*HEADER    COMPLEX (DNA-BINDING PROTEIN/DNA)       09-MAY-95   1HRY    
*TITLE     THE 3D STRUCTURE OF THE HUMAN SRY-DNA COMPLEX SOLVED BY     
*TITLE    2 MULTID-DIMENSIONAL HETERONUCLEAR-EDITED AND -FILTERED NMR  
*COMPND    MOL_ID: 1;                                                  
*COMPND   2 MOLECULE: HUMAN SRY;                                       
*COMPND   3 CHAIN: A;                                                  
*COMPND   4 MOL_ID: 2;                                                 
*COMPND   5 MOLECULE: DNA;                                             
*COMPND   6 CHAIN: B;                                                  
*COMPND   7 ENGINEERED: YES                                            
*SOURCE    MOL_ID: 1;                                                  
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                         
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                    
*SOURCE   4 MOL_ID: 2;                                                 
*SOURCE   5 SYNTHETIC: YES                                             
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR    G.M.CLORE,M.H.WERNER,J.R.HUTH,A.M.GRONENBORN                
*REVDAT   1   15-SEP-95 1HRY    0                                      

REMARK  Solution structure of the Human SRY-DNA complex
REMARK
REMARK   Authors: G.M. Clore, M.H. Werber, J. R. Juth and A.M. Gronenborn
REMARK            Laboratory of Chemical Physics, Bldg 5, Rm 132
REMARK            NIDDK, National Institutes of Health
REMARK            Bethesda, MD 20892-0520
REMARK  Tel: (301) 496 0782; FAX (301) 496 0825; 
REMARK  
REMARK   References:
REMARK   M.H. Werner, J.R. Huth, A.M. Gronenborn and G.M. Clore
REMARK   (1995) Molecular Basis of Human 46X,Y sex reversal revealed
REMARK   from the three-dimensional solution structure of the human
REMARK   SRY-DNA complex Cell in press (june 2 issue)
REMARK 
REMARK
REMARK   The 3D structure of the human SRY-DNA complex
REMARK   solved by multid-dimensional heteronuclear-edited and -filtered 
REMARK   NMR is based on 1805 experimental restraints:
REMARK   (a) intra-protein: 290 sequential (|i-j|=1), 221 medium
REMARK   range (1 < |i-j| >=5) and 107 long range (|i-j| >5) interresidues and
REMARK   238 intraresidue approximate interproton distance restraints; 70
REMARK   distance restraints for 35 hydrogen bonds; 153 torsion angle
REMARK   (71 phi, 10 psi, 56 chi1 and 16 chi2) restraints; 56 three-bond
REMARK   HN-Ha coupling constant restraints; and 145 (73 Calpha and 72 Cbeta)
REMARK   13C shift restraints.
REMARK   (b) intra-DNA: 206 intraresidue, 96 sequential intrastrand, 36
REMARK   interstrand interproton distance restraints; 40 H-bond restraints;
REMARK   72 torsion angle restraints (for alpha, beta, gamma, epsilon and
REMARK   zeta backbone torsion angles.
REMARK   (c) intermolecular: 75 interproton distance restraints
REMARK   
REMARK
REMARK    The structures were calculated using the simulated annealing
REMARK    protocol of Nilges et al. (1988) FEBS Lett. 229, 129-136
REMARK    using the program XPLOR 3.1 (Brunger) modified to incorporate
REMARK    coupling constant (Garrett et al. (1984) J. Magn Reson. Series B
REMARK    104, 99-103) and carbon chemical shift (Kuszewski et al. (1995)
REMARK    J. Magn. Reson. Series B 106, 92-96) restraints
REMARK
REMARK
REMARK    The structures have been provided in sry_complex.pdb
REMARK
REMARK    The NOE restraints are given in (A), the torsion angle restraints
REMARK    in (B), the coupling constant restraints in (C), and the
REMARK    chemical shift restraints in (D); and the complete set
REMARK    of 1H, 15N and 13C assignments in (E)
REMARK
REMARK

A. NOE interproton distance restraints

The restraints are represented by square-well potentials with the upper (u)
and lower (l) limits given  by u=i+k and l=i-j where the numbers are
entered in the order i,j,k. [Clore et al. (1986) EMBO J. 5, 2729-2735]

The NOEs are classified into three distance ranges corresponding to
strong, medium and weak NOEs.  These are 1.8-2.7 A, 1.8-3.3 A and 1.8-5.0 A,
respectively.  

The atom notation follows standard PDB format.  The # indicates a single
wild card, and the * a full wild card. e.g. For Leu, HD* representes all the
methyl protons; for a normal methylene beta proton, HB# represents the 
two protons.  In these cases, the distances are calculated as centre 
 averages.

Note that the hard sphere van der Waals repulsion term ensures that
the minimum lower limit for all distances is the sum of the relevant
hard sphere atom radii.

B. Torsion angle restraints

The torsion angle restraints are derived from coupling constant and NOE data
using the conformational grid search program STEREOSEARCH [Nilges, M.,
Clore, G.M. & Gronenborn, A.M. (1990) Biopolymers 29, 813-822].
They are represented by a square well potential
[Clore et al. (1986) EMBO J. 5, 2729-2735].  The upper and lower limits are 
given by i+j and i-j respectively, where the numbers are entered in the order
x,i,j,m.  x is the force constant and m the exponent used to compute the
torsion angle restraints target function.

C. Three-bond HN-HA coupling constant restraints.
The value of the coupling constant is given by the first number, and the
second number has no meaning.

