYS  33          2HG       LYS  33   9.815  -8.128   6.950
  275   1HD   LYS  33          1HD       LYS  33   7.901  -9.425   6.044
  276   2HD   LYS  33          2HD       LYS  33   8.664  -9.370   4.453
  277   1HE   LYS  33          1HE       LYS  33   9.301 -11.444   5.318
  278   2HE   LYS  33          2HE       LYS  33  10.701 -10.410   5.599
  279   1HZ   LYS  33          1HZ       LYS  33   8.676 -11.295   7.572
  280   2HZ   LYS  33          2HZ       LYS  33   9.770 -10.043   7.886
  281   3HZ   LYS  33          3HZ       LYS  33  10.340 -11.606   7.577
  282    H    GLU  34           H        GLU  34   7.110  -4.409   5.472
  283    HA   GLU  34           HA       GLU  34   9.139  -2.330   5.199
  284   1HB   GLU  34          1HB       GLU  34   6.776  -3.182   3.674
  285   2HB   GLU  34          2HB       GLU  34   6.972  -1.439   3.784
  286   1HG   GLU  34          1HG       GLU  34   8.826  -3.458   2.580
  287   2HG   GLU  34          2HG       GLU  34   8.081  -2.049   1.825
  288    H    GLY  35           H        GLY  35   6.939  -3.019   7.464
  289   1HA   GLY  35          1HA       GLY  35   5.671  -1.800   8.956
  290   2HA   GLY  35          2HA       GLY  35   7.003  -0.664   8.828
  291    H    ILE  36           H        ILE  36   4.746  -1.528   6.260
  292    HA   ILE  36           HA       ILE  36   3.917   1.289   6.160
  293    HB   ILE  36           HB       ILE  36   3.904  -0.868   4.055
  294   1HG1  ILE  36          1HG1      ILE  36   5.130   1.858   3.810
  295   2HG1  ILE  36          2HG1      ILE  36   5.975   0.601   4.708
  296   1HG2  ILE  36          1HG2      ILE  36   2.032   0.127   3.304
  297   2HG2  ILE  36          2HG2      ILE  36   3.149   1.359   2.718
  298   3HG2  ILE  36          3HG2      ILE  36   2.306   1.590   4.250
  299   1HD1  ILE  36          1HD1      ILE  36   5.376  -0.731   2.442
  300   2HD1  ILE  36          2HD1      ILE  36   6.881   0.147   2.715
  301   3HD1  ILE  36          3HD1      ILE  36   5.564   0.910   1.823
  302    HA   PRO  37           HA       PRO  37  -0.005   0.012   7.879
  303   1HB   PRO  37          1HB       PRO  37  -0.857   2.647   6.823
  304   2HB   PRO  37          2HB       PRO  37  -0.958   2.006   8.466
  305   1HG   PRO  37          1HG       PRO  37   0.832   3.882   7.827
  306   2HG   PRO  37          2HG       PRO  37   1.230   2.582   8.967
  307   1HD   PRO  37          1HD       PRO  37   1.993   2.884   6.089
  308   2HD   PRO  37          2HD       PRO  37   2.956   2.280   7.455
  309    HA   PRO  38           HA       PRO  38  -1.945  -1.652   4.238
  310   1HB   PRO  38          1HB       PRO  38  -4.301  -1.784   6.045
  311   2HB   PRO  38          2HB       PRO  38  -3.547  -3.060   5.084
  312   1HG   PRO  38          1HG       PRO  38  -3.213  -2.964   7.728
  313   2HG   PRO  38          2HG       PRO  38  -1.883  -3.441   6.655
  314   1HD   PRO  38          1HD       PRO  38  -2.348  -0.847   8.066
  315   2HD   PRO  38          2HD       PRO  38  -0.826  -1.709   7.762
  316    H    ASP  39           H        ASP  39  -3.404   0.872   6.212
  317    HA   ASP  39           HA       ASP  39  -5.472   1.604   4.448
  318   1HB   ASP  39          1HB       ASP  39  -4.120   2.834   6.784
  319   2HB   ASP  39          2HB       ASP  39  -4.979   3.934   5.708
  320    H    GLN  40           H        GLN  40  -2.075   2.406   4.560
  321    HA   GLN  40           HA       GLN  40  -2.420   4.288   2.331
  322   1HB   GLN  40          1HB       GLN  40   0.131   3.824   3.862
  323   2HB   GLN  40          2HB       GLN  40  -0.313   5.213   2.879
  324   1HG   GLN  40          1HG       GLN  40  -2.164   5.608   4.593
  325   2HG   GLN  40          2HG       GLN  40  -1.286   4.467   5.611
  326   1HE2  GLN  40          1HE2      GLN  40   1.283   5.058   5.227
  327   2HE2  GLN  40          2HE2      GLN  40   1.630   6.682   5.704
  328    H    GLN  41           H        GLN  41  -2.472   1.289   2.221
  329    HA   GLN  41           HA       GLN  41  -0.129   0.806   0.516
  330   1HB   GLN  41          1HB       GLN  41  -1.935  -0.963   2.108
  331   2HB   GLN  41          2HB       GLN  41  -1.143  -1.628   0.688
  332   1HG   GLN  41          1HG       GLN  41   1.037  -0.919   1.636
  333   2HG   GLN  41          2HG       GLN  41   0.187  -0.412   3.096
  334   1HE2  GLN  41          1HE2      GLN  41   0.123  -1.835   4.669
  335   2HE2  GLN  41          2HE2      GLN  41   0.266  -3.548   4.503
  336    H    ARG  42           H        ARG  42  -0.386   0.911  -1.609
  337    HA   ARG  42           HA       ARG  42  -3.078   0.463  -2.722
  338   1HB   ARG  42          1HB       ARG  42  -1.796   2.778  -2.896
  339   2HB   ARG  42          2HB       ARG  42  -1.006   1.976  -4.246
  340   1HG   ARG  42          1HG       ARG  42  -3.026   1.731  -5.421
  341   2HG   ARG  42          2HG       ARG  42  -3.993   2.109  -3.994
  342   1HD   ARG  42          1HD       ARG  42  -4.105   4.113  -5.085
  343   2HD   ARG  42          2HD       ARG  42  -2.660   4.378  -4.109
  344    HE   ARG  42           HE       ARG  42  -1.828   3.287  -6.522
  345   1HH1  ARG  42          1HH1      ARG  42  -2.806   7.166  -6.668
  346   2HH1  ARG  42          2HH1      ARG  42  -3.418   6.170  -5.389
  347   1HH2  ARG  42          1HH2      ARG  42  -1.017   4.588  -8.210
  348   2HH2  ARG  42          2HH2      ARG  42  -1.441   6.265  -8.272
  349    H    LEU  43           H        LEU  43  -2.814  -1.754  -3.042
  350    HA   LEU  43           HA       LEU  43  -0.592  -2.681  -4.676
  351   1HB   LEU  43          1HB       LEU  43  -2.859  -4.427  -3.810
  352   2HB   LEU  43          2HB       LEU  43  -1.174  -4.842  -4.063
  353    HG   LEU  43           HG       LEU  43  -1.935  -3.014  -1.818
  354   1HD1  LEU  43          1HD1      LEU  43  -3.208  -4.613  -0.924
  355   2HD1  LEU  43          2HD1      LEU  43  -1.702  -5.492  -0.659
  356   3HD1  LEU  43          3HD1      LEU  43  -2.672  -5.816  -2.096
  357   1HD2  LEU  43          1HD2      LEU  43   0.095  -3.734  -0.859
  358   2HD2  LEU  43          2HD2      LEU  43   0.449  -3.445  -2.562
  359   3HD2  LEU  43          3HD2      LEU  43   0.230  -5.093  -1.975
  360    H    ILE  44           H        ILE  44  -0.740  -2.494  -6.807
  361    HA   ILE  44           HA       ILE  44  -3.370  -2.904  -8.074
  362    HB   ILE  44           HB       ILE  44  -1.070  -1.240  -9.107
  363   1HG1  ILE  44          1HG1      ILE  44  -3.780  -0.250  -8.230
  364   2HG1  ILE  44          2HG1      ILE  44  -2.424  -0.361  -7.112
  365   1HG2  ILE  44          1HG2      ILE  44  -2.427  -0.669 -10.949
  366   2HG2  ILE  44          2HG2      ILE  44  -3.859  -1.394 -10.217
  367   3HG2  ILE  44          3HG2      ILE  44  -2.547  -2.422 -10.792
  368   1HD1  ILE  44          1HD1      ILE  44  -1.214   1.027  -8.997
  369   2HD1  ILE  44          2HD1      ILE  44  -2.216   1.800  -7.768
  370   3HD1  ILE  44          3HD1      ILE  44  -2.871   1.495  -9.377
  371    H    PHE  45           H        PHE  45  -2.846  -5.203  -8.072
  372    HA   PHE  45           HA       PHE  45  -0.615  -6.291  -9.384
  373   1HB   PHE  45          1HB       PHE  45  -1.779  -7.790  -8.015
  374   2HB   PHE  45          2HB       PHE  45  -3.340  -7.351  -8.699
  375    HD1  PHE  45           HD1      PHE  45  -0.083  -8.741  -9.901
  376    HD2  PHE  45           HD2      PHE  45  -4.342  -8.930 -10.017
  377    HE1  PHE  45           HE1      PHE  45   0.048 -10.670 -11.431
  378    HE2  PHE  45           HE2      PHE  45  -4.219 -10.860 -11.547
  379    HZ   PHE  45           HZ       PHE  45  -2.021 -11.731 -12.254
  380    H    ALA  46           H        ALA  46  -0.080  -5.908 -11.428
  381    HA   ALA  46           HA       ALA  46  -0.211  -5.565 -13.678
  382   1HB   ALA  46          1HB       ALA  46  -1.113  -7.308 -14.803
  383   2HB   ALA  46          2HB       ALA  46  -2.653  -7.202 -13.952
  384   3HB   ALA  46          3HB       ALA  46  -1.271  -7.976 -13.179
  385    H    GLY  47           H        GLY  47  -1.526  -3.613 -12.090
  386   1HA   GLY  47          1HA       GLY  47  -2.679  -1.676 -12.687
  387   2HA   GLY  47          2HA       GLY  47  -3.272  -2.500 -14.120
  388    H    LYS  48           H        LYS  48  -3.759  -4.485 -11.509
  389    HA   LYS  48           HA       LYS  48  -6.567  -3.648 -11.333
  390   1HB   LYS  48          1HB       LYS  48  -5.416  -6.141 -11.777
  391   2HB   LYS  48          2HB       LYS  48  -5.931  -6.203 -10.096
  392   1HG   LYS  48          1HG       LYS  48  -8.191  -5.435 -10.858
  393   2HG   LYS  48          2HG       LYS  48  -7.629  -5.658 -12.517
  394   1HD   LYS  48          1HD       LYS  48  -7.119  -7.956 -10.783
  395   2HD   LYS  48          2HD       LYS  48  -8.833  -7.577 -10.972
  396   1HE   LYS  48          1HE       LYS  48  -8.812  -7.980 -13.236
  397   2HE   LYS  48          2HE       LYS  48  -7.089  -7.640 -13.389
  398   1HZ   LYS  48          1HZ       LYS  48  -6.676  -9.736 -12.157
  399   2HZ   LYS  48          2HZ       LYS  48  -7.425  -9.969 -13.655
  400   3HZ   LYS  48          3HZ       LYS  48  -8.333 -10.074 -12.233
  401    H    GLN  49           H        GLN  49  -7.212  -2.622  -9.569
  402    HA   GLN  49           HA       GLN  49  -5.519  -2.388  -7.269
  403   1HB   GLN  49          1HB       GLN  49  -7.012  -0.565  -8.159
  404   2HB   GLN  49          2HB       GLN  49  -8.386  -1.479  -7.549
  405   1HG   GLN  49          1HG       GLN  49  -7.657  -1.223  -5.300
  406   2HG   GLN  49          2HG       GLN  49  -6.113  -0.546  -5.817
  407   1HE2  GLN  49          1HE2      GLN  49  -9.431   0.130  -6.854
  408   2HE2  GLN  49          2HE2      GLN  49  -9.396   1.813  -6.463
  409    H    LEU  50           H        LEU  50  -5.428  -3.756  -5.626
  410    HA   LEU  50           HA       LEU  50  -7.297  -5.907  -5.358
  411   1HB   LEU  50          1HB       LEU  50  -5.194  -5.095  -3.360
  412   2HB   LEU  50          2HB       LEU  50  -5.913  -6.680  -3.576
  413    HG   LEU  50           HG       LEU  50  -3.873  -5.305  -5.296
  414   1HD1  LEU  50          1HD1      LEU  50  -3.474  -8.094  -4.822
  415   2HD1  LEU  50          2HD1      LEU  50  -3.792  -7.277  -3.293
  416   3HD1  LEU  50          3HD1      LEU  50  -2.476  -6.726  -4.329
  417   1HD2  LEU  50          1HD2      LEU  50  -4.242  -7.520  -6.687
  418   2HD2  LEU  50          2HD2      LEU  50  -5.161  -6.053  -7.026
  419   3HD2  LEU  50          3HD2      LEU  50  -5.887  -7.347  -6.073
  420    H    GLU  51           H        GLU  51  -9.029  -6.068  -4.068
  421    HA   GLU  51           HA       GLU  51  -9.719  -3.751  -2.424
  422   1HB   GLU  51          1HB       GLU  51 -11.514  -6.094  -3.013
  423   2HB   GLU  51          2HB       GLU  51 -11.970  -4.461  -2.549
  424   1HG   GLU  51          1HG       GLU  51 -11.697  -3.633  -4.657
  425   2HG   GLU  51          2HG       GLU  51 -10.488  -4.839  -5.094
  426    H    ASP  52           H        ASP  52  -9.568  -3.787  -0.283
  427    HA   ASP  52           HA       ASP  52  -8.440  -5.863   1.168
  428   1HB   ASP  52          1HB       ASP  52  -8.400  -3.688   2.119
  429   2HB   ASP  52          2HB       ASP  52 -10.153  -3.536   2.030
  430    H    GLY  53           H        GLY  53  -9.336  -7.862   0.998
  431   1HA   GLY  53          1HA       GLY  53 -11.011  -9.060   2.549
  432   2HA   GLY  53          2HA       GLY  53 -12.196  -8.144   1.631
  433    H    ARG  54           H        ARG  54 -10.060  -8.628  -0.656
  434    HA   ARG  54           HA       ARG  54 -11.409 -11.018  -1.633
  435   1HB   ARG  54          1HB       ARG  54  -9.466  -9.175  -3.039
  436   2HB   ARG  54          2HB       ARG  54 -10.397 -10.463  -3.793
  437   1HG   ARG  54          1HG       ARG  54 -11.666  -8.128  -2.388
  438   2HG   ARG  54          2HG       ARG  54 -11.281  -8.133  -4.111
  439   1HD   ARG  54          1HD       ARG  54 -13.457  -8.848  -4.168
  440   2HD   ARG  54          2HD       ARG  54 -12.612 -10.391  -4.082
  441    HE   ARG  54           HE       ARG  54 -13.263  -9.388  -1.495
  442   1HH1  ARG  54          1HH1      ARG  54 -15.807 -11.847  -3.369
  443   2HH1  ARG  54          2HH1      ARG  54 -14.570 -11.036  -4.270
  444   1HH2  ARG  54          1HH2      ARG  54 -14.887 -10.451  -0.297
  445   2HH2  ARG  54          2HH2      ARG  54 -15.986 -11.514  -1.108
  446    H    THR  55           H        THR  55 -10.344 -12.883  -2.316
  447    HA   THR  55           HA       THR  55  -7.822 -13.377  -0.950
  448    HB   THR  55           HB       THR  55  -8.276 -15.672  -1.178
  449    HG1  THR  55           HG1      THR  55 -10.021 -16.345  -2.639
  450   1HG2  THR  55          1HG2      THR  55 -10.613 -14.021  -0.558
  451   2HG2  THR  55          2HG2      THR  55  -9.879 -15.345   0.345
  452   3HG2  THR  55          3HG2      THR  55 -10.972 -15.691  -0.996
  453    H    LEU  56           H        LEU  56  -5.913 -13.858  -1.930
  454    HA   LEU  56           HA       LEU  56  -5.164 -12.772  -4.291
  455   1HB   LEU  56          1HB       LEU  56  -4.039 -15.416  -3.403
  456   2HB   LEU  56          2HB       LEU  56  -3.215 -14.120  -4.246
  457    HG   LEU  56           HG       LEU  56  -4.024 -14.232  -1.353
  458   1HD1  LEU  56          1HD1      LEU  56  -1.377 -13.273  -2.079
  459   2HD1  LEU  56          2HD1      LEU  56  -1.699 -14.909  -2.657
  460   3HD1  LEU  56          3HD1      LEU  56  -1.855 -14.533  -0.941
  461   1HD2  LEU  56          1HD2      LEU  56  -3.533 -11.943  -1.079
  462   2HD2  LEU  56          2HD2      LEU  56  -4.628 -12.030  -2.458
  463   3HD2  LEU  56          3HD2      LEU  56  -2.899 -11.801  -2.718
  464    H    SER  57           H        SER  57  -6.679 -15.909  -3.838
  465    HA   SER  57           HA       SER  57  -6.308 -16.889  -6.457
  466   1HB   SER  57          1HB       SER  57  -6.927 -18.524  -4.905
  467   2HB   SER  57          2HB       SER  57  -8.224 -17.534  -4.236
  468    HG   SER  57           HG       SER  57  -8.887 -19.311  -5.643
  469    H    ASP  58           H        ASP  58  -8.727 -14.801  -5.014
  470    HA   ASP  58           HA       ASP  58 -10.696 -14.890  -6.977
  471   1HB   ASP  58          1HB       ASP  58  -9.825 -12.780  -5.027
  472   2HB   ASP  58          2HB       ASP  58 -11.081 -12.425  -6.211
  473    H    TYR  59           H        TYR  59  -7.586 -13.339  -6.980
  474    HA   TYR  59           HA       TYR  59  -8.228 -11.949  -9.484
  475   1HB   TYR  59          1HB       TYR  59  -5.928 -11.640  -7.550
  476   2HB   TYR  59          2HB       TYR  59  -6.011 -10.810  -9.100
  477    HD1  TYR  59           HD1      TYR  59  -8.257  -9.454  -9.496
  478    HD2  TYR  59           HD2      TYR  59  -6.721 -10.547  -5.672
  479    HE1  TYR  59           HE1      TYR  59  -9.568  -7.644  -8.459
  480    HE2  TYR  59           HE2      TYR  59  -8.029  -8.740  -4.625
  481    HH   TYR  59           HH       TYR  59 -10.233  -6.720  -6.536
  482    H    ASN  60           H        ASN  60  -7.821 -14.840  -9.294
  483    HA   ASN  60           HA       ASN  60  -6.541 -16.545 -10.162
  484   1HB   ASN  60          1HB       ASN  60  -5.914 -15.972 -12.619
  485   2HB   ASN  60          2HB       ASN  60  -7.615 -16.010 -12.162
  486   1HD2  ASN  60          1HD2      ASN  60  -4.994 -14.088 -13.252
  487   2HD2  ASN  60          2HD2      ASN  60  -5.871 -12.613 -13.459
  488    H    LEU  61           H        LEU  61  -4.980 -15.003  -8.448
  489    HA   LEU  61           HA       LEU  61  -2.577 -14.065  -9.548
  490   1HB   LEU  61          1HB       LEU  61  -3.507 -14.898  -6.860
  491   2HB   LEU  61          2HB       LEU  61  -1.772 -14.860  -7.113
  492    HG   LEU  61           HG       LEU  61  -3.113 -12.754  -6.210
  493   1HD1  LEU  61          1HD1      LEU  61  -0.901 -12.339  -6.229
  494   2HD1  LEU  61          2HD1      LEU  61  -1.293 -11.423  -7.684
  495   3HD1  LEU  61          3HD1      LEU  61  -0.668 -13.067  -7.818
  496   1HD2  LEU  61          1HD2      LEU  61  -3.043 -12.110  -9.134
  497   2HD2  LEU  61          2HD2      LEU  61  -3.864 -11.260  -7.824
  498   3HD2  LEU  61          3HD2      LEU  61  -4.479 -12.813  -8.389
  499    H    GLN  62           H        GLN  62  -0.520 -15.010  -9.704
  500    HA   GLN  62           HA       GLN  62  -0.523 -17.956  -9.762
  501   1HB   GLN  62          1HB       GLN  62   0.683 -15.974 -11.677
  502   2HB   GLN  62          2HB       GLN  62   1.281 -17.625 -11.572
  503   1HG   GLN  62          1HG       GLN  62  -1.502 -17.835 -11.781
  504   2HG   GLN  62          2HG       GLN  62  -1.017 -16.601 -12.944
  505   1HE2  GLN  62          1HE2      GLN  62  -0.724 -17.410 -14.880
  506   2HE2  GLN  62          2HE2      GLN  62  -0.051 -18.956 -15.255
  507    H    LYS  63           H        LYS  63   1.972 -18.656  -9.984
  508    HA   LYS  63           HA       LYS  63   3.133 -17.954  -7.473
  509   1HB   LYS  63          1HB       LYS  63   3.298 -20.221  -8.433
  510   2HB   LYS  63          2HB       LYS  63   4.291 -19.587  -9.738
  511   1HG   LYS  63          1HG       LYS  63   5.520 -18.749  -7.364
  512   2HG   LYS  63          2HG       LYS  63   5.064 -20.438  -7.117
  513   1HD   LYS  63          1HD       LYS  63   6.281 -19.804  -9.727
  514   2HD   LYS  63          2HD       LYS  63   7.346 -19.658  -8.327
  515   1HE   LYS  63          1HE       LYS  63   5.802 -22.079  -9.229
  516   2HE   LYS  63          2HE       LYS  63   7.553 -21.881  -9.158
  517   1HZ   LYS  63          1HZ       LYS  63   6.832 -21.403  -6.616
  518   2HZ   LYS  63          2HZ       LYS  63   7.339 -22.909  -7.196
  519   3HZ   LYS  63          3HZ       LYS  63   5.688 -22.568  -7.063
  520    H    GLU  64           H        GLU  64   4.440 -16.310  -7.049
  521    HA   GLU  64           HA       GLU  64   5.992 -14.660  -7.273
  522   1HB   GLU  64          1HB       GLU  64   6.737 -15.946  -9.902
  523   2HB   GLU  64          2HB       GLU  64   7.724 -14.861  -8.932
  524   1HG   GLU  64          1HG       GLU  64   7.759 -16.572  -7.142
  525   2HG   GLU  64          2HG       GLU  64   6.888 -17.662  -8.220
  526    H    SER  65           H        SER  65   4.204 -13.203  -7.502
  527    HA   SER  65           HA       SER  65   3.801 -12.227 -10.251
  528   1HB   SER  65          1HB       SER  65   2.010 -12.189  -7.829
  529   2HB   SER  65          2HB       SER  65   1.728 -11.119  -9.201
  530    HG   SER  65           HG       SER  65   1.817 -13.152 -10.479
  531    H    THR  66           H        THR  66   4.215 -10.131 -10.744
  532    HA   THR  66           HA       THR  66   5.564  -8.549  -8.684
  533    HB   THR  66           HB       THR  66   5.504  -8.337 -11.696
  534    HG1  THR  66           HG1      THR  66   7.434  -9.209 -11.593
  535   1HG2  THR  66          1HG2      THR  66   5.653  -6.103 -10.414
  536   2HG2  THR  66          2HG2      THR  66   6.833  -6.454 -11.678
  537   3HG2  THR  66          3HG2      THR  66   7.272  -6.652  -9.981
  538    H    ILE  67           H        ILE  67   4.039  -7.478  -7.538
  539    HA   ILE  67           HA       ILE  67   1.995  -5.967  -9.016
  540    HB   ILE  67           HB       ILE  67   2.111  -6.648  -6.075
  541   1HG1  ILE  67          1HG1      ILE  67  -0.055  -7.932  -6.896
  542   2HG1  ILE  67          2HG1      ILE  67   0.791  -7.908  -8.441
  543   1HG2  ILE  67          1HG2      ILE  67   0.826  -4.779  -6.006
  544   2HG2  ILE  67          2HG2      ILE  67  -0.427  -5.931  -6.469
  545   3HG2  ILE  67          3HG2      ILE  67   0.336  -4.917  -7.694
  546   1HD1  ILE  67          1HD1      ILE  67   1.176  -9.627  -6.201
  547   2HD1  ILE  67          2HD1      ILE  67   2.664  -8.738  -6.525
  548   3HD1  ILE  67          3HD1      ILE  67   1.914  -9.695  -7.801
  549    H    HIS  68           H        HIS  68   1.636  -3.774  -8.584
  550    HA   HIS  68           HA       HIS  68   4.001  -2.371  -7.584
  551   1HB   HIS  68          1HB       HIS  68   1.628  -1.264  -9.101
  552   2HB   HIS  68          2HB       HIS  68   3.132  -0.418  -8.746
  553    HD1  HIS  68           HD1      HIS  68   3.294  -0.108 -11.388
  554    HD2  HIS  68           HD2      HIS  68   3.668  -4.006  -9.997