D. Ca and Cb carbon chemical shift restraints: the Ca shift is given 
by the first number and the Cb one by the second.


A. interproton distance restraints

(a) within protein
assign (resid  4 and name HD# )(resid 4  and name HB# ) 5.5  5.8 0.5
assign (resid  4 and name HG# )(resid 4  and name HA ) 2.8  1.1 0.5
assign (resid  5 and name HA )(resid 5  and name HG1#) 2.8  1.7 1.5
assign (resid 5 and name HA) (resid 5 and name HG2#) 2.8 1.7 1.5
assign (resid 5 and name HB) (resid 5 and name HG1#) 2.8 1.7 1.5
assign (resid 5 and name HB) (resid 5 and name HG2#) 2.8 1.7 1.5
assign (resid  5 and name HB )(resid 5  and name HN ) 2.4  0.7 0.5
assign (resid  6 and name HA )(resid 6  and name HD# ) 4.5  3.8 0.5
assign (resid  6 and name HA )(resid 6  and name HE# ) 4.5  3.8 0.5
assign (resid  6 and name HB# )(resid 6  and name HN ) 2.4  1.3 0.5
assign (resid  6 and name HB# )(resid 6  and name HE# ) 5.5  5.8 0.5
assign (resid  6 and name HE# )(resid 6  and name HG# ) 4.5  4.8 0.5
assign (resid  6 and name HG# )(resid 6  and name HN ) 4.5 2.8 0.5 !*
assign (resid  8 and name HB# )(resid 8  and name HD# ) 2.8  3.1 0.5
assign (resid  9 and name HA )(resid 9  and name HG# ) 4.5  3.4 0.5
assign (resid  9 and name HG# )(resid 9  and name HN ) 3.5 1.8 0.5
assign (resid  10 and name HB# )(resid 10  and name HD2# ) 5.5  5.8 0.5
assign (resid  12 and name HB# )(resid 12  and name HN ) 4.5  3.4 0.5
assign (resid  13 and name HG1# )(resid 13  and name HA ) 4.5  3.4 0.5
assign (resid  13 and name HG1# )(resid 13  and name HN ) 4.5  3.8 0.5
assign (resid  13 and name HG2# )(resid 13  and name HA ) 4.5  3.9 1.0
assign (resid  14 and name HA )(resid 14  and name HG2#) 3.0  1.7 1.0
assign (resid 14 and name HA) (resid 14 and name HG1#) 3.0 1.7 1.0
assign (resid 14 and name HB) (resid 14 and name HG1#) 3.0 1.7 1.0
assign (resid 14 and name HB) (resid 14 and name HG2#) 3.0 1.7 1.0
assign (resid  14 and name HB )(resid 14  and name HN ) 2.4  0.7 0.5
assign (resid  15 and name HA )(resid 15  and name HD1 ) 5.5  3.8 0.5
assign (resid  15 and name HB# )(resid 15  and name HN ) 2.4  1.3 0.5
assign (resid  15 and name HB# )(resid 15  and name HD1 ) 5.5  4.8 0.5
assign (resid  15 and name HE1 )(resid 15  and name HA ) 5.5 3.8 0.5 !*
assign (resid  15 and name HE1 )(resid 15  and name HZ2 ) 3.0  1.3 0.5
assign (resid  16 and name HB# )(resid 16  and name HN ) 2.4  1.3 0.5
assign (resid  17 and name HB# )(resid 17  and name HN ) 2.4  1.3 0.5
assign (resid  17 and name HD# )(resid 17  and name HN ) 4.5  3.8 0.5
assign (resid  17 and name HD# )(resid 17  and name HB# ) 2.8  3.1 0.5
assign (resid  17 and name HG# )(resid 17  and name HN ) 3.0  2.3 0.5
assign (resid  18 and name HB# )(resid 18  and name HN ) 2.4  1.3 0.5
assign (resid  19 and name HB# )(resid 19  and name HN ) 4.5  3.4 0.5
assign (resid  19 and name HG# )(resid 19  and name HN ) 4.5 2.8 0.5 !*
assign (resid  19 and name HG# )(resid 19  and name HE2# ) 3.0  3.3 0.5
assign (resid  20 and name HB# )(resid 20  and name HN ) 2.4  1.3 0.5
assign (resid  20 and name HB# )(resid 20  and name HD# ) 4.5  4.8 0.5
assign (resid  20 and name HG# )(resid 20  and name HN ) 4.5  3.8 0.5
assign (resid  21 and name HB# )(resid 21  and name HN ) 2.4  1.3 0.5
assign (resid  22 and name HA )(resid 22  and name HD# ) 5.5  4.8 0.5
assign (resid  22 and name HA )(resid 22  and name HG# ) 4.5  3.4 0.5
assign (resid  22 and name HB# )(resid 22  and name HN ) 2.4  1.3 0.5
assign (resid  22 and name HB# )(resid 22  and name HD# ) 3.0  3.1 0.5
assign (resid  22 and name HD# )(resid 22  and name HN ) 4.5 2.8 0.5 !*
assign (resid  22 and name HE# )(resid 22  and name HB# ) 5.5  5.8 0.5
assign (resid  22 and name HE# )(resid 22  and name HG# ) 5.5  5.8 0.5
assign (resid  22 and name HG# )(resid 22  and name HN ) 4.5  3.8 0.5
assign (resid  23 and name HA )(resid 23  and name HE# ) 3.0  2.0 1.0
assign (resid  23 and name HB# )(resid 23  and name HN ) 2.4  1.3 0.5
assign (resid  23 and name HE# )(resid 23  and name HB# ) 5.5  6.3 1.0
assign (resid  23 and name HE# )(resid 23  and name HG# ) 5.5  6.3 1.0
assign (resid  25 and name HA )(resid 25  and name HG ) 5.5  3.8 0.5
assign (resid  25 and name HA )(resid 25  and name HD* ) 3.0  2.8 0.5
assign (resid  25 and name HB# )(resid 25  and name HN ) 2.4  1.3 0.5
assign (resid  25 and name HB# )(resid 25  and name HD* ) 3.0  3.8 0.5
assign (resid  26 and name HB# )(resid 26  and name HN ) 2.4  1.3 0.5
assign (resid  26 and name HG# )(resid 26  and name HA ) 2.8  1.7 0.5
assign (resid  26 and name HG# )(resid 26  and name HN ) 4.5 2.8 0.5 !*
assign (resid  27 and name HB# )(resid 27  and name HN ) 2.4  1.3 0.5
assign (resid  28 and name HA )(resid 28  and name HG# ) 2.8  1.7 1.0
assign (resid  28 and name HB# )(resid 28  and name HD# ) 5.5  5.8 0.5
assign (resid  29 and name HA )(resid 29  and name HG# ) 3.0  1.7 0.5
assign (resid  29 and name HB# )(resid 29  and name HN ) 2.4  1.3 0.5
assign (resid  29 and name HD# )(resid 29  and name HA ) 4.5  2.1 0.5
assign (resid  29 and name HD# )(resid 29  and name HB# ) 4.5  4.8 0.5
assign (resid  30 and name HA )(resid 30  and name HG# ) 5.5  4.4 0.5
assign (resid  30 and name HB# )(resid 30  and name HN ) 2.4  1.3 0.5
assign (resid  30 and name HE# )(resid 30  and name HB# ) 5.5  6.3 1.0
assign (resid  30 and name HG# )(resid 30  and name HN ) 2.4  1.7 0.5
assign (resid  31 and name HA )(resid 31  and name HD# ) 2.8 1.1 0.5
assign (resid  31 and name HD# )(resid 31  and name HB# ) 4.5  4.8 0.5
assign (resid  31 and name HG# )(resid 31  and name HA ) 2.2  1.1 0.5
assign (resid  33 and name HB# )(resid 33  and name HN ) 4.5  3.4 0.5
assign (resid  34 and name HA )(resid 34  and name HG# ) 2.2  1.1 0.5
assign (resid  34 and name HB# )(resid 34  and name HN ) 2.4  1.3 0.5
assign (resid  35 and name HA )(resid 35  and name HD# ) 5.5  5.3 0.5
assign (resid  35 and name HA )(resid 35  and name HG2# ) 5.5  4.9 1.0
assign (resid  35 and name HB )(resid 35  and name HD1# ) 5.5  5.3 1.0
assign (resid  35 and name HG2# )(resid 35  and name HN ) 2.4  2.2 1.0
assign (resid  36 and name HB# )(resid 36  and name HN ) 3.0  1.9 0.5
assign (resid  37 and name HD# )(resid 37  and name HA ) 5.5  4.8 0.5
assign (resid  37 and name HD# )(resid 37  and name HN ) 2.4  1.7 0.5
assign (resid  37 and name HD# )(resid 37  and name HB# ) 2.8  3.1 0.5
assign (resid  37 and name HG# )(resid 37  and name HA ) 5.5  4.4 0.5
assign (resid  37 and name HG# )(resid 37  and name HN ) 4.5  3.8 0.5
assign (resid  38 and name HA )(resid 38  and name HG# ) 5.5  4.4 0.5
assign (resid  38 and name HB# )(resid 38  and name HN ) 2.4  1.3 0.5
assign (resid  38 and name HG# )(resid 38  and name HN ) 4.5 2.8 0.5 !*
assign (resid  38 and name HG# )(resid 38  and name HE2# ) 5.5  5.8 0.5
assign (resid  39 and name HA )(resid 39  and name HD1# ) 4.5  5.5 1.0
assign (resid 39 and name HA) (resid 39 and name HD2#) 2.8 1.1 0.5
assign (resid  39 and name HG )(resid 39  and name HN ) 4.5 2.8 0.5 !*
assign (resid  39 and name HB# )(resid 39  and name HD2# ) 5.5  6.5 1.0
assign (resid  41 and name HA )(resid 41  and name HD# ) 2.8  3.1 0.5
assign (resid  41 and name HA )(resid 41  and name HE# ) 5.5  5.8 0.5
assign (resid  41 and name HB# )(resid 41  and name HN ) 2.4  1.3 0.5
assign (resid  41 and name HB# )(resid 41  and name HD# ) 5.5  6.8 0.5
assign (resid  42 and name HA )(resid 42  and name HG# ) 5.5  4.4 0.5
assign (resid  42 and name HB# )(resid 42  and name HN ) 2.4  1.3 0.5
assign (resid  42 and name HB# )(resid 42  and name HE2# ) 5.5  5.8 0.5
assign (resid  42 and name HG# )(resid 42  and name HN ) 4.5 2.8 0.5  !*
assign (resid  42 and name HG# )(resid 42  and name HE2# ) 3.0  3.3 0.5
assign (resid  42 and name HE2# )(resid 42  and name HA ) 5.5  4.8 0.5
assign (resid  43 and name HB# )(resid 43  and name HN ) 2.4  1.3 0.5
assign (resid  43 and name HB# )(resid 43  and name HZ2 ) 5.5  4.8 0.5
assign (resid  43 and name HD1 )(resid 43  and name HB# ) 5.5  4.8 0.5
assign (resid  43 and name HE1 )(resid 43  and name HB# ) 4.5  3.8 0.5
assign (resid  43 and name HE1 )(resid 43  and name HH2 ) 4.5  2.8 0.5
assign (resid  43 and name HE1 )(resid 43  and name HZ2 ) 2.2  0.5 0.5
assign (resid  43 and name HE3 )(resid 43  and name HB# ) 5.5  4.8 0.5
assign (resid  43 and name HZ2 )(resid 43  and name HZ3 ) 4.5  2.8 0.5
assign (resid  44 and name HA )(resid 44  and name HD# ) 5.5  4.8 0.5
assign (resid  44 and name HA )(resid 44  and name HG# ) 5.5  4.4 0.5
assign (resid  44 and name HB# )(resid 44  and name HN ) 2.4  1.3 0.5
assign (resid  44 and name HB# )(resid 44  and name HD# ) 5.5  5.8 0.5
assign (resid  44 and name HD# )(resid 44  and name HN ) 2.4  1.7 0.5
assign (resid  44 and name HE# )(resid 44  and name HB# ) 5.5  5.8 0.5
assign (resid  44 and name HE# )(resid 44  and name HG# ) 3.0  3.1 0.5
assign (resid  44 and name HG# )(resid 44  and name HN ) 4.5  3.8 0.5
assign (resid  45 and name HA )(resid 45  and name HE# ) 5.5  5.3 1.0
assign (resid  45 and name HA )(resid 45  and name HG# ) 5.5  4.4 0.5
assign (resid  45 and name HB# )(resid 45  and name HN ) 2.4  1.3 0.5
assign (resid  45 and name HE# )(resid 45  and name HB# ) 5.5  6.3 1.0
assign (resid  45 and name HE# )(resid 45  and name HG# ) 5.5  6.3 1.0
assign (resid  45 and name HG# )(resid 45  and name HN ) 4.5 2.8 0.5 !*
assign (resid  46 and name HA )(resid 46  and name HG ) 5.5  3.8 0.5
assign (resid  46 and name HA )(resid 46  and name HD1# ) 4.5  4.5 0.5
assign (resid 46 and name HA) (resid 46 and name HD2#) 2.8 1.1 1.0 
assign (resid  46 and name HG )(resid 46  and name HN ) 2.4  0.7 0.5 
assign (resid  46 and name HB# )(resid 46  and name HN ) 2.8  1.3 0.5
assign (resid  46 and name HB# )(resid 46  and name HD1# ) 5.5  6.5 1.5
assign (resid 46 and name HD1#) (resid 46 and name HN) 4.5 2.8 1.0
assign (resid 46 and name HD2#) (resid 46 and name HN) 2.8 1.3 1.0
assign (resid  47 and name HA )(resid 47  and name HG2# ) 3.0  2.2 0.5
assign (resid  48 and name HA )(resid 48  and name HG# ) 5.5  4.4 0.5
assign (resid  48 and name HB# )(resid 48  and name HN ) 2.4  1.3 0.5
assign (resid  48 and name HG# )(resid 48  and name HN ) 4.5  3.8 0.5
assign ( resid 50 and name HN) (resid 51 and name HN) 2.2 0.5 0.5
assign (resid  50 and name HB# )(resid 50  and name HN ) 2.4  1.3 0.5
assign (resid 51 and name HN) (resid 52 and name HN) 4.5 2.8 0.5
assign (resid  51 and name HB# )(resid 51  and name HN ) 2.4  1.3 0.5
assign (resid  51 and name HD# )(resid 51  and name HB# ) 2.8  3.1 0.5
assign (resid  52 and name HA )(resid 52  and name HD1 ) 4.5  2.8 0.5
assign (resid  52 and name HB# )(resid 52  and name HN ) 2.4  1.3 0.5
assign (resid  52 and name HB# )(resid 52  and name HD1 ) 4.5  3.8 0.5
assign (resid  52 and name HE1 )(resid 52  and name HA ) 5.5  3.8 0.5
assign (resid  52 and name HE1 )(resid 52  and name HB# ) 5.5  4.8 0.5
assign (resid  52 and name HE1 )(resid 52  and name HZ2 ) 2.2  0.5 0.5
assign (resid  52 and name HZ2 )(resid 52  and name HZ3 ) 4.5 2.8 0.5 !*
assign (resid  53 and name HB# )(resid 53  and name HD# ) 5.5  5.8 0.5
assign (resid  53 and name HG# )(resid 53  and name HA ) 4.5  3.4 0.5
assign (resid  54 and name HA )(resid 54  and name HD# ) 5.5  5.8 0.5
assign (resid  54 and name HB# )(resid 54  and name HN ) 3.0  1.9 0.5
assign (resid  54 and name HB# )(resid 54  and name HD# ) 4.5  5.8 0.5
assign (resid  55 and name HA )(resid 55  and name HD# ) 4.5  4.8 0.5
assign (resid  55 and name HB# )(resid 55  and name HN ) 2.8  1.3 0.5
assign (resid  55 and name HB# )(resid 55  and name HD# ) 5.5  5.8 0.5
assign (resid  56 and name HA )(resid 56  and name HG# ) 5.5  4.4 0.5
assign (resid  56 and name HB# )(resid 56  and name HN ) 2.8 1.1 0.5
assign (resid  56 and name HG# )(resid 56  and name HN ) 3.5  1.7 0.5
assign (resid  56 and name HG# )(resid 56  and name HE2# ) 4.5  4.8 0.5
assign (resid  57 and name HA )(resid 57  and name HG# ) 5.5  4.4 0.5
assign (resid  57 and name HB# )(resid 57  and name HN ) 2.4  1.3 0.5
assign (resid  57 and name HG# )(resid 57  and name HN ) 4.5  3.8 0.5
assign (resid  59 and name HA )(resid 59  and name HG# ) 5.5  4.4 0.5
assign (resid  59 and name HB# )(resid 59  and name HN ) 2.4  1.3 0.5
assign (resid  59 and name HB# )(resid 59  and name HE2# ) 5.5  5.8 0.5
assign (resid  59 and name HG# )(resid 59  and name HN ) 4.5  2.8 0.5 !*
assign (resid  59 and name HG# )(resid 59  and name HE2# ) 4.5  4.8 0.5
assign (resid  60 and name HA )(resid 60  and name HD# ) 5.5  4.8 0.5
assign (resid  60 and name HA )(resid 60  and name HG# ) 5.5  4.4 0.5
assign (resid  60 and name HB# )(resid 60  and name HN ) 2.4  1.3 0.5
assign (resid  60 and name HD# )(resid 60  and name HB# ) 3.0  3.1 0.5
assign (resid  60 and name HE# )(resid 60  and name HG# ) 5.5  5.8 0.5
assign (resid  60 and name HG# )(resid 60  and name HN ) 2.4  1.7 0.5
assign (resid  61 and name HA )(resid 61  and name HG ) 5.5  3.8 0.5
assign (resid  61 and name HA )(resid 61  and name HD* ) 3.0  2.8 0.5
assign (resid  61 and name HG )(resid 61  and name HN ) 4.5 2.8 0.5 !*
assign (resid  61 and name HB# )(resid 61  and name HN ) 2.4  1.3 0.5
assign (resid  61 and name HB# )(resid 61  and name HD* ) 5.5  6.5 0.5
assign (resid  62 and name HA )(resid 62  and name HG# ) 5.5  4.4 0.5
assign (resid  62 and name HB# )(resid 62  and name HN ) 2.4  1.3 0.5
assign (resid  62 and name HB# )(resid 62  and name HE2# ) 5.5  5.8 0.5
assign (resid  62 and name HG# )(resid 62  and name HN ) 4.5  3.8 0.5
assign (resid  62 and name HG# )(resid 62  and name HE2# ) 4.5  4.8 0.5
assign (resid  64 and name HA )(resid 64  and name HG# ) 5.5  4.4 0.5
assign (resid  64 and name HB# )(resid 64  and name HN ) 2.4  1.3 0.5
assign (resid  64 and name HE# )(resid 64  and name HB# ) 2.8  3.0 1.0
assign (resid  64 and name HG# )(resid 64  and name HN ) 3.0  2.3 0.5
assign (resid  65 and name HA )(resid 65  and name HE1 ) 5.5  3.8 0.5
assign (resid  65 and name HB# )(resid 65  and name HN ) 2.4  1.3 0.5
assign (resid  66 and name HA )(resid 66  and name HD# ) 5.5  3.8 0.5
assign (resid  66 and name HA )(resid 66  and name HG# ) 5.5  4.4 0.5
assign (resid  66 and name HB# )(resid 66  and name HN ) 2.4  1.3 0.5
assign (resid  66 and name HD# )(resid 66  and name HN ) 5.5 2.8 0.5 !*
assign (resid  66 and name HD# )(resid 66  and name HB# ) 5.5  5.8 0.5
assign (resid  67 and name HA )(resid 67  and name HG# ) 4.5  3.4 0.5
assign (resid  67 and name HB# )(resid 67  and name HN ) 2.4  1.3 0.5
assign (resid  67 and name HG# )(resid 67  and name HN ) 2.4  1.7 0.5
assign (resid  68 and name HA )(resid 68  and name HD# ) 5.5  4.8 0.5
assign (resid  68 and name HA )(resid 68  and name HG# ) 5.5  4.4 0.5
assign (resid  68 and name HB# )(resid 68  and name HN ) 2.4  1.3 0.5
assign (resid  68 and name HB# )(resid 68  and name HD# ) 5.5  5.8 0.5
assign (resid  68 and name HE# )(resid 68  and name HB# ) 5.5  5.8 0.5
assign (resid  68 and name HE# )(resid 68  and name HG# ) 5.5  5.8 0.5
assign (resid  68 and name HG# )(resid 68  and name HN ) 5.5  4.8 0.5
assign (resid  69 and name HA )(resid 69  and name HD# ) 4.5  4.8 0.5
assign (resid  69 and name HB# )(resid 69  and name HN ) 2.4  1.3 0.5
assign (resid  69 and name HB# )(resid 69  and name HD# ) 5.5  5.8 0.5
assign (resid  70 and name HA )(resid 70  and name HD# ) 5.5  4.8 0.5
assign (resid  70 and name HA )(resid 70  and name HG# ) 5.5  4.4 0.5
assign (resid  70 and name HB# )(resid 70  and name HD# ) 5.5  5.8 0.5
assign (resid  71 and name HB# )(resid 71  and name HN ) 5.5  4.4 0.5
assign (resid  71 and name HB# )(resid 71  and name HD2# ) 4.5  4.8 0.5
assign (resid  72 and name HA )(resid 72  and name HD# ) 4.5 2.8 0.5
assign (resid  72 and name HB# )(resid 72  and name HD# ) 4.5  2.8 0.5
assign (resid  73 and name HA )(resid 73  and name HD# ) 5.5  4.8 0.5
assign (resid  73 and name HA )(resid 73  and name HG# ) 5.5  4.4 0.5
assign (resid  73 and name HB# )(resid 73  and name HN ) 5.5  4.4 0.5
assign (resid  73 and name HD# )(resid 73  and name HB# ) 5.5  5.8 0.5
assign (resid  73 and name HE# )(resid 73  and name HA ) 5.5  4.8 0.5
assign (resid  73 and name HE# )(resid 73  and name HG# ) 4.5  4.8 0.5
assign (resid  74 and name HA )(resid 74  and name HD# ) 4.5  2.8 0.5 !*
assign (resid  74 and name HB# )(resid 74  and name HN ) 4.5  3.4 0.5
assign (resid  74 and name HB# )(resid 74  and name HD# ) 4.5  4.1 0.5
assign (resid  75 and name HA )(resid 75  and name HG# ) 5.5  4.4 0.5
assign (resid  75 and name HB# )(resid 75  and name HN ) 4.5  3.4 0.5
assign (resid  75 and name HD# )(resid 75  and name HA ) 5.5  4.8 0.5
assign (resid  75 and name HD# )(resid 75  and name HB# ) 5.5  5.8 0.5
assign (resid  75 and name HG# )(resid 75  and name HN ) 4.5  3.8 0.5
assign (resid  77 and name HB# )(resid 77  and name HN ) 2.4  1.3 0.5
assign (resid  77 and name HD# )(resid 77  and name HN ) 5.5  4.8 0.5
assign (resid  77 and name HD# )(resid 77  and name HB# ) 2.8  3.1 0.5
assign (resid  78 and name HB# )(resid 78  and name HN ) 2.4  1.3 0.5
assign (resid  78 and name HG# )(resid 78  and name HA ) 2.8  1.7 0.5
assign (resid  78 and name HG# )(resid 78  and name HN ) 3.0  2.3 0.5
assign (resid  65 and name HA )(resid 65  and name HE1 ) 5.5 3.8 0.5 !*!!
assign (resid  65 and name HB# )(resid 65  and name HE1 ) 5.5  6.8 0.5 !!
assign (resid  66 and name HA )(resid 66  and name HB# ) 5.5  4.8 0.5
assign (resid  4 and name HA )(resid 5  and name HN ) 2.4  0.7 0.5
assign (resid  4 and name HA )(resid 5  and name HG2#) 4.5  6.2 1.0
assign (resid  4 and name HG# )(resid 5  and name HN ) 4.5  3.8 0.5
assign (resid  5 and name HA )(resid 6  and name HN ) 2.8 1.1 0.5 !*
assign (resid  5 and name HA )(resid 6  and name HG# ) 4.5  3.8 0.5
assign (resid 5 and name HG1#) (resid 6 and name HN) 4.5 2.7 1.0
assign (resid 5 and name HG2#) (resid 6 and name HN) 4.5 2.8 1.0
assign (resid  5 and name HG1#)(resid 6  and name HG# ) 5.5  7.2 1.0
assign (resid 5 and name HG2#) (resid 6 and name HG#) 5.5 7.2 1.0
assign (resid 5 and name HG2#) (resid 6 and name HG#) 5.5 7.2 1.0
assign (resid  6 and name HA )(resid 7  and name HN ) 2.8  1.1 0.5 !*
assign (resid  6 and name HE# )(resid 7  and name HB# ) 5.5 2.8 0.5 !*
assign (resid  7 and name HA )(resid 8  and name HD# ) 4.5  3.8 0.5
assign (resid  8 and name HA )(resid 9  and name HN ) 2.4  0.7 0.5
assign (resid  8 and name HB# )(resid 9  and name HA ) 4.5 2.8 0.5 !*
assign (resid  8 and name HB# )(resid 9  and name HN ) 2.4  1.7 0.5
assign (resid  8 and name HB# )(resid 9  and name HG# ) 4.5  4.8 0.5
assign (resid  8 and name HG# )(resid 9  and name HN ) 4.5 2.8 0.5 !*
assign (resid  10 and name HB# )(resid 11  and name HN ) 2.4  1.7 0.5
assign (resid  10 and name HB# )(resid 11  and name HB# ) 4.5  5.3 0.5
assign (resid  11 and name HN )(resid 12  and name HN ) 4.5  2.8 0.5
assign (resid  12 and name HN )(resid 13  and name HN ) 2.4  0.7 0.5
assign (resid  12 and name HB# )(resid 13  and name HB ) 4.5 2.8 0.5 !*
assign (resid  12 and name HD#) (resid 13  and name HB ) 4.5  5.8 0.5
assign (resid  12 and name HD#) (resid 13  and name HN ) 4.5  5.8 0.5
assign (resid  12 and name HD#) (resid 13  and name HG2# ) 5.5  7.3 0.5
assign (resid 55 and name HE#) (resid 54  and name HE# ) 5.5  7.8 0.5
assign (resid  13 and name HB )(resid 14  and name HG1#) 5.5  6.2 1.0
assign (resid  13 and name HN )(resid 14  and name HN ) 3.0  1.3 0.5
assign (resid  13 and name HD1# )(resid 14  and name HN ) 4.5  4.3 1.0
assign (resid  13 and name HG1# )(resid 14  and name HN ) 4.5  2.8 1.0 !*
assign (resid 13 and name HG1#) (resid 14 and name HG2#) 6.5 7.2 1.0
assign (resid  13 and name HG2# )(resid 14  and name HA ) 4.5  4.3 1.0
assign (resid  13 and name HG2# )(resid 14  and name HG1#) 5.5  7.7 1.0
assign (resid 13 and name HG2#) (resid 14 and name HG2#) 5.5 7.7 1.0
assign (resid  14 and name HA )(resid 15  and name HN ) 4.5  3.8 0.5
assign (resid  14 and name HB )(resid 15  and name HN ) 3.0 1.3 0.5 !*
assign (resid  14 and name HN )(resid 15  and name HN ) 2.8 1.1 0.5 !*
assign (resid  14 and name HG2#)(resid 15  and name HA ) 4.5  5.2 1.0
assign (resid  14 and name HG2#)(resid 15  and name HN ) 4.5  5.2 1.0
assign (resid  14 and name HG1#)(resid 15  and name HE1 ) 4.5  5.2 1.0
assign (resid  15 and name HA )(resid 16  and name HN ) 4.5  2.8 0.5
assign (resid  15 and name HN )(resid 16  and name HN ) 3.0  1.3 0.5
assign (resid  16 and name HA )(resid 17  and name HN ) 3.0  1.3 0.5
assign (resid  16 and name HN )(resid 17  and name HN ) 3.0  1.3 0.5
assign (resid  16 and name HB# )(resid 17  and name HN ) 4.5  3.8 0.5
assign (resid  17 and name HA )(resid 18  and name HN ) 4.5  2.8 0.5
assign (resid  17 and name HN )(resid 18  and name HN ) 3.0  1.3 0.5
assign (resid  17 and name HB# )(resid 18  and name HN ) 2.8 1.1 0.5 !*
assign (resid  18 and name HA )(resid 19  and name HN ) 4.5  3.8 0.5
assign (resid  18 and name HN )(resid 19  and name HN ) 2.4  0.7 0.5
assign (resid  18 and name HB# )(resid 19  and name HN ) 3.0  2.3 0.5
assign (resid  19 and name HA )(resid 20  and name HN ) 4.5  2.8 0.5
assign (resid  19 and name HN )(resid 20  and name HN ) 2.4  0.7 0.5
assign (resid  19 and name HB# )(resid 20  and name HN ) 4.5  3.8 0.5
assign (resid  19 and name HB# )(resid 20  and name HB# ) 5.5  5.8 0.5
assign (resid  19 and name HG# )(resid 20  and name HN ) 4.5  3.8 0.5
assign (resid  19 and name HG# )(resid 20  and name HB# ) 5.5  5.8 0.5
assign (resid  20 and name HA )(resid 21  and name HN ) 4.5  2.8 0.5
assign (resid  20 and name HN )(resid 21  and name HN ) 2.4  0.7 0.5
assign (resid  20 and name HB# )(resid 21  and name HN ) 3.0  1.7 0.5
assign (resid  21 and name HN )(resid 22  and name HN ) 2.4  0.7 0.5
assign (resid  21 and name HB# )(resid 22  and name HA ) 4.5  4.8 0.5
assign (resid  21 and name HB# )(resid 22  and name HN ) 2.4  1.7 0.5
assign (resid  22 and name HA )(resid 23  and name HN ) 3.0  1.3 0.5
assign (resid  22 and name HN )(resid 23  and name HN ) 2.4  0.7 0.5
assign (resid  22 and name HB# )(resid 23  and name HN ) 2.8 1.1 0.5 !*
assign (resid  22 and name HB# )(resid 23  and name HE# ) 5.5  6.3 1.0
assign (resid  22 and name HE# )(resid 23  and name HG# ) 5.5  5.8 0.5
assign (resid  22 and name HG# )(resid 23  and name HN ) 4.5  3.8 0.5