  555    HE1  HIS  68           HE1      HIS  68   4.286  -1.410 -13.297
  556    HE2  HIS  68           HE2      HIS  68   4.429  -3.781 -12.459
  557    H    LEU  69           H        LEU  69   4.010  -1.313  -5.711
  558    HA   LEU  69           HA       LEU  69   1.435  -0.907  -4.338
  559   1HB   LEU  69          1HB       LEU  69   2.785  -2.501  -3.153
  560   2HB   LEU  69          2HB       LEU  69   4.184  -1.447  -3.228
  561    HG   LEU  69           HG       LEU  69   2.398   0.138  -1.908
  562   1HD1  LEU  69          1HD1      LEU  69   0.679  -1.458  -1.665
  563   2HD1  LEU  69          2HD1      LEU  69   1.497  -1.388  -0.105
  564   3HD1  LEU  69          3HD1      LEU  69   1.816  -2.726  -1.207
  565   1HD2  LEU  69          1HD2      LEU  69   3.764  -1.491   0.001
  566   2HD2  LEU  69          2HD2      LEU  69   4.120   0.158  -0.514
  567   3HD2  LEU  69          3HD2      LEU  69   4.813  -1.208  -1.388
  568    H    VAL  70           H        VAL  70   0.840   1.076  -3.848
  569    HA   VAL  70           HA       VAL  70   2.871   3.205  -3.851
  570    HB   VAL  70           HB       VAL  70   0.191   4.059  -4.676
  571   1HG1  VAL  70          1HG1      VAL  70   2.988   4.743  -5.100
  572   2HG1  VAL  70          2HG1      VAL  70   1.552   5.766  -5.135
  573   3HG1  VAL  70          3HG1      VAL  70   2.020   4.854  -6.570
  574   1HG2  VAL  70          1HG2      VAL  70   0.252   3.196  -6.911
  575   2HG2  VAL  70          2HG2      VAL  70   0.351   1.836  -5.792
  576   3HG2  VAL  70          3HG2      VAL  70   1.801   2.407  -6.616
  577    H    LEU  71           H        LEU  71   1.120   5.279  -3.268
  578    HA   LEU  71           HA       LEU  71   0.063   4.538  -0.622
  579   1HB   LEU  71          1HB       LEU  71   2.315   6.024  -0.990
  580   2HB   LEU  71          2HB       LEU  71   1.094   7.280  -0.915
  581    HG   LEU  71           HG       LEU  71   0.941   5.240   1.214
  582   1HD1  LEU  71          1HD1      LEU  71   3.324   7.002   0.828
  583   2HD1  LEU  71          2HD1      LEU  71   3.246   5.320   1.354
  584   3HD1  LEU  71          3HD1      LEU  71   2.758   6.610   2.452
  585   1HD2  LEU  71          1HD2      LEU  71   0.762   8.241   1.068
  586   2HD2  LEU  71          2HD2      LEU  71   0.628   7.323   2.567
  587   3HD2  LEU  71          3HD2      LEU  71  -0.556   7.090   1.283
  588    H    ARG  72           H        ARG  72  -1.778   5.628   0.079
  589    HA   ARG  72           HA       ARG  72  -3.527   6.532  -1.977
  590   1HB   ARG  72          1HB       ARG  72  -4.318   5.320   0.022
  591   2HB   ARG  72          2HB       ARG  72  -3.851   6.686   1.026
  592   1HG   ARG  72          1HG       ARG  72  -5.458   8.092  -0.254
  593   2HG   ARG  72          2HG       ARG  72  -5.996   6.630  -1.082
  594   1HD   ARG  72          1HD       ARG  72  -7.530   6.718   0.611
  595   2HD   ARG  72          2HD       ARG  72  -6.280   5.742   1.380
  596    HE   ARG  72           HE       ARG  72  -7.003   8.482   2.018
  597   1HH1  ARG  72          1HH1      ARG  72  -4.088   6.493   3.908
  598   2HH1  ARG  72          2HH1      ARG  72  -4.753   5.856   2.442
  599   1HH2  ARG  72          1HH2      ARG  72  -6.133   9.329   3.947
  600   2HH2  ARG  72          2HH2      ARG  72  -4.872   8.466   4.763
  601    H    LEU  73           H        LEU  73  -4.546   8.597  -2.145
  602    HA   LEU  73           HA       LEU  73  -2.838  10.768  -2.213
  603   1HB   LEU  73          1HB       LEU  73  -5.757  10.378  -2.389
  604   2HB   LEU  73          2HB       LEU  73  -5.243  11.998  -1.958
  605    HG   LEU  73           HG       LEU  73  -5.616  11.328  -4.468
  606   1HD1  LEU  73          1HD1      LEU  73  -3.071  12.795  -4.042
  607   2HD1  LEU  73          2HD1      LEU  73  -4.533  13.433  -3.291
  608   3HD1  LEU  73          3HD1      LEU  73  -4.466  13.209  -5.040
  609   1HD2  LEU  73          1HD2      LEU  73  -3.903  10.295  -5.584
  610   2HD2  LEU  73          2HD2      LEU  73  -3.862   9.426  -4.051
  611   3HD2  LEU  73          3HD2      LEU  73  -2.704  10.720  -4.363
  612    H    ARG  74           H        ARG  74  -2.465  12.542  -0.898
  613    HA   ARG  74           HA       ARG  74  -3.332  12.226   1.901
  614   1HB   ARG  74          1HB       ARG  74  -0.809  12.051   1.166
  615   2HB   ARG  74          2HB       ARG  74  -0.905  13.807   1.153
  616   1HG   ARG  74          1HG       ARG  74  -1.989  12.543   3.566
  617   2HG   ARG  74          2HG       ARG  74  -0.258  12.307   3.314
  618   1HD   ARG  74          1HD       ARG  74  -0.164  14.829   2.895
  619   2HD   ARG  74          2HD       ARG  74  -1.780  14.881   3.598
  620    HE   ARG  74           HE       ARG  74  -0.030  13.481   5.312
  621   1HH1  ARG  74          1HH1      ARG  74  -0.163  17.470   5.625
  622   2HH1  ARG  74          2HH1      ARG  74  -0.739  16.699   4.186
  623   1HH2  ARG  74          1HH2      ARG  74   0.732  14.485   7.212
  624   2HH2  ARG  74          2HH2      ARG  74   0.675  16.212   7.347
  625    H    GLY  75           H        GLY  75  -5.176  13.497   1.762
  626   1HA   GLY  75          1HA       GLY  75  -5.320  16.006   2.508
  627   2HA   GLY  75          2HA       GLY  75  -4.868  16.259   0.829
  628    H    GLY  76           H        GLY  76  -7.237  14.377   2.723
  629   1HA   GLY  76          1HA       GLY  76  -9.471  15.585   1.475
  630   2HA   GLY  76          2HA       GLY  76  -9.122  14.048   0.700
  Start of MODEL   18
    1   1H    MET   1          1H        MET   1   2.047 -19.949  -2.593
    2   2H    MET   1          2H        MET   1   3.429 -19.673  -1.614
    3   3H    MET   1          3H        MET   1   3.314 -21.102  -2.557
    4    HA   MET   1           HA       MET   1   4.514 -20.040  -4.017
    5   1HB   MET   1          1HB       MET   1   3.205 -18.798  -5.611
    6   2HB   MET   1          2HB       MET   1   2.197 -20.078  -4.949
    7   1HG   MET   1          1HG       MET   1   1.133 -18.464  -3.454
    8   2HG   MET   1          2HG       MET   1   2.138 -17.182  -4.128
    9   1HE   MET   1          1HE       MET   1  -0.479 -16.164  -4.233
   10   2HE   MET   1          2HE       MET   1  -1.272 -17.720  -3.985
   11   3HE   MET   1          3HE       MET   1  -1.665 -16.747  -5.402
   12    H    GLN   2           H        GLN   2   5.698 -18.170  -4.661
   13    HA   GLN   2           HA       GLN   2   5.956 -16.223  -2.510
   14   1HB   GLN   2          1HB       GLN   2   7.731 -17.422  -4.434
   15   2HB   GLN   2          2HB       GLN   2   7.830 -15.670  -4.540
   16   1HG   GLN   2          1HG       GLN   2   8.528 -15.458  -2.320
   17   2HG   GLN   2          2HG       GLN   2   8.017 -17.096  -1.913
   18   1HE2  GLN   2          1HE2      GLN   2  10.348 -16.807  -1.053
   19   2HE2  GLN   2          2HE2      GLN   2  11.591 -17.397  -2.097
   20    H    LEU   3           H        LEU   3   6.194 -13.930  -2.994
   21    HA   LEU   3           HA       LEU   3   4.962 -13.027  -5.484
   22   1HB   LEU   3          1HB       LEU   3   3.985 -11.831  -2.924
   23   2HB   LEU   3          2HB       LEU   3   3.226 -11.841  -4.505
   24    HG   LEU   3           HG       LEU   3   3.499 -14.290  -2.765
   25   1HD1  LEU   3          1HD1      LEU   3   1.861 -12.093  -2.304
   26   2HD1  LEU   3          2HD1      LEU   3   1.681 -13.712  -1.628
   27   3HD1  LEU   3          3HD1      LEU   3   0.820 -13.272  -3.102
   28   1HD2  LEU   3          1HD2      LEU   3   2.875 -13.968  -5.484
   29   2HD2  LEU   3          2HD2      LEU   3   1.353 -14.313  -4.662
   30   3HD2  LEU   3          3HD2      LEU   3   2.714 -15.424  -4.503
   31    H    PHE   4           H        PHE   4   5.771 -11.135  -6.221
   32    HA   PHE   4           HA       PHE   4   7.817  -9.844  -4.556
   33   1HB   PHE   4          1HB       PHE   4   7.422  -9.952  -7.546
   34   2HB   PHE   4          2HB       PHE   4   8.576  -8.868  -6.777
   35    HD1  PHE   4           HD1      PHE   4   8.065 -12.091  -8.140
   36    HD2  PHE   4           HD2      PHE   4  10.313  -9.972  -5.199
   37    HE1  PHE   4           HE1      PHE   4   9.739 -13.900  -8.121
   38    HE2  PHE   4           HE2      PHE   4  11.991 -11.778  -5.176
   39    HZ   PHE   4           HZ       PHE   4  11.705 -13.744  -6.638
   40    H    VAL   5           H        VAL   5   7.549  -7.828  -3.846
   41    HA   VAL   5           HA       VAL   5   5.363  -6.227  -5.008
   42    HB   VAL   5           HB       VAL   5   6.294  -6.315  -2.136
   43   1HG1  VAL   5          1HG1      VAL   5   5.559  -4.224  -1.968
   44   2HG1  VAL   5          2HG1      VAL   5   3.940  -4.835  -2.308
   45   3HG1  VAL   5          3HG1      VAL   5   4.952  -4.240  -3.624
   46   1HG2  VAL   5          1HG2      VAL   5   4.796  -8.165  -3.042
   47   2HG2  VAL   5          2HG2      VAL   5   3.550  -6.927  -3.197
   48   3HG2  VAL   5          3HG2      VAL   5   4.226  -7.305  -1.613
   49    H    LYS   6           H        LYS   6   6.269  -4.698  -6.230
   50    HA   LYS   6           HA       LYS   6   8.763  -3.439  -5.349
   51   1HB   LYS   6          1HB       LYS   6   9.040  -2.671  -7.587
   52   2HB   LYS   6          2HB       LYS   6   8.540  -4.354  -7.686
   53   1HG   LYS   6          1HG       LYS   6   6.154  -3.361  -7.929
   54   2HG   LYS   6          2HG       LYS   6   7.013  -1.884  -8.372
   55   1HD   LYS   6          1HD       LYS   6   7.508  -4.549  -9.685
   56   2HD   LYS   6          2HD       LYS   6   6.355  -3.362 -10.297
   57   1HE   LYS   6          1HE       LYS   6   8.111  -1.744 -10.606
   58   2HE   LYS   6          2HE       LYS   6   9.285  -2.817  -9.843
   59   1HZ   LYS   6          1HZ       LYS   6   9.585  -3.923 -11.736
   60   2HZ   LYS   6          2HZ       LYS   6   8.788  -2.647 -12.506
   61   3HZ   LYS   6          3HZ       LYS   6   7.928  -4.033 -12.059
   62    H    THR   7           H        THR   7   8.932  -1.288  -4.894
   63    HA   THR   7           HA       THR   7   6.407   0.137  -4.511
   64    HB   THR   7           HB       THR   7   7.438   1.357  -2.841
   65    HG1  THR   7           HG1      THR   7   9.476   2.025  -2.902
   66   1HG2  THR   7          1HG2      THR   7   9.061  -1.175  -2.911
   67   2HG2  THR   7          2HG2      THR   7   7.519  -0.929  -2.093
   68   3HG2  THR   7          3HG2      THR   7   8.956  -0.070  -1.540
   69    H    LEU   8           H        LEU   8   7.356   2.752  -4.487
   70    HA   LEU   8           HA       LEU   8   7.362   3.324  -7.297
   71   1HB   LEU   8          1HB       LEU   8   6.782   4.722  -4.879
   72   2HB   LEU   8          2HB       LEU   8   7.960   5.654  -5.784
   73    HG   LEU   8           HG       LEU   8   5.757   6.417  -6.367
   74   1HD1  LEU   8          1HD1      LEU   8   5.930   5.119  -8.858
   75   2HD1  LEU   8          2HD1      LEU   8   7.580   5.288  -8.256
   76   3HD1  LEU   8          3HD1      LEU   8   6.549   6.711  -8.415
   77   1HD2  LEU   8          1HD2      LEU   8   5.186   3.518  -6.934
   78   2HD2  LEU   8          2HD2      LEU   8   4.158   4.841  -7.485
   79   3HD2  LEU   8          3HD2      LEU   8   4.395   4.569  -5.759
   80    H    THR   9           H        THR   9   9.785   2.438  -5.245
   81    HA   THR   9           HA       THR   9  11.807   4.123  -6.542
   82    HB   THR   9           HB       THR   9  13.223   3.723  -4.743
   83    HG1  THR   9           HG1      THR   9  13.238   1.529  -4.630
   84   1HG2  THR   9          1HG2      THR   9  12.069   4.735  -3.158
   85   2HG2  THR   9          2HG2      THR   9  11.124   3.277  -2.855
   86   3HG2  THR   9          3HG2      THR   9  10.599   4.429  -4.083
   87    H    GLY  10           H        GLY  10  11.455   0.714  -5.531
   88   1HA   GLY  10          1HA       GLY  10  11.769  -0.571  -7.891
   89   2HA   GLY  10          2HA       GLY  10  13.417  -0.130  -7.475
   90    H    LYS  11           H        LYS  11  13.165  -0.438  -4.649
   91    HA   LYS  11           HA       LYS  11  14.009  -2.957  -4.187
   92   1HB   LYS  11          1HB       LYS  11  12.924  -0.834  -2.570
   93   2HB   LYS  11          2HB       LYS  11  12.390  -2.391  -1.950
   94   1HG   LYS  11          1HG       LYS  11  15.065  -2.803  -2.440
   95   2HG   LYS  11          2HG       LYS  11  15.010  -1.141  -1.847
   96   1HD   LYS  11          1HD       LYS  11  13.857  -3.569  -0.476
   97   2HD   LYS  11          2HD       LYS  11  15.313  -2.692  -0.001
   98   1HE   LYS  11          1HE       LYS  11  12.878  -1.058  -0.262
   99   2HE   LYS  11          2HE       LYS  11  12.852  -2.248   1.038
  100   1HZ   LYS  11          1HZ       LYS  11  13.867   0.168   1.333
  101   2HZ   LYS  11          2HZ       LYS  11  15.259  -0.625   0.792
  102   3HZ   LYS  11          3HZ       LYS  11  14.461  -1.172   2.178
  103    H    THR  12           H        THR  12  13.211  -4.937  -4.393
  104    HA   THR  12           HA       THR  12  10.292  -5.256  -4.563
  105    HB   THR  12           HB       THR  12  12.209  -7.352  -5.502
  106    HG1  THR  12           HG1      THR  12  12.035  -6.197  -7.594
  107   1HG2  THR  12          1HG2      THR  12  10.544  -7.993  -6.977
  108   2HG2  THR  12          2HG2      THR  12   9.713  -6.440  -6.870
  109   3HG2  THR  12          3HG2      THR  12   9.654  -7.568  -5.515
  110    H    LEU  13           H        LEU  13   9.379  -6.060  -2.801
  111    HA   LEU  13           HA       LEU  13  10.954  -7.626  -0.919
  112   1HB   LEU  13          1HB       LEU  13   8.384  -6.147  -0.837
  113   2HB   LEU  13          2HB       LEU  13   8.528  -7.534   0.225
  114    HG   LEU  13           HG       LEU  13  10.800  -5.654   0.312
  115   1HD1  LEU  13          1HD1      LEU  13   9.738  -3.789   0.895
  116   2HD1  LEU  13          2HD1      LEU  13   8.659  -4.661   1.984
  117   3HD1  LEU  13          3HD1      LEU  13   8.266  -4.531   0.270
  118   1HD2  LEU  13          1HD2      LEU  13  10.976  -6.377   2.460
  119   2HD2  LEU  13          2HD2      LEU  13  10.104  -7.751   1.782
  120   3HD2  LEU  13          3HD2      LEU  13   9.231  -6.508   2.679
  121    H    THR  14           H        THR  14  10.733  -9.764  -0.563
  122    HA   THR  14           HA       THR  14   8.797 -11.199  -2.250
  123    HB   THR  14           HB       THR  14  11.428 -12.084  -1.058
  124    HG1  THR  14           HG1      THR  14  10.834 -10.898  -3.317
  125   1HG2  THR  14          1HG2      THR  14  10.998 -14.113  -2.582
  126   2HG2  THR  14          2HG2      THR  14   9.298 -13.676  -2.415
  127   3HG2  THR  14          3HG2      THR  14  10.252 -14.069  -0.985
  128    H    VAL  15           H        VAL  15   7.138 -12.167  -1.304
  129    HA   VAL  15           HA       VAL  15   7.386 -12.979   1.515
  130    HB   VAL  15           HB       VAL  15   4.803 -12.454   1.517
  131   1HG1  VAL  15          1HG1      VAL  15   5.270 -10.619   2.808
  132   2HG1  VAL  15          2HG1      VAL  15   6.515 -10.025   1.710
  133   3HG1  VAL  15          3HG1      VAL  15   6.855 -11.392   2.772
  134   1HG2  VAL  15          1HG2      VAL  15   5.853 -10.496  -0.525
  135   2HG2  VAL  15          2HG2      VAL  15   4.255 -10.459   0.220
  136   3HG2  VAL  15          3HG2      VAL  15   4.704 -11.797  -0.837
  137    H    GLU  16           H        GLU  16   6.113 -14.775   2.152
  138    HA   GLU  16           HA       GLU  16   5.260 -16.460  -0.108
  139   1HB   GLU  16          1HB       GLU  16   6.402 -17.202   2.585
  140   2HB   GLU  16          2HB       GLU  16   5.666 -18.373   1.499
  141   1HG   GLU  16          1HG       GLU  16   7.997 -18.505   1.172
  142   2HG   GLU  16          2HG       GLU  16   7.335 -17.671  -0.233
  143    H    LEU  17           H        LEU  17   3.155 -16.790  -0.282
  144    HA   LEU  17           HA       LEU  17   1.533 -17.189   2.097
  145   1HB   LEU  17          1HB       LEU  17   1.027 -14.998   0.091
  146   2HB   LEU  17          2HB       LEU  17  -0.211 -15.600   1.176
  147    HG   LEU  17           HG       LEU  17   2.396 -14.494   2.197
  148   1HD1  LEU  17          1HD1      LEU  17   1.789 -12.438   1.638
  149   2HD1  LEU  17          2HD1      LEU  17   0.307 -12.631   2.574
  150   3HD1  LEU  17          3HD1      LEU  17   0.331 -13.057   0.863
  151   1HD2  LEU  17          1HD2      LEU  17  -0.320 -14.829   3.462
  152   2HD2  LEU  17          2HD2      LEU  17   1.115 -14.166   4.244
  153   3HD2  LEU  17          3HD2      LEU  17   1.086 -15.856   3.743
  154    H    GLU  18           H        GLU  18  -0.858 -17.599   1.303
  155    HA   GLU  18           HA       GLU  18  -0.672 -19.421  -1.005
  156   1HB   GLU  18          1HB       GLU  18  -2.403 -19.598   1.465
  157   2HB   GLU  18          2HB       GLU  18  -2.527 -20.685   0.088
  158   1HG   GLU  18          1HG       GLU  18   0.182 -20.506   1.077
  159   2HG   GLU  18          2HG       GLU  18  -0.946 -21.011   2.333
  160    HA   PRO  19           HA       PRO  19  -3.837 -17.261  -3.163
  161   1HB   PRO  19          1HB       PRO  19  -5.431 -19.302  -4.060
  162   2HB   PRO  19          2HB       PRO  19  -3.882 -18.869  -4.788
  163   1HG   PRO  19          1HG       PRO  19  -4.517 -21.044  -2.832
  164   2HG   PRO  19          2HG       PRO  19  -3.462 -21.093  -4.257
  165   1HD   PRO  19          1HD       PRO  19  -2.470 -20.855  -1.769
  166   2HD   PRO  19          2HD       PRO  19  -1.717 -20.039  -3.155
  167    H    SER  20           H        SER  20  -4.666 -19.385  -0.572
  168    HA   SER  20           HA       SER  20  -7.451 -18.663  -0.475
  169   1HB   SER  20          1HB       SER  20  -7.060 -19.748   1.938
  170   2HB   SER  20          2HB       SER  20  -7.218 -20.733   0.484
  171    HG   SER  20           HG       SER  20  -5.337 -21.470   1.069
  172    H    ASP  21           H        ASP  21  -4.537 -17.257   0.549
  173    HA   ASP  21           HA       ASP  21  -5.425 -15.911   2.879
  174   1HB   ASP  21          1HB       ASP  21  -3.192 -15.235   0.954
  175   2HB   ASP  21          2HB       ASP  21  -3.436 -14.463   2.519
  176    H    THR  22           H        THR  22  -5.650 -13.536   3.063
  177    HA   THR  22           HA       THR  22  -7.072 -12.436   0.729
  178    HB   THR  22           HB       THR  22  -8.599 -11.338   2.174
  179    HG1  THR  22           HG1      THR  22  -7.178 -12.238   4.439
  180   1HG2  THR  22          1HG2      THR  22  -8.297 -14.140   2.372
  181   2HG2  THR  22          2HG2      THR  22  -9.758 -13.171   2.570
  182   3HG2  THR  22          3HG2      THR  22  -8.740 -13.528   3.966
  183    H    VAL  23           H        VAL  23  -7.070 -10.067   0.567
  184    HA   VAL  23           HA       VAL  23  -4.564  -8.967   0.424
  185    HB   VAL  23           HB       VAL  23  -7.174  -7.519   0.884
  186   1HG1  VAL  23          1HG1      VAL  23  -5.956  -5.588  -0.182
  187   2HG1  VAL  23          2HG1      VAL  23  -4.461  -6.487   0.089
  188   3HG1  VAL  23          3HG1      VAL  23  -5.454  -5.992   1.461
  189   1HG2  VAL  23          1HG2      VAL  23  -7.635  -7.958  -1.244
  190   2HG2  VAL  23          2HG2      VAL  23  -6.194  -8.973  -1.323
  191   3HG2  VAL  23          3HG2      VAL  23  -6.094  -7.264  -1.752
  192    H    GLU  24           H        GLU  24  -6.794  -8.938   3.154
  193    HA   GLU  24           HA       GLU  24  -5.564  -7.097   4.810
  194   1HB   GLU  24          1HB       GLU  24  -7.471  -9.240   5.100
  195   2HB   GLU  24          2HB       GLU  24  -6.379  -9.219   6.477
  196   1HG   GLU  24          1HG       GLU  24  -6.907  -6.870   6.868
  197   2HG   GLU  24          2HG       GLU  24  -7.998  -6.885   5.483
  198    H    ASN  25           H        ASN  25  -4.864 -10.556   4.441
  199    HA   ASN  25           HA       ASN  25  -2.812 -10.682   6.367
  200   1HB   ASN  25          1HB       ASN  25  -3.097 -12.382   3.880
  201   2HB   ASN  25          2HB       ASN  25  -2.206 -12.797   5.341
  202   1HD2  ASN  25          1HD2      ASN  25  -3.801 -12.289   7.359
  203   2HD2  ASN  25          2HD2      ASN  25  -5.284 -13.169   7.253
  204    H    LEU  26           H        LEU  26  -2.653 -10.358   2.821
  205    HA   LEU  26           HA       LEU  26   0.081 -10.172   2.508
  206   1HB   LEU  26          1HB       LEU  26  -1.364 -10.267   0.596
  207   2HB   LEU  26          2HB       LEU  26  -2.134  -8.754   1.034
  208    HG   LEU  26           HG       LEU  26   0.098  -7.630   0.652
  209   1HD1  LEU  26          1HD1      LEU  26   1.156 -10.087   0.678
  210   2HD1  LEU  26          2HD1      LEU  26   1.894  -8.730  -0.173
  211   3HD1  LEU  26          3HD1      LEU  26   0.913  -9.897  -1.058
  212   1HD2  LEU  26          1HD2      LEU  26  -0.241  -7.440  -1.695
  213   2HD2  LEU  26          2HD2      LEU  26  -1.827  -7.661  -0.957
  214   3HD2  LEU  26          3HD2      LEU  26  -1.037  -9.012  -1.771
  215    H    LYS  27           H        LYS  27  -2.216  -7.550   3.193
  216    HA   LYS  27           HA       LYS  27  -0.389  -5.441   3.257
  217   1HB   LYS  27          1HB       LYS  27  -2.881  -5.734   4.946
  218   2HB   LYS  27          2HB       LYS  27  -2.063  -4.231   4.544
  219   1HG   LYS  27          1HG       LYS  27  -2.708  -5.642   2.140
  220   2HG   LYS  27          2HG       LYS  27  -4.146  -5.489   3.151
  221   1HD   LYS  27          1HD       LYS  27  -3.701  -3.063   3.348
  222   2HD   LYS  27          2HD       LYS  27  -2.336  -3.251   2.246
  223   1HE   LYS  27          1HE       LYS  27  -3.820  -4.006   0.487
  224   2HE   LYS  27          2HE       LYS  27  -5.196  -3.941   1.586
  225   1HZ   LYS  27          1HZ       LYS  27  -3.630  -1.498   1.208
  226   2HZ   LYS  27          2HZ       LYS  27  -5.288  -1.685   1.491
  227   3HZ   LYS  27          3HZ       LYS  27  -4.655  -1.980  -0.051
  228    H    ALA  28           H        ALA  28  -1.539  -7.552   5.874
  229    HA   ALA  28           HA       ALA  28  -0.272  -6.448   8.038
  230   1HB   ALA  28          1HB       ALA  28  -0.642  -8.426   9.136
  231   2HB   ALA  28          2HB       ALA  28  -0.168  -9.411   7.752
  232   3HB   ALA  28          3HB       ALA  28  -1.743  -8.616   7.771
  233    H    LYS  29           H        LYS  29   1.093  -8.607   5.591
  234    HA   LYS  29           HA       LYS  29   3.634  -8.923   6.759
  235   1HB   LYS  29          1HB       LYS  29   2.968  -8.932   3.809
  236   2HB   LYS  29          2HB       LYS  29   4.365  -9.678   4.572
  237   1HG   LYS  29          1HG       LYS  29   1.509 -10.482   5.079
  238   2HG   LYS  29          2HG       LYS  29   2.601 -11.288   3.951
  239   1HD   LYS  29          1HD       LYS  29   3.809 -10.974   6.562
  240   2HD   LYS  29          2HD       LYS  29   2.281 -11.854   6.654
  241   1HE   LYS  29          1HE       LYS  29   3.100 -13.647   5.570
  242   2HE   LYS  29          2HE       LYS  29   4.042 -12.664   4.450
  243   1HZ   LYS  29          1HZ       LYS  29   5.010 -12.628   7.168
  244   2HZ   LYS  29          2HZ       LYS  29   5.859 -12.826   5.718
  245   3HZ   LYS  29          3HZ       LYS  29   5.085 -14.150   6.429
  246    H    ILE  30           H        ILE  30   2.450  -6.624   4.316
  247    HA   ILE  30           HA       ILE  30   4.849  -5.252   3.893
  248    HB   ILE  30           HB       ILE  30   2.077  -4.055   3.811
  249   1HG1  ILE  30          1HG1      ILE  30   3.621  -5.695   1.806
  250   2HG1  ILE  30          2HG1      ILE  30   1.989  -5.964   2.410
  251   1HG2  ILE  30          1HG2      ILE  30   3.960  -3.109   1.842
  252   2HG2  ILE  30          2HG2      ILE  30   4.573  -2.870   3.477
  253   3HG2  ILE  30          3HG2      ILE  30   3.008  -2.201   3.016
  254   1HD1  ILE  30          1HD1      ILE  30   2.016  -3.420   1.196
  255   2HD1  ILE  30          2HD1      ILE  30   1.188  -4.884   0.662
  256   3HD1  ILE  30          3HD1      ILE  30   2.826  -4.541   0.102
  257    H    GLN  31           H        GLN  31   2.664  -5.198   6.559
  258    HA   GLN  31           HA       GLN  31   3.729  -2.702   7.617
  259   1HB   GLN  31          1HB       GLN  31   1.293  -3.316   7.794
  260   2HB   GLN  31          2HB       GLN  31   1.760  -4.592   8.912
  261   1HG   GLN  31          1HG       GLN  31   2.629  -2.967  10.468
  262   2HG   GLN  31          2HG       GLN  31   2.302  -1.661   9.330
  263   1HE2  GLN  31          1HE2      GLN  31  -0.192  -2.359   8.426
  264   2HE2  GLN  31          2HE2      GLN  31  -1.328  -2.248   9.723
  265    H    ASP  32           H        ASP  32   4.195  -6.099   7.897
  266    HA   ASP  32           HA       ASP  32   5.582  -5.912  10.440
  267   1HB   ASP  32          1HB       ASP  32   4.222  -7.950   9.085
  268   2HB   ASP  32          2HB       ASP  32   5.912  -8.440   9.120
  269    H    LYS  33           H        LYS  33   6.357  -5.306   7.282
  270    HA   LYS  33           HA       LYS  33   9.194  -5.954   7.753
  271   1HB   LYS  33          1HB       LYS  33   7.575  -6.053   5.217
  272   2HB   LYS  33          2HB       LYS  33   9.328  -5.932   5.185
  273   1HG   LYS  33          1HG       LYS  33   7.864  -8.115   6.643
  274   2HG   LYS  33          2HG       LYS  33   8.380  -8.248   4.960
  275   1HD   LYS  33          1HD       LYS  33  10.713  -7.683   5.775
  276   2HD   LYS  33          2HD       LYS  33  10.098  -7.930   7.411
  277   1HE   LYS  33          1HE       LYS  33   9.317 -10.211   6.610
  278   2HE   LYS  33          2HE       LYS  33  10.306  -9.930   5.177
  279   1HZ   LYS  33          1HZ       LYS  33  12.166 -10.362   6.300
  280   2HZ   LYS  33          2HZ       LYS  33  11.173 -11.037   7.491
  281   3HZ   LYS  33          3HZ       LYS  33  11.702  -9.437   7.639
  282    H    GLU  34           H        GLU  34   7.209  -3.846   5.665
  283    HA   GLU  34           HA       GLU  34   9.236  -1.766   5.849
  284   1HB   GLU  34          1HB       GLU  34   6.924  -2.339   4.086
  285   2HB   GLU  34          2HB       GLU  34   7.304  -0.642   4.346
  286   1HG   GLU  34          1HG       GLU  34   9.681  -1.220   3.690
  287   2HG   GLU  34          2HG       GLU  34   9.044  -2.772   3.146
  288    H    GLY  35           H        GLY  35   6.353  -2.664   7.389
  289   1HA   GLY  35          1HA       GLY  35   5.193  -1.676   9.111
  290   2HA   GLY  35          2HA       GLY  35   6.437  -0.437   9.155
  291    H    ILE  36           H        ILE  36   4.375  -1.264   6.410
  292    HA   ILE  36           HA       ILE  36   3.383   1.498   6.432
  293    HB   ILE  36           HB       ILE  36   3.326  -0.543   4.208
  294   1HG1  ILE  36          1HG1      ILE  36   4.977   1.979   4.383
  295   2HG1  ILE  36          2HG1      ILE  36   5.584   0.406   4.894
  296   1HG2  ILE  36          1HG2      ILE  36   2.377   1.063   2.817
  297   2HG2  ILE  36          2HG2      ILE  36   2.779   2.387   3.912
  298   3HG2  ILE  36          3HG2      ILE  36   1.493   1.255   4.331
  299   1HD1  ILE  36          1HD1      ILE  36   4.549   0.022   2.327
  300   2HD1  ILE  36          2HD1      ILE  36   6.244   0.061   2.817
  301   3HD1  ILE  36          3HD1      ILE  36   5.449   1.538   2.271
  302    HA   PRO  37           HA       PRO  37  -0.576   0.087   7.871
  303   1HB   PRO  37          1HB       PRO  37  -1.593   2.538   6.574
  304   2HB   PRO  37          2HB       PRO  37  -1.697   2.036   8.262
  305   1HG   PRO  37          1HG       PRO  37  -0.057   4.011   7.488
  306   2HG   PRO  37          2HG       PRO  37   0.389   2.884   8.783
  307   1HD   PRO  37          1HD       PRO  37   1.292   2.955   5.933
  308   2HD   PRO  37          2HD       PRO  37   2.215   2.577   7.403
  309    HA   PRO  38           HA       PRO  38  -2.413  -1.924   4.401
  310   1HB   PRO  38          1HB       PRO  38  -4.993  -1.597   5.817
  311   2HB   PRO  38          2HB       PRO  38  -4.180  -3.071   5.283
  312   1HG   PRO  38          1HG       PRO  38  -4.270  -2.399   7.869
  313   2HG   PRO  38          2HG       PRO  38  -2.837  -3.171   7.164
  314   1HD   PRO  38          1HD       PRO  38  -3.292  -0.299   7.870
  315   2HD   PRO  38          2HD       PRO  38  -1.828  -1.289   8.053
  316    H    ASP  39           H        ASP  39  -4.055   0.931   5.709
  317    HA   ASP  39           HA       ASP  39  -5.596   1.406   3.350
  318   1HB   ASP  39          1HB       ASP  39  -5.990   2.203   5.818
  319   2HB   ASP  39          2HB       ASP  39  -4.980   3.563   5.335
  320    H    GLN  40           H        GLN  40  -2.370   1.603   3.781
  321    HA   GLN  40           HA       GLN  40  -2.101   3.905   1.962
  322   1HB   GLN  40          1HB       GLN  40  -0.190   2.831   4.036
  323   2HB   GLN  40          2HB       GLN  40   0.266   4.022   2.827
  324   1HG   GLN  40          1HG       GLN  40  -2.113   4.896   4.126
  325   2HG   GLN  40          2HG       GLN  40  -0.922   4.446   5.346
  326   1HE2  GLN  40          1HE2      GLN  40  -1.533   6.482   2.561
  327   2HE2  GLN  40          2HE2      GLN  40  -0.326   7.664   2.921
  328    H    GLN  41           H        GLN  41  -2.262   0.708   1.822
  329    HA   GLN  41           HA       GLN  41  -0.004   0.402  -0.037
  330   1HB   GLN  41          1HB       GLN  41  -1.668  -1.878   0.980
  331   2HB   GLN  41          2HB       GLN  41  -0.019  -1.903   0.367
  332   1HG   GLN  41          1HG       GLN  41   0.748  -0.738   2.364
  333   2HG   GLN  41          2HG       GLN  41  -0.905  -0.695   2.974
  334   1HE2  GLN  41          1HE2      GLN  41  -0.108  -1.812   4.829
  335   2HE2  GLN  41          2HE2      GLN  41   0.137  -3.522   4.778
  336    H    ARG  42           H        ARG  42  -0.894   1.302  -1.879
  337    HA   ARG  42           HA       ARG  42  -3.400   0.180  -2.888
  338   1HB   ARG  42          1HB       ARG  42  -3.167   2.614  -2.958
  339   2HB   ARG  42          2HB       ARG  42  -1.699   2.461  -3.914
  340   1HG   ARG  42          1HG       ARG  42  -2.869   1.727  -5.803
  341   2HG   ARG  42          2HG       ARG  42  -4.321   1.364  -4.868
  342   1HD   ARG  42          1HD       ARG  42  -3.561   4.133  -4.582
  343   2HD   ARG  42          2HD       ARG  42  -3.768   3.703  -6.279
  344    HE   ARG  42           HE       ARG  42  -5.926   2.736  -4.709
  345   1HH1  ARG  42          1HH1      ARG  42  -6.165   6.413  -6.275
  346   2HH1  ARG  42          2HH1      ARG  42  -4.624   5.634  -6.137
  347   1HH2  ARG  42          1HH2      ARG  42  -7.960   3.752  -4.887
  348   2HH2  ARG  42          2HH2      ARG  42  -8.062   5.343  -5.563
  349    H    LEU  43           H        LEU  43  -2.779  -1.866  -3.539
  350    HA   LEU  43           HA       LEU  43  -0.542  -2.165  -5.369
  351   1HB   LEU  43          1HB       LEU  43  -2.415  -4.375  -4.619
  352   2HB   LEU  43          2HB       LEU  43  -0.713  -4.463  -5.030
  353    HG   LEU  43           HG       LEU  43  -1.915  -3.480  -2.445
  354   1HD1  LEU  43          1HD1      LEU  43   0.140  -5.443  -2.189
  355   2HD1  LEU  43          2HD1      LEU  43  -1.069  -6.016  -3.337
  356   3HD1  LEU  43          3HD1      LEU  43  -1.555  -5.538  -1.711
  357   1HD2  LEU  43          1HD2      LEU  43   0.464  -3.188  -1.734
  358   2HD2  LEU  43          2HD2      LEU  43  -0.092  -2.016  -2.929
  359   3HD2  LEU  43          3HD2      LEU  43   0.932  -3.364  -3.425
  360    H    ILE  44           H        ILE  44  -0.754  -2.023  -7.488
  361    HA   ILE  44           HA       ILE  44  -3.417  -2.448  -8.676
  362    HB   ILE  44           HB       ILE  44  -1.126  -0.862  -9.840
  363   1HG1  ILE  44          1HG1      ILE  44  -1.862   0.374  -7.954
  364   2HG1  ILE  44          2HG1      ILE  44  -2.683   1.096  -9.334
  365   1HG2  ILE  44          1HG2      ILE  44  -3.663  -1.809 -10.876
  366   2HG2  ILE  44          2HG2      ILE  44  -2.284  -1.112 -11.726
  367   3HG2  ILE  44          3HG2      ILE  44  -3.499  -0.058 -11.005
  368   1HD1  ILE  44          1HD1      ILE  44  -4.477   0.936  -8.004
  369   2HD1  ILE  44          2HD1      ILE  44  -3.774  -0.358  -7.032
  370   3HD1  ILE  44          3HD1      ILE  44  -4.514  -0.728  -8.589
  371    H    PHE  45           H        PHE  45  -2.742  -4.779  -8.539
  372    HA   PHE  45           HA       PHE  45  -0.653  -5.923  -9.933
  373   1HB   PHE  45          1HB       PHE  45  -2.213  -7.146  -8.435
  374   2HB   PHE  45          2HB       PHE  45  -3.450  -7.049  -9.685
  375    HD1  PHE  45           HD1      PHE  45   0.149  -8.051  -9.486
  376    HD2  PHE  45           HD2      PHE  45  -3.778  -8.978 -10.867
  377    HE1  PHE  45           HE1      PHE  45   0.998 -10.140 -10.483
  378    HE2  PHE  45           HE2      PHE  45  -2.936 -11.069 -11.865
  379    HZ   PHE  45           HZ       PHE  45  -0.547 -11.651 -11.673
  380    H    ALA  46           H        ALA  46  -0.198  -4.986 -11.895
  381    HA   ALA  46           HA       ALA  46  -0.378  -4.485 -14.114
  382   1HB   ALA  46          1HB       ALA  46  -1.178  -7.190 -13.708
  383   2HB   ALA  46          2HB       ALA  46  -0.372  -6.472 -15.102
  384   3HB   ALA  46          3HB       ALA  46  -2.133  -6.506 -15.023
  385    H    GLY  47           H        GLY  47  -2.451  -3.404 -12.264
  386   1HA   GLY  47          1HA       GLY  47  -3.942  -1.661 -13.115
  387   2HA   GLY  47          2HA       GLY  47  -4.491  -2.819 -14.317
  388    H    LYS  48           H        LYS  48  -4.121  -4.571 -11.594
  389    HA   LYS  48           HA       LYS  48  -6.977  -4.469 -11.023
  390   1HB   LYS  48          1HB       LYS  48  -4.963  -6.503 -11.012
  391   2HB   LYS  48          2HB       LYS  48  -5.672  -6.404  -9.406
  392   1HG   LYS  48          1HG       LYS  48  -7.681  -7.178 -10.092
  393   2HG   LYS  48          2HG       LYS  48  -7.559  -6.409 -11.676
  394   1HD   LYS  48          1HD       LYS  48  -5.554  -8.267 -11.782
  395   2HD   LYS  48          2HD       LYS  48  -6.780  -9.099 -10.822
  396   1HE   LYS  48          1HE       LYS  48  -7.637  -7.687 -13.296
  397   2HE   LYS  48          2HE       LYS  48  -6.769  -9.213 -13.464
  398   1HZ   LYS  48          1HZ       LYS  48  -9.411  -9.025 -13.138
  399   2HZ   LYS  48          2HZ       LYS  48  -8.927  -9.219 -11.529
  400   3HZ   LYS  48          3HZ       LYS  48  -8.503 -10.380 -12.684
  401    H    GLN  49           H        GLN  49  -7.744  -3.301  -9.401
  402    HA   GLN  49           HA       GLN  49  -5.946  -2.269  -7.368
  403   1HB   GLN  49          1HB       GLN  49  -8.024  -1.127  -8.653
  404   2HB   GLN  49          2HB       GLN  49  -8.849  -1.702  -7.209
  405   1HG   GLN  49          1HG       GLN  49  -7.705  -0.292  -5.821
  406   2HG   GLN  49          2HG       GLN  49  -6.306  -0.197  -6.890
  407   1HE2  GLN  49          1HE2      GLN  49  -8.298   1.761  -5.576
  408   2HE2  GLN  49          2HE2      GLN  49  -8.678   2.850  -6.862
  409    H    LEU  50           H        LEU  50  -5.457  -3.897  -5.961
  410    HA   LEU  50           HA       LEU  50  -7.154  -5.887  -5.022
  411   1HB   LEU  50          1HB       LEU  50  -4.867  -4.575  -3.551
  412   2HB   LEU  50          2HB       LEU  50  -5.583  -6.126  -3.152
  413    HG   LEU  50           HG       LEU  50  -3.869  -5.413  -5.512
  414   1HD1  LEU  50          1HD1      LEU  50  -3.049  -6.286  -3.202
  415   2HD1  LEU  50          2HD1      LEU  50  -2.389  -6.973  -4.687
  416   3HD1  LEU  50          3HD1      LEU  50  -3.637  -7.841  -3.792
  417   1HD2  LEU  50          1HD2      LEU  50  -5.992  -7.456  -5.327
  418   2HD2  LEU  50          2HD2      LEU  50  -4.445  -7.989  -5.984
  419   3HD2  LEU  50          3HD2      LEU  50  -5.309  -6.651  -6.739
  420    H    GLU  51           H        GLU  51  -8.974  -5.747  -3.899
  421    HA   GLU  51           HA       GLU  51  -9.351  -3.443  -2.108
  422   1HB   GLU  51          1HB       GLU  51 -11.536  -5.208  -3.200
  423   2HB   GLU  51          2HB       GLU  51 -11.696  -3.623  -2.458
  424   1HG   GLU  51          1HG       GLU  51 -10.273  -2.799  -4.442
  425   2HG   GLU  51          2HG       GLU  51 -10.714  -4.333  -5.190
  426    H    ASP  52           H        ASP  52  -8.920  -3.959  -0.073
  427    HA   ASP  52           HA       ASP  52  -8.541  -6.290   1.166
  428   1HB   ASP  52          1HB       ASP  52 -10.219  -4.764   2.943
  429   2HB   ASP  52          2HB       ASP  52  -8.487  -5.051   3.029
  430    H    GLY  53           H        GLY  53  -9.629  -8.066   1.763
  431   1HA   GLY  53          1HA       GLY  53 -11.725  -9.001   2.662
  432   2HA   GLY  53          2HA       GLY  53 -12.571  -8.008   1.485
  433    H    ARG  54           H        ARG  54 -10.653  -8.563  -0.649
  434    HA   ARG  54           HA       ARG  54 -11.732 -11.150  -1.439
  435   1HB   ARG  54          1HB       ARG  54  -9.979  -9.385  -3.133
  436   2HB   ARG  54          2HB       ARG  54 -11.160 -10.578  -3.655
  437   1HG   ARG  54          1HG       ARG  54 -11.623  -7.827  -2.569
  438   2HG   ARG  54          2HG       ARG  54 -12.180  -8.534  -4.089
  439   1HD   ARG  54          1HD       ARG  54 -13.184 -10.105  -1.939
  440   2HD   ARG  54          2HD       ARG  54 -13.531  -8.410  -1.600
  441    HE   ARG  54           HE       ARG  54 -14.994  -8.378  -3.377
  442   1HH1  ARG  54          1HH1      ARG  54 -14.090 -12.059  -4.666
  443   2HH1  ARG  54          2HH1      ARG  54 -13.118 -11.311  -3.443
  444   1HH2  ARG  54          1HH2      ARG  54 -16.281  -9.353  -4.988
  445   2HH2  ARG  54          2HH2      ARG  54 -15.888 -10.946  -5.545
  446    H    THR  55           H        THR  55 -10.469 -12.895  -2.131
  447    HA   THR  55           HA       THR  55  -7.854 -13.020  -0.854
  448    HB   THR  55           HB       THR  55  -8.013 -15.410  -1.103
  449    HG1  THR  55           HG1      THR  55  -9.259 -16.331  -2.528
  450   1HG2  THR  55          1HG2      THR  55  -9.414 -14.357   0.683
  451   2HG2  THR  55          2HG2      THR  55  -9.949 -15.948   0.144
  452   3HG2  THR  55          3HG2      THR  55 -10.790 -14.500  -0.410
  453    H    LEU  56           H        LEU  56  -5.999 -13.864  -1.931
  454    HA   LEU  56           HA       LEU  56  -5.375 -12.663  -4.336
  455   1HB   LEU  56          1HB       LEU  56  -4.168 -15.209  -3.252
  456   2HB   LEU  56          2HB       LEU  56  -3.428 -14.129  -4.417
  457    HG   LEU  56           HG       LEU  56  -3.892 -13.664  -1.484
  458   1HD1  LEU  56          1HD1      LEU  56  -1.404 -12.910  -1.891
  459   2HD1  LEU  56          2HD1      LEU  56  -1.554 -13.965  -3.296
  460   3HD1  LEU  56          3HD1      LEU  56  -1.822 -14.610  -1.677
  461   1HD2  LEU  56          1HD2      LEU  56  -3.811 -11.702  -3.666
  462   2HD2  LEU  56          2HD2      LEU  56  -2.696 -11.383  -2.337
  463   3HD2  LEU  56          3HD2      LEU  56  -4.422 -11.547  -2.019
  464    H    SER  57           H        SER  57  -6.655 -15.899  -3.747
  465    HA   SER  57           HA       SER  57  -6.448 -16.778  -6.444
  466   1HB   SER  57          1HB       SER  57  -6.905 -18.056  -4.107
  467   2HB   SER  57          2HB       SER  57  -8.553 -17.969  -4.730
  468    HG   SER  57           HG       SER  57  -6.889 -19.772  -5.357
  469    H    ASP  58           H        ASP  58  -8.596 -14.688  -4.827
  470    HA   ASP  58           HA       ASP  58 -10.846 -15.129  -6.579
  471   1HB   ASP  58          1HB       ASP  58 -10.291 -12.980  -4.524
  472   2HB   ASP  58          2HB       ASP  58 -11.802 -13.135  -5.417
  473    H    TYR  59           H        TYR  59  -7.924 -13.506  -6.833
  474    HA   TYR  59           HA       TYR  59  -8.997 -11.587  -8.786
  475   1HB   TYR  59          1HB       TYR  59  -6.500 -11.619  -7.114
  476   2HB   TYR  59          2HB       TYR  59  -6.586 -10.636  -8.572
  477    HD1  TYR  59           HD1      TYR  59  -7.012 -10.571  -5.125
  478    HD2  TYR  59           HD2      TYR  59  -8.860  -9.184  -8.708
  479    HE1  TYR  59           HE1      TYR  59  -8.135  -8.787  -3.849
  480    HE2  TYR  59           HE2      TYR  59  -9.987  -7.396  -7.441
  481    HH   TYR  59           HH       TYR  59 -10.539  -7.342  -4.428
  482    H    ASN  60           H        ASN  60  -5.707 -12.818  -8.600
  483    HA   ASN  60           HA       ASN  60  -5.747 -14.795 -10.510
  484   1HB   ASN  60          1HB       ASN  60  -4.994 -13.606 -12.555
  485   2HB   ASN  60          2HB       ASN  60  -6.641 -13.187 -12.094
  486   1HD2  ASN  60          1HD2      ASN  60  -5.693 -11.469 -13.723