assign (resid  22 and name HG# )(resid 23  and name HB# ) 4.5  5.8 0.5
assign (resid  23 and name HA )(resid 24  and name HA ) 4.5  3.8 0.5
assign (resid  23 and name HA )(resid 24  and name HB# ) 5.5  5.3 1.0
assign (resid  23 and name HB# )(resid 24  and name HN ) 2.4  1.7 0.5
assign (resid  24 and name HA )(resid 25  and name HD* ) 4.5  6.2 1.5 !* 
assign (resid  24 and name HN )(resid 25  and name HN ) 2.4  0.7 0.5
assign (resid  24 and name HN )(resid 25  and name HD* ) 4.5 2.8 1.5 !*
assign (resid  24 and name HB# )(resid 25  and name HA ) 4.5  5.3 1.0
assign (resid  24 and name HB# )(resid 25  and name HD* ) 2.8 1.1 2.0 !*
assign (resid  25 and name HG )(resid 26  and name HB# ) 5.5 3.8 0.5 !*
assign (resid  25 and name HG )(resid 26  and name HG# ) 6.5  4.8 0.5
assign (resid  25 and name HD* )(resid 26  and name HB# ) 4.5  3.9 1.5 !*
assign (resid  26 and name HA )(resid 27  and name HN ) 3.0 1.3 0.5 !*
assign (resid  26 and name HG# )(resid 27  and name HB# ) 5.5  5.8 0.5
assign (resid  27 and name HA )(resid 28  and name HD# ) 4.5  4.8 0.5
assign (resid  27 and name HA )(resid 28  and name HG# ) 4.5  3.8 0.5
assign (resid  27 and name HN )(resid 28  and name HD# ) 3.0  2.3 0.5
assign (resid  28 and name HD# )(resid 29  and name HN ) 4.5  3.8 0.5
assign (resid  28 and name HG# )(resid 29  and name HB# ) 4.5 2.8 0.5 !*
assign (resid  29 and name HA )(resid 30  and name HN ) 2.4  0.7 0.5
assign (resid  29 and name HB# )(resid 30  and name HN ) 4.5  3.8 0.5
assign (resid  29 and name HB# )(resid 30  and name HB# ) 5.5  5.8 0.5
assign (resid  29 and name HB# )(resid 30  and name HG# ) 5.5  5.8 0.5
assign (resid  29 and name HG# )(resid 30  and name HN ) 4.5  3.8 0.5
assign (resid  30 and name HA )(resid 31  and name HN ) 3.0 1.3 0.5 !*
assign (resid  30 and name HA )(resid 31  and name HB# ) 4.5  4.8 0.5
assign (resid  30 and name HA )(resid 31  and name HG# ) 5.5  4.8 0.5
assign (resid  30 and name HN )(resid 31  and name HN ) 4.5  3.8 0.5
assign (resid  30 and name HB# )(resid 31  and name HN ) 3.0 1.1 0.5 !*
assign (resid  30 and name HE# )(resid 31  and name HB# ) 4.5 2.8 1.0 !*
assign (resid  30 and name HG# )(resid 31  and name HN ) 4.5 2.8 0.5 !*
assign (resid  30 and name HG# )(resid 31  and name HB# ) 6.5 3.8 0.5 !*
assign (resid  34 and name HA )(resid 35  and name HN ) 4.5  2.8 0.5
assign (resid  34 and name HN )(resid 35  and name HN ) 2.4  0.7 0.5
assign (resid  34 and name HG# )(resid 35  and name HG2# ) 4.5  5.3 1.0
assign (resid  35 and name HA )(resid 36  and name HN ) 4.5  2.8 0.5
assign (resid  35 and name HN )(resid 36  and name HA ) 5.5 3.8 0.5 !*
assign (resid  35 and name HN )(resid 36  and name HN ) 4.5  2.8 0.5
assign (resid  35 and name HD1# )(resid 36  and name HN ) 4.5  5.3 1.0
assign (resid  35 and name HG2# )(resid 36  and name HN ) 3.0  2.8 1.0
assign (resid  36 and name HN )(resid 37  and name HN ) 3.0  1.3 0.5
assign (resid  36 and name HN )(resid 37  and name HD# ) 4.5  3.8 0.5
assign (resid  36 and name HB# )(resid 37  and name HN ) 2.4  1.7 0.5
assign (resid  36 and name HB# )(resid 37  and name HB# ) 4.5  5.8 0.5
assign (resid  36 and name HB# )(resid 37  and name HD# ) 4.5  4.8 0.5
assign (resid  36 and name HB# )(resid 37  and name HG# ) 4.5  5.8 0.5
assign (resid  37 and name HA )(resid 38  and name HN ) 4.5  2.8 0.5
assign (resid  37 and name HN )(resid 38  and name HN ) 2.4  0.7 0.5
assign (resid  37 and name HN )(resid 38  and name HB# ) 4.5  3.8 0.5
assign (resid  37 and name HB# )(resid 38  and name HN ) 3.0 1.1 0.5 !*
assign (resid  37 and name HD# )(resid 38  and name HN ) 4.5 2.8 0.5 !*
assign (resid  38 and name HA )(resid 39  and name HN ) 3.0  1.3 0.5
assign (resid  38 and name HA )(resid 39  and name HB# ) 5.5  4.8 0.5
assign (resid  38 and name HN )(resid 39  and name HN ) 2.4  0.7 0.5
assign (resid  38 and name HB# )(resid 39  and name HN ) 3.0 1.3 0.5 !*
assign (resid  38 and name HB# )(resid 39  and name HD* ) 4.5  6.2 1.5
assign (resid  38 and name HG# )(resid 39  and name HB# ) 5.5  5.8 0.5
assign (resid  39 and name HN )(resid 40  and name HN ) 2.4  0.7 0.5
assign (resid  39 and name HN )(resid 40  and name HN ) 3.0  1.3 0.5
assign (resid  39 and name HB# )(resid 40  and name HA1 ) 4.5  5.8 0.5
assign (resid  39 and name HB# )(resid 40  and name HN ) 4.5  3.8 0.5
assign (resid  40 and name HA1 )(resid 41  and name HN ) 4.5  3.8 0.5
assign (resid  40 and name HA2 )(resid 41  and name HB# ) 5.5  5.8 0.5
assign (resid  41 and name HA )(resid 42  and name HN ) 4.5  2.8 0.5
assign (resid  41 and name HN )(resid 42  and name HN ) 2.4  0.7 0.5
assign (resid  41 and name HN )(resid 42  and name HG# ) 5.5  4.8 0.5
assign (resid  41 and name HB# )(resid 42  and name HN ) 2.4  1.7 0.5
assign (resid  41 and name HD# )(resid 42  and name HB# ) 4.5  6.8 0.5
assign (resid  41 and name HD# )(resid 42  and name HG# ) 4.5  6.8 0.5
assign (resid  42 and name HA )(resid 43  and name HN ) 4.5  3.8 0.5
assign (resid  42 and name HN )(resid 43  and name HN ) 3.0  1.3 0.5
assign (resid  42 and name HB# )(resid 43  and name HN ) 3.0  2.3 0.5
assign (resid  42 and name HB# )(resid 43  and name HD1 ) 5.5  3.8 0.5 !*
assign (resid  42 and name HB# )(resid 43  and name HE3 ) 4.5  4.8 0.5
assign (resid  42 and name HB# )(resid 43  and name HZ2 ) 4.5  3.8 0.5 !*
assign (resid  42 and name HB# )(resid 43  and name HZ3 ) 4.5  4.8 0.5
assign (resid  42 and name HG# )(resid 43  and name HA ) 5.5  3.8 0.5 !*
assign (resid  42 and name HG# )(resid 43  and name HN ) 4.5  3.8 0.5
assign (resid  42 and name HG# )(resid 43  and name HZ2 ) 5.5  3.8 0.5 !*
assign (resid  42 and name HE2# )(resid 43  and name HN ) 5.5  3.8 0.5 !*
assign (resid  43 and name HN )(resid 44  and name HN ) 2.4  0.7 0.5
assign (resid  43 and name HB# )(resid 44  and name HA ) 4.5  4.8 0.5
assign (resid  43 and name HB# )(resid 44  and name HN ) 2.4  1.7 0.5
assign (resid  43 and name HB# )(resid 44  and name HE# ) 3.0  3.1 0.5
assign (resid  43 and name HD1 )(resid 44  and name HN ) 5.5  2.8 0.5
assign (resid  43 and name HD1 )(resid 44  and name HE# ) 4.5  4.8 0.5
assign (resid  44 and name HA )(resid 45  and name HN ) 4.5  2.8 0.5
assign (resid  44 and name HA )(resid 45  and name HB# ) 5.5 3.8 0.5 !*
assign (resid  44 and name HA )(resid 45  and name HE# ) 5.5  5.3 0.5
assign (resid  44 and name HN )(resid 45  and name HN ) 2.4  0.7 0.5
assign (resid  44 and name HB# )(resid 45  and name HE# ) 4.5  6.3 1.0
assign (resid  44 and name HB# )(resid 45  and name HG# ) 4.5 2.8 0.5 !*
assign (resid  44 and name HD# )(resid 45  and name HN ) 4.5  3.8 0.5
assign (resid  44 and name HD# )(resid 45  and name HE# ) 5.5  6.3 1.0
assign (resid  44 and name HG# )(resid 45  and name HB# ) 5.5  5.8 0.5
assign (resid  45 and name HA )(resid 46  and name HN ) 4.5 2.8 0.5 !*
assign (resid  45 and name HB# )(resid 46  and name HG ) 5.5  4.8 0.5
assign (resid  45 and name HB# )(resid 46  and name HN ) 3.5  1.8 0.5
assign (resid  45 and name HB# )(resid 46  and name HD2# ) 5.5  7.2 1.0
assign (resid  45 and name HE# )(resid 46  and name HD1# ) 5.5  7.7 2.0
assign (resid  46 and name HN )(resid 47  and name HN ) 5.5  3.8 0.5
assign (resid  46 and name HB# )(resid 47  and name HA ) 4.5  4.8 0.5
assign (resid  46 and name HB# )(resid 47  and name HN ) 3.0  2.3 0.5
assign (resid  46 and name HB# )(resid 47  and name HG2# ) 4.5  6.3 1.0
assign (resid  47 and name HA )(resid 48  and name HN ) 2.4  0.7 0.5
assign (resid  47 and name HA )(resid 48  and name HB# ) 5.5  4.8 0.5
assign (resid  47 and name HB )(resid 48  and name HG# ) 5.5  4.8 0.5
assign (resid  47 and name HN )(resid 48  and name HG# ) 5.5 3.8 0.5 !*
assign (resid  48 and name HA )(resid 49  and name HN ) 4.5  2.8 0.5
assign (resid  48 and name HA )(resid 49  and name HB# ) 5.5  5.3 0.5
assign (resid  48 and name HN )(resid 49  and name HN ) 4.5  2.8 0.5
assign (resid  48 and name HB# )(resid 49  and name HN ) 3.0  1.7 0.5 !*
assign (resid  48 and name HB# )(resid 49  and name HB# ) 5.5  6.3 1.0
assign (resid  48 and name HG# )(resid 49  and name HN ) 4.5  3.8 0.5
assign (resid  49 and name HA )(resid 50  and name HB# ) 5.5  3.8 0.5 !*
assign (resid  49 and name HN )(resid 50  and name HN ) 2.4  0.7 0.5
assign (resid  49 and name HN )(resid 50  and name HG# ) 5.5  3.8 0.5 !*
assign (resid  49 and name HB# )(resid 50  and name HB# ) 2.8  3.6 1.0
assign (resid  49 and name HB# )(resid 50  and name HG# ) 4.5 2.8 1.0 !*
assign (resid  50 and name HN )(resid 51  and name HN ) 2.4  0.7 0.5
assign (resid  50 and name HB# )(resid 51  and name HN ) 4.5  3.8 0.5
assign (resid  51 and name HA )(resid 52  and name HN ) 3.0 1.3 0.5 !*
assign (resid  51 and name HN )(resid 52  and name HN ) 3.0 1.3 0.5 !*
assign (resid  51 and name HB# )(resid 52  and name HN ) 3.0  2.3 0.5
assign (resid  52 and name HN )(resid 53  and name HB# ) 5.5  4.8 0.5
assign (resid  52 and name HB# )(resid 53  and name HA ) 4.5  4.8 0.5
assign (resid  52 and name HB# )(resid 53  and name HD# ) 4.5  5.8 0.5
assign (resid  52 and name HD1 )(resid 53  and name HD# ) 4.5  3.8 0.5
assign (resid  53 and name HB# )(resid 54  and name HN ) 5.5  4.8 0.5
assign (resid  53 and name HG# )(resid 54  and name HA ) 5.5  4.8 0.5
assign (resid  53 and name HG# )(resid 54  and name HN ) 4.5  3.8 0.5
assign (resid  53 and name HG# )(resid 54  and name HB# ) 5.5  5.8 0.5
assign (resid  53 and name HG# )(resid 54  and name HE# ) 5.5  6.8 0.5
assign (resid  54 and name HA )(resid 55  and name HN ) 4.5  2.8 0.5
assign (resid  54 and name HN )(resid 55  and name HN ) 2.4  0.7 0.5
assign (resid  54 and name HB# )(resid 55  and name HN ) 3.5 1.8 0.5 !*
assign (resid  54 and name HB# )(resid 55  and name HB# ) 5.5  5.8 0.5
assign (resid  54 and name HD# )(resid 55  and name HN ) 4.5 2.8 0.5 !*
assign (resid  54 and name HD# )(resid 55  and name HB# ) 4.5  5.8 0.5
assign (resid  55 and name HA )(resid 56  and name HN ) 4.5  2.8 0.5
assign (resid  55 and name HN )(resid 56  and name HN ) 2.4  0.7 0.5
assign (resid  55 and name HN )(resid 56  and name HG# ) 5.5  5.3 1.0
assign (resid  55 and name HB# )(resid 56  and name HN ) 2.4  1.7 0.5
assign (resid  55 and name HB# )(resid 56  and name HG# ) 5.5  4.8 0.5
assign (resid  55 and name HB# )(resid 56  and name HE2# ) 5.5  5.8 0.5
assign (resid  56 and name HA )(resid 57  and name HN ) 3.0  1.3 0.5
assign (resid  56 and name HN )(resid 57  and name HN ) 2.4  0.7 0.5
assign (resid  56 and name HB# )(resid 57  and name HN ) 4.5  3.8 0.5
assign (resid  56 and name HB# )(resid 57  and name HG# ) 5.5  5.8 0.5
assign (resid  56 and name HG# )(resid 57  and name HN ) 4.5 2.8 0.5 !*
assign (resid  57 and name HN )(resid 58  and name HN ) 2.4  0.7 0.5
assign (resid  57 and name HB# )(resid 58  and name HN ) 2.4  1.7 0.5
assign (resid  57 and name HB# )(resid 58  and name HB# ) 4.5  3.6 1.0 !*
assign (resid  57 and name HG# )(resid 58  and name HN ) 4.5  3.8 0.5
assign (resid  58 and name HA )(resid 59  and name HN ) 3.0 1.3 0.5 !*
assign (resid  58 and name HN )(resid 59  and name HN ) 2.4  0.7 0.5
assign (resid  58 and name HB# )(resid 59  and name HN ) 2.4  2.2 1.0
assign (resid  58 and name HB# )(resid 59  and name HB# ) 5.5  6.3 1.0
assign (resid  58 and name HB# )(resid 59  and name HG# ) 4.5  6.3 1.0
assign (resid  59 and name HN )(resid 60  and name HN ) 2.4  0.7 0.5
assign (resid  59 and name HB# )(resid 60  and name HN ) 2.4  1.7 0.5
assign (resid  59 and name HG# )(resid 60  and name HN ) 5.5  4.8 0.5
assign (resid  60 and name HN )(resid 61  and name HN ) 2.4  0.7 0.5
assign (resid  60 and name HN )(resid 61  and name HD* ) 5.5  6.2 0.5
assign (resid  60 and name HB# )(resid 61  and name HD2# ) 4.5  7.2 0.5
assign (resid  60 and name HD# )(resid 61  and name HB# ) 5.5 2.8 0.5 !*
assign (resid  60 and name HD# )(resid 61  and name HD* ) 2.8  4.5 1.5
assign (resid  60 and name HE# )(resid 61  and name HD* ) 5.5  7.2 1.5
assign (resid  60 and name HG# )(resid 61  and name HB# ) 5.5  5.8 0.5
assign (resid  61 and name HA )(resid 62  and name HN ) 3.0 1.3 0.5 !*
assign (resid  61 and name HG )(resid 62  and name HN ) 4.5  2.8 0.5
assign (resid  61 and name HB# )(resid 62  and name HN ) 3.0  2.3 0.5
assign (resid  61 and name HB# )(resid 62  and name HG# ) 4.5  5.8 0.5
assign (resid  61 and name HD* )(resid 62  and name HN ) 3.0  3.7 1.5
assign (resid  62 and name HA )(resid 63  and name HN ) 3.0  1.3 0.5
assign (resid  62 and name HN )(resid 63  and name HN ) 2.4  0.7 0.5
assign (resid  62 and name HB# )(resid 63  and name HN ) 2.4  1.7 0.5
assign (resid  62 and name HG# )(resid 63  and name HN ) 4.5  3.8 0.5
assign (resid  63 and name HB# )(resid 64  and name HB# ) 5.5  6.3 1.0
assign (resid  63 and name HB# )(resid 64  and name HG# ) 4.5  6.3 1.0
assign (resid  64 and name HB# )(resid 65  and name HN ) 2.4  1.7 0.5
assign (resid  64 and name HG# )(resid 65  and name HE1 ) 5.5  3.8 0.5 !!
assign (resid  64 and name HG# )(resid 65  and name HB# ) 5.5  3.8 0.5 !!
assign (resid  65 and name HB# )(resid 66  and name HN ) 3.0  2.3 0.5
assign (resid  65 and name HB# )(resid 66  and name HB# ) 5.5  5.8 0.5
assign (resid  66 and name HA )(resid 67  and name HG# ) 5.5  4.8 0.5
assign (resid  66 and name HN )(resid 67  and name HN ) 2.4  0.7 0.5
assign (resid  66 and name HG# )(resid 67  and name HG# ) 5.5  5.8 0.5
assign (resid  67 and name HA )(resid 68  and name HN ) 3.0  1.3 0.5
assign (resid  67 and name HA )(resid 68  and name HB# ) 5.5  4.8 0.5
assign (resid  67 and name HA )(resid 68  and name HG# ) 5.5  4.8 0.5
assign (resid  67 and name HN )(resid 68  and name HN ) 2.4  0.7 0.5
assign (resid  67 and name HB# )(resid 68  and name HN ) 3.0 1.3 0.5 !*
assign (resid  67 and name HG# )(resid 68  and name HB# ) 5.5  5.8 0.5
assign (resid  68 and name HA )(resid 69  and name HN ) 3.0  1.3 0.5
assign (resid  68 and name HN )(resid 69  and name HE# ) 4.5  2.8 0.5
assign (resid  68 and name HN )(resid 69  and name HN ) 2.4  0.7 0.5
assign (resid  68 and name HB# )(resid 69  and name HN ) 3.0  1.7 0.5
assign (resid  69 and name HA )(resid 70  and name HD# ) 2.8  4.8 0.5
assign (resid  69 and name HE# )(resid 70  and name HD# ) 5.5  6.8 0.5
assign (resid  69 and name HE# )(resid 68  and name HB# ) 4.5  4.8 0.5 !!
assign (resid  69 and name HD# )(resid 68  and name HB# ) 4.5  3.8 0.5 !!
assign (resid  69 and name HE# )(resid 68  and name HD# ) 4.5  3.8 0.5 !!
assign (resid  69 and name HE# )(resid 68  and name HE# ) 5.5  4.8 0.5 !!
assign (resid  70 and name HB# )(resid 71  and name HN ) 5.5  4.8 0.5
assign (resid  70 and name HD# )(resid 71  and name HA ) 5.5  4.8 0.5
assign (resid  71 and name HA )(resid 72  and name HN ) 4.5  2.8 0.5
assign (resid  71 and name HA )(resid 72  and name HB# ) 4.5  4.8 0.5
assign (resid  72 and name HA )(resid 73  and name HN ) 2.8 1.1 0.5 !*
assign (resid  72 and name HB# )(resid 73  and name HB# ) 5.5 3.8 0.5 !!
assign (resid  72 and name HD# )(resid 73  and name HN ) 5.5  4.8 0.5
assign (resid  73 and name HA )(resid 74  and name HN ) 3.0 1.3 0.5
assign (resid  73 and name HB# )(resid 74  and name HN ) 4.5  3.8 0.5
assign (resid  73 and name HG# )(resid 74  and name HN ) 5.5  4.8 0.5
assign (resid  73 and name HG# )(resid 74  and name HA ) 5.5  4.8 0.5
assign (resid  74 and name HA )(resid 75  and name HN ) 3.0 1.3 0.5 !*
assign (resid  74 and name HB# )(resid 75  and name HN ) 4.5  3.8 0.5
assign (resid  74 and name HB# )(resid 75  and name HA ) 4.5  3.8 0.5
assign (resid  74 and name HD# )(resid 75  and name HA ) 5.5  5.8 0.5
assign (resid  74 and name HD# )(resid 75  and name HN ) 3.0  3.3 0.5
assign (resid  75 and name HA )(resid 76  and name HD# ) 2.8  2.1 0.5
assign (resid  76 and name HA )(resid 77  and name HN ) 2.4  0.7 0.5
assign (resid  77 and name HA )(resid 78  and name HN ) 2.4  0.7 0.5
assign (resid  77 and name HN )(resid 78  and name HN ) 4.5  2.8 0.5
assign (resid  77 and name HB# )(resid 78  and name HN ) 2.4  1.7 0.5
assign (resid  77 and name HB# )(resid 78  and name HB# ) 5.5  5.8 0.5
assign (resid  9 and name HA )(resid 13  and name HG2# ) 2.8  2.6 1.0
assign (resid  9 and name HB# )(resid 14  and name HG1#) 4.5  7.2 1.0
assign (resid  10 and name HN )(resid 13  and name HD1# ) 4.5  4.3 1.0
assign (resid  10 and name HN )(resid 13  and name HG1# ) 4.5  4.8 0.5
assign (resid  10 and name HN )(resid 13  and name HG2# ) 4.5  5.3 1.0
assign (resid  11 and name HA )(resid 14  and name HB ) 4.5  2.8 0.5
assign (resid  11 and name HA )(resid 14  and name HN ) 4.5  2.8 0.5
assign (resid  11 and name HA )(resid 14  and name HG1#) 4.5  6.2 1.0
assign (resid  11 and name HB# )(resid 14  and name HB ) 4.5  4.3 1.0
assign (resid  11 and name HB# )(resid 14  and name HG1#) 5.5  7.7 1.0
assign (resid 11 and name HB#) (resid 14 and name HG2#) 5.5 7.7 1.0
assign (resid  11 and name HB# )(resid 15  and name HH2 ) 5.5  5.3 1.0
assign (resid  12 and name HA )(resid 15  and name HN ) 4.5  3.8 0.5
assign (resid  12 and name HB# )(resid 14  and name HB ) 5.5 3.8 0.5 !*
assign (resid  12 and name HB# )(resid 14  and name HG2#) 5.5  7.2 1.0
assign (resid  12 and name HD#) (resid 15  and name HZ3 ) 4.5  5.8 0.5
assign (resid  14 and name HA )(resid 17  and name HN ) 4.5  3.8 0.5
assign (resid  14 and name HA )(resid 17  and name HD# ) 4.5  3.8 0.5
assign (resid  14 and name HG2#)(resid 16  and name HB# ) 5.5  7.2 1.0
assign (resid  14 and name HG2#)(resid 17  and name HD# ) 5.5  7.2 1.0
assign (resid  14 and name HG1#)(resid 17  and name HG# ) 2.8  3.9 1.0
assign (resid  15 and name HA )(resid 18  and name HN ) 4.5  2.8 0.5
assign (resid  15 and name HE1 )(resid 19  and name HG# ) 5.5 3.8 0.5 !*
assign (resid  15 and name HE1 )(resid 19  and name HE2# ) 6.5  3.8 0.5 !*
assign (resid 16 and name HN) (resid 19 and name HN) 4.5 3.8 0.5
assign (resid  16 and name HB# )(resid 19  and name HN ) 5.5  4.8 0.5
assign (resid  16 and name HB# )(resid 20  and name HN ) 4.5  3.8 0.5
assign (resid  16 and name HB# )(resid 20  and name HD# ) 5.5  5.8 0.5
assign (resid  17 and name HA )(resid 21  and name HB# ) 5.5  4.8 0.5
assign (resid  17 and name HN )(resid 20  and name HB# ) 4.5 2.8 0.5 !*
assign (resid  18 and name HA )(resid 21  and name HN ) 4.5  2.8 0.5
assign (resid  18 and name HA )(resid 21  and name HB# ) 5.5  4.8 0.5
assign (resid  18 and name HA )(resid 22  and name HN ) 4.5  3.8 0.5
assign (resid  18 and name HB# )(resid 22  and name HN ) 5.5  4.8 0.5
assign (resid  19 and name HA )(resid 22  and name HN ) 3.0  1.3 0.5
assign (resid  19 and name HA )(resid 22  and name HB# ) 4.5  4.8 0.5
assign (resid  19 and name HA )(resid 22  and name HD# ) 4.5  3.8 0.5
assign (resid  19 and name HA )(resid 23  and name HN ) 4.5  3.8 0.5
assign (resid  19 and name HB# )(resid 21  and name HN ) 5.5  4.8 0.5
assign (resid  19 and name HG# )(resid 22  and name HN ) 5.5  4.8 0.5
assign (resid  19 and name HG# )(resid 22  and name HG# ) 5.5  5.8 0.5
assign (resid  19 and name HE2# )(resid 22  and name HN ) 5.5 3.8 0.5 !*
assign (resid  20 and name HA )(resid 23  and name HN ) 4.5  2.8 0.5
assign (resid  20 and name HA )(resid 24  and name HN ) 4.5  2.8 0.5
assign (resid  20 and name HA )(resid 35  and name HG2# ) 5.5  5.3 0.5
assign (resid  20 and name HA )(resid 39  and name HD2# ) 5.5  6.2 0.5
assign (resid  20 and name HN )(resid 22  and name HN ) 4.5  2.8 0.5
assign (resid  20 and name HB# )(resid 23  and name HB# ) 5.5  5.8 0.5
assign (resid  20 and name HB# )(resid 24  and name HN ) 4.5  3.8 0.5
assign (resid  20 and name HB# )(resid 39  and name HD1# ) 2.8  4.5 1.5
assign (resid  20 and name HG# )(resid 23  and name HB# ) 5.5  5.8 0.5
assign (resid  21 and name HA )(resid 23  and name HN ) 4.5  3.8 0.5
assign (resid  21 and name HA )(resid 24  and name HN ) 3.0  1.3 0.5
assign (resid  21 and name HA )(resid 24  and name HB# ) 2.8  2.6 1.0
assign (resid  21 and name HA )(resid 25  and name HD* ) 4.5  6.2 1.5
assign (resid  21 and name HD# )(resid 25  and name HD* ) 4.5  7.2 1.5
assign (resid  21 and name HG# )(resid 25  and name HB# ) 5.5 3.8 0.5 !*
assign (resid  21 and name HG# )(resid 25  and name HD* ) 4.5  6.2 1.5
assign (resid  22 and name HA )(resid 25  and name HG ) 4.5  2.8 0.5
assign (resid  22 and name HA )(resid 25  and name HN ) 3.0  1.3 0.5
assign (resid  22 and name HA )(resid 25  and name HB# ) 4.5  3.8 0.5
assign (resid  22 and name HA )(resid 25  and name HD* ) 4.5  6.2 1.5
assign (resid  22 and name HN )(resid 24  and name HN ) 4.5  3.8 0.5
assign (resid  22 and name HB# )(resid 25  and name HB# ) 5.5 2.8 0.5 !*
assign (resid  22 and name HE# )(resid 25  and name HB# ) 5.5  5.8 0.5
assign (resid  22 and name HG# )(resid 25  and name HB# ) 5.5  5.8 0.5
assign (resid  22 and name HG# )(resid 25  and name HD* ) 3.0  4.5 1.5
assign (resid  23 and name HA )(resid 25  and name HD* ) 5.5  6.2 1.5
assign (resid  23 and name HA )(resid 27  and name HD2# ) 5.5  2.8 0.5 !*
assign (resid  23 and name HN )(resid 25  and name HD* ) 5.5  6.2 1.5
assign (resid  23 and name HE# )(resid 25  and name HD* ) 5.5 3.8 2.0 !*
assign (resid  23 and name HE# )(resid 27  and name HB# ) 5.5  6.3 1.0
assign (resid  23 and name HG# )(resid 25  and name HD* ) 5.5  7.2 1.5
assign (resid  24 and name HB# )(resid 28  and name HB# ) 4.5  6.3 1.0
assign (resid  25 and name HG )(resid 28  and name HD# ) 5.5  4.8 0.5
assign (resid  25 and name HD* )(resid 28  and name HB# ) 5.5  7.2 1.5
assign (resid  26 and name HA )(resid 28  and name HD# ) 4.5  4.8 0.5
assign (resid  27 and name HB# )(resid 30  and name HA ) 4.5  4.8 0.5
assign (resid  27 and name HB# )(resid 30  and name HN ) 4.5  3.8 0.5 !*
assign (resid  27 and name HB# )(resid 30  and name HB# ) 5.5  5.8 0.5
assign (resid  27 and name HD2# )(resid 30  and name HB# ) 5.5 3.8 0.5 !*
assign (resid  28 and name HA )(resid 30  and name HN ) 4.5 2.8 0.5 !*
assign (resid  28 and name HA )(resid 30  and name HG# ) 5.5  4.8 0.5
assign (resid  29 and name HB# )(resid 31  and name HB# ) 6.5 3.8 0.5 !*
assign (resid  29 and name HD# )(resid 31  and name HD# ) 5.5 3.8 0.5 !*
assign (resid  30 and name HB# )(resid 34  and name HB# ) 5.5  5.8 0.5
assign (resid  30 and name HB# )(resid 35  and name HG2# ) 4.5  6.3 1.0
assign (resid  30 and name HG# )(resid 34  and name HG# ) 5.5  5.8 0.5