  487   2HD2  ASN  60          2HD2      ASN  60  -5.120 -10.028 -12.962
  488    H    LEU  61           H        LEU  61  -4.330 -14.029  -8.171
  489    HA   LEU  61           HA       LEU  61  -1.667 -13.237  -8.921
  490   1HB   LEU  61          1HB       LEU  61  -2.937 -14.162  -6.361
  491   2HB   LEU  61          2HB       LEU  61  -1.202 -13.953  -6.489
  492    HG   LEU  61           HG       LEU  61  -2.809 -12.028  -5.599
  493   1HD1  LEU  61          1HD1      LEU  61  -0.857 -10.706  -7.206
  494   2HD1  LEU  61          2HD1      LEU  61  -0.173 -12.205  -6.578
  495   3HD1  LEU  61          3HD1      LEU  61  -0.846 -11.011  -5.468
  496   1HD2  LEU  61          1HD2      LEU  61  -2.618 -11.397  -8.536
  497   2HD2  LEU  61          2HD2      LEU  61  -3.400 -10.441  -7.277
  498   3HD2  LEU  61          3HD2      LEU  61  -4.077 -12.000  -7.750
  499    H    GLN  62           H        GLN  62  -0.314 -14.564  -9.919
  500    HA   GLN  62           HA       GLN  62  -0.588 -17.453  -9.556
  501   1HB   GLN  62          1HB       GLN  62   1.354 -16.192 -11.456
  502   2HB   GLN  62          2HB       GLN  62   0.512 -17.731 -11.585
  503   1HG   GLN  62          1HG       GLN  62  -1.544 -16.634 -12.122
  504   2HG   GLN  62          2HG       GLN  62  -0.836 -15.051 -11.803
  505   1HE2  GLN  62          1HE2      GLN  62  -0.268 -17.929 -13.799
  506   2HE2  GLN  62          2HE2      GLN  62   0.202 -17.063 -15.218
  507    H    LYS  63           H        LYS  63   1.667 -18.615  -9.738
  508    HA   LYS  63           HA       LYS  63   3.053 -18.073  -7.343
  509   1HB   LYS  63          1HB       LYS  63   2.967 -20.321  -8.210
  510   2HB   LYS  63          2HB       LYS  63   3.764 -19.827  -9.697
  511   1HG   LYS  63          1HG       LYS  63   5.443 -19.094  -7.538
  512   2HG   LYS  63          2HG       LYS  63   4.923 -20.762  -7.285
  513   1HD   LYS  63          1HD       LYS  63   5.506 -20.714  -9.966
  514   2HD   LYS  63          2HD       LYS  63   6.732 -19.643  -9.286
  515   1HE   LYS  63          1HE       LYS  63   7.318 -21.411  -7.660
  516   2HE   LYS  63          2HE       LYS  63   6.150 -22.479  -8.436
  517   1HZ   LYS  63          1HZ       LYS  63   8.465 -21.255  -9.834
  518   2HZ   LYS  63          2HZ       LYS  63   7.417 -22.437 -10.441
  519   3HZ   LYS  63          3HZ       LYS  63   8.473 -22.815  -9.176
  520    H    GLU  64           H        GLU  64   4.430 -16.476  -6.972
  521    HA   GLU  64           HA       GLU  64   6.109 -14.962  -7.219
  522   1HB   GLU  64          1HB       GLU  64   6.838 -16.752  -9.541
  523   2HB   GLU  64          2HB       GLU  64   7.833 -15.415  -8.981
  524   1HG   GLU  64          1HG       GLU  64   7.808 -16.572  -6.710
  525   2HG   GLU  64          2HG       GLU  64   7.181 -17.976  -7.570
  526    H    SER  65           H        SER  65   4.448 -13.403  -7.701
  527    HA   SER  65           HA       SER  65   4.489 -12.536 -10.518
  528   1HB   SER  65          1HB       SER  65   2.247 -12.697  -8.552
  529   2HB   SER  65          2HB       SER  65   2.231 -11.390  -9.735
  530    HG   SER  65           HG       SER  65   1.643 -13.997 -10.072
  531    H    THR  66           H        THR  66   4.105 -10.179 -10.802
  532    HA   THR  66           HA       THR  66   5.572  -8.691  -8.738
  533    HB   THR  66           HB       THR  66   5.157  -8.183 -11.685
  534    HG1  THR  66           HG1      THR  66   6.843  -9.662 -10.788
  535   1HG2  THR  66          1HG2      THR  66   7.083  -6.413 -10.635
  536   2HG2  THR  66          2HG2      THR  66   5.614  -6.228  -9.676
  537   3HG2  THR  66          3HG2      THR  66   5.555  -6.029 -11.427
  538    H    ILE  67           H        ILE  67   4.694  -6.970  -7.719
  539    HA   ILE  67           HA       ILE  67   2.038  -6.059  -8.602
  540    HB   ILE  67           HB       ILE  67   2.898  -6.670  -5.775
  541   1HG1  ILE  67          1HG1      ILE  67   0.367  -7.701  -6.906
  542   2HG1  ILE  67          2HG1      ILE  67   1.839  -8.359  -7.614
  543   1HG2  ILE  67          1HG2      ILE  67   0.530  -5.932  -5.230
  544   2HG2  ILE  67          2HG2      ILE  67   0.518  -5.162  -6.817
  545   3HG2  ILE  67          3HG2      ILE  67   1.692  -4.658  -5.601
  546   1HD1  ILE  67          1HD1      ILE  67   2.517  -9.323  -5.619
  547   2HD1  ILE  67          2HD1      ILE  67   0.772  -9.581  -5.632
  548   3HD1  ILE  67          3HD1      ILE  67   1.465  -8.291  -4.650
  549    H    HIS  68           H        HIS  68   1.608  -3.896  -8.399
  550    HA   HIS  68           HA       HIS  68   3.921  -2.196  -7.855
  551   1HB   HIS  68          1HB       HIS  68   1.254  -1.578  -9.143
  552   2HB   HIS  68          2HB       HIS  68   2.556  -0.412  -8.926
  553    HD1  HIS  68           HD1      HIS  68   2.791  -0.086 -11.479
  554    HD2  HIS  68           HD2      HIS  68   3.474  -3.976 -10.188
  555    HE1  HIS  68           HE1      HIS  68   3.848  -1.267 -13.432
  556    HE2  HIS  68           HE2      HIS  68   4.327  -3.597 -12.599
  557    H    LEU  69           H        LEU  69   4.075  -1.868  -5.703
  558    HA   LEU  69           HA       LEU  69   1.738  -1.364  -4.084
  559   1HB   LEU  69          1HB       LEU  69   3.624  -2.657  -3.199
  560   2HB   LEU  69          2HB       LEU  69   4.674  -1.266  -3.392
  561    HG   LEU  69           HG       LEU  69   2.246  -1.222  -1.609
  562   1HD1  LEU  69          1HD1      LEU  69   4.588  -2.745  -1.226
  563   2HD1  LEU  69          2HD1      LEU  69   3.291  -2.429  -0.072
  564   3HD1  LEU  69          3HD1      LEU  69   4.690  -1.356  -0.144
  565   1HD2  LEU  69          1HD2      LEU  69   4.540   0.588  -2.165
  566   2HD2  LEU  69          2HD2      LEU  69   3.872   0.544  -0.533
  567   3HD2  LEU  69          3HD2      LEU  69   2.838   0.966  -1.898
  568    H    VAL  70           H        VAL  70   0.812   0.546  -4.622
  569    HA   VAL  70           HA       VAL  70   2.485   2.945  -4.719
  570    HB   VAL  70           HB       VAL  70  -0.461   3.037  -5.191
  571   1HG1  VAL  70          1HG1      VAL  70   1.967   4.537  -6.073
  572   2HG1  VAL  70          2HG1      VAL  70   0.470   5.142  -5.364
  573   3HG1  VAL  70          3HG1      VAL  70   0.495   4.601  -7.042
  574   1HG2  VAL  70          1HG2      VAL  70   1.499   2.111  -7.287
  575   2HG2  VAL  70          2HG2      VAL  70  -0.241   2.323  -7.472
  576   3HG2  VAL  70          3HG2      VAL  70   0.386   1.049  -6.427
  577    H    LEU  71           H        LEU  71   1.802   4.862  -3.568
  578    HA   LEU  71           HA       LEU  71   0.595   4.190  -0.972
  579   1HB   LEU  71          1HB       LEU  71   2.529   6.365  -1.759
  580   2HB   LEU  71          2HB       LEU  71   1.760   6.276  -0.185
  581    HG   LEU  71           HG       LEU  71   3.848   5.321   0.185
  582   1HD1  LEU  71          1HD1      LEU  71   2.194   2.914  -0.542
  583   2HD1  LEU  71          2HD1      LEU  71   1.929   3.881   0.907
  584   3HD1  LEU  71          3HD1      LEU  71   3.456   3.029   0.685
  585   1HD2  LEU  71          1HD2      LEU  71   5.085   4.022  -1.296
  586   2HD2  LEU  71          2HD2      LEU  71   4.284   5.193  -2.344
  587   3HD2  LEU  71          3HD2      LEU  71   3.660   3.548  -2.222
  588    H    ARG  72           H        ARG  72  -1.525   4.440  -2.042
  589    HA   ARG  72           HA       ARG  72  -3.328   5.662  -2.817
  590   1HB   ARG  72          1HB       ARG  72  -2.857   5.975  -0.154
  591   2HB   ARG  72          2HB       ARG  72  -2.919   7.651  -0.681
  592   1HG   ARG  72          1HG       ARG  72  -5.119   7.041  -1.812
  593   2HG   ARG  72          2HG       ARG  72  -5.060   5.560  -0.854
  594   1HD   ARG  72          1HD       ARG  72  -4.696   7.146   1.151
  595   2HD   ARG  72          2HD       ARG  72  -5.303   8.400   0.071
  596    HE   ARG  72           HE       ARG  72  -6.835   6.407   1.398
  597   1HH1  ARG  72          1HH1      ARG  72  -8.339   8.188  -1.856
  598   2HH1  ARG  72          2HH1      ARG  72  -6.638   8.265  -1.540
  599   1HH2  ARG  72          1HH2      ARG  72  -9.077   6.301   0.994
  600   2HH2  ARG  72          2HH2      ARG  72  -9.727   7.073  -0.414
  601    H    LEU  73           H        LEU  73  -2.531   6.504  -4.780
  602    HA   LEU  73           HA       LEU  73  -0.992   8.844  -5.008
  603   1HB   LEU  73          1HB       LEU  73  -2.951   7.627  -6.956
  604   2HB   LEU  73          2HB       LEU  73  -1.813   8.901  -7.351
  605    HG   LEU  73           HG       LEU  73  -1.113   6.087  -6.504
  606   1HD1  LEU  73          1HD1      LEU  73  -2.011   6.382  -8.814
  607   2HD1  LEU  73          2HD1      LEU  73  -0.357   5.773  -8.745
  608   3HD1  LEU  73          3HD1      LEU  73  -0.658   7.465  -9.143
  609   1HD2  LEU  73          1HD2      LEU  73   0.485   8.564  -6.750
  610   2HD2  LEU  73          2HD2      LEU  73   1.188   7.088  -7.412
  611   3HD2  LEU  73          3HD2      LEU  73   0.719   7.156  -5.713
  612    H    ARG  74           H        ARG  74  -1.984  10.758  -6.390
  613    HA   ARG  74           HA       ARG  74  -3.977  11.959  -4.671
  614   1HB   ARG  74          1HB       ARG  74  -3.570  13.945  -6.274
  615   2HB   ARG  74          2HB       ARG  74  -2.273  13.463  -5.190
  616   1HG   ARG  74          1HG       ARG  74  -0.916  12.905  -6.871
  617   2HG   ARG  74          2HG       ARG  74  -2.205  12.109  -7.776
  618   1HD   ARG  74          1HD       ARG  74  -2.096  15.095  -7.576
  619   2HD   ARG  74          2HD       ARG  74  -1.097  14.240  -8.751
  620    HE   ARG  74           HE       ARG  74  -3.553  13.227  -9.210
  621   1HH1  ARG  74          1HH1      ARG  74  -3.515  17.144 -10.036
  622   2HH1  ARG  74          2HH1      ARG  74  -2.345  16.481  -8.945
  623   1HH2  ARG  74          1HH2      ARG  74  -5.100  14.088 -10.651
  624   2HH2  ARG  74          2HH2      ARG  74  -5.082  15.783 -11.006
  625    H    GLY  75           H        GLY  75  -3.728  10.809  -7.987
  626   1HA   GLY  75          1HA       GLY  75  -6.650  10.985  -8.184
  627   2HA   GLY  75          2HA       GLY  75  -5.684  11.739  -9.443
  628    H    GLY  76           H        GLY  76  -7.064  10.176 -10.715
  629   1HA   GLY  76          1HA       GLY  76  -6.134   7.410 -10.598
  630   2HA   GLY  76          2HA       GLY  76  -7.453   8.022 -11.584
  Start of MODEL   19
    1   1H    MET   1          1H        MET   1   4.554 -20.684  -1.940
    2   2H    MET   1          2H        MET   1   2.991 -21.260  -2.356
    3   3H    MET   1          3H        MET   1   3.162 -19.934  -1.280
    4    HA   MET   1           HA       MET   1   4.048 -19.936  -4.085
    5   1HB   MET   1          1HB       MET   1   1.717 -20.118  -4.216
    6   2HB   MET   1          2HB       MET   1   1.466 -19.175  -2.754
    7   1HG   MET   1          1HG       MET   1   1.907 -17.150  -3.852
    8   2HG   MET   1          2HG       MET   1   2.613 -17.966  -5.246
    9   1HE   MET   1          1HE       MET   1  -1.290 -17.926  -3.485
   10   2HE   MET   1          2HE       MET   1  -1.491 -16.545  -4.564
   11   3HE   MET   1          3HE       MET   1  -0.138 -16.592  -3.434
   12    H    GLN   2           H        GLN   2   5.730 -18.578  -4.101
   13    HA   GLN   2           HA       GLN   2   6.001 -16.449  -2.188
   14   1HB   GLN   2          1HB       GLN   2   7.664 -17.707  -4.252
   15   2HB   GLN   2          2HB       GLN   2   7.914 -15.974  -4.098
   16   1HG   GLN   2          1HG       GLN   2   8.217 -16.358  -1.626
   17   2HG   GLN   2          2HG       GLN   2   8.253 -18.083  -1.988
   18   1HE2  GLN   2          1HE2      GLN   2  10.282 -16.092  -0.975
   19   2HE2  GLN   2          2HE2      GLN   2  11.660 -16.339  -1.987
   20    H    LEU   3           H        LEU   3   6.238 -14.200  -2.736
   21    HA   LEU   3           HA       LEU   3   5.015 -13.374  -5.265
   22   1HB   LEU   3          1HB       LEU   3   4.164 -12.237  -2.605
   23   2HB   LEU   3          2HB       LEU   3   3.505 -11.844  -4.182
   24    HG   LEU   3           HG       LEU   3   3.311 -14.604  -2.994
   25   1HD1  LEU   3          1HD1      LEU   3   0.810 -13.327  -2.902
   26   2HD1  LEU   3          2HD1      LEU   3   1.966 -12.223  -2.154
   27   3HD1  LEU   3          3HD1      LEU   3   1.801 -13.871  -1.547
   28   1HD2  LEU   3          1HD2      LEU   3   2.821 -14.858  -5.211
   29   2HD2  LEU   3          2HD2      LEU   3   2.227 -13.206  -5.384
   30   3HD2  LEU   3          3HD2      LEU   3   1.226 -14.426  -4.597
   31    H    PHE   4           H        PHE   4   5.720 -11.412  -6.049
   32    HA   PHE   4           HA       PHE   4   7.920 -10.166  -4.540
   33   1HB   PHE   4          1HB       PHE   4   7.469 -10.546  -7.489
   34   2HB   PHE   4          2HB       PHE   4   8.571  -9.310  -6.893
   35    HD1  PHE   4           HD1      PHE   4   7.872 -12.890  -6.059
   36    HD2  PHE   4           HD2      PHE   4  10.772  -9.920  -7.036
   37    HE1  PHE   4           HE1      PHE   4   9.658 -14.580  -5.880
   38    HE2  PHE   4           HE2      PHE   4  12.562 -11.604  -6.859
   39    HZ   PHE   4           HZ       PHE   4  12.006 -13.937  -6.279
   40    H    VAL   5           H        VAL   5   7.352  -8.308  -3.635
   41    HA   VAL   5           HA       VAL   5   5.313  -6.648  -4.946
   42    HB   VAL   5           HB       VAL   5   6.337  -6.398  -2.118
   43   1HG1  VAL   5          1HG1      VAL   5   3.701  -5.402  -3.102
   44   2HG1  VAL   5          2HG1      VAL   5   5.161  -4.465  -3.418
   45   3HG1  VAL   5          3HG1      VAL   5   4.689  -4.828  -1.759
   46   1HG2  VAL   5          1HG2      VAL   5   4.690  -7.790  -1.346
   47   2HG2  VAL   5          2HG2      VAL   5   5.069  -8.575  -2.879
   48   3HG2  VAL   5          3HG2      VAL   5   3.656  -7.528  -2.750
   49    H    LYS   6           H        LYS   6   5.970  -4.926  -6.033
   50    HA   LYS   6           HA       LYS   6   8.625  -3.814  -5.471
   51   1HB   LYS   6          1HB       LYS   6   8.641  -2.955  -7.679
   52   2HB   LYS   6          2HB       LYS   6   8.004  -4.590  -7.803
   53   1HG   LYS   6          1HG       LYS   6   6.469  -3.566  -9.095
   54   2HG   LYS   6          2HG       LYS   6   5.704  -3.250  -7.537
   55   1HD   LYS   6          1HD       LYS   6   5.789  -1.081  -8.028
   56   2HD   LYS   6          2HD       LYS   6   7.544  -1.181  -7.873
   57   1HE   LYS   6          1HE       LYS   6   7.804  -1.578 -10.206
   58   2HE   LYS   6          2HE       LYS   6   6.069  -1.801 -10.423
   59   1HZ   LYS   6          1HZ       LYS   6   5.685   0.485 -10.038
   60   2HZ   LYS   6          2HZ       LYS   6   6.965   0.404 -11.140
   61   3HZ   LYS   6          3HZ       LYS   6   7.271   0.752  -9.514
   62    H    THR   7           H        THR   7   8.938  -1.629  -5.086
   63    HA   THR   7           HA       THR   7   6.506  -0.144  -4.350
   64    HB   THR   7           HB       THR   7   7.836   1.056  -2.734
   65    HG1  THR   7           HG1      THR   7   9.967  -0.204  -4.048
   66   1HG2  THR   7          1HG2      THR   7   9.023  -1.146  -1.659
   67   2HG2  THR   7          2HG2      THR   7   7.766  -1.857  -2.672
   68   3HG2  THR   7          3HG2      THR   7   7.338  -0.678  -1.431
   69    H    LEU   8           H        LEU   8   6.769   2.282  -4.471
   70    HA   LEU   8           HA       LEU   8   7.231   3.063  -7.112
   71   1HB   LEU   8          1HB       LEU   8   6.724   4.468  -4.548
   72   2HB   LEU   8          2HB       LEU   8   7.372   5.426  -5.865
   73    HG   LEU   8           HG       LEU   8   5.464   4.750  -7.279
   74   1HD1  LEU   8          1HD1      LEU   8   3.532   3.649  -6.198
   75   2HD1  LEU   8          2HD1      LEU   8   4.532   3.354  -4.776
   76   3HD1  LEU   8          3HD1      LEU   8   4.948   2.605  -6.316
   77   1HD2  LEU   8          1HD2      LEU   8   4.747   5.978  -4.622
   78   2HD2  LEU   8          2HD2      LEU   8   3.739   6.035  -6.067
   79   3HD2  LEU   8          3HD2      LEU   8   5.315   6.825  -6.060
   80    H    THR   9           H        THR   9   9.411   2.659  -4.500
   81    HA   THR   9           HA       THR   9  11.468   4.310  -5.760
   82    HB   THR   9           HB       THR   9  12.795   3.554  -3.686
   83    HG1  THR   9           HG1      THR   9  10.211   2.953  -2.712
   84   1HG2  THR   9          1HG2      THR   9  10.440   5.370  -3.655
   85   2HG2  THR   9          2HG2      THR   9  12.157   5.740  -3.501
   86   3HG2  THR   9          3HG2      THR   9  11.286   5.021  -2.147
   87    H    GLY  10           H        GLY  10  10.337   1.256  -6.122
   88   1HA   GLY  10          1HA       GLY  10  11.350  -0.286  -7.617
   89   2HA   GLY  10          2HA       GLY  10  12.924   0.349  -7.164
   90    H    LYS  11           H        LYS  11  12.439   0.232  -4.313
   91    HA   LYS  11           HA       LYS  11  13.550  -2.131  -3.602
   92   1HB   LYS  11          1HB       LYS  11  13.375  -0.561  -1.886
   93   2HB   LYS  11          2HB       LYS  11  11.649  -0.334  -2.137
   94   1HG   LYS  11          1HG       LYS  11  11.934  -1.505  -0.091
   95   2HG   LYS  11          2HG       LYS  11  11.299  -2.652  -1.273
   96   1HD   LYS  11          1HD       LYS  11  13.563  -3.514  -1.645
   97   2HD   LYS  11          2HD       LYS  11  14.191  -2.372  -0.456
   98   1HE   LYS  11          1HE       LYS  11  13.330  -3.529   1.315
   99   2HE   LYS  11          2HE       LYS  11  11.981  -4.171   0.378
  100   1HZ   LYS  11          1HZ       LYS  11  14.146  -5.308  -0.789
  101   2HZ   LYS  11          2HZ       LYS  11  13.150  -6.051   0.357
  102   3HZ   LYS  11          3HZ       LYS  11  14.581  -5.295   0.847
  103    H    THR  12           H        THR  12  12.898  -4.018  -4.490
  104    HA   THR  12           HA       THR  12  10.070  -4.766  -4.286
  105    HB   THR  12           HB       THR  12  12.125  -6.406  -5.724
  106    HG1  THR  12           HG1      THR  12  10.902  -4.041  -6.694
  107   1HG2  THR  12          1HG2      THR  12  10.403  -7.247  -6.953
  108   2HG2  THR  12          2HG2      THR  12   9.416  -5.798  -6.770
  109   3HG2  THR  12          3HG2      THR  12   9.572  -6.934  -5.429
  110    H    LEU  13           H        LEU  13   9.447  -6.040  -2.682
  111    HA   LEU  13           HA       LEU  13  11.462  -7.730  -1.361
  112   1HB   LEU  13          1HB       LEU  13  10.055  -7.643   0.623
  113   2HB   LEU  13          2HB       LEU  13  10.491  -6.030   0.091
  114    HG   LEU  13           HG       LEU  13   8.095  -6.378  -1.170
  115   1HD1  LEU  13          1HD1      LEU  13   7.485  -7.407   1.545
  116   2HD1  LEU  13          2HD1      LEU  13   8.056  -8.555   0.335
  117   3HD1  LEU  13          3HD1      LEU  13   6.602  -7.605   0.032
  118   1HD2  LEU  13          1HD2      LEU  13   7.194  -5.075   0.852
  119   2HD2  LEU  13          2HD2      LEU  13   8.517  -4.369  -0.074
  120   3HD2  LEU  13          3HD2      LEU  13   8.844  -5.166   1.464
  121    H    THR  14           H        THR  14  10.939  -9.864  -0.800
  122    HA   THR  14           HA       THR  14   8.605 -10.966  -2.220
  123    HB   THR  14           HB       THR  14  11.221 -12.392  -1.728
  124    HG1  THR  14           HG1      THR  14  11.591 -11.997  -3.954
  125   1HG2  THR  14          1HG2      THR  14   9.113 -13.748  -2.140
  126   2HG2  THR  14          2HG2      THR  14  10.493 -14.054  -3.195
  127   3HG2  THR  14          3HG2      THR  14   9.142 -13.077  -3.771
  128    H    VAL  15           H        VAL  15   7.454 -12.636  -1.238
  129    HA   VAL  15           HA       VAL  15   8.231 -13.510   1.427
  130    HB   VAL  15           HB       VAL  15   5.985 -12.961   2.364
  131   1HG1  VAL  15          1HG1      VAL  15   7.647 -11.540   3.127
  132   2HG1  VAL  15          2HG1      VAL  15   6.470 -10.415   2.451
  133   3HG1  VAL  15          3HG1      VAL  15   7.918 -10.834   1.534
  134   1HG2  VAL  15          1HG2      VAL  15   5.184 -10.799   0.819
  135   2HG2  VAL  15          2HG2      VAL  15   4.387 -12.369   0.929
  136   3HG2  VAL  15          3HG2      VAL  15   5.558 -12.061  -0.354