assign (resid 30 and name HG#) (resid 35 and name HG2#) 4.5 2.8 0.5
assign (resid  34 and name HN )(resid 36  and name HN ) 4.5  3.8 0.5
assign (resid  34 and name HB# )(resid 38  and name HG# ) 2.2  2.5 0.5
assign (resid  34 and name HG# )(resid 37  and name HB# ) 5.5  5.8 0.5
assign (resid  34 and name HG# )(resid 38  and name HB# ) 5.5  5.8 0.5
assign (resid  35 and name HA )(resid 38  and name HN ) 4.5  2.8 0.5
assign (resid  35 and name HA )(resid 38  and name HB# ) 4.5  3.8 0.5
assign (resid  35 and name HA )(resid 38  and name HG# ) 4.5  4.8 0.5
assign (resid  35 and name HA )(resid 39  and name HD1# ) 4.5  6.2 0.5
assign (resid  35 and name HD1# )(resid 39  and name HG ) 4.5  5.3 1.0
assign (resid  35 and name HG2# )(resid 39  and name HD2# ) 4.5 2.8 1.5
assign (resid  36 and name HA )(resid 39  and name HD1# ) 4.5  5.2 1.0
assign (resid  37 and name HA )(resid 39  and name HD1# ) 5.5  6.2 1.0
assign (resid  37 and name HD# )(resid 39  and name HN ) 5.5 3.8 0.5 !*
assign (resid  38 and name HA )(resid 41  and name HN ) 3.0  1.3 0.5
assign (resid  38 and name HA )(resid 41  and name HB# ) 2.8  2.1 0.5
assign (resid  38 and name HA )(resid 41  and name HD# ) 4.5  4.8 0.5
assign (resid  38 and name HN )(resid 41  and name HN ) 5.5  3.8 0.5
assign (resid  39 and name HA )(resid 41  and name HD# ) 4.5  4.8 0.5
assign (resid  39 and name HA )(resid 42  and name HN ) 4.5  2.8 0.5
assign (resid  39 and name HA )(resid 42  and name HE2# ) 5.5  4.8 0.5
assign (resid  39 and name HA )(resid 43  and name HB# ) 5.5  4.8 0.5
assign (resid  39 and name HA )(resid 43  and name HZ2 ) 4.5  3.8 0.5
assign (resid  39 and name HG )(resid 42  and name HE2# ) 5.5 3.8 0.5 !*
assign (resid  39 and name HG )(resid 43  and name HE1 ) 5.5  3.8 0.5 !*
assign (resid  39 and name HB# )(resid 43  and name HE1 ) 4.5  4.8 0.5
assign (resid  39 and name HB# )(resid 43  and name HE3 ) 5.5  4.8 0.5
assign (resid  39 and name HD1# )(resid 42  and name HG# ) 4.5  6.2 1.0
assign (resid  39 and name HD2# )(resid 42  and name HE2# ) 4.5 2.8 1.5 !*
assign (resid  39 and name HD2# )(resid 43  and name HB# ) 5.5  6.2 1.0
assign (resid  39 and name HD2# )(resid 43  and name HD1 ) 5.5  6.2 1.0
assign (resid  39 and name HD2# )(resid 43  and name HE1 ) 4.5  6.2 1.0
assign (resid  39 and name HD1# )(resid 43  and name HE3 ) 5.5  6.2 1.0
assign (resid  39 and name HD2# )(resid 43  and name HZ2 ) 4.5  6.2 1.0
assign (resid  39 and name HD2# )(resid 43  and name HZ3 ) 2.8  3.5 1.5
assign (resid  40 and name HA1 )(resid 43  and name HE1 ) 4.5  4.8 0.5
assign (resid  41 and name HA )(resid 44  and name HN ) 4.5  2.8 0.5
assign (resid  41 and name HA )(resid 44  and name HB# ) 4.5  4.8 0.5
assign (resid  41 and name HA )(resid 44  and name HD# ) 4.5  3.8 0.5
assign (resid  41 and name HN )(resid 44  and name HD# ) 4.5 2.8 0.5 !*
assign (resid  41 and name HB# )(resid 44  and name HE# ) 5.5  5.8 0.5
assign (resid  41 and name HB# )(resid 45  and name HE# ) 4.5 2.8 1.0
assign (resid  41 and name HD# )(resid 44  and name HE# ) 5.5  6.8 0.5
assign (resid  41 and name HE# )(resid 44  and name HB# ) 5.5  6.8 0.5
assign (resid  41 and name HE# )(resid 44  and name HD# ) 5.5  6.8 0.5
assign (resid  41 and name HE# )(resid 45  and name HB# ) 4.5  6.8 0.5
assign (resid  42 and name HA )(resid 45  and name HA ) 5.5  3.8 0.5 !*
assign (resid 42 and name HA) (resid 45 and name HB#) 4.5 3.8 0.5
assign (resid  42 and name HA )(resid 45  and name HN ) 3.0  1.3 0.5
assign (resid  42 and name HG# )(resid 45  and name HB# ) 4.5  4.8 0.5
assign (resid  42 and name HE2# )(resid 47  and name HB ) 3.5 1.8 0.5 !*
assign (resid 43 and name HB#) (resid 46 and name HG#) 4.5 2.8 0.5
assign (resid  43 and name HZ2 )(resid 46  and name HD2# ) 4.5  5.2 1.0
assign (resid  43 and name HZ3 )(resid 46  and name HB# ) 4.5 2.8 0.5 !*
assign (resid  43 and name HZ3 )(resid 46  and name HD1# ) 4.5  6.2 1.0
assign (resid  44 and name HA )(resid 46  and name HG ) 4.5  3.8 0.5
assign (resid  44 and name HE# )(resid 46  and name HD2# ) 6.5  7.2 1.0
assign (resid  45 and name HA )(resid 48  and name HG# ) 6.5 3.8 0.5 !*
assign (resid  45 and name HB# )(resid 47  and name HN ) 5.5 3.8 0.5 !*
assign (resid  45 and name HB# )(resid 48  and name HG# ) 6.5  5.8 0.5
assign (resid  46 and name HG )(resid 51  and name HD# ) 5.5 3.8 0.5 !*
assign (resid  46 and name HD2# )(resid 50  and name HB# ) 5.5  7.2 1.0
assign (resid  46 and name HD2# )(resid 50  and name HG# ) 5.5  7.2 1.0
assign (resid  46 and name HD2# )(resid 51  and name HN ) 5.5  6.2 1.0
assign (resid 46 and name HD2#) (resid 51 and name HB#) 5.5 3.8 1.0
assign (resid  47 and name HA )(resid 49  and name HN ) 4.5  2.8 0.5
assign (resid  47 and name HB )(resid 49  and name HB# ) 4.5  5.3 1.0
assign (resid  47 and name HN )(resid 50  and name HN ) 4.5  2.8 0.5
assign (resid  47 and name HG2# )(resid 49  and name HB# ) 3.5 2.8 1.0
assign (resid  47 and name HG2# )(resid 50  and name HB# ) 4.5  6.3 1.0
assign (resid  48 and name HA )(resid 50  and name HN ) 4.5  2.8 0.5
assign (resid  48 and name HA )(resid 51  and name HN ) 3.0  1.3 0.5
assign (resid  48 and name HA )(resid 52  and name HN ) 3.0 1.3 0.5 !*
assign (resid  48 and name HA )(resid 53  and name HD# ) 4.5 2.8 0.5 !*
assign (resid  48 and name HN )(resid 52  and name HN ) 6.5  3.8 0.5 !*
assign (resid  48 and name HG# )(resid 51  and name HB# ) 4.5 2.8 0.5 !*
assign (resid  49 and name HA )(resid 52  and name HB# ) 5.5  4.8 0.5
assign (resid  49 and name HB# )(resid 52  and name HB# ) 5.5 3.8 1.0 !*
assign (resid  50 and name HB# )(resid 53  and name HG# ) 5.5  5.8 0.5
assign (resid  50 and name HG# )(resid 54  and name HZ ) 5.5  3.8 0.5 !*
assign (resid 51 and name HA) (resid 54 and name HD#) 5.5 3.5 0.5
assign (resid  51 and name HN )(resid 53  and name HB# ) 5.5 3.8 0.5 !*
assign (resid  51 and name HB# )(resid 53  and name HG# ) 5.5  5.8 0.5
assign (resid  51 and name HB# )(resid 54  and name HZ ) 5.5  4.8 0.5
assign (resid  52 and name HA )(resid 54  and name HN ) 5.5  3.8 0.5
assign (resid 52 and name HD1) (resid 56 and name HE2#) 4.5 4.8 0.5
assign (resid  52 and name HE1 ) (resid 56 and name HE2#) 4.5  4.8 0.5 !*
assign (resid  52 and name HE1 )(resid 56  and name HA ) 5.5  3.8 0.5
assign (resid  52 and name HE1 )(resid 56  and name HG# ) 5.5  4.8 0.5
assign (resid  53 and name HA )(resid 56  and name HB# ) 5.5  4.8 0.5
assign (resid  53 and name HA )(resid 56  and name HG# ) 5.5  4.8 0.5
assign (resid  54 and name HA )(resid 55  and name HN ) 4.5  2.8 0.5
assign (resid  54 and name HA )(resid 57  and name HN ) 4.5  2.8 0.5
assign (resid  54 and name HN )(resid 56  and name HN ) 4.5  2.8 0.5
assign (resid  54 and name HN )(resid 56  and name HE2# ) 4.5  3.8 0.5
assign (resid  54 and name HB# )(resid 58  and name HB# ) 4.5  5.3 1.0
assign (resid  54 and name HD# )(resid 58  and name HB# ) 4.5  6.3 1.0
assign (resid  55 and name HA )(resid 58  and name HN ) 3.0  1.3 0.5
assign (resid 55 and name HA) (resid 57 and name HG#) 5.5 2.8 0.5
assign (resid  55 and name HA )(resid 58  and name HB# ) 4.5  5.3 0.5
assign (resid  56 and name HA )(resid 59  and name HB# ) 4.5  4.8 0.5
assign (resid  56 and name HA )(resid 59  and name HG# ) 4.5  4.8 0.5
assign (resid  56 and name HA )(resid 60  and name HN ) 5.5  2.8 0.5
assign (resid  57 and name HA )(resid 60  and name HB# ) 4.5  4.8 0.5
assign (resid  57 and name HA )(resid 60  and name HD# ) 5.5  4.8 0.5
assign (resid  57 and name HG# )(resid 60  and name HD# ) 5.5  5.8 0.5
assign (resid  57 and name HG# )(resid 60  and name HE# ) 5.5  5.8 0.5
assign (resid  57 and name HG# )(resid 61  and name HD* ) 5.5  7.2 1.5
assign (resid  58 and name HA )(resid 61  and name HD2# ) 3.5 2.8 1.0
assign (resid  58 and name HA) (resid 61 and name HD1#) 4.5 3.8 1.0
assign (resid  58 and name HN )(resid 61  and name HD* ) 3.0  3.7 1.5
assign (resid  58 and name HB# )(resid 61  and name HD* ) 2.2  4.4 2.0
assign (resid  58 and name HB# )(resid 62  and name HB# ) 5.5  6.3 1.0
assign (resid  60 and name HA )(resid 63  and name HB# ) 3.0  2.6 0.5
assign (resid  60 and name HB# )(resid 63  and name HB# ) 5.5  6.3 1.0
assign (resid  61 and name HB# )(resid 64  and name HE# ) 5.5  6.3 1.0
assign (resid  61 and name HD* )(resid 64  and name HB# ) 5.5  7.2 1.5
assign (resid  61 and name HD* )(resid 64  and name HE# ) 3.0  5.0 2.0
assign (resid  62 and name HA )(resid 65  and name HN ) 4.5 2.8 0.5 !*
assign (resid  62 and name HA )(resid 66  and name HN ) 5.5  3.8 0.5
assign (resid  62 and name HA )(resid 66  and name HB# ) 4.5  4.8 0.5
assign (resid  62 and name HA )(resid 66  and name HD# ) 5.5  4.8 0.5
assign (resid  62 and name HA )(resid 66  and name HG# ) 5.5  4.8 0.5
assign (resid  63 and name HA )(resid 67  and name HN ) 4.5 2.8 0.5 !*
assign (resid  64 and name HG# )(resid 67  and name HB# ) 5.5  5.8 0.5
assign (resid  64 and name HG# )(resid 67  and name HG# ) 5.5  5.8 0.5
assign (resid  65 and name HA )(resid 68  and name HN ) 3.0  1.3 0.5
assign (resid  65 and name HA )(resid 68  and name HB# ) 4.5  4.8 0.5
assign (resid  70 and name HB# )(resid 72  and name HN ) 5.5  4.8 0.5
assign (resid 64 and name HN) (resid 66 and name HN) 4.5 2.8 0.5 !*
assign (resid 60 and name HN) (resid 63 and name HN) 4.5 2.8 0.5 !*
assign (resid 35 and name HN) (resid 38 and name HN) 4.5 2.8 0.5 !*
assign (resid 33 and name HN) (resid 36 and name HN) 5.5 3.8 0.5 !*
assign (resid  5 and name HA )(resid 69  and name HD# ) 5.5 3.8 0.5 
assign (resid  5 and name HB )(resid 72  and name HD# ) 5.0  4.8 0.5 !*
assign (resid  5 and name HB )(resid 72  and name HE# ) 5.0  5.8 0.5 !*
assign (resid  5 and name HG2#)(resid 69  and name HE# ) 2.5 1.1 1.0 
assign (resid 5 and name HG1#) (resid 69 and name HE#) 3.5 2.2 1.0  
assign (resid  5 and name HG1#)(resid 69  and name HD# ) 3.5 2.2 1.0
assign (resid 5 and name HG2#) (resid 69 and name HD#) 3.5 2.2 1.0
assign (resid  5 and name HG1#)(resid 72  and name HD# ) 3.5 1.3 1.0
assign (resid 5 and name HG2#) (resid 72 and name HD#) 4.5 2.2 1.0
assign (resid  5 and name HG1#)(resid 72  and name HE# ) 4.5 2.2 1.0
assign (resid  5 and name HG2#)(resid 72  and name HE# ) 4.5 2.2 1.0
assign (resid  6 and name HE# )(resid 68  and name HD# ) 4.5 3.8 0.5 
assign (resid  6 and name HE# )(resid 68  and name HB# ) 5.5 3.8 0.5 
assign (resid  8 and name HA )(resid 61  and name HD* ) 5.5  6.2 1.5
assign (resid  8 and name HB# )(resid 61  and name HB# ) 4.5 3.8 0.5 !*
assign (resid  8 and name HB# )(resid 65  and name HB# ) 5.5  5.8 0.5
assign (resid  8 and name HD# )(resid 65  and name HB# ) 4.5  4.8 0.5
assign (resid  8 and name HD# )(resid 65  and name HE1 ) 4.5  4.8 0.5 !!
assign (resid  8 and name HG# )(resid 64  and name HG# ) 6.5  5.8 0.5
assign (resid  8 and name HG# )(resid 65  and name HB# ) 4.5  5.8 0.5
assign (resid  9 and name HA )(resid 61  and name HD* ) 5.5  6.2 1.5
assign (resid  9 and name HN )(resid 61  and name HD* ) 3.0  3.7 1.5
assign (resid 9 and name HG#) (resid 17 and name HG#) 5.5 3.8 0.5
assign (resid  11 and name HA )(resid 58  and name HB# ) 4.5  5.3 1.0
assign (resid  11 and name HB#) (resid 55 and name HE#) 4.5  6.3 1.0
assign (resid  11 and name HB# )(resid 54  and name HB# ) 5.5 3.8 1.0 !*
assign (resid  11 and name HB# )(resid 54  and name HD# ) 5.5  7.3 1.0
assign (resid 11 and name HB#) (resid 54 and name HE#) 4.5 3.8 1.0
assign (resid  11 and name HB# )(resid 55  and name HA ) 4.5 2.8 1.0
assign (resid  11 and name HB# )(resid 55  and name HN ) 5.5  4.3 1.0
assign (resid  11 and name HB# )(resid 55 and name HZ) 5.5  4.3 1.0
assign (resid  11 and name HB# )(resid 55 and name HD#) 5.5  7.3 1.0
assign (resid  11 and name HB# )(resid 58  and name HA ) 5.5  5.3 1.0
assign (resid  11 and name HB# )(resid 58  and name HN ) 5.5  5.3 1.0
assign (resid  11 and name HB# )(resid 58  and name HB# ) 3.0  4.1 1.0
assign (resid  12 and name HA )(resid 43  and name HE1 ) 5.5  3.8 0.5
assign (resid  12 and name HB# )(resid 43  and name HE1 ) 5.5  3.8 0.5 !*
assign (resid  12 and name HB# )(resid 43  and name HZ2 ) 5.5  3.8 0.5 !*
assign (resid  12 and name HZ) (resid 39  and name HD2#) 4.5  7.2 1.0
assign (resid  12  and name HE#) (resid 43  and name HE1 ) 4.5  4.8 0.5
assign (resid  12 and name HE#) (resid 43  and name HZ2 ) 5.5  5.8 0.5
assign (resid 55 and name HE#) (resid 54  and name HE# ) 5.5  7.8 0.5
assign (resid  14 and name HB )(resid 54  and name HD# ) 4.5  5.8 0.5
assign (resid  14 and name HG1#)(resid 50  and name HG# ) 5.5  7.2 1.0
assign (resid  14 and name HG1#)(resid 53  and name HG# ) 5.5  7.2 1.0
assign (resid  14 and name HG2#)(resid 54  and name HA ) 5.5  5.2 1.0 !*
assign (resid  14 and name HG2#)(resid 54  and name HZ ) 5.5  6.2 1.0
assign (resid  14 and name HG2#)(resid 54  and name HD# ) 3.0  4.9 1.0 !*
assign (resid  14 and name HG2#)(resid 54  and name HE# ) 5.5  8.2 1.0
assign (resid  14 and name HG2#)(resid 57  and name HB# ) 5.5  7.2 1.0
assign (resid  14 and name HG2#)(resid 57  and name HG# ) 5.5  7.2 1.0
assign (resid 14 and name HG1#) (resid 57 and name HG#) 5.5 7.2 1.0
assign (resid  14 and name HG2#)(resid 58  and name HN ) 4.5  5.2 1.0
assign (resid  14 and name HG1#)(resid 58  and name HB# ) 3.0  5.0 1.5
assign (resid 14 and name HG2#) (resid 58 and name HB#) 4.5 5.0 1.0
assign (resid  15 and name HD1 )(resid 50  and name HG# ) 4.5  3.8 0.5
assign (resid  15 and name HE1 )(resid 39  and name HD2# ) 5.5  6.2 1.0
assign (resid  15 and name HE1 )(resid 46  and name HD2# ) 4.5  5.2 1.0
assign (resid  15 and name HE1 )(resid 54  and name HD# ) 4.5  4.8 0.5 !*
assign (resid  15 and name HE1 ) (resid 55 and name HZ) 5.5  5.8 0.5
assign (resid 15  and name HE1 ) (resid 55 and name HE#) 5.5 4.8 0.5
assign (resid  15 and name HH2 )(resid 43  and name HA ) 4.5  3.8 0.5
assign (resid  15 and name HH2 )(resid 43  and name HH2 ) 5.5  3.8 0.5
assign (resid  15 and name HZ2 )(resid 46  and name HD2# ) 4.5  6.2 1.0
assign (resid  15 and name HZ2 )(resid 54  and name HZ ) 4.5 2.8 0.5 !*
assign (resid  15 and name HZ3 )(resid 43  and name HE1 ) 4.5 3.8 0.5 !*
assign (resid  15 and name HZ3 )(resid 43  and name HZ2 ) 4.5  3.8 0.5
assign (resid  15 and name HZ3 )(resid 43  and name HZ3 ) 4.5  3.8 0.5
assign (resid  19 and name HB# )(resid 39  and name HD1# ) 4.5  7.2 1.5
assign (resid  19 and name HB# )(resid 43  and name HH2 ) 5.5  4.8 0.5
assign (resid  19 and name HG# )(resid 39  and name HD1# ) 4.5  6.2 1.5
assign (resid  19 and name HG# )(resid 42  and name HG# ) 4.5  4.8 0.5
assign (resid  19 and name HG# )(resid 43  and name HZ3 ) 5.5  3.8 0.5 !*
assign (resid  19 and name HE2# )(resid 43  and name HH2 ) 4.5  3.8 0.5
assign (resid  20 and name HG# )(resid 35  and name HG2# ) 5.5  6.3 1.0
assign (resid  21 and name HD# )(resid 28  and name HD# ) 6.5  5.8 0.5
assign (resid  22 and name HE# )(resid 35  and name HB ) 6.5  4.8 0.5
assign (resid  22 and name HE# )(resid 39  and name HD1# ) 5.5  7.2 1.5
assign (resid  23 and name HB# )(resid 30  and name HG# ) 4.5 2.8 0.5 !*
assign (resid  23 and name HE# )(resid 30  and name HA ) 5.5  5.3 1.0
assign (resid  23 and name HE# )(resid 34  and name HA ) 5.5  5.3 1.0
assign (resid  23 and name HE# )(resid 34  and name HB# ) 4.5  6.3 1.0
assign (resid  23 and name HE# )(resid 34  and name HG# ) 4.5  3.6 1.0
assign (resid  23 and name HE# )(resid 35  and name HA ) 4.5  5.3 1.0
assign (resid  23 and name HE# )(resid 35  and name HN ) 4.5  4.3 1.0
assign (resid  23 and name HE# )(resid 35  and name HD1# ) 5.5  6.8 1.5
assign (resid  23 and name HE# )(resid 38  and name HB# ) 5.5  6.3 1.0
assign (resid  23 and name HE# )(resid 38  and name HG# ) 3.0  3.6 1.0
assign (resid  23 and name HG# )(resid 28  and name HA ) 5.5 3.8 0.5 !*
assign (resid  23 and name HG# )(resid 28  and name HD# ) 5.5  5.8 0.5
assign (resid  23 and name HG# )(resid 30  and name HB# ) 4.5  5.8 0.5
assign (resid  23 and name HG# )(resid 34  and name HB# ) 5.5  5.8 0.5
assign (resid  23 and name HG# )(resid 35  and name HB ) 4.5  4.8 0.5
assign (resid  23 and name HG# )(resid 35  and name HN ) 4.5  3.8 0.5
assign (resid 23 and name HG#) (resid 35 and name HD#) 4.5 3.8 0.5
assign (resid  24 and name HA )(resid 35  and name HG2# ) 6.5  5.3 0.5
assign (resid  27 and name HB# )(resid 35  and name HG2# ) 5.5  5.3 1.0 !*
assign (resid  27 and name HD2# )(resid 34  and name HB# ) 5.5  5.8 0.5
assign (resid  43 and name HH2 )(resid 54  and name HZ ) 5.5 3.8 0.5 !*
assign (resid  43 and name HZ3 )(resid 50  and name HB# ) 5.5  4.8 0.5
assign (resid  46 and name HD1# )(resid 55 and name HZ) 5.5 3.8 1.0 !*
assign (resid  46 and name HD2# )(resid 55 and name HZ) 5.5  8.2 1.0
assign (resid  57 and name HB# )(resid 64  and name HE# ) 5.5 2.8 1.0 !*
assign (resid   11 and  name O    )(resid   15 and  name N    ) 2.8 0.4 1.0 !*
assign (resid   11 and  name O    )(resid   15 and  name HN   ) 1.8 0.3 1.0 !*
assign (resid   12 and  name O    )(resid   16 and  name N    ) 2.8 0.4 0.7
assign (resid   12 and  name O    )(resid   16 and  name HN   ) 1.8 0.3 0.7
assign (resid   13 and  name O    )(resid   17 and  name N    ) 2.8 0.4 0.7
assign (resid   13 and  name O    )(resid   17 and  name HN   ) 1.8 0.3 0.7
assign (resid   14 and  name O    )(resid   18 and  name N    ) 2.8 0.4 0.7
assign (resid   14 and  name O    )(resid   18 and  name HN   ) 1.8 0.3 0.7
assign (resid   15 and  name O    )(resid   19 and  name N    ) 2.8 0.4 0.7
assign (resid   15 and  name O    )(resid   19 and  name HN   ) 1.8 0.3 0.7
assign (resid   16 and  name O    )(resid   20 and  name N    ) 2.8 0.4 0.7
assign (resid   16 and  name O    )(resid   20 and  name HN   ) 1.8 0.3 0.7
assign (resid   17 and  name O    )(resid   21 and  name N    ) 2.8 0.4 0.7
assign (resid   17 and  name O    )(resid   21 and  name HN   ) 1.8 0.3 0.7
assign (resid   18 and  name O    )(resid   22 and  name N    ) 2.8 0.4 0.7
assign (resid   18 and  name O    )(resid   22 and  name HN   ) 1.8 0.3 0.7
assign (resid   19 and  name O    )(resid   23 and  name N    ) 2.8 0.4 0.8
assign (resid   19 and  name O    )(resid   23 and  name HN   ) 1.8 0.3 0.8
assign (resid   20 and  name O    )(resid   24 and  name N    ) 2.8 0.4 0.7
assign (resid   20 and  name O    )(resid   24 and  name HN   ) 1.8 0.3 0.7
assign (resid   21 and  name O    )(resid   25 and  name N    ) 2.8 0.4 0.7
assign (resid   21 and  name O    )(resid   25 and  name HN   ) 1.8 0.3 0.7
{assign (resid   33 and  name O    )(resid   37 and  name N    ) 2.8 0.4 0.7
assign (resid   33 and  name O    )(resid   37 and  name HN   ) 1.8 0.3 0.7}
assign (resid   34 and  name O    )(resid   38 and  name N    ) 2.8 0.4 0.7
assign (resid   34 and  name O    )(resid   38 and  name HN   ) 1.8 0.3 0.7
assign (resid   35 and  name O    )(resid   39 and  name N    ) 2.8 0.4 0.7
assign (resid   35 and  name O    )(resid   39 and  name HN   ) 1.8 0.3 0.7
assign (resid   36 and  name O    )(resid   40 and  name N    ) 2.8 0.4 0.7
assign (resid   36 and  name O    )(resid   40 and  name HN   ) 1.8 0.3 0.7
assign (resid   37 and  name O    )(resid   41 and  name N    ) 2.8 0.4 0.7
assign (resid   37 and  name O    )(resid   41 and  name HN   ) 1.8 0.3 0.7
assign (resid   38 and  name O    )(resid   42 and  name N    ) 2.8 0.4 0.7
assign (resid   38 and  name O    )(resid   42 and  name HN   ) 1.8 0.3 0.7
assign (resid   39 and  name O    )(resid   43 and  name N    ) 2.8 0.4 0.7
assign (resid   39 and  name O    )(resid   43 and  name HN   ) 1.8 0.3 0.7
assign (resid   40 and  name O    )(resid   44 and  name N    ) 2.8 0.4 0.7
assign (resid   40 and  name O    )(resid   44 and  name HN   ) 1.8 0.3 0.7
assign (resid   48 and  name O    )(resid   52 and  name N    ) 2.8 0.4 1.2 !*
assign (resid   48 and  name O    )(resid   52 and  name HN   ) 1.8 0.3 1.2 !*
assign (resid   50 and  name O    )(resid   54 and  name N    ) 2.8 0.4 1.2 !*
assign (resid   50 and  name O    )(resid   54 and  name HN   ) 1.8 0.3 1.2 !*
assign (resid   51 and  name O    )(resid   55 and  name N    ) 2.8 0.4 1.2 !*
assign (resid   51 and  name O    )(resid   55 and  name HN   ) 1.8 0.3 1.2 !*
assign (resid   52 and  name O    )(resid   56 and  name N    ) 2.8 0.4 1.2 !*
assign (resid   52 and  name O    )(resid   56 and  name HN   ) 1.8 0.3 1.2 !*
assign (resid   54 and  name O    )(resid   58 and  name N    ) 2.8 0.4 0.7
assign (resid   54 and  name O    )(resid   58 and  name HN   ) 1.8 0.3 0.7
assign (resid   55 and  name O    )(resid   59 and  name N    ) 2.8 0.4 0.7
assign (resid   55 and  name O    )(resid   59 and  name HN   ) 1.8 0.3 0.7
assign (resid   56 and  name O    )(resid   60 and  name N    ) 2.8 0.4 1.2 !*
assign (resid   56 and  name O    )(resid   60 and  name HN   ) 1.8 0.3 1.2 !*
assign (resid   57 and  name O    )(resid   61 and  name N    ) 2.8 0.4 0.7
assign (resid   57 and  name O    )(resid   61 and  name HN   ) 1.8 0.3 0.7
assign (resid   58 and  name O    )(resid   62 and  name N    ) 2.8 0.4 0.7
assign (resid   58 and  name O    )(resid   62 and  name HN   ) 1.8 0.3 0.7
assign (resid   59 and  name O    )(resid   63 and  name N    ) 2.8 0.4 0.7
assign (resid   59 and  name O    )(resid   63 and  name HN   ) 1.8 0.3 0.7
assign (resid   60 and  name O    )(resid   64 and  name N    ) 2.8 0.4 0.7
assign (resid   60 and  name O    )(resid   64 and  name HN   ) 1.8 0.3 0.7
assign (resid   61 and  name O    )(resid   65 and  name N    ) 2.8 0.4 0.7
assign (resid   61 and  name O    )(resid   65 and  name HN   ) 1.8 0.3 0.7
assign (resid   62 and  name O    )(resid   66 and  name N    ) 2.8 0.4 0.7
assign (resid   62 and  name O    )(resid   66 and  name HN   ) 1.8 0.3 0.7
assign (resid   63 and  name O    )(resid   67 and  name N    ) 2.8 0.4 0.7
assign (resid   63 and  name O    )(resid   67 and  name HN   ) 1.8 0.3 0.7
assign (resid   64 and  name O    )(resid   68 and  name N    ) 2.8 0.4 0.7
assign (resid   64 and  name O    )(resid   68 and  name HN   ) 1.8 0.3 0.7
assign (resid   66 and name O) (resid 69 and name HN) 1.8 0.3 0.7
assign  (resid   66 and name O) (resid 69 and name N) 2.8 0.3 0.7
assign (resid 69 and name O) (resid 72 and name N) 2.8 0.3 0.7
assign (resid 69 and name O) (resid 72 and name HN) 1.8 0.3 0.7