  137    H    GLU  16           H        GLU  16   6.389 -15.023   2.298
  138    HA   GLU  16           HA       GLU  16   5.505 -16.708   0.047
  139   1HB   GLU  16          1HB       GLU  16   5.672 -18.169   2.521
  140   2HB   GLU  16          2HB       GLU  16   6.482 -18.479   0.992
  141   1HG   GLU  16          1HG       GLU  16   8.320 -17.104   1.587
  142   2HG   GLU  16          2HG       GLU  16   7.471 -16.475   3.000
  143    H    LEU  17           H        LEU  17   3.390 -16.893  -0.174
  144    HA   LEU  17           HA       LEU  17   1.667 -17.055   2.156
  145   1HB   LEU  17          1HB       LEU  17   1.989 -14.593   1.267
  146   2HB   LEU  17          2HB       LEU  17   0.839 -15.112   0.049
  147    HG   LEU  17           HG       LEU  17  -0.712 -15.762   1.928
  148   1HD1  LEU  17          1HD1      LEU  17   0.326 -15.925   3.916
  149   2HD1  LEU  17          2HD1      LEU  17   0.014 -14.192   4.004
  150   3HD1  LEU  17          3HD1      LEU  17   1.589 -14.778   3.469
  151   1HD2  LEU  17          1HD2      LEU  17  -1.300 -13.370   2.452
  152   2HD2  LEU  17          2HD2      LEU  17  -1.176 -13.769   0.739
  153   3HD2  LEU  17          3HD2      LEU  17   0.134 -12.903   1.540
  154    H    GLU  18           H        GLU  18  -0.549 -17.696   1.584
  155    HA   GLU  18           HA       GLU  18  -0.519 -19.409  -0.791
  156   1HB   GLU  18          1HB       GLU  18  -2.621 -19.489   1.348
  157   2HB   GLU  18          2HB       GLU  18  -2.101 -20.772   0.269
  158   1HG   GLU  18          1HG       GLU  18  -0.678 -21.507   1.776
  159   2HG   GLU  18          2HG       GLU  18   0.101 -19.931   1.863
  160    HA   PRO  19           HA       PRO  19  -3.469 -17.055  -3.041
  161   1HB   PRO  19          1HB       PRO  19  -5.086 -19.011  -4.060
  162   2HB   PRO  19          2HB       PRO  19  -3.477 -18.639  -4.689
  163   1HG   PRO  19          1HG       PRO  19  -4.322 -20.806  -2.804
  164   2HG   PRO  19          2HG       PRO  19  -3.194 -20.888  -4.171
  165   1HD   PRO  19          1HD       PRO  19  -2.332 -20.722  -1.626
  166   2HD   PRO  19          2HD       PRO  19  -1.465 -19.936  -2.962
  167    H    SER  20           H        SER  20  -4.547 -19.248  -0.580
  168    HA   SER  20           HA       SER  20  -7.294 -18.457  -0.604
  169   1HB   SER  20          1HB       SER  20  -7.170 -19.521   1.781
  170   2HB   SER  20          2HB       SER  20  -6.985 -20.554   0.364
  171    HG   SER  20           HG       SER  20  -4.921 -19.496   1.997
  172    H    ASP  21           H        ASP  21  -4.433 -17.034   0.539
  173    HA   ASP  21           HA       ASP  21  -5.410 -15.637   2.792
  174   1HB   ASP  21          1HB       ASP  21  -3.059 -15.305   0.964
  175   2HB   ASP  21          2HB       ASP  21  -3.441 -14.038   2.125
  176    H    THR  22           H        THR  22  -5.734 -13.291   2.933
  177    HA   THR  22           HA       THR  22  -7.155 -12.286   0.560
  178    HB   THR  22           HB       THR  22  -8.678 -11.188   1.951
  179    HG1  THR  22           HG1      THR  22  -7.967 -10.207   3.641
  180   1HG2  THR  22          1HG2      THR  22  -8.557 -13.814   2.233
  181   2HG2  THR  22          2HG2      THR  22  -9.691 -12.820   3.149
  182   3HG2  THR  22          3HG2      THR  22  -8.189 -13.362   3.898
  183    H    VAL  23           H        VAL  23  -7.165  -9.903   0.308
  184    HA   VAL  23           HA       VAL  23  -4.663  -8.839  -0.028
  185    HB   VAL  23           HB       VAL  23  -7.212  -7.318   0.538
  186   1HG1  VAL  23          1HG1      VAL  23  -6.074  -5.473  -0.697
  187   2HG1  VAL  23          2HG1      VAL  23  -4.579  -6.403  -0.605
  188   3HG1  VAL  23          3HG1      VAL  23  -5.360  -5.841   0.873
  189   1HG2  VAL  23          1HG2      VAL  23  -7.171  -8.933  -1.411
  190   2HG2  VAL  23          2HG2      VAL  23  -5.946  -7.889  -2.131
  191   3HG2  VAL  23          3HG2      VAL  23  -7.559  -7.257  -1.800
  192    H    GLU  24           H        GLU  24  -6.834  -8.315   2.743
  193    HA   GLU  24           HA       GLU  24  -5.297  -6.556   4.208
  194   1HB   GLU  24          1HB       GLU  24  -7.631  -7.933   4.642
  195   2HB   GLU  24          2HB       GLU  24  -6.559  -8.643   5.842
  196   1HG   GLU  24          1HG       GLU  24  -6.064  -5.977   6.144
  197   2HG   GLU  24          2HG       GLU  24  -7.780  -5.995   5.742
  198    H    ASN  25           H        ASN  25  -5.104 -10.092   4.112
  199    HA   ASN  25           HA       ASN  25  -3.178 -10.445   6.104
  200   1HB   ASN  25          1HB       ASN  25  -3.728 -12.060   3.607
  201   2HB   ASN  25          2HB       ASN  25  -2.641 -12.582   4.891
  202   1HD2  ASN  25          1HD2      ASN  25  -3.571 -12.783   7.051
  203   2HD2  ASN  25          2HD2      ASN  25  -5.214 -13.297   7.202
  204    H    LEU  26           H        LEU  26  -2.693 -10.274   2.573
  205    HA   LEU  26           HA       LEU  26   0.056 -10.361   2.503
  206   1HB   LEU  26          1HB       LEU  26  -1.278 -10.409   0.486
  207   2HB   LEU  26          2HB       LEU  26  -1.828  -8.767   0.766
  208    HG   LEU  26           HG       LEU  26   0.492  -7.960   0.448
  209   1HD1  LEU  26          1HD1      LEU  26   2.059  -9.603  -0.678
  210   2HD1  LEU  26          2HD1      LEU  26   0.999 -10.875  -0.071
  211   3HD1  LEU  26          3HD1      LEU  26   1.824  -9.801   1.059
  212   1HD2  LEU  26          1HD2      LEU  26  -1.180  -8.094  -1.407
  213   2HD2  LEU  26          2HD2      LEU  26  -0.452  -9.631  -1.876
  214   3HD2  LEU  26          3HD2      LEU  26   0.504  -8.149  -1.931
  215    H    LYS  27           H        LYS  27  -1.948  -7.413   2.629
  216    HA   LYS  27           HA       LYS  27   0.107  -5.561   2.854
  217   1HB   LYS  27          1HB       LYS  27  -2.703  -5.517   3.955
  218   2HB   LYS  27          2HB       LYS  27  -1.621  -4.135   4.040
  219   1HG   LYS  27          1HG       LYS  27  -1.518  -3.998   1.645
  220   2HG   LYS  27          2HG       LYS  27  -2.450  -5.488   1.483
  221   1HD   LYS  27          1HD       LYS  27  -4.423  -4.481   2.178
  222   2HD   LYS  27          2HD       LYS  27  -3.577  -3.156   2.982
  223   1HE   LYS  27          1HE       LYS  27  -4.747  -2.556   0.835
  224   2HE   LYS  27          2HE       LYS  27  -3.040  -2.127   0.918
  225   1HZ   LYS  27          1HZ       LYS  27  -3.136  -4.676  -0.135
  226   2HZ   LYS  27          2HZ       LYS  27  -2.770  -3.244  -0.959
  227   3HZ   LYS  27          3HZ       LYS  27  -4.360  -3.818  -0.928
  228    H    ALA  28           H        ALA  28  -1.671  -7.239   5.437
  229    HA   ALA  28           HA       ALA  28  -0.609  -6.122   7.678
  230   1HB   ALA  28          1HB       ALA  28  -1.903  -7.737   8.500
  231   2HB   ALA  28          2HB       ALA  28  -0.556  -8.848   8.254
  232   3HB   ALA  28          3HB       ALA  28  -1.790  -8.670   7.008
  233    H    LYS  29           H        LYS  29   0.877  -8.696   5.731
  234    HA   LYS  29           HA       LYS  29   3.202  -8.984   7.288
  235   1HB   LYS  29          1HB       LYS  29   2.891  -9.459   4.318
  236   2HB   LYS  29          2HB       LYS  29   4.150 -10.123   5.351
  237   1HG   LYS  29          1HG       LYS  29   1.420 -10.713   6.235
  238   2HG   LYS  29          2HG       LYS  29   1.858 -11.405   4.671
  239   1HD   LYS  29          1HD       LYS  29   4.063 -12.038   6.030
  240   2HD   LYS  29          2HD       LYS  29   2.922 -11.987   7.376
  241   1HE   LYS  29          1HE       LYS  29   1.978 -13.913   6.768
  242   2HE   LYS  29          2HE       LYS  29   1.840 -13.399   5.088
  243   1HZ   LYS  29          1HZ       LYS  29   3.948 -14.940   6.392
  244   2HZ   LYS  29          2HZ       LYS  29   4.420 -13.874   5.166
  245   3HZ   LYS  29          3HZ       LYS  29   3.298 -15.096   4.838
  246    H    ILE  30           H        ILE  30   2.476  -6.953   4.481
  247    HA   ILE  30           HA       ILE  30   5.049  -5.882   4.126
  248    HB   ILE  30           HB       ILE  30   2.419  -4.522   3.533
  249   1HG1  ILE  30          1HG1      ILE  30   4.108  -6.257   1.719
  250   2HG1  ILE  30          2HG1      ILE  30   2.646  -6.804   2.535
  251   1HG2  ILE  30          1HG2      ILE  30   5.079  -4.125   2.182
  252   2HG2  ILE  30          2HG2      ILE  30   4.508  -3.119   3.514
  253   3HG2  ILE  30          3HG2      ILE  30   3.611  -3.165   1.996
  254   1HD1  ILE  30          1HD1      ILE  30   2.516  -6.031   0.080
  255   2HD1  ILE  30          2HD1      ILE  30   2.566  -4.406   0.762
  256   3HD1  ILE  30          3HD1      ILE  30   1.268  -5.513   1.212
  257    H    GLN  31           H        GLN  31   2.687  -5.329   6.541
  258    HA   GLN  31           HA       GLN  31   3.647  -2.706   7.282
  259   1HB   GLN  31          1HB       GLN  31   1.296  -3.250   7.624
  260   2HB   GLN  31          2HB       GLN  31   1.735  -4.596   8.666
  261   1HG   GLN  31          1HG       GLN  31   2.721  -3.019  10.265
  262   2HG   GLN  31          2HG       GLN  31   2.230  -1.681   9.228
  263   1HE2  GLN  31          1HE2      GLN  31   0.379  -0.752   9.704
  264   2HE2  GLN  31          2HE2      GLN  31  -0.917  -1.461  10.600
  265    H    ASP  32           H        ASP  32   4.180  -6.023   8.200
  266    HA   ASP  32           HA       ASP  32   5.730  -5.276  10.542
  267   1HB   ASP  32          1HB       ASP  32   4.301  -7.581   9.726
  268   2HB   ASP  32          2HB       ASP  32   5.985  -8.040   9.938
  269    H    LYS  33           H        LYS  33   6.302  -5.417   7.298
  270    HA   LYS  33           HA       LYS  33   9.126  -6.161   7.688
  271   1HB   LYS  33          1HB       LYS  33   7.375  -6.377   5.240
  272   2HB   LYS  33          2HB       LYS  33   9.122  -6.574   5.197
  273   1HG   LYS  33          1HG       LYS  33   8.682  -8.357   7.047
  274   2HG   LYS  33          2HG       LYS  33   7.045  -8.346   6.389
  275   1HD   LYS  33          1HD       LYS  33   7.728  -9.720   4.781
  276   2HD   LYS  33          2HD       LYS  33   8.788  -8.441   4.183
  277   1HE   LYS  33          1HE       LYS  33  10.380 -10.003   4.561
  278   2HE   LYS  33          2HE       LYS  33  10.299  -9.343   6.195
  279   1HZ   LYS  33          1HZ       LYS  33   8.716 -11.684   5.293
  280   2HZ   LYS  33          2HZ       LYS  33   8.900 -11.119   6.876
  281   3HZ   LYS  33          3HZ       LYS  33  10.215 -11.809   6.067
  282    H    GLU  34           H        GLU  34   7.116  -4.142   5.535
  283    HA   GLU  34           HA       GLU  34   9.322  -2.219   5.381
  284   1HB   GLU  34          1HB       GLU  34   6.944  -2.805   3.659
  285   2HB   GLU  34          2HB       GLU  34   7.698  -1.220   3.581
  286   1HG   GLU  34          1HG       GLU  34   9.109  -3.838   3.114
  287   2HG   GLU  34          2HG       GLU  34   8.524  -2.752   1.853
  288    H    GLY  35           H        GLY  35   7.065  -2.671   7.507
  289   1HA   GLY  35          1HA       GLY  35   5.790  -1.365   8.898
  290   2HA   GLY  35          2HA       GLY  35   6.985  -0.127   8.552
  291    H    ILE  36           H        ILE  36   4.737  -1.590   6.253
  292    HA   ILE  36           HA       ILE  36   3.596   1.085   5.814
  293    HB   ILE  36           HB       ILE  36   3.313  -1.234   3.923
  294   1HG1  ILE  36          1HG1      ILE  36   5.593   0.719   4.203
  295   2HG1  ILE  36          2HG1      ILE  36   5.668  -1.039   4.115
  296   1HG2  ILE  36          1HG2      ILE  36   3.356   1.711   3.325
  297   2HG2  ILE  36          2HG2      ILE  36   1.880   0.857   3.778
  298   3HG2  ILE  36          3HG2      ILE  36   2.753   0.394   2.317
  299   1HD1  ILE  36          1HD1      ILE  36   4.801   0.733   1.847
  300   2HD1  ILE  36          2HD1      ILE  36   5.095  -1.006   1.795
  301   3HD1  ILE  36          3HD1      ILE  36   6.435   0.109   2.065
  302    HA   PRO  37           HA       PRO  37  -0.156  -0.619   7.533
  303   1HB   PRO  37          1HB       PRO  37  -1.578   1.650   7.559
  304   2HB   PRO  37          2HB       PRO  37  -0.224   1.399   8.668
  305   1HG   PRO  37          1HG       PRO  37  -0.328   2.969   6.121
  306   2HG   PRO  37          2HG       PRO  37   0.456   3.378   7.657
  307   1HD   PRO  37          1HD       PRO  37   1.765   2.332   5.469
  308   2HD   PRO  37          2HD       PRO  37   2.340   2.192   7.141
  309    HA   PRO  38           HA       PRO  38  -2.629  -1.633   4.012
  310   1HB   PRO  38          1HB       PRO  38  -4.946  -1.543   5.854
  311   2HB   PRO  38          2HB       PRO  38  -4.348  -2.877   4.865
  312   1HG   PRO  38          1HG       PRO  38  -4.013  -2.864   7.517
  313   2HG   PRO  38          2HG       PRO  38  -2.763  -3.503   6.432
  314   1HD   PRO  38          1HD       PRO  38  -2.875  -0.876   7.862
  315   2HD   PRO  38          2HD       PRO  38  -1.487  -1.948   7.578
  316    H    ASP  39           H        ASP  39  -3.642   0.957   6.168
  317    HA   ASP  39           HA       ASP  39  -5.616   2.069   4.468
  318   1HB   ASP  39          1HB       ASP  39  -5.714   3.862   5.984
  319   2HB   ASP  39          2HB       ASP  39  -5.244   2.486   6.978
  320    H    GLN  40           H        GLN  40  -2.161   2.304   4.573
  321    HA   GLN  40           HA       GLN  40  -2.226   4.451   2.561
  322   1HB   GLN  40          1HB       GLN  40   0.021   3.540   4.366
  323   2HB   GLN  40          2HB       GLN  40   0.173   4.784   3.133
  324   1HG   GLN  40          1HG       GLN  40  -2.031   5.509   4.711
  325   2HG   GLN  40          2HG       GLN  40  -0.763   5.001   5.826
  326   1HE2  GLN  40          1HE2      GLN  40   0.910   6.323   6.197
  327   2HE2  GLN  40          2HE2      GLN  40   1.170   7.834   5.400
  328    H    GLN  41           H        GLN  41  -2.291   1.263   2.557
  329    HA   GLN  41           HA       GLN  41  -0.176   0.872   0.566
  330   1HB   GLN  41          1HB       GLN  41  -1.637  -0.893   2.439
  331   2HB   GLN  41          2HB       GLN  41  -1.237  -1.591   0.876
  332   1HG   GLN  41          1HG       GLN  41   1.135  -0.867   1.282
  333   2HG   GLN  41          2HG       GLN  41   0.647  -0.474   2.931
  334   1HE2  GLN  41          1HE2      GLN  41   0.388  -2.076   4.395
  335   2HE2  GLN  41          2HE2      GLN  41   0.696  -3.744   4.068
  336    H    ARG  42           H        ARG  42  -0.614   0.752  -1.529
  337    HA   ARG  42           HA       ARG  42  -3.355   0.112  -2.381
  338   1HB   ARG  42          1HB       ARG  42  -1.651   2.450  -3.188
  339   2HB   ARG  42          2HB       ARG  42  -2.859   1.808  -4.293
  340   1HG   ARG  42          1HG       ARG  42  -4.540   2.119  -2.429
  341   2HG   ARG  42          2HG       ARG  42  -3.290   3.039  -1.589
  342   1HD   ARG  42          1HD       ARG  42  -4.679   4.587  -2.764
  343   2HD   ARG  42          2HD       ARG  42  -3.124   4.511  -3.591
  344    HE   ARG  42           HE       ARG  42  -4.191   3.683  -5.436
  345   1HH1  ARG  42          1HH1      ARG  42  -7.658   2.863  -3.609
  346   2HH1  ARG  42          2HH1      ARG  42  -6.291   3.375  -2.677
  347   1HH2  ARG  42          1HH2      ARG  42  -5.983   3.010  -6.677
  348   2HH2  ARG  42          2HH2      ARG  42  -7.482   2.655  -5.885
  349    H    LEU  43           H        LEU  43  -2.791  -1.964  -2.994
  350    HA   LEU  43           HA       LEU  43  -0.568  -2.353  -4.827
  351   1HB   LEU  43          1HB       LEU  43  -2.534  -4.329  -3.669
  352   2HB   LEU  43          2HB       LEU  43  -1.136  -4.744  -4.644
  353    HG   LEU  43           HG       LEU  43  -0.692  -3.175  -2.150
  354   1HD1  LEU  43          1HD1      LEU  43  -1.254  -4.782  -0.711
  355   2HD1  LEU  43          2HD1      LEU  43  -0.570  -6.049  -1.729
  356   3HD1  LEU  43          3HD1      LEU  43  -2.208  -5.465  -2.027
  357   1HD2  LEU  43          1HD2      LEU  43   1.250  -3.539  -3.408
  358   2HD2  LEU  43          2HD2      LEU  43   0.808  -5.208  -3.771
  359   3HD2  LEU  43          3HD2      LEU  43   1.309  -4.762  -2.139
  360    H    ILE  44           H        ILE  44  -0.725  -2.691  -6.962
  361    HA   ILE  44           HA       ILE  44  -3.410  -2.996  -8.133
  362    HB   ILE  44           HB       ILE  44  -1.291  -1.442  -9.567
  363   1HG1  ILE  44          1HG1      ILE  44  -3.129  -0.420  -7.402
  364   2HG1  ILE  44          2HG1      ILE  44  -1.378  -0.255  -7.503
  365   1HG2  ILE  44          1HG2      ILE  44  -3.498  -2.293 -10.569
  366   2HG2  ILE  44          2HG2      ILE  44  -3.052  -0.609 -10.843
  367   3HG2  ILE  44          3HG2      ILE  44  -4.256  -1.014  -9.619
  368   1HD1  ILE  44          1HD1      ILE  44  -1.722   1.166  -9.530
  369   2HD1  ILE  44          2HD1      ILE  44  -2.327   1.849  -8.021
  370   3HD1  ILE  44          3HD1      ILE  44  -3.449   1.131  -9.176
  371    H    PHE  45           H        PHE  45  -3.442  -4.981  -8.977
  372    HA   PHE  45           HA       PHE  45  -1.056  -5.922 -10.427
  373   1HB   PHE  45          1HB       PHE  45  -1.951  -7.194  -8.347
  374   2HB   PHE  45          2HB       PHE  45  -3.225  -7.747  -9.430
  375    HD1  PHE  45           HD1      PHE  45   0.429  -7.236  -9.974
  376    HD2  PHE  45           HD2      PHE  45  -2.843  -9.969  -9.897
  377    HE1  PHE  45           HE1      PHE  45   1.910  -9.026 -10.799
  378    HE2  PHE  45           HE2      PHE  45  -1.368 -11.764 -10.721
  379    HZ   PHE  45           HZ       PHE  45   1.012 -11.293 -11.173
  380    H    ALA  46           H        ALA  46  -1.218  -6.250 -12.545
  381    HA   ALA  46           HA       ALA  46  -2.086  -6.281 -14.653
  382   1HB   ALA  46          1HB       ALA  46  -3.126  -8.408 -13.266
  383   2HB   ALA  46          2HB       ALA  46  -3.233  -8.164 -15.009
  384   3HB   ALA  46          3HB       ALA  46  -4.561  -7.658 -13.966
  385    H    GLY  47           H        GLY  47  -2.844  -4.044 -12.907
  386   1HA   GLY  47          1HA       GLY  47  -4.067  -2.116 -13.291
  387   2HA   GLY  47          2HA       GLY  47  -4.900  -2.946 -14.595
  388    H    LYS  48           H        LYS  48  -4.815  -4.479 -11.512
  389    HA   LYS  48           HA       LYS  48  -7.605  -3.656 -11.037
  390   1HB   LYS  48          1HB       LYS  48  -6.780  -6.186 -11.677
  391   2HB   LYS  48          2HB       LYS  48  -6.782  -6.247  -9.920
  392   1HG   LYS  48          1HG       LYS  48  -8.944  -6.731 -10.095
  393   2HG   LYS  48          2HG       LYS  48  -9.175  -5.026 -10.487
  394   1HD   LYS  48          1HD       LYS  48  -9.971  -5.643 -12.470
  395   2HD   LYS  48          2HD       LYS  48  -8.373  -6.275 -12.873
  396   1HE   LYS  48          1HE       LYS  48  -9.142  -8.369 -11.560
  397   2HE   LYS  48          2HE       LYS  48 -10.763  -7.720 -11.793
  398   1HZ   LYS  48          1HZ       LYS  48 -10.495  -7.819 -14.140
  399   2HZ   LYS  48          2HZ       LYS  48 -10.037  -9.325 -13.523
  400   3HZ   LYS  48          3HZ       LYS  48  -8.855  -8.218 -14.011
  401    H    GLN  49           H        GLN  49  -7.635  -2.333  -9.343
  402    HA   GLN  49           HA       GLN  49  -5.625  -2.301  -7.330
  403   1HB   GLN  49          1HB       GLN  49  -7.696  -0.603  -8.166
  404   2HB   GLN  49          2HB       GLN  49  -8.081  -1.020  -6.502
  405   1HG   GLN  49          1HG       GLN  49  -5.283  -0.270  -7.014
  406   2HG   GLN  49          2HG       GLN  49  -6.475   1.012  -7.217
  407   1HE2  GLN  49          1HE2      GLN  49  -8.253   0.708  -5.331
  408   2HE2  GLN  49          2HE2      GLN  49  -7.553   0.732  -3.752
  409    H    LEU  50           H        LEU  50  -5.429  -4.038  -6.042
  410    HA   LEU  50           HA       LEU  50  -7.387  -5.828  -5.275
  411   1HB   LEU  50          1HB       LEU  50  -5.128  -5.058  -3.450
  412   2HB   LEU  50          2HB       LEU  50  -5.884  -6.629  -3.642
  413    HG   LEU  50           HG       LEU  50  -3.986  -5.261  -5.540
  414   1HD1  LEU  50          1HD1      LEU  50  -3.009  -7.715  -5.175
  415   2HD1  LEU  50          2HD1      LEU  50  -3.855  -7.525  -3.639
  416   3HD1  LEU  50          3HD1      LEU  50  -2.615  -6.363  -4.112
  417   1HD2  LEU  50          1HD2      LEU  50  -4.857  -7.953  -6.243