(b) within DNA

remarks gcacaaac MIS Hbonds

!****GC base pairs
!BP 1
assign (resid 201 and name n1) (resid 216 and name n3) 2.95 .2 .2
assign (resid 201 and name H1) (resid 216 and name n3) 1.95 0.2 0.2
assign (resid 201 and name o6) (resid 216 and name n4) 2.91 .2 .2
assign (resid 201 and name o6) (resid 216 and name HN') 1.91 .2 .2
assign (resid 201 and name n2) (resid 216 and name o2) 2.86 .2 .2
assign (resid 201 and name HN'') (resid 216 and name o2) 1.86 0.2 0.2
!BP 2
assign (resid 215 and name n1) (resid 202 and name n3) 2.95 .2 .2
assign (resid 215 and name h1) (resid 202 and name n3) 1.95 0.2 0.2
assign (resid 215 and name o6) (resid 202 and name n4) 2.91 .2 .2
assign (resid 215 and name o6) (resid 202 and name HN'') 1.91 .2 .2
assign (resid 215 and name n2) (resid 202 and name o2) 2.86 .2 .2
assign (resid 215 and name HN') (resid 202 and name o2) 1.86 0.2 0.2
!BP 4
assign (resid 213 and name n1) (resid 204 and name n3) 2.95 .2 .2
assign (resid 213 and name h1) (resid 204 and name n3) 1.95 0.2 0.2
assign (resid 213 and name o6) (resid 204 and name n4) 2.91 .2 .2
assign (resid 213 and name o6) (resid 204 and name HN'') 1.91 .2 .2
assign (resid 213 and name n2) (resid 204 and name o2) 2.86 .2 .2
assign (resid 213 and name HN') (resid 204 and name o2) 1.86 0.2 0.2
!BP 8
assign (resid 209 and name n1) (resid 208 and name n3) 2.95 .2 .2
assign (resid 209 and name h1) (resid 208 and name n3) 1.95 0.2 0.2
assign (resid 209 and name o6) (resid 208 and name n4) 2.91 .2 .2
assign (resid 209 and name o6) (resid 208 and name HN') 1.91 .2 .2
assign (resid 209 and name n2) (resid 208 and name o2) 2.86 .2 .2
assign (resid 209 and name HN'') (resid 208 and name o2) 1.86 0.2 0.2

!***AT base pairs
!BP 3
assign (resid 203 and name n1) (resid 214 and name n3) 2.82 .2 .2
assign (resid 203 and name n1) (resid 214 and name h3) 1.82 .2 .2
assign (resid 203 and name n6) (resid 214 and name o4) 2.95 .2 .2
assign (resid 203 and name HN'') (resid 214 and name o4) 1.95 0.2 0.2

!BP 5
assign (resid 205 and name n1) (resid 212 and name n3) 2.82 .2 .2 !*
assign (resid 205 and name n1) (resid 212 and name h3) 1.82 .2 .2 !*
assign (resid 205 and name n6) (resid 212 and name o4) 2.95 .2 .2 !*
assign (resid 205 and name HN'') (resid 212 and name o4) 1.95 0.2 0.2 !*
 
!BP 6
assign (resid 206 and name n1) (resid 211 and name n3) 2.82 .2 .2 !*
assign (resid 206 and name n1) (resid 211 and name h3) 1.82 .2 .2 !*
assign (resid 206 and name n6) (resid 211 and name o4) 2.95 .2 .2 !*
assign (resid 206 and name HN') (resid 211 and name o4) 1.95 0.2 0.2 !*

!BP 7
assign (resid 207 and name n1) (resid 210 and name n3) 2.82 .2 .2 !*
assign (resid 207 and name n1) (resid 210 and name h3) 1.82 .2 .2
assign (resid 207 and name n6) (resid 210 and name o4) 2.95 .2 .2
assign (resid 207 and name HN') (resid 210 and name o4) 1.95 0.2 0.2

!DNA NOEs

!g201
assign (resid 201 and name H2'') (resid 201 and name H5') 4.5 2.8 0.5	!#A 233  4.06e+05
assign (resid 201 and name H4') (resid 201 and name H5') 2.0 0.3 0.5	!#A 224  1.99e+06
assign (resid 201 and name H3') (resid 201 and name H5') 3.5 1.8 0.5	!#A 212  1.09e+06
assign (resid 201 and name H1') (resid 201 and name H3') 3.5 1.8 0.5	!#A 173  2.00e+05
assign (resid 201 and name H3') (resid 201 and name H2') 2.0 0.3 0.5	!#A 130  8.71e+05
assign (resid 201 and name H3') (resid 201 and name H2'') 2.5 0.7 0.5	!#A 129  6.48e+05
assign (resid 201 and name H1') (resid 201 and name H2') 3.0 1.3 0.5	!#A 86  3.23e+05
assign (resid 201 and name H2') (resid 202 and name H1') 4.5 2.8 0.5 !*	!#A 97  1.80e+05
assign (resid 201 and name H2') (resid 202 and name H5) 3.5 1.8 0.5	!#A 96  1.67e+05
assign (resid 201 and name H1') (resid 202 and name H6) 4.5 2.8 0.5	!#A 65  1.58e+05
assign (resid 201 and name H2') (resid 202 and name H6) 3.0 1.3 0.5	!#A 22  2.17e+05
assign (resid 201 and name H2'') (resid 202 and name H6) 3.0 1.3 0.5	!#A 21  2.24e+05
!185
assign (resid 201 and name H4') (resid 201 and name H2') 3.5 1.8 0.5    !#A 514  3.46e+05
assign (resid 201 and name H8) (resid 201 and name H2'') 3.5 1.8 0.5    !#A 175  1.02e+06
assign (resid 201 and name H8) (resid 201 and name H2') 3.0 1.3 0.5     !#A 174  1.30e+06
assign (resid 201 and name H1') (resid 201 and name H2'') 2.5 0.7 0.5   !#A 101  9.58e+05
assign (resid 201 and name H8) (resid 201 and name H1') 3.5 1.8 0.5     !#A 38  6.72e+05
assign (resid 201 and name H8) (resid 201 and name H3') 3.0 1.3 0.5     !#A 29  9.10e+05
assign (resid 201 and name H8) (resid 201 and name H4') 4.5 2.2 0.5     !#A 28  4.13e+05
assign (resid 201 and name H5') (resid 201 and name H2') 4.5 2.8 0.5
assign (resid 201 and name H5') (resid 201 and name H2'') 4.5 2.8 0.5
assign (resid 201 and name H1') (resid 202 and name H5) 4.5 2.8 0.5
assign (resid 201 and name H8) (resid 202 and name H6) 5.5 3.8 0.5
assign (resid 201 and name H3') (resid 201 and name H4') 2.5 0.8 0.5	!#A 209  1.20e+06

!c202
assign (resid 202 and name H3') (resid 202 and name H4') 2.5 0.8 0.5	!#A 210  8.27e+05
assign (resid 202 and name H1') (resid 202 and name H3') 3.5 1.5 0.5	!#A 1.8  2.37e+05
assign (resid 202 and name H1') (resid 202 and name H4') 3.0 1.3 0.5	!#A 167  3.59e+05
assign (resid 202 and name H3') (resid 202 and name H2'') 3.0 1.3 0.5	!#A 133  3.65e+05
assign (resid 202 and name H6) (resid 202 and name H5) 2.0 0.3 0.5	!#A 107  1.26e+06
assign (resid 202 and name H1') (resid 202 and name H2'') 2.5 0.7 0.5	!#A 95  5.22e+05
assign (resid 202 and name H1') (resid 202 and name H2') 3.0 1.3 0.5	!#A 94  3.34e+05
assign (resid 202 and name H6) (resid 202 and name H3') 3.0 1.3 0.5	!#A 50  2.78e+05
assign (resid 202 and name H6) (resid 202 and name H2') 2.5 0.7 0.5	!#A 24  5.91e+05
assign (resid 202 and name H6) (resid 202 and name H2'') 3.5 1.8 0.5	!#A 23  2.95e+05
assign (resid 202 and name H2'') (resid 203 and name H8) 3.5 1.8 0.5	!#A 3  1.21e+05
!185
assign (resid 202 and name H4') (resid 202 and name H2'') 3.5 1.8 0.5   !#A 513  3.66e+05
assign (resid 202 and name H3') (resid 202 and name H2') 2.5 0.7 0.5    !#A 305  7.26e+05
assign (resid 202 and name H5) (resid 202 and name H2') 4.5 1.3 0.5     !#A 111  8.72e+05
assign (resid 202 and name H6) (resid 202 and name H4') 4.5 2.8 0.5     !#A 40  3.28e+05
assign (resid 202 and name H2') (resid 203 and name H8) 4.5 2.0 1.5     !#A 157  1.64e+05
assign (resid 202 and name H2'') (resid 203 and name H8) 3.5 1.8 0.5    !#A 156  3.71e+05
assign (resid 202 and name H3') (resid 203 and name H8) 4.5 2.8 0.5     !#A 7  2.86e+05
assign (resid 202 and name H6) (resid 203 and name H8) 5.5 3.8 0.5

!a203
assign (resid 203 and name H3') (resid 203 and name H5'') 3.5 1.8 0.5	!#A 202  1.75e+05
assign (resid 203 and name H3') (resid 203 and name H5') 3.0 1.3 0.5	!#A 201  2.93e+05
assign (resid 203 and name H3') (resid 203 and name H4') 2.5 0.7 0.5	!#A 199  5.01e+05
assign (resid 203 and name H3') (resid 203 and name H1') 3.5 1.8 0.5	!#A 194  1.69e+05
assign (resid 203 and name H1') (resid 203 and name H4') 3.5 1.8 0.5	!#A 153  1.62e+05
assign (resid 203 and name H3') (resid 203 and name H2') 2.5 0.7 0.5	!#A 103  4.73e+05
assign (resid 203 and name H3') (resid 203 and name H2'') 3.0 1.3 0.5	!#A 1.8  3.00e+05
assign (resid 203 and name H1') (resid 203 and name H2') 3.5 1.8 0.5	!#A 74  1.88e+05
assign (resid 203 and name H1') (resid 203 and name H2'') 3.0 1.3 0.5	!#A 73  2.40e+05
assign (resid 203 and name H8) (resid 203 and name H1') 3.5 1.8 0.5	!#A 61  1.16e+05
assign (resid 203 and name H8) (resid 203 and name H3') 3.0 1.3 0.5	!#A 43  1.87e+05
assign (resid 203 and name H8) (resid 203 and name H2') 3.0 1.3 0.5	!#A 2  3.95e+05
assign (resid 203 and name H8) (resid 203 and name H2'') 3.5 1.8 0.5	!#A 1  2.22e+05
!185
assign (resid 203 and name H1') (resid 203 and name H3') 3.5 1.8 0.5    !#A 346  5.69e+05
assign (resid 203 and name H8) (resid 203 and name H4') 4.5 2.8 0.5     !#A 4  3.44e+05
assign (resid 203 and name H2'') (resid 204 and name H6) 3.5 1.8 0.5	!#A 116  1.38e+05
assign (resid 203 and name H8) (resid 204 and name H5) 3.5 1.8 0.5	!#A 60  1.94e+05
assign (resid 203 and name H3') (resid 204 and name H5) 3.5 1.8 0.5     !#A 347  3.16e+05
assign (resid 203 and name H3') (resid 204 and name H6) 3.5 1.8 0.5     !#A 285  2.17e+05
assign (resid 203 and name H2'') (resid 204 and name H6) 3.5 1.8 0.5    !#A 189  2.42e+05
assign (resid 203 and name H2') (resid 204 and name H5) 3.5 1.8 0.5     !#A 120  1.93e+05
assign (resid 203 and name H1') (resid 204 and name H6) 3.5 1.8 0.5     !#A 44  2.66e+05
assign (resid 203 and name H8) (resid 204 and name H6) 5.5 3.8 0.5

!c204
assign (resid 204 and name H3') (resid 204 and name H4') 2.5 0.8 0.5	!#A 205  1.30e+06
assign (resid 204 and name H1') (resid 204 and name H4') 3.0 1.3 0.5	!#A 196  2.65e+05
assign (resid 204 and name H3') (resid 204 and name H2') 3.0 1.3 0.5	!#A 136  2.05e+05
assign (resid 204 and name H6) (resid 204 and name H5) 2.0 0.3 0.5	!#A 108  8.81e+05
assign (resid 204 and name H3') (resid 204 and name H2'') 3.0 1.3 0.5	!#A 105  2.26e+05
assign (resid 204 and name H1') (resid 204 and name H2'') 3.0 1.3 0.5	!#A 99  2.64e+05
assign (resid 204 and name H6) (resid 204 and name H2'') 3.5 1.8 0.5	!#A 33  3.15e+05
assign (resid 204 and name H2'') (resid 205 and name H8) 3.5 1.8 0.5	!#A 5  1.72e+05
!185
assign (resid 204 and name H5) (resid 204 and name H3') 5.5 3.8 0.5     !#A 353  2.14e+05
assign (resid 204 and name H5) (resid 204 and name H1') 5.5 3.8 0.5     !#A 344  1.99e+05
assign (resid 204 and name H1') (resid 204 and name H3') 3.5 1.8 0.5    !#A 216  4.52e+05
assign (resid 204 and name H1') (resid 204 and name H2') 3.5 1.8 0.5    !#A 126  1.89e+05
assign (resid 204 and name H5) (resid 204 and name H2') 4.5 2.8 0.5 !*     !#A 110  2.78e+05
assign (resid 204 and name H6) (resid 204 and name H3') 2.5 0.7 0.5     !#A 57  6.91e+05
assign (resid 204 and name H6) (resid 204 and name H1') 3.5 1.8 0.5     !#A 50  3.82e+05
assign (resid 204 and name H3') (resid 205 and name H8) 3.5 1.8 0.5     !#A 11  1.70e+06
assign (resid 204 and name H1') (resid 205 and name H8) 4.5 2.8 0.5     !#A 10  4.22e+05
assign (resid 204 and name H6) (resid 205 and name H8) 5.5 3.8 0.5

!a205
assign (resid 205 and name H2'') (resid 205 and name H2') 3.0 1.3 0.5	!#A 230  2.84e+05
assign (resid 205 and name H1') (resid 205 and name H4') 3.5 1.8 0.5	!#A 1.8  1.97e+05
assign (resid 205 and name H3') (resid 205 and name H2') 3.5 1.8 0.5	!#A 1.8  1.81e+05
assign (resid 205 and name H3') (resid 205 and name H2'') 2.5 0.7 0.5	!#A 138  4.83e+05
assign (resid 205 and name H1') (resid 205 and name H2'') 3.0 1.3 0.5	!#A 85  3.63e+05
assign (resid 205 and name H1') (resid 205 and name H2') 3.0 1.3 0.5	!#A 77  3.09e+05
assign (resid 205 and name H2) (resid 205 and name H1') 4.5 2.8 0.5	!#A 64  1.99e+05
assign (resid 205 and name H8) (resid 205 and name H3') 4.5 2.8 0.5 !*	!#A 45  5.46e+05
assign (resid 205 and name H8) (resid 205 and name H2'') 3.5 1.8 0.5	!#A 6  1.50e+05
assign (resid 205 and name H8) (resid 205 and name H2') 3.5 1.8 0.5	!#A 4  1.97e+05
!185
assign (resid 205 and name H1') (resid 205 and name H3') 3.5 1.8 0.5    !#A 217  2.55e+05
assign (resid 205 and name H8) (resid 205 and name H4') 4.5 2.8 0.5 !*     !#A 15  5.34e+05
assign (resid 205 and name H8) (resid 205 and name H1') 3.5 1.8 0.5 !*    !#A 8  6.01e+05
assign (resid 205 and name H1') (resid 206 and name H5'') 5.5 3.8 0.5

!a206
assign (resid 206 and name H1') (resid 206 and name H3') 3.5 1.5 0.5	!#A 175  2.48e+05
assign (resid 206 and name H1') (resid 206 and name H4') 3.5 1.8 0.5	!#A 164  1.79e+05
assign (resid 206 and name H1') (resid 206 and name H5') 4.5 2.8 0.5	!#A 163  1.39e+05
assign (resid 206 and name H3') (resid 206 and name H2') 2.5 0.7 0.5	!#A 126  5.81e+05
assign (resid 206 and name H3') (resid 206 and name H2'') 3.0 1.3 0.5	!#A 123  3.11e+05
assign (resid 206 and name H1') (resid 206 and name H2'') 3.0 1.3 0.5	!#A 90  3.89e+05
assign (resid 206 and name H1') (resid 206 and name H2') 3.0 1.3 0.5	!#A 89  2.46e+05
assign (resid 206 and name H8) (resid 206 and name H1') 3.5 1.8 0.5	!#A 62  1.69e+05
assign (resid 206 and name H8) (resid 206 and name H3') 2.5 0.7 0.5	!#A 44  4.37e+05
assign (resid 206 and name H8) (resid 206 and name H2'') 4.5 2.8 0.5 !*	!#A 8  2.84e+05
assign (resid 206 and name H8) (resid 206 and name H2') 3.5 1.8 0.5	!#A 7  5.19e+05
!185
assign (resid 206 and name H3') (resid 206 and name H4') 2.5 0.7 0.5    !#A 384  1.49e+06
assign (resid 206 and name H2) (resid 206 and name H1') 5.5 3.8 0.5 !*     !#A 62  2.29e+05
assign (resid 206 and name H8) (resid 206 and name H4') 4.5 2.8 0.5 !*    !#A 13  4.73e+05
assign (resid 206 and name H2') (resid 207 and name H3') 4.5 2.8 0.5    !#A 303  4.64e+05
assign (resid 206 and name H2'') (resid 207 and name H8) 3.5 1.8 0.5    !#A 176  4.10e+05
assign (resid 206 and name H1') (resid 207 and name H8) 4.5 2.8 0.5 !*     !#A 37  5.41e+05
assign (resid 206 and name H8) (resid 207 and name H8) 5.5 3.8 0.5

!a207
assign (resid 207 and name H3') (resid 207 and name H5') 3.5 1.8 0.5	!#A 204  4.81e+05
assign (resid 207 and name H1') (resid 207 and name H3') 3.5 1.8 0.5	!#A 176  1.60e+05
assign (resid 207 and name H1') (resid 207 and name H5') 4.5 2.8 0.5	!#A 165  2.66e+05
assign (resid 207 and name H3') (resid 207 and name H2') 2.0 0.3 0.5	!#A 135  7.34e+05
assign (resid 207 and name H1') (resid 207 and name H2'') 2.5 0.7 0.5	!#A 91  4.38e+05
assign (resid 207 and name H8) (resid 207 and name H3') 3.5 1.8 0.5	!#A 48  1.49e+05
assign (resid 207 and name H8) (resid 207 and name H2') 3.5 1.8 0.5 !*	!#A 12  3.22e+05
assign (resid 207 and name H2') (resid 208 and name H5) 3.5 1.8 0.5	!#A 117  1.66e+05
assign (resid 207 and name H3') (resid 208 and name H6) 4.5 2.8 0.5	!#A 51  1.77e+05
!185
assign (resid 207 and name H2) (resid 207 and name H1') 5.5 3.8 0.5 !*     !#A 465  1.76e+05
assign (resid 207 and name H8) (resid 207 and name H2'') 4.5 2.8 0.5 !*    !#A 171  1.23e+06
assign (resid 207 and name H8) (resid 207 and name H1') 3.5 1.8 0.5     !#A 36  5.05e+05
assign (resid 207 and name H2) (resid 208 and name H1') 4.5 2.8 0.5     !#A 463  2.01e+05
assign (resid 207 and name H2'') (resid 208 and name H2') 5.5 3.8 0.5   !#A 433  2.63e+05
assign (resid 207 and name H3') (resid 208 and name H5) 3.5 1.8 0.5     !#A 352  1.91e+05
assign (resid 207 and name H2'') (resid 208 and name H6) 3.5 1.8 0.5 !*    !#A 194  5.02e+05
assign (resid 207 and name H1') (resid 208 and name H6) 4.5 2.8 0.5 !*     !#A 61  3.14e+05
assign (resid 207 and name H8) (resid 208 and name H5) 3.5 1.8 0.5      !#A 34  6.01e+05
assign (resid 207 and name H5') (resid 207 and name H2') 4.5 2.8 0.5
assign (resid 207 and name H5') (resid 207 and name H1') 4.5 2.8 0.5
assign (resid 207 and name H8) (resid 208 and name H6) 4.5 2.8 0.5

!c208
assign (resid 208 and name H1') (resid 208 and name H5') 4.5 2.8 0.5	!#A 195  4.16e+05
assign (resid 208 and name H1') (resid 208 and name H3') 3.5 1.8 0.5	!#A 171  1.36e+05
assign (resid 208 and name H3') (resid 208 and name H2') 3.5 1.8 0.5	!#A 151  1.68e+05
assign (resid 208 and name H3') (resid 208 and name H2'') 3.0 1.3 0.5	!#A 150  2.31e+05
assign (resid 208 and name H6) (resid 208 and name H5) 2.0 0.3 0.5	!#A 109  9.03e+05
assign (resid 208 and name H1') (resid 208 and name H2') 3.0 1.3 0.5	!#A 84  3.20e+05
assign (resid 208 and name H1') (resid 208 and name H2'') 2.5 0.7 0.5	!#A 83  6.81e+05
assign (resid 208 and name H6) (resid 208 and name H1') 3.5 1.8 0.5 !*	!#A 67  2.10e+05
assign (resid 208 and name H6) (resid 208 and name H3') 2.5 0.7 0.5	!#A 55  6.83e+05
assign (resid 208 and name H6) (resid 208 and name H2') 3.5 1.8 0.5	!#A 37  4.35e+05
assign (resid 208 and name H6) (resid 208 and name H2'') 4.5 2.8 0.5 !*	!#A 36  3.31e+05
!185
assign (resid 208 and name H3') (resid 208 and name H4') 3.5 1.8 0.5    !#A 398  2.89e+05
assign (resid 208 and name H5) (resid 208 and name H3') 4.5 2.8 0.5     !#A 367  5.66e+05
assign (resid 208 and name H1') (resid 208 and name H4') 3.5 1.8 0.5    !#A 225  2.82e+05
assign (resid 208 and name H5) (resid 208 and name H2') 5.5 3.8 0.5 !*     !#A 1.8  3.45e+05
assign (resid 208 and name H6) (resid 208 and name H4') 3.5 1.8 0.5     !#A 76  1.85e+05
assign (resid 208 and name H5') (resid 208 and name H2') 5.5 3.8 0.5 !*
assign (resid 208 and name H5') (resid 208 and name H2'') 4.5 2.8 0.5
assign (resid 208 and name H5') (resid 208 and name H3') 3.5 1.8 0.5

!g209
assign (resid 209 and name H3') (resid 209 and name H5') 4.5 2.8 0.5	!#A 213  6.46e+05
assign (resid 209 and name H1') (resid 209 and name H3') 3.5 1.8 0.5	!#A 174  1.88e+05
assign (resid 209 and name H1') (resid 209 and name H4') 3.5 1.8 0.5 !*	!#A 158  3.85e+05
assign (resid 209 and name H4') (resid 209 and name H2'') 3.5 1.8 0.5	!#A 145  3.15e+05
assign (resid 209 and name H3') (resid 209 and name H2') 2.5 0.8 0.5	!#A 125  1.00e+06
assign (resid 209 and name H2') (resid 210 and name H5#) 3.0 1.3 1.0	!#A 226  2.46e+05
assign (resid 209 and name H3') (resid 210 and name H5#) 4.5 2.8 1.0	!#A 104  1.82e+05
assign (resid 209 and name H1') (resid 210 and name H6) 4.5 2.8 0.5	!#A 68  2.08e+05
assign (resid 209 and name H2') (resid 210 and name H6) 2.5 0.7 0.5	!#A 25  4.61e+05
!185
assign (resid 209 and name H4') (resid 209 and name H2') 3.5 1.8 0.5    !#A 517  5.47e+05
assign (resid 209 and name H3') (resid 209 and name H4') 2.5 0.8 0.5    !#A 380  2.90e+06
assign (resid 209 and name H2'') (resid 209 and name H8) 4.5 2.8 0.5    !#A 173  1.12e+06
assign (resid 209 and name H1') (resid 209 and name H2'') 2.5 0.7 0.5   !#A 95  7.93e+05
assign (resid 209 and name H8) (resid 209 and name H4') 4.5 2.8 0.5 !*     !#A 23  4.45e+05
assign (resid 209 and name H8) (resid 209 and name H3') 4.5 2.8 0.5     !#A 21  8.62e+05
assign (resid 209 and name H8) (resid 209 and name H1') 3.5 1.8 0.5     !#A 17  7.90e+05
assign (resid 209 and name H2') (resid 210 and name H3') 4.5 2.8 0.5   !#A 300  4.38e+05
assign (resid 209 and name H2'') (resid 210 and name H6) 3.5 1.8 0.5 !*   !#A 188  5.40e+05
assign (resid 209 and name H8) (resid 210 and name H5#) 3.5 1.8 1.0     !#A 169  1.14e+06

!t210
assign (resid 210 and name H1') (resid 210 and name H5') 4.5 2.8 0.5	!#A 154  2.92e+05
assign (resid 210 and name H3') (resid 210 and name H5#) 3.5 1.8 1.0	!#A 141  1.96e+05
assign (resid 210 and name H3') (resid 210 and name H2'') 3.0 1.3 0.5	!#A 139  2.06e+05
assign (resid 210 and name H1') (resid 210 and name H2'') 3.0 1.3 0.5	!#A 79  2.98e+05
assign (resid 210 and name H1') (resid 210 and name H2') 3.0 1.3 0.5	!#A 78  2.22e+05
assign (resid 210 and name H6) (resid 210 and name H1') 3.5 1.8 0.5	!#A 70  1.50e+05
assign (resid 210 and name H6) (resid 210 and name H3') 2.5 0.7 0.5	!#A 58  4.50e+05
assign (resid 210 and name H6) (resid 210 and name H4') 4.5 2.8 0.5	!#A 57  2.08e+05
assign (resid 210 and name H6) (resid 210 and name H2'') 4.5 2.8 0.5 !*	!#A 38  2.02e+05
assign (resid 210 and name H6) (resid 210 and name H5#) 2.0 0.3 1.0	!#A 31  9.16e+05
assign (resid 210 and name H3') (resid 211 and name H5#) 3.0 1.3 1.0	!#A 140  2.39e+05
assign (resid 210 and name H6) (resid 211 and name H5#) 3.0 1.3 1.0	!#A 32  3.62e+05
assign (resid 210 and name H2') (resid 211 and name H6) 3.5 1.8 0.5	!#A 19  1.47e+05
!185
assign (resid 210 and name H1') (resid 210 and name H3') 3.5 1.8 0.5    !#A 229  3.08e+05
assign (resid 210 and name H6) (resid 210 and name H2') 3.5 1.8 0.5     !#A 184  5.05e+05
assign (resid 210 and name H2') (resid 211 and name H5#) 3.0 1.3 1.0    !#A 413  5.49e+05
assign (resid 210 and name H5#) (resid 211 and name H5#) 3.5 1.8 1.5    !#A 402  2.17e+06
assign (resid 210 and name H2') (resid 211 and name H6) 3.5 1.8 0.5     !#A 291  1.80e+05
assign (resid 210 and name H6) (resid 211 and name H5#) 3.5 1.8 1.0     !#A 1.8  1.21e+06
assign (resid 210 and name H1') (resid 211 and name H6) 4.5 2.8 0.5 !*     !#A 66  1.75e+05
assign (resid 210 and name H5#) (resid 211 and name H5#) 3.5 1.8 0.5     !#A 66  1.75e+05

!t211
assign (resid 211 and name H1') (resid 211 and name H2'') 3.0 1.3 0.5	!#A 76  2.22e+05
assign (resid 211 and name H1') (resid 211 and name H2') 3.0 1.3 0.5	!#A 75  2.04e+05
assign (resid 211 and name H6) (resid 211 and name H3') 2.5 0.7 0.5	!#A 59  5.45e+05
assign (resid 211 and name H6) (resid 211 and name H5#) 2.0 0.3 1.0	!#A 17  7.54e+05
assign (resid 211 and name H6) (resid 211 and name H2') 3.5 1.8 0.5	!#A 16  1.58e+05
assign (resid 211 and name H5#) (resid 212 and name H5#) 3.5 1.8 1.5	!#A 228  2.76e+06
assign (resid 211 and name H3') (resid 212 and name H5#) 3.0 1.3 1.0	!#A 137  3.25e+05
assign (resid 211 and name H6) (resid 212 and name H5#) 3.5 1.8 1.0	!#A 18  5.99e+05
!185
assign (resid 211 and name H1') (resid 211 and name H3') 3.5 1.8 0.5    !#A 360  2.47e+05
assign (resid 211 and name H6) (resid 211 and name H2'') 4.5 2.8 0.5 !*    !#A 203  2.91e+05
assign (resid 211 and name H3') (resid 211 and name H2') 3.5 1.8 0.5    !#A 1.8  2.15e+05
assign (resid 211 and name H3') (resid 211 and name H2'') 3.5 1.8 0.5   !#A 151  2.46e+05
assign (resid 211 and name H1') (resid 211 and name H5#) 4.5 2.8 1.0    !#A 81  1.85e+05
assign (resid 211 and name H6) (resid 211 and name H1') 3.5 1.8 0.5     !#A 65  2.66e+05
assign (resid 211 and name H6) (resid 211 and name H4') 3.5 1.8 0.5     !#A 53  4.37e+05
assign (resid 211 and name H2') (resid 212 and name H5#) 3.5 1.8 1.0    !#A 526  3.61e+05
assign (resid 211 and name H3') (resid 212 and name H5#) 2.5 0.7 1.0    !#A 307  1.08e+06
assign (resid 211 and name H6) (resid 212 and name H5#) 3.5 1.8 1.0     !#A 205  1.69e+06
assign (resid 211 and name H1') (resid 211 and name H5') 4.5 2.8 0.5     !#A 66  1.75e+05

!t212
assign (resid 212 and name H3') (resid 212 and name H2'') 3.0 1.3 0.5	!#A 1.8  2.75e+05
assign (resid 212 and name H1') (resid 212 and name H2'') 3.0 1.3 0.5	!#A 98  2.18e+05
assign (resid 212 and name H6) (resid 212 and name H1') 3.5 1.8 0.5	!#A 72  1.69e+05
assign (resid 212 and name H6) (resid 212 and name H3') 3.0 1.3 0.5	!#A 53  3.10e+05
assign (resid 212 and name H6) (resid 212 and name H5#) 2.5 0.7 1.0	!#A 29  5.64e+05
assign (resid 212 and name H6) (resid 212 and name H2'') 4.5 2.8 0.5 !*	!#A 28  2.74e+05
assign (resid 212 and name H3') (resid 213 and name H8) 3.5 1.8 0.5	!#A 47  1.42e+05
assign (resid 212 and name H2'') (resid 213 and name H8) 3.5 1.8 0.5	!#A 10  1.79e+05
!185
assign (resid 212 and name H5#) (resid 212 and name H2') 5.5 3.8 1.0 !*   !#A 414  6.06e+05
assign (resid 212 and name H1') (resid 212 and name H3') 3.5 1.8 0.5    !#A 362  3.71e+05
assign (resid 212 and name H1') (resid 212 and name H4') 3.5 1.8 0.5    !#A 245  2.04e+05
assign (resid 212 and name H6) (resid 212 and name H2') 3.5 1.8 0.5     !#A 199  3.81e+05
assign (resid 212 and name H1') (resid 212 and name H2') 3.5 1.8 0.5    !#A 117  2.09e+05
assign (resid 212 and name H2') (resid 213 and name H8) 3.5 1.8 0.5     !#A 166  2.43e+05
assign (resid 212 and name H1') (resid 213 and name H8) 4.5 2.8 0.5     !#A 19  3.83e+05
assign (resid 212 and name H1') (resid 212 and name H5') 4.5 2.8 0.5     !#A 19  3.83e+05
assign (resid 212 and name H6) (resid 213 and name H8) 4.5 2.8 0.5     !#A 19  3.83e+05

!g213
assign (resid 213 and name H3') (resid 213 and name H4') 3.0 1.3 0.5	!#A 206  2.44e+05
assign (resid 213 and name H1') (resid 213 and name H4') 3.0 1.3 0.5	!#A 197  2.02e+05
assign (resid 213 and name H3') (resid 213 and name H1') 3.5 1.8 0.5	!#A 178  1.19e+06
assign (resid 213 and name H3') (resid 213 and name H2') 3.0 1.3 0.5	!#A 124  3.76e+05
assign (resid 213 and name H1') (resid 213 and name H2'') 3.0 1.3 0.5	!#A 101  2.54e+05
assign (resid 213 and name H1') (resid 213 and name H2') 3.0 1.3 0.5	!#A 100  2.45e+05
assign (resid 213 and name H8) (resid 213 and name H2') 3.5 1.8 0.5	!#A 11  1.95e+05
assign (resid 213 and name H2') (resid 214 and name H5#) 3.5 1.8 1.0	!#A 241  1.52e+05
assign (resid 213 and name H8) (resid 214 and name H5#) 3.0 1.3 1.0	!#A 9  2.87e+05
!185
assign (resid 213 and name H1') (resid 213 and name H3') 3.5 1.8 0.5    !#A 232  4.65e+05
assign (resid 213 and name H8) (resid 213 and name H2') 3.5 1.8 0.5     !#A 164  3.26e+05
assign (resid 213 and name H8) (resid 213 and name H2'') 3.5 1.8 0.5    !#A 163  3.32e+05
assign (resid 213 and name H8) (resid 213 and name H3') 4.5 2.8 0.5     !#A 22  4.41e+05
assign (resid 213 and name H8) (resid 213 and name H1') 3.5 1.8 0.5     !#A 20  6.13e+05
assign (resid 213 and name H2'') (resid 214 and name H6) 4.5 2.0 1.5    !#A 198  1.46e+05
assign (resid 213 and name H1') (resid 214 and name H6) 3.5 1.8 0.5     !#A 68  2.82e+05
assign (resid 213 and name H1') (resid 213 and name H5') 4.5 2.8 0.5     !#A 19  3.83e+05
assign (resid 213 and name H8) (resid 214 and name H6) 5.5 3.8 0.5     !#A 19  3.83e+05