  418   2HD2  LEU  50          2HD2      LEU  50  -4.652  -6.526  -7.257
  419   3HD2  LEU  50          3HD2      LEU  50  -6.144  -6.751  -6.344
  420    H    GLU  51           H        GLU  51  -9.131  -5.672  -4.039
  421    HA   GLU  51           HA       GLU  51  -9.411  -3.355  -2.272
  422   1HB   GLU  51          1HB       GLU  51 -11.378  -5.265  -3.508
  423   2HB   GLU  51          2HB       GLU  51 -11.840  -4.214  -2.177
  424   1HG   GLU  51          1HG       GLU  51 -10.955  -3.442  -4.936
  425   2HG   GLU  51          2HG       GLU  51 -12.494  -3.109  -4.144
  426    H    ASP  52           H        ASP  52  -9.002  -3.597  -0.182
  427    HA   ASP  52           HA       ASP  52  -8.328  -5.923   1.114
  428   1HB   ASP  52          1HB       ASP  52  -8.714  -3.226   1.839
  429   2HB   ASP  52          2HB       ASP  52  -9.667  -4.178   2.973
  430    H    GLY  53           H        GLY  53  -9.620  -7.685   0.847
  431   1HA   GLY  53          1HA       GLY  53 -11.545  -8.445   2.518
  432   2HA   GLY  53          2HA       GLY  53 -12.478  -7.480   1.382
  433    H    ARG  54           H        ARG  54 -10.415  -8.431  -0.713
  434    HA   ARG  54           HA       ARG  54 -11.867 -10.894  -1.355
  435   1HB   ARG  54          1HB       ARG  54 -10.002  -9.567  -3.275
  436   2HB   ARG  54          2HB       ARG  54 -11.483 -10.459  -3.594
  437   1HG   ARG  54          1HG       ARG  54 -11.646  -7.864  -2.141
  438   2HG   ARG  54          2HG       ARG  54 -11.388  -7.864  -3.887
  439   1HD   ARG  54          1HD       ARG  54 -13.502  -8.451  -4.305
  440   2HD   ARG  54          2HD       ARG  54 -13.486  -9.700  -3.061
  441    HE   ARG  54           HE       ARG  54 -14.543  -8.243  -1.659
  442   1HH1  ARG  54          1HH1      ARG  54 -13.759  -4.926  -3.757
  443   2HH1  ARG  54          2HH1      ARG  54 -13.061  -6.437  -4.239
  444   1HH2  ARG  54          1HH2      ARG  54 -15.467  -6.259  -1.013
  445   2HH2  ARG  54          2HH2      ARG  54 -15.125  -4.825  -1.922
  446    H    THR  55           H        THR  55 -10.658 -12.675  -2.352
  447    HA   THR  55           HA       THR  55  -8.193 -13.153  -0.882
  448    HB   THR  55           HB       THR  55  -8.490 -15.479  -2.005
  449    HG1  THR  55           HG1      THR  55 -10.333 -15.851  -2.990
  450   1HG2  THR  55          1HG2      THR  55 -10.488 -14.465   0.000
  451   2HG2  THR  55          2HG2      THR  55  -8.927 -15.214   0.337
  452   3HG2  THR  55          3HG2      THR  55 -10.222 -16.163  -0.391
  453    H    LEU  56           H        LEU  56  -6.326 -14.126  -1.957
  454    HA   LEU  56           HA       LEU  56  -5.405 -12.590  -4.103
  455   1HB   LEU  56          1HB       LEU  56  -4.420 -15.272  -3.126
  456   2HB   LEU  56          2HB       LEU  56  -3.542 -14.219  -4.219
  457    HG   LEU  56           HG       LEU  56  -3.969 -13.975  -1.287
  458   1HD1  LEU  56          1HD1      LEU  56  -1.842 -14.732  -1.907
  459   2HD1  LEU  56          2HD1      LEU  56  -1.621 -13.018  -1.555
  460   3HD1  LEU  56          3HD1      LEU  56  -1.716 -13.570  -3.227
  461   1HD2  LEU  56          1HD2      LEU  56  -4.913 -11.920  -1.740
  462   2HD2  LEU  56          2HD2      LEU  56  -3.971 -11.692  -3.213
  463   3HD2  LEU  56          3HD2      LEU  56  -3.200 -11.513  -1.637
  464    H    SER  57           H        SER  57  -6.826 -15.822  -4.018
  465    HA   SER  57           HA       SER  57  -6.365 -16.553  -6.675
  466   1HB   SER  57          1HB       SER  57  -7.367 -18.420  -5.954
  467   2HB   SER  57          2HB       SER  57  -7.803 -17.592  -4.460
  468    HG   SER  57           HG       SER  57  -9.720 -16.918  -5.447
  469    H    ASP  58           H        ASP  58  -8.647 -14.346  -5.290
  470    HA   ASP  58           HA       ASP  58 -10.517 -14.293  -7.413
  471   1HB   ASP  58          1HB       ASP  58  -9.828 -12.286  -5.266
  472   2HB   ASP  58          2HB       ASP  58 -11.124 -12.033  -6.431
  473    H    TYR  59           H        TYR  59  -7.321 -13.324  -7.315
  474    HA   TYR  59           HA       TYR  59  -7.742 -11.415  -9.521
  475   1HB   TYR  59          1HB       TYR  59  -5.488 -11.522  -7.508
  476   2HB   TYR  59          2HB       TYR  59  -5.544 -10.433  -8.889
  477    HD1  TYR  59           HD1      TYR  59  -7.536  -8.806  -9.024
  478    HD2  TYR  59           HD2      TYR  59  -6.455 -10.900  -5.473
  479    HE1  TYR  59           HE1      TYR  59  -8.787  -7.161  -7.681
  480    HE2  TYR  59           HE2      TYR  59  -7.702  -9.262  -4.119
  481    HH   TYR  59           HH       TYR  59  -9.350  -7.619  -4.271
  482    H    ASN  60           H        ASN  60  -7.485 -14.363  -9.608
  483    HA   ASN  60           HA       ASN  60  -6.261 -16.021 -10.628
  484   1HB   ASN  60          1HB       ASN  60  -5.570 -15.312 -12.980
  485   2HB   ASN  60          2HB       ASN  60  -7.268 -15.106 -12.563
  486   1HD2  ASN  60          1HD2      ASN  60  -8.150 -13.195 -12.913
  487   2HD2  ASN  60          2HD2      ASN  60  -7.291 -11.725 -13.210
  488    H    LEU  61           H        LEU  61  -4.696 -14.756  -8.695
  489    HA   LEU  61           HA       LEU  61  -2.180 -13.909  -9.676
  490   1HB   LEU  61          1HB       LEU  61  -3.264 -14.756  -7.037
  491   2HB   LEU  61          2HB       LEU  61  -1.522 -14.731  -7.235
  492    HG   LEU  61           HG       LEU  61  -3.148 -12.318  -7.957
  493   1HD1  LEU  61          1HD1      LEU  61  -2.113 -12.924  -5.194
  494   2HD1  LEU  61          2HD1      LEU  61  -3.807 -13.022  -5.672
  495   3HD1  LEU  61          3HD1      LEU  61  -2.966 -11.472  -5.718
  496   1HD2  LEU  61          1HD2      LEU  61  -1.096 -11.151  -7.450
  497   2HD2  LEU  61          2HD2      LEU  61  -0.769 -12.455  -8.592
  498   3HD2  LEU  61          3HD2      LEU  61  -0.349 -12.647  -6.889
  499    H    GLN  62           H        GLN  62  -0.119 -15.064  -9.320
  500    HA   GLN  62           HA       GLN  62  -0.281 -17.972  -9.327
  501   1HB   GLN  62          1HB       GLN  62   0.574 -16.311 -11.667
  502   2HB   GLN  62          2HB       GLN  62   1.341 -17.868 -11.387
  503   1HG   GLN  62          1HG       GLN  62  -1.638 -17.584 -11.522
  504   2HG   GLN  62          2HG       GLN  62  -0.653 -17.783 -12.971
  505   1HE2  GLN  62          1HE2      GLN  62  -2.259 -19.341 -10.467
  506   2HE2  GLN  62          2HE2      GLN  62  -1.647 -20.936 -10.724
  507    H    LYS  63           H        LYS  63   1.936 -18.961  -9.344
  508    HA   LYS  63           HA       LYS  63   3.471 -18.178  -7.249
  509   1HB   LYS  63          1HB       LYS  63   4.006 -20.279  -8.058
  510   2HB   LYS  63          2HB       LYS  63   4.096 -19.730  -9.726
  511   1HG   LYS  63          1HG       LYS  63   6.296 -20.257  -9.078
  512   2HG   LYS  63          2HG       LYS  63   6.198 -18.496  -9.085
  513   1HD   LYS  63          1HD       LYS  63   6.318 -18.342  -6.799
  514   2HD   LYS  63          2HD       LYS  63   5.624 -19.945  -6.548
  515   1HE   LYS  63          1HE       LYS  63   7.636 -20.910  -6.510
  516   2HE   LYS  63          2HE       LYS  63   8.152 -20.057  -7.965
  517   1HZ   LYS  63          1HZ       LYS  63   8.692 -19.463  -5.204
  518   2HZ   LYS  63          2HZ       LYS  63   8.170 -18.115  -6.084
  519   3HZ   LYS  63          3HZ       LYS  63   9.527 -18.986  -6.597
  520    H    GLU  64           H        GLU  64   5.196 -16.849  -6.858
  521    HA   GLU  64           HA       GLU  64   6.294 -14.842  -7.043
  522   1HB   GLU  64          1HB       GLU  64   7.943 -16.301  -7.982
  523   2HB   GLU  64          2HB       GLU  64   7.121 -16.328  -9.537
  524   1HG   GLU  64          1HG       GLU  64   7.798 -13.634  -8.752
  525   2HG   GLU  64          2HG       GLU  64   9.218 -14.680  -8.775
  526    H    SER  65           H        SER  65   4.511 -13.436  -7.234
  527    HA   SER  65           HA       SER  65   3.828 -12.600  -9.967
  528   1HB   SER  65          1HB       SER  65   2.375 -12.432  -7.344
  529   2HB   SER  65          2HB       SER  65   1.956 -11.336  -8.661
  530    HG   SER  65           HG       SER  65   1.700 -14.129  -8.512
  531    H    THR  66           H        THR  66   3.632 -10.316 -10.416
  532    HA   THR  66           HA       THR  66   5.447  -8.690  -8.759
  533    HB   THR  66           HB       THR  66   4.964  -8.515 -11.740
  534    HG1  THR  66           HG1      THR  66   7.185  -9.191 -11.793
  535   1HG2  THR  66          1HG2      THR  66   7.326  -7.195 -10.722
  536   2HG2  THR  66          2HG2      THR  66   5.841  -6.491 -10.085
  537   3HG2  THR  66          3HG2      THR  66   6.086  -6.607 -11.828
  538    H    ILE  67           H        ILE  67   3.942  -7.682  -7.481
  539    HA   ILE  67           HA       ILE  67   1.735  -6.264  -8.783
  540    HB   ILE  67           HB       ILE  67   2.206  -6.399  -5.816
  541   1HG1  ILE  67          1HG1      ILE  67   0.242  -8.292  -6.840
  542   2HG1  ILE  67          2HG1      ILE  67   1.866  -8.642  -7.425
  543   1HG2  ILE  67          1HG2      ILE  67  -0.516  -6.497  -6.486
  544   2HG2  ILE  67          2HG2      ILE  67   0.208  -5.282  -7.541
  545   3HG2  ILE  67          3HG2      ILE  67   0.376  -5.143  -5.792
  546   1HD1  ILE  67          1HD1      ILE  67   2.674  -9.076  -5.317
  547   2HD1  ILE  67          2HD1      ILE  67   1.028  -9.701  -5.217
  548   3HD1  ILE  67          3HD1      ILE  67   1.417  -8.126  -4.524
  549    H    HIS  68           H        HIS  68   1.446  -4.052  -8.619
  550    HA   HIS  68           HA       HIS  68   3.874  -2.541  -8.018
  551   1HB   HIS  68          1HB       HIS  68   1.330  -1.672  -9.407
  552   2HB   HIS  68          2HB       HIS  68   2.789  -0.701  -9.237
  553    HD1  HIS  68           HD1      HIS  68   3.294  -0.528 -11.722
  554    HD2  HIS  68           HD2      HIS  68   2.955  -4.447 -10.384
  555    HE1  HIS  68           HE1      HIS  68   4.111  -1.961 -13.621
  556    HE2  HIS  68           HE2      HIS  68   3.970  -4.323 -12.760
  557    H    LEU  69           H        LEU  69   3.988  -2.073  -5.897
  558    HA   LEU  69           HA       LEU  69   1.647  -1.413  -4.356
  559   1HB   LEU  69          1HB       LEU  69   3.420  -2.637  -3.280
  560   2HB   LEU  69          2HB       LEU  69   4.586  -1.392  -3.686
  561    HG   LEU  69           HG       LEU  69   2.956   0.123  -2.249
  562   1HD1  LEU  69          1HD1      LEU  69   2.645  -2.182  -0.494
  563   2HD1  LEU  69          2HD1      LEU  69   1.680  -2.287  -1.967
  564   3HD1  LEU  69          3HD1      LEU  69   1.505  -0.897  -0.895
  565   1HD2  LEU  69          1HD2      LEU  69   5.121   0.076  -1.511
  566   2HD2  LEU  69          2HD2      LEU  69   5.177  -1.685  -1.444
  567   3HD2  LEU  69          3HD2      LEU  69   4.320  -0.782  -0.194
  568    H    VAL  70           H        VAL  70   0.736   0.503  -4.309
  569    HA   VAL  70           HA       VAL  70   2.374   2.869  -4.926
  570    HB   VAL  70           HB       VAL  70  -0.568   3.131  -4.976
  571   1HG1  VAL  70          1HG1      VAL  70   1.068   3.933  -7.277
  572   2HG1  VAL  70          2HG1      VAL  70   1.528   4.674  -5.744
  573   3HG1  VAL  70          3HG1      VAL  70  -0.119   4.850  -6.350
  574   1HG2  VAL  70          1HG2      VAL  70   0.834   1.112  -6.574
  575   2HG2  VAL  70          2HG2      VAL  70  -0.169   2.222  -7.509
  576   3HG2  VAL  70          3HG2      VAL  70  -0.881   1.277  -6.202
  577    H    LEU  71           H        LEU  71   2.026   4.784  -3.728
  578    HA   LEU  71           HA       LEU  71   1.054   4.277  -1.003
  579   1HB   LEU  71          1HB       LEU  71   3.469   5.209  -1.771
  580   2HB   LEU  71          2HB       LEU  71   2.608   6.724  -1.582
  581    HG   LEU  71           HG       LEU  71   3.773   6.216   0.465
  582   1HD1  LEU  71          1HD1      LEU  71   1.020   5.489   1.267
  583   2HD1  LEU  71          2HD1      LEU  71   1.221   6.981   0.347
  584   3HD1  LEU  71          3HD1      LEU  71   2.082   6.761   1.871
  585   1HD2  LEU  71          1HD2      LEU  71   2.241   3.852   1.207
  586   2HD2  LEU  71          2HD2      LEU  71   3.967   4.180   1.358
  587   3HD2  LEU  71          3HD2      LEU  71   3.312   3.586  -0.167
  588    H    ARG  72           H        ARG  72  -0.711   5.268  -0.284
  589    HA   ARG  72           HA       ARG  72  -2.065   7.171  -2.004
  590   1HB   ARG  72          1HB       ARG  72  -3.061   5.165  -0.586
  591   2HB   ARG  72          2HB       ARG  72  -3.135   6.393   0.670
  592   1HG   ARG  72          1HG       ARG  72  -4.519   7.794  -0.740
  593   2HG   ARG  72          2HG       ARG  72  -4.390   6.628  -2.058
  594   1HD   ARG  72          1HD       ARG  72  -5.308   4.995  -0.168
  595   2HD   ARG  72          2HD       ARG  72  -5.974   6.507   0.449
  596    HE   ARG  72           HE       ARG  72  -6.743   5.115  -1.975
  597   1HH1  ARG  72          1HH1      ARG  72  -8.305   8.644  -0.910
  598   2HH1  ARG  72          2HH1      ARG  72  -6.885   8.054  -0.113
  599   1HH2  ARG  72          1HH2      ARG  72  -8.613   5.882  -3.032
  600   2HH2  ARG  72          2HH2      ARG  72  -9.288   7.409  -2.569
  601    H    LEU  73           H        LEU  73  -2.323   9.304  -1.630
  602    HA   LEU  73           HA       LEU  73  -0.603  10.591   0.235
  603   1HB   LEU  73          1HB       LEU  73  -2.891  11.914  -1.197
  604   2HB   LEU  73          2HB       LEU  73  -1.381  12.630  -0.667
  605    HG   LEU  73           HG       LEU  73  -1.241  10.458  -2.697
  606   1HD1  LEU  73          1HD1      LEU  73  -3.116  12.063  -3.333
  607   2HD1  LEU  73          2HD1      LEU  73  -1.825  11.822  -4.510
  608   3HD1  LEU  73          3HD1      LEU  73  -1.852  13.279  -3.517
  609   1HD2  LEU  73          1HD2      LEU  73   0.448  12.319  -3.526
  610   2HD2  LEU  73          2HD2      LEU  73   0.866  11.186  -2.241
  611   3HD2  LEU  73          3HD2      LEU  73   0.337  12.819  -1.839
  612    H    ARG  74           H        ARG  74  -1.852  12.636   1.375
  613    HA   ARG  74           HA       ARG  74  -2.819  11.814   3.747
  614   1HB   ARG  74          1HB       ARG  74  -3.964  13.983   3.966
  615   2HB   ARG  74          2HB       ARG  74  -2.357  14.153   3.272
  616   1HG   ARG  74          1HG       ARG  74  -3.553  14.112   1.002
  617   2HG   ARG  74          2HG       ARG  74  -5.019  14.423   1.933
  618   1HD   ARG  74          1HD       ARG  74  -2.978  16.192   2.836
  619   2HD   ARG  74          2HD       ARG  74  -3.046  16.269   1.075
  620    HE   ARG  74           HE       ARG  74  -4.939  17.341   2.887
  621   1HH1  ARG  74          1HH1      ARG  74  -6.148  16.428  -0.818
  622   2HH1  ARG  74          2HH1      ARG  74  -4.687  15.740  -0.195
  623   1HH2  ARG  74          1HH2      ARG  74  -6.866  18.254   2.077
  624   2HH2  ARG  74          2HH2      ARG  74  -7.387  17.859   0.474
  625    H    GLY  75           H        GLY  75  -4.708  12.155   0.786
  626   1HA   GLY  75          1HA       GLY  75  -6.865  11.542   0.273
  627   2HA   GLY  75          2HA       GLY  75  -6.533  10.167   1.315
  628    H    GLY  76           H        GLY  76  -6.859  13.618   2.101
  629   1HA   GLY  76          1HA       GLY  76  -9.349  13.037   3.528
  630   2HA   GLY  76          2HA       GLY  76  -8.000  13.664   4.463
  Start of MODEL   20
    1   1H    MET   1          1H        MET   1   2.571 -20.235  -1.363
    2   2H    MET   1          2H        MET   1   4.262 -20.075  -1.613
    3   3H    MET   1          3H        MET   1   3.358 -21.203  -2.538
    4    HA   MET   1           HA       MET   1   3.272 -19.665  -4.059
    5   1HB   MET   1          1HB       MET   1   1.061 -19.587  -2.520
    6   2HB   MET   1          2HB       MET   1   1.572 -17.912  -2.375
    7   1HG   MET   1          1HG       MET   1   1.244 -17.472  -4.605
    8   2HG   MET   1          2HG       MET   1   1.407 -19.164  -5.072
    9   1HE   MET   1          1HE       MET   1  -2.369 -16.939  -3.870
   10   2HE   MET   1          2HE       MET   1  -0.852 -16.294  -4.495
   11   3HE   MET   1          3HE       MET   1  -0.959 -16.828  -2.819
   12    H    GLN   2           H        GLN   2   5.126 -18.599  -4.455
   13    HA   GLN   2           HA       GLN   2   6.021 -16.498  -2.644
   14   1HB   GLN   2          1HB       GLN   2   7.820 -17.838  -3.293
   15   2HB   GLN   2          2HB       GLN   2   7.261 -17.953  -4.955
   16   1HG   GLN   2          1HG       GLN   2   8.302 -16.068  -5.575
   17   2HG   GLN   2          2HG       GLN   2   7.923 -15.240  -4.066
   18   1HE2  GLN   2          1HE2      GLN   2   9.237 -15.709  -2.210
   19   2HE2  GLN   2          2HE2      GLN   2  10.883 -16.190  -2.420
   20    H    LEU   3           H        LEU   3   5.156 -14.552  -2.913
   21    HA   LEU   3           HA       LEU   3   4.619 -13.617  -5.654
   22   1HB   LEU   3          1HB       LEU   3   3.427 -12.525  -3.110
   23   2HB   LEU   3          2HB       LEU   3   2.938 -12.163  -4.755
   24    HG   LEU   3           HG       LEU   3   2.575 -14.785  -3.306
   25   1HD1  LEU   3          1HD1      LEU   3   0.994 -13.106  -2.602
   26   2HD1  LEU   3          2HD1      LEU   3   0.179 -14.285  -3.630
   27   3HD1  LEU   3          3HD1      LEU   3   0.623 -12.706  -4.279
   28   1HD2  LEU   3          1HD2      LEU   3   1.112 -14.799  -5.677
   29   2HD2  LEU   3          2HD2      LEU   3   2.550 -15.752  -5.306
   30   3HD2  LEU   3          3HD2      LEU   3   2.709 -14.198  -6.126
   31    H    PHE   4           H        PHE   4   4.865 -11.241  -5.969
   32    HA   PHE   4           HA       PHE   4   7.155 -10.219  -4.419
   33   1HB   PHE   4          1HB       PHE   4   6.553  -9.741  -7.345
   34   2HB   PHE   4          2HB       PHE   4   7.931  -9.100  -6.455
   35    HD1  PHE   4           HD1      PHE   4   8.094 -10.725  -8.981
   36    HD2  PHE   4           HD2      PHE   4   8.160 -11.859  -4.870
   37    HE1  PHE   4           HE1      PHE   4   9.399 -12.736  -9.560
   38    HE2  PHE   4           HE2      PHE   4   9.467 -13.870  -5.442
   39    HZ   PHE   4           HZ       PHE   4  10.087 -14.310  -7.789
   40    H    VAL   5           H        VAL   5   7.346  -7.858  -4.360
   41    HA   VAL   5           HA       VAL   5   4.912  -6.347  -4.869
   42    HB   VAL   5           HB       VAL   5   6.086  -6.612  -2.098
   43   1HG1  VAL   5          1HG1      VAL   5   4.526  -4.485  -3.348
   44   2HG1  VAL   5          2HG1      VAL   5   5.456  -4.480  -1.849
   45   3HG1  VAL   5          3HG1      VAL   5   3.809  -5.108  -1.862
   46   1HG2  VAL   5          1HG2      VAL   5   3.407  -7.363  -3.256
   47   2HG2  VAL   5          2HG2      VAL   5   3.764  -7.332  -1.529
   48   3HG2  VAL   5          3HG2      VAL   5   4.628  -8.446  -2.589
   49    H    LYS   6           H        LYS   6   5.978  -4.999  -6.264
   50    HA   LYS   6           HA       LYS   6   8.458  -3.734  -5.428
   51   1HB   LYS   6          1HB       LYS   6   8.444  -2.737  -7.691
   52   2HB   LYS   6          2HB       LYS   6   8.328  -4.491  -7.725
   53   1HG   LYS   6          1HG       LYS   6   6.154  -4.473  -8.462
   54   2HG   LYS   6          2HG       LYS   6   5.831  -2.868  -7.802
   55   1HD   LYS   6          1HD       LYS   6   7.732  -3.335 -10.086
   56   2HD   LYS   6          2HD       LYS   6   6.011  -3.029 -10.324
   57   1HE   LYS   6          1HE       LYS   6   6.218  -0.894  -9.170
   58   2HE   LYS   6          2HE       LYS   6   7.928  -1.206  -8.874
   59   1HZ   LYS   6          1HZ       LYS   6   7.103  -1.370 -11.646
   60   2HZ   LYS   6          2HZ       LYS   6   8.475  -0.652 -10.964
   61   3HZ   LYS   6          3HZ       LYS   6   6.999   0.174 -10.961
   62    H    THR   7           H        THR   7   8.729  -1.407  -5.515
   63    HA   THR   7           HA       THR   7   6.244   0.054  -4.900
   64    HB   THR   7           HB       THR   7   7.430   1.340  -3.234
   65    HG1  THR   7           HG1      THR   7   9.604   0.933  -2.790
   66   1HG2  THR   7          1HG2      THR   7   6.699  -1.164  -2.776
   67   2HG2  THR   7          2HG2      THR   7   7.512  -0.178  -1.561
   68   3HG2  THR   7          3HG2      THR   7   8.432  -1.344  -2.510