!t214
assign (resid 214 and name H1') (resid 214 and name H3') 3.5 1.8 0.5	!#A 177  1.44e+05
assign (resid 214 and name H1') (resid 214 and name H4') 3.0 1.3 0.5	!#A 166  3.11e+05
assign (resid 214 and name H3') (resid 214 and name H2'') 3.0 1.3 0.5	!#A 128  2.45e+05
assign (resid 214 and name H1') (resid 214 and name H2') 3.5 1.8 0.5	!#A 93  1.55e+05
assign (resid 214 and name H1') (resid 214 and name H2'') 3.0 1.3 0.5	!#A 92  2.69e+05
assign (resid 214 and name H6) (resid 214 and name H3') 3.0 1.3 0.5	!#A 52  2.18e+05
assign (resid 214 and name H6) (resid 214 and name H2'') 3.5 1.8 0.5	!#A 40  3.04e+05
assign (resid 214 and name H6) (resid 214 and name H2') 2.5 0.7 0.5	!#A 39  4.49e+05
assign (resid 214 and name H6) (resid 214 and name H5#) 2.5 0.7 1.0	!#A 30  6.74e+05
assign (resid 214 and name H1') (resid 215 and name H8) 4.5 2.8 0.5	!#A 63  1.36e+05
assign (resid 214 and name H2'') (resid 215 and name H8) 3.5 1.8 0.5	!#A 13  1.48e+05
!185
assign (resid 214 and name H5#) (resid 214 and name H2') 5.5 3.8 0.5 !*    !#A 406  2.48e+05
assign (resid 214 and name H3') (resid 214 and name H4') 2.5 0.7 0.5    !#A 383  1.10e+06
assign (resid 214 and name H6) (resid 214 and name H5#) 2.0 0.3 1.0     !#A 207  1.77e+06
assign (resid 214 and name H3') (resid 214 and name H2') 3.5 1.8 0.5    !#A 133  3.55e+05
assign (resid 214 and name H3') (resid 214 and name H5#) 4.5 2.8 1.0 !*   !#A 128  3.04e+05
assign (resid 214 and name H6) (resid 214 and name H4') 4.5 2.8 0.5     !#A 73  2.56e+05
assign (resid 214 and name H6) (resid 214 and name H1') 3.5 1.3 0.5     !#A 60  5.09e+05
assign (resid 214 and name H3') (resid 215 and name H8) 3.5 1.8 0.5     !#A 31  2.83e+05
assign (resid 214 and name H6) (resid 215 and name H8) 4.5 2.8 0.5     !#A 31  2.83e+05

!g215
assign (resid 215 and name H2'') (resid 215 and name H5') 4.5 2.8 0.5	!#A 234  7.40e+05
assign (resid 215 and name H3') (resid 215 and name H5') 3.5 1.8 0.5	!#A 203  2.79e+05
assign (resid 215 and name H3') (resid 215 and name H4') 2.5 0.7 0.5	!#A 200  6.37e+05
assign (resid 215 and name H3') (resid 215 and name H1') 3.5 1.8 0.5	!#A 193  1.46e+05
assign (resid 215 and name H1') (resid 215 and name H4') 3.5 1.8 0.5	!#A 156  1.40e+05
assign (resid 215 and name H1') (resid 215 and name H5') 4.5 2.8 0.5	!#A 155  4.95e+05
assign (resid 215 and name H4') (resid 215 and name H2') 3.5 1.8 0.5	!#A 146  2.05e+05
assign (resid 215 and name H3') (resid 215 and name H2') 3.0 1.3 0.5	!#A 127  3.83e+05
assign (resid 215 and name H3') (resid 215 and name H2'') 3.0 1.3 0.5	!#A 120  3.15e+05
assign (resid 215 and name H1') (resid 215 and name H2'') 3.0 1.3 0.5	!#A 82  2.77e+05
assign (resid 215 and name H1') (resid 215 and name H2') 3.0 1.3 0.5	!#A 81  2.59e+05
assign (resid 215 and name H8) (resid 215 and name H3') 3.5 1.8 0.5	!#A 49  1.65e+05
assign (resid 215 and name H8) (resid 215 and name H2'') 4.5 2.8 0.5	!#A 15  2.41e+05
assign (resid 215 and name H8) (resid 215 and name H2') 2.5 0.7 0.5	!#A 14  4.92e+05
assign (resid 215 and name H2'') (resid 216 and name H6) 3.0 1.3 0.5	!#A 115  3.21e+05
assign (resid 215 and name H1') (resid 216 and name H6) 4.5 2.8 0.5	!#A 69  3.04e+05
assign (resid 215 and name H2') (resid 216 and name H6) 3.5 1.8 0.5	!#A 26  1.44e+05
!185
assign (resid 215 and name H3') (resid 215 and name H2'') 3.0 1.3 0.5   !#A 538  4.89e+05
assign (resid 215 and name H8) (resid 215 and name H1') 3.5 1.8 0.5     !#A 39  7.18e+05
assign (resid 215 and name H3') (resid 216 and name H5) 4.5 2.8 0.5     !#A 348  1.82e+05
assign (resid 215 and name H2'') (resid 216 and name H5) 3.5 1.8 0.5    !#A 309  1.77e+05
assign (resid 215 and name H2') (resid 216 and name H5) 3.5 1.8 0.5     !#A 297  1.97e+05
assign (resid 215 and name H2'') (resid 216 and name H6) 3.5 1.8 0.5    !#A 190  3.27e+05
assign (resid 215 and name H8) (resid 216 and name H5) 3.5 1.8 0.5      !#A 33  4.72e+05
assign (resid 215 and name H8) (resid 216 and name H6) 4.5 2.8 0.5     !#A 31  2.83e+05

!c216
assign (resid 216 and name H1') (resid 216 and name H3') 3.5 1.8 0.5	!#A 157  2.23e+05
assign (resid 216 and name H5'') (resid 216 and name H2') 4.5 2.8 0.5	!#A 1.8  2.65e+05
assign (resid 216 and name H3') (resid 216 and name H2') 2.5 0.7 0.5	!#A 147  6.66e+05
assign (resid 216 and name H6) (resid 216 and name H5) 2.0 0.3 0.5	!#A 106  7.27e+05
assign (resid 216 and name H1') (resid 216 and name H2'') 2.0 0.3 0.5	!#A 80  1.00e+06
assign (resid 216 and name H6) (resid 216 and name H3') 3.0 1.3 0.5	!#A 56  2.73e+05
assign (resid 216 and name H6) (resid 216 and name H2') 2.5 0.7 0.5	!#A 27  5.86e+05
!185
assign (resid 216 and name H1') (resid 216 and name H4') 3.5 1.8 0.5    !#A 374  2.88e+05
assign (resid 216 and name H5) (resid 216 and name H3') 4.5 2.8 0.5     !#A 369  1.79e+05
assign (resid 216 and name H5) (resid 216 and name H2') 4.5 2.8 0.5 !*     !#A 124  3.40e+05
assign (resid 216 and name H1') (resid 216 and name H2') 2.5 0.8 0.5    !#A 89  2.15e+06
assign (resid 216 and name H6) (resid 216 and name H4') 4.5 2.8 0.5     !#A 54  1.78e+05
assign (resid 216 and name H6) (resid 216 and name H1') 3.5 2.8 0.5     !#A 46  8.34e+05


!DNA Exchange

!g201
assign (resid 201 and name HN'') (resid 201 and name H1) 2.0 0.5 1.0
assign (resid 201 and name HN'') (resid 215 and name HN') 4.5 2.8 0.5
assign (resid 201 and name HN'') (resid 215 and name H1) 4.5 2.8 0.5
assign (resid 201 and name H1) (resid 215 and name H1) 3.5 1.8 0.5
assign (resid 201 and name H1) (resid 202 and name HN'') 4.5 3.8 0.5

!c202
assign (resid 202 and name HN'') (resid 215 and name H1) 2.0 0.5 0.5	!#A 88  1.25e+05
assign (resid 202 and name HN'') (resid 216 and name HN') 3.5 1.8 0.5
assign (resid 202 and name HN'') (resid 214 and name H3) 4.5 3.8 0.5
assign (resid 202 and name HN'') (resid 203 and name HN'') 3.5 2.8 0.5

!a203
assign (resid 203 and name H2) (resid 213 and name H1) 3.0 0.5 2.0	!#A 67  3.20e+05
assign (resid 203 and name H2) (resid 214 and name H3) 2.5 0.5 0.5	!#A 66  2.59e+06
assign (resid 203 and name H2) (resid 215 and name H1) 3.0 0.5 2.0
assign (resid 203 and name HN'') (resid 214 and name H3) 2.0 0.5 0.5
assign (resid 203 and name HN'') (resid 215 and name H1) 4.5 3.8 0.5
assign (resid 203 and name HN'') (resid 213 and name H1) 4.5 3.8 0.5
assign (resid 203 and name HN'') (resid 215 and name HN') 4.5 3.8 0.5
assign (resid 203 and name HN'') (resid 204 and name HN'') 3.5 1.8 0.5

!c204
assign (resid 204 and name HN'') (resid 212 and name H3) 4.0 1.0 2.0	!#A 98  1.37e+05
assign (resid 204 and name HN'') (resid 213 and name H1) 2.0 0.5 0.5	!#A 89  1.23e+06
assign (resid 204 and name HN'') (resid 214 and name H3) 4.5 3.8 0.5
assign (resid 204 and name HN'') (resid 212 and name H3) 4.5 3.8 0.5
assign (resid 204 and name HN'') (resid 205 and name HN'') 3.5 1.8 0.5

!a205
assign (resid 205 and name H2) (resid 211 and name H3) 4.5 2.8 1.0
assign (resid 205 and name HN'') (resid 212 and name H3) 2.5 1.0 0.5
assign (resid 205 and name H2) (resid 212 and name H3) 2.5 0.5 0.5	!#A 63  2.44e+06
assign (resid 205 and name H2) (resid 213 and name H1) 3.0 0.5 2.0	!#A 70  4.57e+05
assign (resid 205 and name H2) (resid 206 and name H2) 5.5 3.8 0.5 !*
assign (resid 205 and name HN'') (resid 213 and name H1) 4.5 2.8 0.5
assign (resid 205 and name HN'') (resid 211 and name H3) 5.5 3.8 0.5 !*
assign (resid 205 and name HN'') (resid 206 and name HN') 3.5 1.8 0.5

!a206
assign (resid 206 and name HN') (resid 211 and name H3) 2.0 0.5 0.5	!#A 96  3.10e+05
assign (resid 206 and name H2) (resid 211 and name H3) 2.5 0.5 0.5	!#A 74  2.52e+06
assign (resid 206 and name H2) (resid 207 and name H2) 4.5 2.8 0.5
assign (resid 206 and name HN') (resid 212 and name H3) 3.5 1.8 0.5
assign (resid 206 and name HN') (resid 210 and name H3) 4.5 2.8 0.5
assign (resid 206 and name HN') (resid 207 and name HN') 3.5 1.8 0.5

!a207
assign (resid 207 and name H2) (resid 210 and name H3) 2.5 0.5 0.5 	!#A 65  9.10e+05
assign (resid 207 and name H2) (resid 211 and name H3) 4.5 2.8 0.5	!#A 64  4.67e+05
assign (resid 207 and name H2) (resid 209 and name H1) 4.5 2.8 0.5
assign (resid 207 and name H2) (resid 209 and name HN'') 4.5 2.8 0.5
assign (resid 207 and name HN') (resid 210 and name H3) 2.0 0.5 0.5
assign (resid 207 and name HN') (resid 211 and name H3) 4.5 2.8 0.5
assign (resid 207 and name HN') (resid 209 and name H1) 4.5 2.8 0.5
assign (resid 207 and name HN') (resid 208 and name HN') 3.5 1.8 0.5

!c208
assign (resid 208 and name HN') (resid 209 and name H1) 2.0 0.5 1.0
assign (resid 208 and name HN') (resid 210 and name H3) 4.5 2.8 0.5

!g209
assign (resid 209 and name HN'') (resid 209 and name H1) 2.0 0.5 1.0
assign (resid 209 and name HN'') (resid 210 and name H3) 4.5 2.8 0.5
assign (resid 209 and name H1) (resid 210 and name H3) 3.5 1.8 0.5

!t210
assign (resid 210 and name H3) (resid 211 and name H3) 3.5 1.8 0.5      !#A 52  1.90e+05

!t211
assign (resid 211 and name H3) (resid 212 and name H3) 4.5 2.8 0.5

!t212
assign (resid 212 and name H3) (resid 213 and name H1) 4.5 2.8 0.5	!#A 50  4.09e+05

!g213
assign (resid 213 and name H1) (resid 214 and name H3) 3.5 1.8 0.5	!#A 49  3.82e+05
assign (resid 213 and name HN') (resid 213 and name H1) 2.0 0.5 0.5
assign (resid 213 and name HN') (resid 214 and name H3) 4.5 2.8 0.5

!t214
assign (resid 214 and name H3) (resid 214 and name H5#) 4.5 2.8 0.5	!#A 58  2.47e+05
assign (resid 214 and name H3) (resid 215 and name H1) 4.5 2.8 0.5

!g215
assign (resid 215 and name HN') (resid 215 and name H1) 2.0 0.5 0.5
assign (resid 215 and name H1) (resid 216 and name HN') 3.5 1.8 0.5

!c216
assign (resid 216 and name HN') (resid 201 and name H1) 2.0 0.5 0.5

(c) between protein and DNA
! intermolecular noes

!M1

!Q2

!D3

!R4
assign (resid 4 and name HG#) (resid 203 and name H4') 4.5 3.8 0.5
assign (resid 4 and name HG#) (resid 203 and name H2'') 4.5 3.8 0.5

!V5

!K6

!R7
assign (resid 7 and name HG#) (resid 204 and name H4') 4.5 3.8 0.5 !*	!#A 135  -4.66e+05
assign (resid 7 and name HD#) (resid 204 and name H4') 4.5 3.8 0.5 !*	!#A 198  4.82e+05

!P8

!M9
assign (resid 9 and name HA) (resid 205 and name H2'') 5.5 3.8 0.5	!#A 121  -3.14e+05
assign (resid 9 and name HE#) (resid 206 and name H3') 4.5 2.8 0.5
assign (resid 9 and name HE#) (resid 206 and name H4') 2.8 1.1 1.0

!N10
assign (resid 10 and name HB#) (resid 214 and name H4') 5.5 2.8 0.5	!#A 81  4.49e+05
assign (resid 10 and name HB#) (resid 213 and name H4') 5.5 3.8 0.5 !*	!#A 79  4.09e+05
assign (resid 10 and name HB#) (resid 213 and name H2'') 5.5 3.8 0.5
assign (resid 10 and name HD2#) (resid 205 and name H2) 4.5 3.8 0.5
assign (resid 10 and name HD2#) (resid 205 and name H1') 5.5 3.8 0.5

!A11
assign (resid 11 and name HB#) (resid 213 and name H5'') 5.5 3.8 1.0	!#A 30  -2.84e+05
assign (resid 11 and name HB#) (resid 213 and name H4') 5.5 3.8 1.0	!#A 176  -3.72e+05

!F12
assign (resid 12 and name HB#) (resid 212 and name H1') 4.5 2.8 0.5	!#A 82  4.10e+05
assign (resid 12 and name HZ) (resid 211 and name H2') 4.0 2.2 2.0
assign (resid 12 and name HZ) (resid 206 and name H2) 4.0 2.2 2.0
assign (resid 12 and name HA) (resid 213 and name H5') 5.5 3.8 0.5
assign (resid 12 and name HD#)(resid 213 and name H1') 5.5 3.8 0.5

!I13
assign (resid 13 and name HD1#) (resid 205 and name H2) 2.8 1.1 1.0	!#A 2  -2.36e+06
assign (resid 13 and name HG2#) (resid 205 and name H2) 4.5 2.8 1.0	!#A 64  -4.71e+05
assign (resid 13 and name HG2#) (resid 205 and name H1') 5.5 2.8 1.0	!#A 62  -4.13e+05
assign (resid 13 and name HG2#) (resid 205 and name H2'') 5.5 2.8 1.0	!#A 186  -2.44e+05
assign (resid 13 and name HG1#) (resid 205 and name H2) 4.5 2.8 0.5	!#A 19  -4.90e+05
assign (resid 13 and name HD#) (resid 206 and name H2) 2.8 1.1 1.0	!#A 1  -2.37e+06
assign (resid 13 and name HG2#) (resid 206 and name H3') 5.5 3.8 1.0	!#A 60  -3.94e+05
assign (resid 13 and name HG2#) (resid 206 and name H2) 4.5 2.8 1.0	!#A 63  -5.51e+05
assign (resid 13 and name HG2#) (resid 206 and name H4') 4.5 2.8 1.0	!#A 59  -1.01e+06
assign (resid 13 and name HG2#) (resid 206 and name H1') 3.0 2.8 1.0	!#A 61  -5.05e+05
assign (resid 13 and name HG2#) (resid 206 and name H8) 5.5 3.8 1.0	!#A 52  -3.33e+05
assign (resid 13 and name HB) (resid 205 and name H2) 3.0 0.5 2.0
assign (resid 13 and name HB) (resid 205 and name H3') 6.5 3.8 0.5 !*
assign (resid  13 and name HD# )(resid 211  and name H3 ) 4.0 2.8 0.5
assign (resid  13 and name HD# )(resid 212  and name H3 ) 4.0 2.8 0.5
assign (resid  13 and name HG1# )(resid 212  and name H3 ) 5.5 3.8 0.5 !*

!V14

!W15

!S16

!R17
assign (resid 17 and name HA) (resid 206 and name H4') 5.5 3.8 1.0 !*	!#A 92  -6.55e+05
assign (resid 17 and name HA) (resid 207 and name H5') 4.5 2.8 0.5	!#A 93  -8.33e+05
assign (resid  17 and name HD# )(resid 206  and name H4' ) 4.5  3.8 0.5
assign (resid  17 and name HD# )(resid 206  and name H3' ) 5.5  3.8 0.5

!D18

!Q19

!R20
assign (resid 20 and name HG#) (resid 207 and name H4') 4.5 2.8 0.5	!#A 134  -4.51e+05
assign (resid 20 and name HB#) (resid 207 and name H1') 5.5 2.8 0.5

!R21

!K22

!M23

!A24
assign (resid 24 and name HB#) (resid 207 and name H4') 5.5 3.8 1.0
assign (resid 24 and name HB#) (resid 208 and name H1') 5.5 3.8 1.0 !*	!#A 150  -4.81e+05
assign (resid 24 and name HB#) (resid 208 and name H5') 3.5 1.1 1.0 !*	!#A 32  -1.76e+06
assign (resid 24 and name HB#) (resid 208 and name H4') 4.5 2.8 1.0	!#A 32  -1.76e+06

!L25

!E26

!N27

!P28

!R29

!M30

!R31

!N32

!S33
assign (resid 33 and name HB#) (resid 209 and name H1') 3.5 1.8 0.5
assign (resid 33 and name HB#) (resid 210 and name H1') 3.5 1.8 0.5

!E34

!I35
assign (resid 35 and name HD1#) (resid 208 and name H2'') 4.5 2.8 1.0	!#A 85  -4.96e+05
assign (resid 35 and name HD1#) (resid 208 and name H1') 4.5 2.8 1.0
assign (resid 35 and name HG2#) (resid 208 and name H1') 4.5 3.8 1.5 !*	!#A 51  -3.82e+05

!S36
assign (resid 36 and name HA) (resid 210 and name H1') 5.5 3.8 0.5	!#A 75  -6.94e+05
assign (resid 36 and name HB#) (resid 210 and name H1') 4.5 2.8 0.5	!#A 74  -4.34e+05
assign (resid 36 and name HA) (resid 211 and name H1') 4.5 2.8 0.5	!#A 80  -4.30e+05

!K37
assign (resid 37 and name HD#) (resid 211 and name H5') 5.5 3.8 0.5	!#A 3  8.79e+05
assign (resid 37 and name HG#) (resid 211 and name H5') 4.5 3.8 0.5 	!#A 15  -3.47e+05
assign (resid 37 and name HG#) (resid 211 and name H4') 4.5 3.8 0.5	!#A 18  -3.44e+05

!Q38

!L39

!G40

!Y41

!Q42

!W43
assign (resid 43 and name HE1) (resid 211 and name H2'') 5.5 3.8 0.5
assign (resid 43 and name HE1) (resid 212 and name H3') 5.5 3.8 1.5
assign (resid 43 and name HE1) (resid 212 and name H5') 4.5 2.8 0.5
assign (resid 43 and name HE1) (resid 212 and name H4') 4.5 2.8 0.5
assign (resid 43 and name HD1) (resid 212 and name H5') 5.5 3.8 0.5
assign (resid 43 and name HD1) (resid 212 and name H3') 4.5 2.8 0.5
assign (resid 43 and name HD1) (resid 212 and name H1') 5.5 3.8 0.5
assign (resid 43 and name HD1) (resid 211 and name H2'') 5.5 3.8 0.5

!K44

!M45

!L46

!T47

!E48

!A49

!E50

!K51

!W52

!P53

!F54

!F55

!Q56

!E57

!A58

!Q59

!K60

!L61

!Q62

!A63

!M64

!H65

!R66
assign (resid 66 and name HG#) (resid 214 and name H4') 5.5 3.8 0.5
assign (resid 66 and name HD#) (resid 215 and name H5') 4.5 3.8 0.5

!E67

!K68

!Y69

!P70

!N71

!Y72

!K73
assign (resid 73 and name HE#) (resid 216 and name H4') 2.8 2.8 0.5
assign (resid 73 and name HD#) (resid 216 and name H5') 5.5 2.8 0.5

!Y74
assign (resid 74 and name HE#) (resid 203 and name H2) 2.8 1.8 0.5	!#A 36  -3.32e+06
assign (resid 74 and name HE#) (resid 204 and name H4') 3.7 2.0 0.5	!#A 36  -3.32e+06
assign (resid 74 and name HE#) (resid 203 and name H4') 5.5 3.8 0.5	!#A 36  -3.32e+06
assign (resid 74 and name HD#) (resid 215 and name H1') 3.5 3.8 0.5
assign (resid 74 and name HE#) (resid 215 and name H1') 5.5 3.8 0.5
assign (resid 74 and name HD#) (resid 203 and name H3') 5.5 3.8 0.5
assign (resid 74 and name HD#) (resid 203 and name H5') 5.5 3.8 0.5