   69    H    LEU   8           H        LEU   8   7.278   2.592  -4.689
   70    HA   LEU   8           HA       LEU   8   7.805   3.194  -7.478
   71   1HB   LEU   8          1HB       LEU   8   7.486   5.140  -5.200
   72   2HB   LEU   8          2HB       LEU   8   7.330   5.472  -6.913
   73    HG   LEU   8           HG       LEU   8   5.477   3.484  -5.685
   74   1HD1  LEU   8          1HD1      LEU   8   5.277   6.470  -5.357
   75   2HD1  LEU   8          2HD1      LEU   8   5.333   5.250  -4.085
   76   3HD1  LEU   8          3HD1      LEU   8   3.925   5.359  -5.141
   77   1HD2  LEU   8          1HD2      LEU   8   4.535   3.649  -7.683
   78   2HD2  LEU   8          2HD2      LEU   8   5.771   4.812  -8.166
   79   3HD2  LEU   8          3HD2      LEU   8   4.270   5.375  -7.429
   80    H    THR   9           H        THR   9   9.752   2.298  -5.070
   81    HA   THR   9           HA       THR   9  11.879   4.217  -5.742
   82    HB   THR   9           HB       THR   9  12.994   3.117  -3.677
   83    HG1  THR   9           HG1      THR   9  11.753   1.948  -2.398
   84   1HG2  THR   9          1HG2      THR   9  11.538   4.467  -2.083
   85   2HG2  THR   9          2HG2      THR   9  10.631   4.948  -3.517
   86   3HG2  THR   9          3HG2      THR   9  12.347   5.336  -3.388
   87    H    GLY  10           H        GLY  10  10.854   1.608  -7.073
   88   1HA   GLY  10          1HA       GLY  10  11.863   0.037  -8.419
   89   2HA   GLY  10          2HA       GLY  10  13.412   0.758  -8.005
   90    H    LYS  11           H        LYS  11  11.630  -0.077  -5.267
   91    HA   LYS  11           HA       LYS  11  13.441  -2.275  -4.710
   92   1HB   LYS  11          1HB       LYS  11  13.223  -0.899  -2.846
   93   2HB   LYS  11          2HB       LYS  11  11.498  -0.665  -3.095
   94   1HG   LYS  11          1HG       LYS  11  11.033  -2.897  -2.324
   95   2HG   LYS  11          2HG       LYS  11  12.758  -3.250  -2.203
   96   1HD   LYS  11          1HD       LYS  11  12.718  -1.121  -0.635
   97   2HD   LYS  11          2HD       LYS  11  11.027  -1.589  -0.446
   98   1HE   LYS  11          1HE       LYS  11  11.760  -2.970   1.151
   99   2HE   LYS  11          2HE       LYS  11  12.345  -3.977  -0.172
  100   1HZ   LYS  11          1HZ       LYS  11  14.361  -2.246   0.098
  101   2HZ   LYS  11          2HZ       LYS  11  14.297  -3.745   0.878
  102   3HZ   LYS  11          3HZ       LYS  11  13.828  -2.344   1.701
  103    H    THR  12           H        THR  12  12.954  -4.333  -5.057
  104    HA   THR  12           HA       THR  12  10.139  -5.060  -5.487
  105    HB   THR  12           HB       THR  12  12.504  -6.773  -6.212
  106    HG1  THR  12           HG1      THR  12  12.540  -5.773  -8.205
  107   1HG2  THR  12          1HG2      THR  12  11.081  -7.727  -7.855
  108   2HG2  THR  12          2HG2      THR  12   9.825  -6.528  -7.547
  109   3HG2  THR  12          3HG2      THR  12  10.210  -7.736  -6.322
  110    H    LEU  13           H        LEU  13   9.166  -5.968  -3.809
  111    HA   LEU  13           HA       LEU  13  10.757  -7.392  -1.811
  112   1HB   LEU  13          1HB       LEU  13   8.595  -5.643  -1.640
  113   2HB   LEU  13          2HB       LEU  13   7.914  -7.213  -1.263
  114    HG   LEU  13           HG       LEU  13  10.339  -6.963   0.198
  115   1HD1  LEU  13          1HD1      LEU  13   9.003  -4.439  -0.188
  116   2HD1  LEU  13          2HD1      LEU  13  10.517  -4.795   0.643
  117   3HD1  LEU  13          3HD1      LEU  13   8.986  -4.914   1.510
  118   1HD2  LEU  13          1HD2      LEU  13   8.213  -8.245   0.698
  119   2HD2  LEU  13          2HD2      LEU  13   7.540  -6.717   1.264
  120   3HD2  LEU  13          3HD2      LEU  13   8.958  -7.403   2.056
  121    H    THR  14           H        THR  14   9.911  -9.419  -0.911
  122    HA   THR  14           HA       THR  14   8.175 -10.970  -2.659
  123    HB   THR  14           HB       THR  14  10.966 -11.906  -1.968
  124    HG1  THR  14           HG1      THR  14  11.476 -10.789  -3.658
  125   1HG2  THR  14          1HG2      THR  14   9.583 -13.814  -2.169
  126   2HG2  THR  14          2HG2      THR  14  10.468 -13.654  -3.686
  127   3HG2  THR  14          3HG2      THR  14   8.778 -13.161  -3.595
  128    H    VAL  15           H        VAL  15   6.755 -11.958  -1.401
  129    HA   VAL  15           HA       VAL  15   7.630 -12.890   1.255
  130    HB   VAL  15           HB       VAL  15   5.137 -12.533   1.872
  131   1HG1  VAL  15          1HG1      VAL  15   7.166 -10.334   1.573
  132   2HG1  VAL  15          2HG1      VAL  15   6.790 -11.293   3.005
  133   3HG1  VAL  15          3HG1      VAL  15   5.632 -10.102   2.411
  134   1HG2  VAL  15          1HG2      VAL  15   3.912 -10.926   0.679
  135   2HG2  VAL  15          2HG2      VAL  15   4.591 -11.981  -0.561
  136   3HG2  VAL  15          3HG2      VAL  15   5.323 -10.409  -0.243
  137    H    GLU  16           H        GLU  16   6.199 -14.625   2.151
  138    HA   GLU  16           HA       GLU  16   5.308 -16.417  -0.012
  139   1HB   GLU  16          1HB       GLU  16   6.051 -17.561   2.622
  140   2HB   GLU  16          2HB       GLU  16   6.290 -18.209   1.005
  141   1HG   GLU  16          1HG       GLU  16   7.886 -15.961   2.211
  142   2HG   GLU  16          2HG       GLU  16   8.394 -17.649   2.157
  143    H    LEU  17           H        LEU  17   3.154 -16.362  -0.075
  144    HA   LEU  17           HA       LEU  17   1.697 -16.735   2.454
  145   1HB   LEU  17          1HB       LEU  17   0.645 -15.091   0.161
  146   2HB   LEU  17          2HB       LEU  17  -0.014 -15.227   1.779
  147    HG   LEU  17           HG       LEU  17   2.736 -14.170   1.629
  148   1HD1  LEU  17          1HD1      LEU  17   2.356 -12.603   0.105
  149   2HD1  LEU  17          2HD1      LEU  17   1.140 -11.922   1.186
  150   3HD1  LEU  17          3HD1      LEU  17   0.668 -13.088  -0.050
  151   1HD2  LEU  17          1HD2      LEU  17   0.393 -14.044   3.334
  152   2HD2  LEU  17          2HD2      LEU  17   1.116 -12.459   3.062
  153   3HD2  LEU  17          3HD2      LEU  17   2.091 -13.772   3.721
  154    H    GLU  18           H        GLU  18  -0.745 -17.266   1.788
  155    HA   GLU  18           HA       GLU  18  -0.577 -19.445  -0.189
  156   1HB   GLU  18          1HB       GLU  18  -2.021 -19.237   2.432
  157   2HB   GLU  18          2HB       GLU  18  -2.578 -20.353   1.197
  158   1HG   GLU  18          1HG       GLU  18  -1.064 -21.825   1.811
  159   2HG   GLU  18          2HG       GLU  18   0.229 -20.663   1.531
  160    HA   PRO  19           HA       PRO  19  -3.692 -17.616  -2.690
  161   1HB   PRO  19          1HB       PRO  19  -5.220 -19.858  -3.256
  162   2HB   PRO  19          2HB       PRO  19  -3.745 -19.394  -4.109
  163   1HG   PRO  19          1HG       PRO  19  -4.122 -21.387  -1.914
  164   2HG   PRO  19          2HG       PRO  19  -3.086 -21.479  -3.350
  165   1HD   PRO  19          1HD       PRO  19  -2.077 -20.913  -0.932
  166   2HD   PRO  19          2HD       PRO  19  -1.440 -20.148  -2.402
  167    H    SER  20           H        SER  20  -4.532 -19.472   0.119
  168    HA   SER  20           HA       SER  20  -7.320 -18.791   0.106
  169   1HB   SER  20          1HB       SER  20  -7.272 -19.706   2.443
  170   2HB   SER  20          2HB       SER  20  -6.655 -20.822   1.225
  171    HG   SER  20           HG       SER  20  -5.422 -19.913   3.389
  172    H    ASP  21           H        ASP  21  -4.461 -17.181   0.955
  173    HA   ASP  21           HA       ASP  21  -5.415 -15.560   3.076
  174   1HB   ASP  21          1HB       ASP  21  -3.142 -15.216   1.116
  175   2HB   ASP  21          2HB       ASP  21  -3.467 -14.072   2.415
  176    H    THR  22           H        THR  22  -5.621 -13.149   2.884
  177    HA   THR  22           HA       THR  22  -6.989 -12.407   0.384
  178    HB   THR  22           HB       THR  22  -8.761 -11.441   1.515
  179    HG1  THR  22           HG1      THR  22  -8.654 -10.702   3.601
  180   1HG2  THR  22          1HG2      THR  22  -7.932 -13.660   3.368
  181   2HG2  THR  22          2HG2      THR  22  -8.926 -13.817   1.920
  182   3HG2  THR  22          3HG2      THR  22  -9.528 -12.914   3.310
  183    H    VAL  23           H        VAL  23  -7.129 -10.036   0.047
  184    HA   VAL  23           HA       VAL  23  -4.711  -8.802  -0.111
  185    HB   VAL  23           HB       VAL  23  -7.391  -7.467   0.295
  186   1HG1  VAL  23          1HG1      VAL  23  -5.943  -5.699  -1.144
  187   2HG1  VAL  23          2HG1      VAL  23  -4.689  -6.368  -0.100
  188   3HG1  VAL  23          3HG1      VAL  23  -6.125  -5.629   0.608
  189   1HG2  VAL  23          1HG2      VAL  23  -6.335  -7.281  -2.354
  190   2HG2  VAL  23          2HG2      VAL  23  -7.832  -8.036  -1.806
  191   3HG2  VAL  23          3HG2      VAL  23  -6.337  -8.970  -1.847
  192    H    GLU  24           H        GLU  24  -7.063  -8.394   2.529
  193    HA   GLU  24           HA       GLU  24  -5.764  -6.549   4.084
  194   1HB   GLU  24          1HB       GLU  24  -8.003  -7.956   4.417
  195   2HB   GLU  24          2HB       GLU  24  -6.963  -8.884   5.490
  196   1HG   GLU  24          1HG       GLU  24  -7.144  -5.906   5.715
  197   2HG   GLU  24          2HG       GLU  24  -8.346  -6.955   6.465
  198    H    ASN  25           H        ASN  25  -5.286 -10.073   4.117
  199    HA   ASN  25           HA       ASN  25  -3.368 -10.190   6.135
  200   1HB   ASN  25          1HB       ASN  25  -3.776 -11.940   3.706
  201   2HB   ASN  25          2HB       ASN  25  -2.634 -12.320   4.992
  202   1HD2  ASN  25          1HD2      ASN  25  -3.833 -11.872   7.257
  203   2HD2  ASN  25          2HD2      ASN  25  -5.304 -12.764   7.417
  204    H    LEU  26           H        LEU  26  -2.840 -10.083   2.607
  205    HA   LEU  26           HA       LEU  26  -0.111 -10.015   2.512
  206   1HB   LEU  26          1HB       LEU  26  -1.156 -10.030   0.440
  207   2HB   LEU  26          2HB       LEU  26  -2.217  -8.695   0.849
  208    HG   LEU  26           HG       LEU  26  -0.471  -7.097   0.544
  209   1HD1  LEU  26          1HD1      LEU  26   1.251  -9.445   0.861
  210   2HD1  LEU  26          2HD1      LEU  26   1.550  -7.752   1.256
  211   3HD1  LEU  26          3HD1      LEU  26   1.764  -8.323  -0.399
  212   1HD2  LEU  26          1HD2      LEU  26   0.311  -7.733  -1.823
  213   2HD2  LEU  26          2HD2      LEU  26  -1.420  -7.571  -1.528
  214   3HD2  LEU  26          3HD2      LEU  26  -0.685  -9.172  -1.607
  215    H    LYS  27           H        LYS  27  -2.237  -7.175   2.847
  216    HA   LYS  27           HA       LYS  27  -0.257  -5.239   3.096
  217   1HB   LYS  27          1HB       LYS  27  -3.077  -5.432   4.110
  218   2HB   LYS  27          2HB       LYS  27  -2.072  -4.053   4.540
  219   1HG   LYS  27          1HG       LYS  27  -2.188  -3.156   2.482
  220   2HG   LYS  27          2HG       LYS  27  -2.139  -4.727   1.678
  221   1HD   LYS  27          1HD       LYS  27  -4.425  -5.048   1.879
  222   2HD   LYS  27          2HD       LYS  27  -4.568  -3.904   3.216
  223   1HE   LYS  27          1HE       LYS  27  -3.612  -2.354   1.143
  224   2HE   LYS  27          2HE       LYS  27  -4.731  -3.458   0.343
  225   1HZ   LYS  27          1HZ       LYS  27  -5.851  -1.453   1.079
  226   2HZ   LYS  27          2HZ       LYS  27  -5.373  -1.735   2.676
  227   3HZ   LYS  27          3HZ       LYS  27  -6.446  -2.799   1.916
  228    H    ALA  28           H        ALA  28  -1.809  -7.231   5.586
  229    HA   ALA  28           HA       ALA  28  -0.705  -6.149   7.865
  230   1HB   ALA  28          1HB       ALA  28  -0.751  -9.099   7.776
  231   2HB   ALA  28          2HB       ALA  28  -2.266  -8.288   7.376
  232   3HB   ALA  28          3HB       ALA  28  -1.486  -7.985   8.929
  233    H    LYS  29           H        LYS  29   0.741  -8.362   5.538
  234    HA   LYS  29           HA       LYS  29   3.110  -8.886   6.998
  235   1HB   LYS  29          1HB       LYS  29   2.706  -8.946   4.001
  236   2HB   LYS  29          2HB       LYS  29   4.005  -9.729   4.891
  237   1HG   LYS  29          1HG       LYS  29   1.076 -10.391   5.129
  238   2HG   LYS  29          2HG       LYS  29   2.272 -11.311   4.212
  239   1HD   LYS  29          1HD       LYS  29   3.189 -10.887   6.905
  240   2HD   LYS  29          2HD       LYS  29   1.583 -11.619   6.912
  241   1HE   LYS  29          1HE       LYS  29   2.335 -13.573   6.108
  242   2HE   LYS  29          2HE       LYS  29   3.423 -12.790   4.962
  243   1HZ   LYS  29          1HZ       LYS  29   4.206 -14.128   7.163
  244   2HZ   LYS  29          2HZ       LYS  29   4.229 -12.530   7.717
  245   3HZ   LYS  29          3HZ       LYS  29   5.139 -12.966   6.360
  246    H    ILE  30           H        ILE  30   2.322  -6.556   4.437
  247    HA   ILE  30           HA       ILE  30   4.856  -5.373   4.224
  248    HB   ILE  30           HB       ILE  30   2.203  -3.984   3.828
  249   1HG1  ILE  30          1HG1      ILE  30   3.796  -5.801   2.023
  250   2HG1  ILE  30          2HG1      ILE  30   2.107  -5.950   2.497
  251   1HG2  ILE  30          1HG2      ILE  30   3.308  -2.355   2.650
  252   2HG2  ILE  30          2HG2      ILE  30   4.664  -3.411   2.251
  253   3HG2  ILE  30          3HG2      ILE  30   4.514  -2.746   3.876
  254   1HD1  ILE  30          1HD1      ILE  30   3.196  -4.698   0.211
  255   2HD1  ILE  30          2HD1      ILE  30   2.433  -3.453   1.200
  256   3HD1  ILE  30          3HD1      ILE  30   1.503  -4.858   0.679
  257    H    GLN  31           H        GLN  31   2.465  -5.176   6.668
  258    HA   GLN  31           HA       GLN  31   3.388  -2.664   7.764
  259   1HB   GLN  31          1HB       GLN  31   1.019  -3.328   7.937
  260   2HB   GLN  31          2HB       GLN  31   1.485  -4.715   8.911
  261   1HG   GLN  31          1HG       GLN  31   2.084  -3.389  10.728
  262   2HG   GLN  31          2HG       GLN  31   2.180  -1.928   9.749
  263   1HE2  GLN  31          1HE2      GLN  31  -0.420  -4.244   9.527
  264   2HE2  GLN  31          2HE2      GLN  31  -1.648  -3.226  10.190
  265    H    ASP  32           H        ASP  32   3.916  -6.074   8.252
  266    HA   ASP  32           HA       ASP  32   5.411  -5.632  10.705
  267   1HB   ASP  32          1HB       ASP  32   4.014  -7.822   9.565
  268   2HB   ASP  32          2HB       ASP  32   5.696  -8.296   9.767
  269    H    LYS  33           H        LYS  33   6.002  -5.553   7.413
  270    HA   LYS  33           HA       LYS  33   8.818  -6.329   7.737
  271   1HB   LYS  33          1HB       LYS  33   6.947  -6.267   5.413
  272   2HB   LYS  33          2HB       LYS  33   8.664  -6.045   5.111
  273   1HG   LYS  33          1HG       LYS  33   8.086  -8.300   6.864
  274   2HG   LYS  33          2HG       LYS  33   7.360  -8.445   5.262
  275   1HD   LYS  33          1HD       LYS  33   9.553  -8.024   4.242
  276   2HD   LYS  33          2HD       LYS  33  10.271  -7.905   5.850
  277   1HE   LYS  33          1HE       LYS  33   9.576 -10.222   6.306
  278   2HE   LYS  33          2HE       LYS  33   8.928 -10.333   4.669
  279   1HZ   LYS  33          1HZ       LYS  33  11.014 -10.338   3.746
  280   2HZ   LYS  33          2HZ       LYS  33  11.300 -11.194   5.176
  281   3HZ   LYS  33          3HZ       LYS  33  11.738  -9.564   5.065
  282    H    GLU  34           H        GLU  34   7.048  -3.948   5.749
  283    HA   GLU  34           HA       GLU  34   9.291  -2.111   5.989
  284   1HB   GLU  34          1HB       GLU  34   6.859  -2.273   4.261
  285   2HB   GLU  34          2HB       GLU  34   7.644  -0.714   4.472
  286   1HG   GLU  34          1HG       GLU  34   9.033  -3.203   3.508
  287   2HG   GLU  34          2HG       GLU  34   8.374  -1.951   2.457
  288    H    GLY  35           H        GLY  35   6.868  -2.808   7.974
  289   1HA   GLY  35          1HA       GLY  35   5.788  -1.685   9.660
  290   2HA   GLY  35          2HA       GLY  35   7.031  -0.457   9.477
  291    H    ILE  36           H        ILE  36   4.686  -1.436   7.031
  292    HA   ILE  36           HA       ILE  36   3.569   1.291   7.143
  293    HB   ILE  36           HB       ILE  36   3.386  -0.513   4.747
  294   1HG1  ILE  36          1HG1      ILE  36   5.582   1.491   5.314
  295   2HG1  ILE  36          2HG1      ILE  36   5.775  -0.259   5.365
  296   1HG2  ILE  36          1HG2      ILE  36   3.235   2.474   5.121
  297   2HG2  ILE  36          2HG2      ILE  36   1.896   1.383   4.762
  298   3HG2  ILE  36          3HG2      ILE  36   3.165   1.645   3.565
  299   1HD1  ILE  36          1HD1      ILE  36   6.560   0.917   3.273
  300   2HD1  ILE  36          2HD1      ILE  36   4.856   1.178   2.901
  301   3HD1  ILE  36          3HD1      ILE  36   5.486  -0.463   3.047
  302    HA   PRO  37           HA       PRO  37  -0.286  -0.658   8.165
  303   1HB   PRO  37          1HB       PRO  37  -1.880   1.498   8.013
  304   2HB   PRO  37          2HB       PRO  37  -0.686   1.317   9.303
  305   1HG   PRO  37          1HG       PRO  37  -0.545   2.946   6.800
  306   2HG   PRO  37          2HG       PRO  37  -0.015   3.364   8.438
  307   1HD   PRO  37          1HD       PRO  37   1.664   2.490   6.442
  308   2HD   PRO  37          2HD       PRO  37   2.003   2.322   8.175
  309    HA   PRO  38           HA       PRO  38  -2.160  -1.861   4.355
  310   1HB   PRO  38          1HB       PRO  38  -4.720  -1.826   5.863
  311   2HB   PRO  38          2HB       PRO  38  -3.970  -3.137   4.947
  312   1HG   PRO  38          1HG       PRO  38  -3.959  -3.150   7.614
  313   2HG   PRO  38          2HG       PRO  38  -2.559  -3.725   6.690
  314   1HD   PRO  38          1HD       PRO  38  -2.946  -1.141   8.141
  315   2HD   PRO  38          2HD       PRO  38  -1.487  -2.142   7.984
  316    H    ASP  39           H        ASP  39  -3.677   0.695   6.259
  317    HA   ASP  39           HA       ASP  39  -5.264   1.684   4.087
  318   1HB   ASP  39          1HB       ASP  39  -5.616   3.645   5.658
  319   2HB   ASP  39          2HB       ASP  39  -6.122   2.071   6.265
  320    H    GLN  40           H        GLN  40  -2.051   1.686   4.370
  321    HA   GLN  40           HA       GLN  40  -1.790   4.318   3.073
  322   1HB   GLN  40          1HB       GLN  40   0.065   2.973   5.030
  323   2HB   GLN  40          2HB       GLN  40   0.596   4.279   3.980
  324   1HG   GLN  40          1HG       GLN  40  -1.087   5.752   4.959
  325   2HG   GLN  40          2HG       GLN  40  -1.618   4.442   6.012
  326   1HE2  GLN  40          1HE2      GLN  40  -0.947   6.629   7.278
  327   2HE2  GLN  40          2HE2      GLN  40   0.604   6.508   8.027
  328    H    GLN  41           H        GLN  41  -1.805   1.143   2.454
  329    HA   GLN  41           HA       GLN  41   0.323   1.369   0.426
  330   1HB   GLN  41          1HB       GLN  41  -0.426  -1.368   0.934
  331   2HB   GLN  41          2HB       GLN  41   1.157  -0.609   1.036
  332   1HG   GLN  41          1HG       GLN  41   0.962  -0.181   3.285
  333   2HG   GLN  41          2HG       GLN  41  -0.801  -0.222   3.246
  334   1HE2  GLN  41          1HE2      GLN  41   0.528  -1.573   5.190
  335   2HE2  GLN  41          2HE2      GLN  41   0.393  -3.275   4.928
  336    H    ARG  42           H        ARG  42  -0.261   1.197  -1.635
  337    HA   ARG  42           HA       ARG  42  -2.958   0.168  -2.232
  338   1HB   ARG  42          1HB       ARG  42  -1.545   2.602  -3.086
  339   2HB   ARG  42          2HB       ARG  42  -2.327   1.722  -4.392
  340   1HG   ARG  42          1HG       ARG  42  -4.029   2.029  -2.051
  341   2HG   ARG  42          2HG       ARG  42  -3.515   3.567  -2.747
  342   1HD   ARG  42          1HD       ARG  42  -4.348   2.904  -4.918
  343   2HD   ARG  42          2HD       ARG  42  -4.771   1.308  -4.299
  344    HE   ARG  42           HE       ARG  42  -6.712   2.200  -3.513
  345   1HH1  ARG  42          1HH1      ARG  42  -5.544   6.029  -3.555
  346   2HH1  ARG  42          2HH1      ARG  42  -4.413   4.778  -3.950
  347   1HH2  ARG  42          1HH2      ARG  42  -8.211   3.838  -2.995
  348   2HH2  ARG  42          2HH2      ARG  42  -7.704   5.495  -3.012
  349    H    LEU  43           H        LEU  43  -2.997  -1.634  -3.406
  350    HA   LEU  43           HA       LEU  43  -0.640  -2.275  -5.052
  351   1HB   LEU  43          1HB       LEU  43  -2.609  -4.338  -4.143
  352   2HB   LEU  43          2HB       LEU  43  -0.930  -4.541  -4.606
  353    HG   LEU  43           HG       LEU  43  -1.883  -3.237  -2.055
  354   1HD1  LEU  43          1HD1      LEU  43  -1.945  -5.890  -2.610
  355   2HD1  LEU  43          2HD1      LEU  43  -1.712  -5.209  -1.000
  356   3HD1  LEU  43          3HD1      LEU  43  -0.317  -5.714  -1.954
  357   1HD2  LEU  43          1HD2      LEU  43   0.553  -3.508  -1.446
  358   2HD2  LEU  43          2HD2      LEU  43   0.190  -2.264  -2.641
  359   3HD2  LEU  43          3HD2      LEU  43   0.855  -3.814  -3.157
  360    H    ILE  44           H        ILE  44  -0.890  -2.532  -7.178
  361    HA   ILE  44           HA       ILE  44  -3.621  -2.824  -8.244
  362    HB   ILE  44           HB       ILE  44  -1.408  -1.138  -9.423
  363   1HG1  ILE  44          1HG1      ILE  44  -4.087  -0.206  -8.393
  364   2HG1  ILE  44          2HG1      ILE  44  -2.654  -0.258  -7.372
  365   1HG2  ILE  44          1HG2      ILE  44  -3.156  -0.449 -11.047
  366   2HG2  ILE  44          2HG2      ILE  44  -4.207  -1.702 -10.387
  367   3HG2  ILE  44          3HG2      ILE  44  -2.695  -2.146 -11.181
  368   1HD1  ILE  44          1HD1      ILE  44  -3.438   1.880  -8.828
  369   2HD1  ILE  44          2HD1      ILE  44  -2.281   1.125  -9.925
  370   3HD1  ILE  44          3HD1      ILE  44  -1.783   1.581  -8.296
  371    H    PHE  45           H        PHE  45  -3.378  -5.047  -8.549
  372    HA   PHE  45           HA       PHE  45  -1.138  -6.098 -10.025
  373   1HB   PHE  45          1HB       PHE  45  -2.112  -7.495  -8.322
  374   2HB   PHE  45          2HB       PHE  45  -3.705  -7.368  -9.060
  375    HD1  PHE  45           HD1      PHE  45  -0.266  -8.628  -9.687
  376    HD2  PHE  45           HD2      PHE  45  -4.416  -8.942 -10.617
  377    HE1  PHE  45           HE1      PHE  45   0.187 -10.659 -11.009
  378    HE2  PHE  45           HE2      PHE  45  -3.970 -10.973 -11.940
  379    HZ   PHE  45           HZ       PHE  45  -1.666 -11.834 -12.137
  380    H    ALA  46           H        ALA  46  -0.957  -6.134 -12.155
  381    HA   ALA  46           HA       ALA  46  -1.450  -5.984 -14.373
  382   1HB   ALA  46          1HB       ALA  46  -3.679  -7.663 -13.302
  383   2HB   ALA  46          2HB       ALA  46  -2.318  -8.126 -14.324
  384   3HB   ALA  46          3HB       ALA  46  -3.655  -7.197 -15.003
  385    H    GLY  47           H        GLY  47  -2.316  -3.803 -12.610
  386   1HA   GLY  47          1HA       GLY  47  -3.228  -1.729 -13.207
  387   2HA   GLY  47          2HA       GLY  47  -4.111  -2.514 -14.507
  388    H    LYS  48           H        LYS  48  -4.743  -4.493 -12.074
  389    HA   LYS  48           HA       LYS  48  -7.277  -3.180 -11.486
  390   1HB   LYS  48          1HB       LYS  48  -6.267  -5.956 -11.464
  391   2HB   LYS  48          2HB       LYS  48  -7.434  -5.568 -10.207
  392   1HG   LYS  48          1HG       LYS  48  -8.597  -4.490 -12.439
  393   2HG   LYS  48          2HG       LYS  48  -7.816  -5.941 -13.072
  394   1HD   LYS  48          1HD       LYS  48  -9.030  -7.352 -11.649
  395   2HD   LYS  48          2HD       LYS  48  -9.494  -6.023 -10.584
  396   1HE   LYS  48          1HE       LYS  48 -11.062  -5.194 -12.120
  397   2HE   LYS  48          2HE       LYS  48 -10.380  -6.130 -13.450
  398   1HZ   LYS  48          1HZ       LYS  48 -11.078  -8.103 -11.860
  399   2HZ   LYS  48          2HZ       LYS  48 -12.160  -7.421 -12.967
  400   3HZ   LYS  48          3HZ       LYS  48 -12.216  -6.964 -11.339
  401    H    GLN  49           H        GLN  49  -7.587  -2.064  -9.684
  402    HA   GLN  49           HA       GLN  49  -5.617  -1.960  -7.623
  403   1HB   GLN  49          1HB       GLN  49  -7.559  -0.251  -8.492
  404   2HB   GLN  49          2HB       GLN  49  -8.285  -0.868  -7.013
  405   1HG   GLN  49          1HG       GLN  49  -5.870   0.812  -7.388
  406   2HG   GLN  49          2HG       GLN  49  -7.164   0.933  -6.195
  407   1HE2  GLN  49          1HE2      GLN  49  -7.241  -1.217  -4.814
  408   2HE2  GLN  49          2HE2      GLN  49  -5.722  -1.651  -4.115
  409    H    LEU  50           H        LEU  50  -5.362  -3.731  -6.398
  410    HA   LEU  50           HA       LEU  50  -7.130  -5.699  -5.753
  411   1HB   LEU  50          1HB       LEU  50  -5.035  -4.553  -3.906
  412   2HB   LEU  50          2HB       LEU  50  -5.770  -6.138  -3.761
  413    HG   LEU  50           HG       LEU  50  -3.802  -5.167  -5.807
  414   1HD1  LEU  50          1HD1      LEU  50  -3.718  -6.813  -3.488
  415   2HD1  LEU  50          2HD1      LEU  50  -2.403  -6.356  -4.570
  416   3HD1  LEU  50          3HD1      LEU  50  -3.353  -7.806  -4.899
  417   1HD2  LEU  50          1HD2      LEU  50  -5.125  -6.206  -7.330
  418   2HD2  LEU  50          2HD2      LEU  50  -5.912  -7.221  -6.120
  419   3HD2  LEU  50          3HD2      LEU  50  -4.297  -7.628  -6.698
  420    H    GLU  51           H        GLU  51  -8.885  -5.928  -4.516
  421    HA   GLU  51           HA       GLU  51  -9.743  -3.620  -2.923
  422   1HB   GLU  51          1HB       GLU  51 -11.300  -5.982  -3.989
  423   2HB   GLU  51          2HB       GLU  51 -11.988  -4.698  -3.003
  424   1HG   GLU  51          1HG       GLU  51 -11.936  -3.174  -4.692
  425   2HG   GLU  51          2HG       GLU  51 -10.550  -3.928  -5.480
  426    H    ASP  52           H        ASP  52  -9.306  -3.719  -0.827
  427    HA   ASP  52           HA       ASP  52  -8.446  -5.945   0.583
  428   1HB   ASP  52          1HB       ASP  52  -8.234  -3.548   1.303
  429   2HB   ASP  52          2HB       ASP  52  -9.931  -3.597   1.774
  430    H    GLY  53           H        GLY  53  -9.755  -7.734   0.197
  431   1HA   GLY  53          1HA       GLY  53 -11.650  -8.436   2.024
  432   2HA   GLY  53          2HA       GLY  53 -12.579  -7.665   0.748
  433    H    ARG  54           H        ARG  54 -10.547  -8.662  -1.253
  434    HA   ARG  54           HA       ARG  54 -11.803 -11.259  -1.647
  435   1HB   ARG  54          1HB       ARG  54  -9.829 -10.188  -3.595
  436   2HB   ARG  54          2HB       ARG  54 -11.346 -11.028  -3.880
  437   1HG   ARG  54          1HG       ARG  54 -10.975  -8.142  -3.116
  438   2HG   ARG  54          2HG       ARG  54 -11.569  -8.783  -4.650
  439   1HD   ARG  54          1HD       ARG  54 -13.257  -9.915  -2.786
  440   2HD   ARG  54          2HD       ARG  54 -12.987  -8.290  -2.157
  441    HE   ARG  54           HE       ARG  54 -13.592  -8.262  -4.941
  442   1HH1  ARG  54          1HH1      ARG  54 -16.553  -7.923  -2.268
  443   2HH1  ARG  54          2HH1      ARG  54 -15.011  -8.537  -1.773
  444   1HH2  ARG  54          1HH2      ARG  54 -15.619  -7.451  -5.605
  445   2HH2  ARG  54          2HH2      ARG  54 -16.899  -7.305  -4.448
  446    H    THR  55           H        THR  55 -10.402 -13.040  -2.539
  447    HA   THR  55           HA       THR  55  -8.110 -13.372  -0.767
  448    HB   THR  55           HB       THR  55  -8.202 -15.747  -1.526
  449    HG1  THR  55           HG1      THR  55  -9.736 -16.397  -2.921
  450   1HG2  THR  55          1HG2      THR  55  -9.409 -15.485   0.426
  451   2HG2  THR  55          2HG2      THR  55 -10.583 -16.211  -0.672
  452   3HG2  THR  55          3HG2      THR  55 -10.634 -14.479  -0.346
  453    H    LEU  56           H        LEU  56  -6.231 -14.674  -1.747
  454    HA   LEU  56           HA       LEU  56  -5.057 -13.097  -3.793
  455   1HB   LEU  56          1HB       LEU  56  -4.164 -15.769  -2.705
  456   2HB   LEU  56          2HB       LEU  56  -3.185 -14.671  -3.657
  457    HG   LEU  56           HG       LEU  56  -3.978 -14.503  -0.795
  458   1HD1  LEU  56          1HD1      LEU  56  -1.479 -13.783  -2.320
  459   2HD1  LEU  56          2HD1      LEU  56  -1.758 -15.281  -1.431
  460   3HD1  LEU  56          3HD1      LEU  56  -1.668 -13.747  -0.567
  461   1HD2  LEU  56          1HD2      LEU  56  -3.620 -12.151  -2.628
  462   2HD2  LEU  56          2HD2      LEU  56  -3.288 -12.053  -0.899
  463   3HD2  LEU  56          3HD2      LEU  56  -4.910 -12.456  -1.462
  464    H    SER  57           H        SER  57  -6.159 -16.482  -3.731
  465    HA   SER  57           HA       SER  57  -5.616 -17.039  -6.431
  466   1HB   SER  57          1HB       SER  57  -6.128 -19.070  -5.632
  467   2HB   SER  57          2HB       SER  57  -6.893 -18.364  -4.209
  468    HG   SER  57           HG       SER  57  -8.813 -18.229  -5.331
  469    H    ASP  58           H        ASP  58  -8.026 -15.120  -4.992
  470    HA   ASP  58           HA       ASP  58 -10.084 -15.437  -6.930
  471   1HB   ASP  58          1HB       ASP  58  -9.494 -13.506  -4.733
  472   2HB   ASP  58          2HB       ASP  58 -10.664 -13.031  -5.960
  473    H    TYR  59           H        TYR  59  -7.076 -13.850  -6.970
  474    HA   TYR  59           HA       TYR  59  -7.896 -12.209  -9.273
  475   1HB   TYR  59          1HB       TYR  59  -5.645 -11.871  -7.295
  476   2HB   TYR  59          2HB       TYR  59  -5.722 -10.971  -8.805
  477    HD1  TYR  59           HD1      TYR  59  -8.069  -9.758  -9.211
  478    HD2  TYR  59           HD2      TYR  59  -6.513 -10.876  -5.403
  479    HE1  TYR  59           HE1      TYR  59  -9.508  -8.073  -8.135
  480    HE2  TYR  59           HE2      TYR  59  -7.950  -9.194  -4.315
  481    HH   TYR  59           HH       TYR  59 -10.216  -7.212  -6.207
  482    H    ASN  60           H        ASN  60  -7.381 -14.997  -9.514
  483    HA   ASN  60           HA       ASN  60  -5.999 -16.540 -10.530
  484   1HB   ASN  60          1HB       ASN  60  -5.293 -15.564 -12.864
  485   2HB   ASN  60          2HB       ASN  60  -6.994 -15.832 -12.497
  486   1HD2  ASN  60          1HD2      ASN  60  -8.316 -14.053 -12.019
  487   2HD2  ASN  60          2HD2      ASN  60  -7.873 -12.451 -12.492
  488    H    LEU  61           H        LEU  61  -4.574 -14.955  -8.608
  489    HA   LEU  61           HA       LEU  61  -2.100 -14.055  -9.673
  490   1HB   LEU  61          1HB       LEU  61  -3.142 -14.658  -6.941
  491   2HB   LEU  61          2HB       LEU  61  -1.415 -14.452  -7.160
  492    HG   LEU  61           HG       LEU  61  -3.192 -12.343  -8.269
  493   1HD1  LEU  61          1HD1      LEU  61  -4.265 -12.538  -6.190
  494   2HD1  LEU  61          2HD1      LEU  61  -3.098 -11.231  -5.986
  495   3HD1  LEU  61          3HD1      LEU  61  -2.749 -12.836  -5.342
  496   1HD2  LEU  61          1HD2      LEU  61  -0.987 -11.848  -8.660
  497   2HD2  LEU  61          2HD2      LEU  61  -0.440 -12.588  -7.156
  498   3HD2  LEU  61          3HD2      LEU  61  -1.246 -11.020  -7.125
  499    H    GLN  62           H        GLN  62  -0.527 -15.253 -10.488
  500    HA   GLN  62           HA       GLN  62  -0.403 -18.099  -9.854
  501   1HB   GLN  62          1HB       GLN  62   0.742 -16.379 -12.026
  502   2HB   GLN  62          2HB       GLN  62   1.437 -17.962 -11.702
  503   1HG   GLN  62          1HG       GLN  62  -0.923 -18.873 -11.954
  504   2HG   GLN  62          2HG       GLN  62  -1.336 -17.298 -12.630
  505   1HE2  GLN  62          1HE2      GLN  62   0.254 -16.567 -14.379
  506   2HE2  GLN  62          2HE2      GLN  62   0.676 -17.760 -15.557
  507    H    LYS  63           H        LYS  63   2.133 -18.813 -10.112
  508    HA   LYS  63           HA       LYS  63   3.315 -17.965  -7.665
  509   1HB   LYS  63          1HB       LYS  63   3.476 -20.241  -9.043
  510   2HB   LYS  63          2HB       LYS  63   4.919 -19.461  -9.677
  511   1HG   LYS  63          1HG       LYS  63   5.445 -19.046  -7.150
  512   2HG   LYS  63          2HG       LYS  63   4.326 -20.389  -6.911
  513   1HD   LYS  63          1HD       LYS  63   6.759 -20.461  -8.693
  514   2HD   LYS  63          2HD       LYS  63   6.683 -21.117  -7.057
  515   1HE   LYS  63          1HE       LYS  63   5.396 -22.891  -7.681
  516   2HE   LYS  63          2HE       LYS  63   4.608 -22.000  -8.983
  517   1HZ   LYS  63          1HZ       LYS  63   6.282 -23.854  -9.558
  518   2HZ   LYS  63          2HZ       LYS  63   7.462 -22.700  -9.190
  519   3HZ   LYS  63          3HZ       LYS  63   6.345 -22.401 -10.424
  520    H    GLU  64           H        GLU  64   4.739 -16.393  -7.289
  521    HA   GLU  64           HA       GLU  64   6.254 -14.725  -7.604
  522   1HB   GLU  64          1HB       GLU  64   6.816 -15.942 -10.308
  523   2HB   GLU  64          2HB       GLU  64   7.874 -14.906  -9.360
  524   1HG   GLU  64          1HG       GLU  64   7.906 -16.721  -7.619
  525   2HG   GLU  64          2HG       GLU  64   7.089 -17.750  -8.796
  526    H    SER  65           H        SER  65   4.232 -13.445  -7.722
  527    HA   SER  65           HA       SER  65   3.717 -12.363 -10.405
  528   1HB   SER  65          1HB       SER  65   2.044 -11.872  -7.942
  529   2HB   SER  65          2HB       SER  65   1.584 -11.658  -9.631
  530    HG   SER  65           HG       SER  65   1.875 -13.990  -9.819
  531    H    THR  66           H        THR  66   3.776 -10.150 -10.797
  532    HA   THR  66           HA       THR  66   5.405  -8.634  -8.893
  533    HB   THR  66           HB       THR  66   4.718  -7.755 -11.686
  534    HG1  THR  66           HG1      THR  66   6.481  -9.757 -10.863
  535   1HG2  THR  66          1HG2      THR  66   6.178  -6.530  -9.719
  536   2HG2  THR  66          2HG2      THR  66   6.284  -6.200 -11.448
  537   3HG2  THR  66          3HG2      THR  66   7.413  -7.326 -10.693
  538    H    ILE  67           H        ILE  67   4.211  -7.553  -7.457
  539    HA   ILE  67           HA       ILE  67   1.720  -6.280  -8.340
  540    HB   ILE  67           HB       ILE  67   2.764  -6.816  -5.559
  541   1HG1  ILE  67          1HG1      ILE  67   0.254  -7.931  -6.779
  542   2HG1  ILE  67          2HG1      ILE  67   1.809  -8.703  -7.075
  543   1HG2  ILE  67          1HG2      ILE  67  -0.012  -6.092  -5.685
  544   2HG2  ILE  67          2HG2      ILE  67   0.988  -4.819  -6.384
  545   3HG2  ILE  67          3HG2      ILE  67   1.290  -5.375  -4.737
  546   1HD1  ILE  67          1HD1      ILE  67   1.250  -8.139  -4.258
  547   2HD1  ILE  67          2HD1      ILE  67   1.895  -9.589  -5.027
  548   3HD1  ILE  67          3HD1      ILE  67   0.156  -9.295  -5.019
  549    H    HIS  68           H        HIS  68   1.510  -4.130  -8.474
  550    HA   HIS  68           HA       HIS  68   3.854  -2.491  -7.929
  551   1HB   HIS  68          1HB       HIS  68   1.235  -1.679  -9.204
  552   2HB   HIS  68          2HB       HIS  68   2.747  -0.775  -9.226
  553    HD1  HIS  68           HD1      HIS  68   2.687  -0.816 -11.838
  554    HD2  HIS  68           HD2      HIS  68   2.983  -4.553 -10.046
  555    HE1  HIS  68           HE1      HIS  68   3.359  -2.392 -13.678
  556    HE2  HIS  68           HE2      HIS  68   3.463  -4.661 -12.586
  557    H    LEU  69           H        LEU  69   4.078  -1.496  -6.050
  558    HA   LEU  69           HA       LEU  69   1.707  -0.975  -4.411
  559   1HB   LEU  69          1HB       LEU  69   3.802  -2.217  -3.573
  560   2HB   LEU  69          2HB       LEU  69   4.558  -0.636  -3.527
  561    HG   LEU  69           HG       LEU  69   1.951  -0.894  -2.140
  562   1HD1  LEU  69          1HD1      LEU  69   2.677  -2.841  -1.198
  563   2HD1  LEU  69          2HD1      LEU  69   3.441  -1.679  -0.114
  564   3HD1  LEU  69          3HD1      LEU  69   4.382  -2.434  -1.400
  565   1HD2  LEU  69          1HD2      LEU  69   2.640   0.991  -1.189
  566   2HD2  LEU  69          2HD2      LEU  69   4.016   0.965  -2.291
  567   3HD2  LEU  69          3HD2      LEU  69   4.160   0.252  -0.684
  568    H    VAL  70           H        VAL  70   0.968   1.016  -4.038
  569    HA   VAL  70           HA       VAL  70   2.645   3.292  -4.874
  570    HB   VAL  70           HB       VAL  70  -0.060   4.109  -4.911
  571   1HG1  VAL  70          1HG1      VAL  70   2.246   3.981  -6.677
  572   2HG1  VAL  70          2HG1      VAL  70   1.023   5.239  -6.500
  573   3HG1  VAL  70          3HG1      VAL  70   0.716   3.850  -7.542
  574   1HG2  VAL  70          1HG2      VAL  70  -0.569   1.664  -5.083
  575   2HG2  VAL  70          2HG2      VAL  70   0.321   1.647  -6.605
  576   3HG2  VAL  70          3HG2      VAL  70  -1.134   2.632  -6.445
  577    H    LEU  71           H        LEU  71   2.816   5.001  -3.523
  578    HA   LEU  71           HA       LEU  71   2.078   4.630  -0.789
  579   1HB   LEU  71          1HB       LEU  71   4.085   5.946  -1.961
  580   2HB   LEU  71          2HB       LEU  71   2.974   7.289  -1.768
  581    HG   LEU  71           HG       LEU  71   4.683   6.964   0.073
  582   1HD1  LEU  71          1HD1      LEU  71   2.728   8.365   0.373
  583   2HD1  LEU  71          2HD1      LEU  71   3.071   7.472   1.855
  584   3HD1  LEU  71          3HD1      LEU  71   1.757   6.956   0.797
  585   1HD2  LEU  71          1HD2      LEU  71   4.771   5.100   1.297
  586   2HD2  LEU  71          2HD2      LEU  71   3.835   4.357   0.000
  587   3HD2  LEU  71          3HD2      LEU  71   3.015   4.995   1.425
  588    H    ARG  72           H        ARG  72  -0.284   4.446  -1.396
  589    HA   ARG  72           HA       ARG  72  -2.393   5.337  -1.701
  590   1HB   ARG  72          1HB       ARG  72  -2.211   5.490   0.655
  591   2HB   ARG  72          2HB       ARG  72  -1.147   6.886   0.561
  592   1HG   ARG  72          1HG       ARG  72  -2.877   8.344   0.120
  593   2HG   ARG  72          2HG       ARG  72  -3.926   7.072  -0.507
  594   1HD   ARG  72          1HD       ARG  72  -4.587   6.398   1.579
  595   2HD   ARG  72          2HD       ARG  72  -3.090   6.933   2.343
  596    HE   ARG  72           HE       ARG  72  -4.679   9.101   1.352
  597   1HH1  ARG  72          1HH1      ARG  72  -4.942   7.963   5.182
  598   2HH1  ARG  72          2HH1      ARG  72  -4.215   6.907   4.016
  599   1HH2  ARG  72          1HH2      ARG  72  -5.636  10.501   2.878
  600   2HH2  ARG  72          2HH2      ARG  72  -5.750  10.006   4.534
  601    H    LEU  73           H        LEU  73  -2.288   6.212  -3.786
  602    HA   LEU  73           HA       LEU  73  -1.225   8.741  -4.416
  603   1HB   LEU  73          1HB       LEU  73  -1.879   6.829  -5.985
  604   2HB   LEU  73          2HB       LEU  73  -3.517   7.441  -5.866
  605    HG   LEU  73           HG       LEU  73  -1.673   9.567  -6.539
  606   1HD1  LEU  73          1HD1      LEU  73  -0.386   7.699  -7.518
  607   2HD1  LEU  73          2HD1      LEU  73  -1.010   8.816  -8.732
  608   3HD1  LEU  73          3HD1      LEU  73  -1.801   7.260  -8.475
  609   1HD2  LEU  73          1HD2      LEU  73  -4.098   9.655  -6.826
  610   2HD2  LEU  73          2HD2      LEU  73  -4.009   8.344  -8.003
  611   3HD2  LEU  73          3HD2      LEU  73  -3.259   9.901  -8.358
  612    H    ARG  74           H        ARG  74  -1.957  10.179  -2.803
  613    HA   ARG  74           HA       ARG  74  -4.189  11.717  -3.480
  614   1HB   ARG  74          1HB       ARG  74  -4.758   9.455  -1.748
  615   2HB   ARG  74          2HB       ARG  74  -5.170  10.981  -0.978
  616   1HG   ARG  74          1HG       ARG  74  -6.069  10.835  -3.739
  617   2HG   ARG  74          2HG       ARG  74  -6.752   9.567  -2.720
  618   1HD   ARG  74          1HD       ARG  74  -7.215  11.500  -1.057
  619   2HD   ARG  74          2HD       ARG  74  -6.995  12.541  -2.463
  620    HE   ARG  74           HE       ARG  74  -8.842  10.406  -2.939
  621   1HH1  ARG  74          1HH1      ARG  74 -10.155  14.010  -1.790
  622   2HH1  ARG  74          2HH1      ARG  74  -8.485  13.596  -1.589
  623   1HH2  ARG  74          1HH2      ARG  74 -11.044  10.940  -3.209
  624   2HH2  ARG  74          2HH2      ARG  74 -11.610  12.500  -2.712
  625    H    GLY  75           H        GLY  75  -3.272  10.811  -0.177
  626   1HA   GLY  75          1HA       GLY  75  -2.487  13.582   0.309
  627   2HA   GLY  75          2HA       GLY  75  -2.749  12.347   1.530
  628    H    GLY  76           H        GLY  76  -0.967  10.733  -0.585
  629   1HA   GLY  76          1HA       GLY  76   1.606  11.780   0.409
  630   2HA   GLY  76          2HA       GLY  76   1.224  10.069   0.532