(B) Dihedral angle restraints
!remark phi angle constraints
restraints dihed reset
!remark phi angle constraints
  !!    R4
 assign (resid  3  and name c ) (resid  4  and name n ) 
        (resid  4  and name ca) (resid  4  and name c )  1.0 -75.0 10.0 2
  !!    V5
 assign (resid  4  and name c ) (resid  5  and name n ) 
        (resid  5  and name ca) (resid  5  and name c )  1.0 -88.0 10.0 2
  !!    K6
 assign (resid  5  and name c ) (resid  6  and name n ) 
        (resid  6  and name ca) (resid  6  and name c )  1.0 -80.0 10.0 2
  !!    R7
 assign (resid  6  and name c ) (resid  7  and name n ) 
        (resid  7  and name ca) (resid  7  and name c )  1.0 -120.0 30.0 2
    !!    P8
 assign (resid  7  and name c ) (resid  8  and name n ) 
        (resid  8  and name ca) (resid  8  and name c )  1.0 -57.0 20.0 2
      !!    M9
 assign (resid  8  and name c ) (resid  9  and name n ) 
        (resid  9  and name ca) (resid  9  and name c )  1.0 -65.0 10.0 2
  !!    N10
 assign (resid  9  and name c ) (resid  10  and name n ) 
        (resid  10  and name ca) (resid  10  and name c )  1.0 -90.0 30.0 2
      !!    A11
 assign (resid  10  and name c ) (resid  11  and name n ) 
        (resid  11  and name ca) (resid  11  and name c )  1.0 -40.0 10.0 2
      !!    F12
 assign (resid  11  and name c ) (resid  12  and name n ) 
        (resid  12  and name ca) (resid  12  and name c )  1.0 -80.0 10.0 2
  !!    I13
 assign (resid  12  and name c ) (resid  13  and name n ) 
        (resid  13  and name ca) (resid  13  and name c )  1.0 -65.0 10.0 2
  !!    V14
 assign (resid  13  and name c ) (resid  14  and name n ) 
        (resid  14  and name ca) (resid  14  and name c )  1.0 -53.0 10.0 2
  !!    W15
 assign (resid  14  and name c ) (resid  15  and name n ) 
        (resid  15  and name ca) (resid  15  and name c )  1.0 -55.0 10.0 2
  !!    S16
 assign (resid  15  and name c ) (resid  16  and name n ) 
        (resid  16  and name ca) (resid  16  and name c )  1.0 -45.0 20.0 2
  !!    R17
 assign (resid  16  and name c ) (resid  17  and name n ) 
        (resid  17  and name ca) (resid  17  and name c )  1.0 -40.0 10.0 2
  !!    D18
 assign (resid  17  and name c ) (resid  18  and name n ) 
        (resid  18  and name ca) (resid  18  and name c )  1.0 -73.0 10.0 2
  !!    Q19
 assign (resid  18  and name c ) (resid  19  and name n ) 
        (resid  19  and name ca) (resid  19  and name c )   1.0  -63.0 10.0 2
  !!    R20
 assign (resid  19  and name c ) (resid  20  and name n ) 
        (resid  20  and name ca) (resid  20  and name c )   1.0  -48.0 10.0 2
  !!    R21
 assign (resid  20  and name c ) (resid 21 and name n ) 
        (resid  21 and name ca) (resid 21 and name c )   1.0  -63.0 10.0 2
  !!    K22
 assign (resid 21 and name c ) (resid 22 and name n ) 
        (resid 22 and name ca) (resid 22 and name c )   1.0  -68.0 10.0 2
  !!    M23
 assign (resid 22 and name c ) (resid 23 and name n ) 
        (resid 23 and name ca) (resid 23 and name c )   1.0  -63.0 10.0 2
  !!    A24
 assign (resid 23 and name c ) (resid 24 and name n ) 
        (resid 24 and name ca) (resid 24 and name c )   1.0  -70.0 10.0 2
  !!    L25
 assign (resid 24 and name c ) (resid 25 and name n ) 
        (resid 25 and name ca) (resid 25 and name c )   1.0  -67.0 10.0 2
  !!    Q26
 assign (resid  25  and name c ) (resid  26  and name n ) 
        (resid  26  and name ca) (resid  26  and name c )  1.0 -78.0 10.0 2
  !!    N27
 assign (resid  26  and name c ) (resid  27  and name n ) 
        (resid  27  and name ca) (resid  27  and name c )  1.0 -120.0 20.0 2
  !!    P28
 assign (resid  27  and name c ) (resid  28  and name n ) 
        (resid  28  and name ca) (resid  28  and name c )  1.0 -57.0 30.0 2
     !!    R29
 assign (resid  28  and name c ) (resid  29  and name n ) 
        (resid  29  and name ca) (resid  29  and name c )  1.0 -120.0 15.0 2
     !!    N30
assign (resid  29  and name c ) (resid  30  and name n ) 
       (resid  30  and name ca) (resid  30  and name c )  1.0 -78.0 10.0 2
    !!    R31
 assign (resid  30  and name c ) (resid  31  and name n ) 
        (resid  31  and name ca) (resid  31  and name c )  1.0 -75.0 10.0 2 
     !!    S33
 assign (resid  32  and name c ) (resid  33  and name n ) 
        (resid  33  and name ca) (resid  33  and name c )  1.0 -90.0 30.0 2
    !!    E34
 assign (resid 33 and name c ) (resid 34 and name n ) 
        (resid 34 and name ca) (resid 34 and name c )   1.0  -85.0 10.0 2
  !!    I35
 assign (resid 34 and name c ) (resid 35 and name n ) 
        (resid 35 and name ca) (resid 35 and name c )   1.0  -50.0 10.0 2
  !!    S36
 assign (resid 35 and name c ) (resid 36 and name n ) 
        (resid 36 and name ca) (resid 36 and name c )   1.0  -70.0 20.0 2
         !!    K37
 assign (resid 36 and name c ) (resid 37 and name n ) 
        (resid 37 and name ca) (resid 37 and name c )   1.0  -63.0 10.0 2
  !!    Q38
 assign (resid 37 and name c ) (resid 38 and name n )
        (resid 38 and name ca) (resid 38 and name c )   1.0  -68.0 10.0 2
  !!    L39
 assign (resid 38 and name c ) (resid 39 and name n ) 
        (resid 39 and name ca) (resid 39 and name c )   1.0  -60.0 10.0 2
  !!    G40
 assign (resid 39 and name c ) (resid 40 and name n ) 
        (resid 40 and name ca) (resid 40 and name c )   1.0  -58.0 10.0 2
  !!    Y41
 assign (resid 40 and name c ) (resid 41 and name n ) 
        (resid 41 and name ca) (resid 41 and name c )   1.0  -60.0 10.0 2
  !!    Q42
 assign (resid 41 and name c ) (resid 42 and name n ) 
        (resid 42 and name ca) (resid 42 and name c )   1.0  -65.0 10.0 2
  !!    W43
 assign (resid 42 and name c ) (resid 43 and name n ) 
        (resid 43 and name ca) (resid 43 and name c )   1.0  -70.0 20.0 2
  !!    K44
 assign (resid 43 and name c ) (resid 44 and name n ) 
        (resid 44 and name ca) (resid 44 and name c )   1.0  -65.0 10.0 2
  !!    M45
 assign (resid 44 and name c ) (resid 45 and name n ) 
        (resid 45 and name ca) (resid 45 and name c )   1.0  -148.0 10.0 2
  !!    L46 
 assign (resid  45  and name c ) (resid  46  and name n ) 
        (resid  46 and name ca) (resid  46  and name c )  1.0 -65.0 20.0 2
      !!    T47
 assign (resid 46 and name c ) (resid 47 and name n ) 
        (resid 47 and name ca) (resid 47 and name c )   1.0  -75.0 10.0 2
  !!    E48
 assign (resid 47 and name c ) (resid 48 and name n ) 
        (resid 48 and name ca) (resid 48 and name c )   1.0  -50.0 20.0 2
  !!    A49
 assign (resid 48 and name c ) (resid 49 and name n ) 
        (resid 49 and name ca) (resid 49 and name c )   1.0  -63.0 10.0 2
  !!    E50
 assign (resid 49 and name c ) (resid 50 and name n ) 
        (resid 50 and name ca) (resid 50 and name c )   1.0  -90.0 20.0 2
  !!    K51
 assign (resid 50 and name c ) (resid 51 and name n ) 
        (resid 51 and name ca) (resid 51 and name c )   1.0  -75.0 10.0 2
  !!    W52
 assign (resid 51 and name c ) (resid 52 and name n ) 
        (resid 52 and name ca) (resid 52 and name c )   1.0  -43.0 10.0 2
  !!    P53
 assign (resid 52 and name c ) (resid 53 and name n ) 
        (resid 53 and name ca) (resid 53 and name c )   1.0  -57.0 30.0 2
  !!    F54
 assign (resid 53 and name c ) (resid 54 and name n ) 
        (resid 54 and name ca) (resid 54 and name c )   1.0  -75.0 20.0 2
  !!    F55
 assign (resid 54 and name c ) (resid 55 and name n ) 
        (resid 55 and name ca) (resid 55 and name c )   1.0  -75.0 15.0 2
  !!    D56
 assign (resid 55 and name c ) (resid 56 and name n ) 
        (resid 56 and name ca) (resid 56 and name c )   1.0  -55.0 10.0 2
  !!    E57
 assign (resid 56 and name c ) (resid 57 and name n ) 
        (resid 57 and name ca) (resid 57 and name c )   1.0  -63.0 10.0 2
  !!    A58
 assign (resid 57 and name c ) (resid 58 and name n ) 
        (resid 58 and name ca) (resid 58 and name c )   1.0  -55.0 10.0 2
  !!    Q59
 assign (resid 58 and name c ) (resid 59 and name n ) 
        (resid 59 and name ca) (resid 59 and name c )   1.0  -70.0 10.0 2
  !!    K60
assign (resid 59 and name c ) (resid 60 and name n ) 
        (resid 60 and name ca) (resid 60 and name c )  1.0 -63.0 10.0 2
  !!    L61
 assign (resid 60 and name c ) (resid 61 and name n ) 
        (resid 61 and name ca) (resid 61 and name c )  1.0 -40.0 20.0 2
  !!    Q62
 assign (resid 61 and name c ) (resid 62 and name n ) 
        (resid 62 and name ca) (resid 62 and name c )  1.0 -63.0 10.0 2
  !!    A63
 assign (resid 62 and name c ) (resid 63 and name n ) 
        (resid 63 and name ca) (resid 63 and name c )  1.0 -60.0 10.0 2
  !!    M64
 assign (resid 63 and name c ) (resid 64 and name n ) 
        (resid 64 and name ca) (resid 64 and name c )  1.0 -65.0 10.0 2
  !!    H65
 assign (resid 64 and name c ) (resid 65 and name n ) 
        (resid 65 and name ca) (resid 65 and name c )  1.0 -63.0 10.0 2
  !!    R66
 assign (resid 65 and name c ) (resid 66 and name n ) 
        (resid 66 and name ca) (resid 66 and name c )  1.0 -65.0 10.0 2
  !!    E67
 assign (resid 66 and name c ) (resid 67 and name n ) 
        (resid 67 and name ca) (resid 67 and name c )  1.0 -75.0 10.0 2
  !!    K68
 assign (resid 67 and name c ) (resid 68 and name n ) 
        (resid 68 and name ca) (resid 68 and name c )  1.0 -83.0 10.0 2
  !!   Y69
 assign (resid 68 and name c ) (resid 69 and name n ) 
        (resid 69 and name ca) (resid 69 and name c )   1.0  -130.0 20.0 2
  !!   P70
 assign (resid 69 and name c ) (resid 70 and name n ) 
        (resid 70 and name ca) (resid 70 and name c )   1.0  -60.0 30.0 2
  !!   N71
 assign (resid 70 and name c ) (resid 71 and name n ) 
        (resid 71 and name ca) (resid 71 and name c )   1.0  -60.0 60.0 2
     !!   Y72
 assign (resid 71 and name c ) (resid 72 and name n ) 
        (resid 72 and name ca) (resid 72 and name c )   1.0  -60.0 30.0 2
     !!   K73
 assign (resid 72 and name c ) (resid 73 and name n ) 
        (resid 73 and name ca) (resid 73 and name c )   1.0  -120.0 20.0 2
  !!   Y74
 assign (resid 73 and name c ) (resid 74 and name n ) 
        (resid 74 and name ca) (resid 74 and name c )   1.0  -60.0 20.0 2
      !!   R75
 assign (resid 74 and name c ) (resid 75 and name n ) 
        (resid 75 and name ca) (resid 75 and name c )   1.0  -120.0 20.0 2

!psi restraints

 !!D3
 assign (resid 3 and name n ) (resid 3 and name ca ) 
        (resid 3 and name c) (resid 4 and name n )   1.0  -100.0 20.0 2
 !!r4
 assign (resid 4 and name n ) (resid 4 and name ca ) 
        (resid 4 and name c) (resid 5 and name n )   1.0  100.0 40.0 2
 !!v5
 assign (resid 5 and name n ) (resid 5 and name ca ) 
        (resid 5 and name c) (resid 6 and name n )   1.0  160.0 30.0 2
 !!k6
 assign (resid 6 and name n ) (resid 6 and name ca ) 
        (resid 6 and name c) (resid 7 and name n )   1.0  150.0 30.0 2
 !!Y69
 assign (resid 69 and name n ) (resid 69 and name ca ) 
        (resid 69 and name c) (resid 70 and name n )   1.0  70.0 30.0 2
 !!P70
 assign (resid 70 and name n ) (resid 70 and name ca ) 
        (resid 70 and name c) (resid 71 and name n )   1.0  -60.0 30.0 2
 !!N71
 assign (resid 71 and name n ) (resid 71 and name ca ) 
        (resid 71 and name c) (resid 72 and name n )   1.0  0.0 30.0 2
 !!Y72
 assign (resid 72 and name n ) (resid 72 and name ca ) 
        (resid 72 and name c) (resid 73 and name n )   1.0  90.0 30.0 2
 !!K73
 assign (resid 73 and name n ) (resid 73 and name ca ) 
        (resid 73 and name c) (resid 74 and name n )   1.0  160.0 35.0 2
 !!Y74
 assign (resid 74 and name n ) (resid 74 and name ca ) 
        (resid 74 and name c) (resid 75 and name n )   1.0  145.0 35.0 2


!chi1 restraints

  !!R4
assign (resid 4 and name n) (resid 4 and name ca) 
       (resid 4 and name cb) (resid 4 and name cg) 1.0 -60.0 20.0 2
     !!V5
assign (resid 5 and name n) (resid 5 and name ca) 
       (resid 5 and name cb) (resid 5 and name cg1) 1.0 180.0 20.0 2
  !!K6
  !!R7
assign (resid 7 and name n) (resid 7 and name ca) 
       (resid 7 and name cb) (resid 7 and name cg) 1.0 60.0 20.0 2
  !!M9
assign (resid 9 and name n) (resid 9 and name ca) 
       (resid 9 and name cb) (resid 9 and name cg) 1.0 -60.0 20.0 2
  !!N10
assign (resid 10 and name n) (resid 10 and name ca) 
       (resid 10 and name cb) (resid 10 and name cg) 1.0 -60.0 20.0 2
  !!F12
assign (resid 12 and name n) (resid 12 and name ca) 
       (resid 12 and name cb) (resid 12 and name cg) 1.0 180.0 20.0 2
 !!I13
assign (resid 13 and name n) (resid 13 and name ca)
       (resid 13 and name cb) (resid 13 and name cg1) 1.0 -60.0 20.0 2
 !!V14
assign (resid 14 and name n) (resid 14 and name ca)
       (resid 14 and name cb) (resid 14 and name cg1) 1.0 180.0 20.0 2
 !!W15
assign (resid 15 and name n) (resid 15 and name ca) 
       (resid 15 and name cb) (resid 15 and name cg) 1.0 -60.0 20.0 2
 !!S16
assign (resid 16 and name n) (resid 16 and name ca) 
       (resid 16 and name cb) (resid 16 and name og) 1.0 180.0 20.0 2
 !!R17
assign (resid 17 and name n) (resid 17 and name ca) 
       (resid 17 and name cb) (resid 17 and name cg) 1.0 -60.0 20.0 2
  !!D18
assign (resid 18 and name n) (resid 18 and name ca) 
       (resid 18 and name cb) (resid 18 and name cg) 1.0 -60.0 20.0 2
 !!Q19
assign (resid 19 and name n) (resid 19 and name ca) 
       (resid 19 and name cb) (resid 19 and name cg) 1.0 180.0 20.0 2
 !!R20
 !!R21
assign (resid 21 and name n) (resid 21 and name ca) 
       (resid 21 and name cb) (resid 21 and name cg) 1.0 180.0 20.0 2
 !!K22
assign (resid 22 and name n) (resid 22 and name ca) 
       (resid 22 and name cb) (resid 22 and name cg) 1.0 180.0 20.0 2
 !!M23
assign (resid 23 and name n) (resid 23 and name ca) 
       (resid 23 and name cb) (resid 23 and name cg) 1.0 180.0 20.0 2
 !!L25
assign (resid 25 and name n) (resid 25 and name ca) 
       (resid 25 and name cb) (resid 25 and name cg) 1.0 -60.0 20.0 2
 !!E26
assign (resid 26 and name n) (resid 26 and name ca) 
       (resid 26 and name cb) (resid 26 and name cg) 1.0 -60.0 20.0 2
 !!N27
assign (resid 27 and name n) (resid 27 and name ca) 
       (resid 27 and name cb) (resid 27 and name cg) 1.0 -60.0 20.0 2
 !!R29
assign (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
 !!M30
assign (resid 30 and name n) (resid 30 and name ca) 
       (resid 30 and name cb) (resid 30 and name cg) 1.0 -60.0 20.0 2
 !!R31
assign (resid 31 and name n) (resid 31 and name ca) 
       (resid 31 and name cb) (resid 31 and name cg) 1.0 -60.0 20.0 2
 !!S33 
assign (resid 33 and name n) (resid 33 and name ca) 
       (resid 33 and name cb) (resid 33 and name og) 1.0 -60.0 30.0 2
 !!R34
assign (resid 34 and name n) (resid 34 and name ca) 
       (resid 34 and name cb) (resid 34 and name cg) 1.0 -60.0 20.0 2
 !!I35
assign (resid 35 and name n) (resid 35 and name ca)
       (resid 35 and name cb) (resid 35 and name cg1) 1.0 180.0 20.0 2
 !!S36
assign (resid 36 and name n) (resid 36 and name ca) 
       (resid 36 and name cb) (resid 36 and name og) 1.0 -60.0 20.0 2
 !!K37
assign (resid 37 and name n) (resid 37 and name ca) 
       (resid 37 and name cb) (resid 37 and name cg) 1.0 -60.0 20.0 2
 !!Q38
assign (resid 38 and name n) (resid 38 and name ca) 
       (resid 38 and name cb) (resid 38 and name cg) 1.0 -60.0 20.0 2
 !!L39
assign (resid 39 and name n) (resid 39 and name ca)
       (resid 39 and name cb) (resid 39 and name cg) 1.0 -60.0 20.0 2
 !!Y41
assign (resid 41 and name n) (resid 41 and name ca) 
       (resid 41 and name cb) (resid 41 and name cg) 1.0 180.0 20.0 2
 !!Q42
assign (resid 42 and name n) (resid 42 and name ca) 
       (resid 42 and name cb) (resid 42 and name cg) 1.0 -60.0 20.0 2
 !!W43
assign (resid 43 and name n) (resid 43 and name ca) 
       (resid 43 and name cb) (resid 43 and name cg) 1.0 -60.0 20.0 2
 !!K44
assign (resid 44 and name n) (resid 44 and name ca) 
       (resid 44 and name cb) (resid 44 and name cg) 1.0 -60.0 20.0 2
 !!M45
assign (resid 45 and name n) (resid 45 and name ca) 
       (resid 45 and name cb) (resid 45 and name cg) 1.0 -60.0 20.0 2
 !!L46
assign (resid 46 and name n) (resid 46 and name ca)
       (resid 46 and name cb) (resid 46 and name cg) 1.0 -60.0 20.0 2
 !!T47
assign (resid 47 and name n) (resid 47 and name ca)
       (resid 47 and name cb) (resid 47 and name og1) 1.0 60.0 20.0 2
 !!Q48
assign (resid 48 and name n) (resid 48 and name ca) 
       (resid 48 and name cb) (resid 48 and name cg) 1.0 -60.0 20.0 2
 !!E50
assign (resid 50 and name n) (resid 50 and name ca) 
       (resid 50 and name cb) (resid 50 and name cg) 1.0 -60.0 20.0 2
   !!K51
assign (resid 51 and name n) (resid 51 and name ca)
       (resid 51 and name cb) (resid 51 and name cg) 1.0 -60.0 20.0 2
   !!W52
assign (resid 52 and name n) (resid 52 and name ca) 
       (resid 52 and name cb) (resid 52 and name cg) 1.0 180.0 20.0 2
 !!F54
assign (resid 54 and name n) (resid 54 and name ca) 
       (resid 54 and name cb) (resid 54 and name cg) 1.0 60.0 20.0 2
 !!F55
assign (resid 55 and name n) (resid 55 and name ca) 
       (resid 55 and name cb) (resid 55 and name cg) 1.0 -60.0 30.0 2
 !!Q56
assign (resid 56 and name n) (resid 56 and name ca) 
       (resid 56 and name cb) (resid 56 and name cg) 1.0 -60.0 20.0 2
 !!E57
assign (resid 57 and name n) (resid 57 and name ca) 
       (resid 57 and name cb) (resid 57 and name cg) 1.0 180.0 20.0 2
 !!Q59
assign (resid 59 and name n) (resid 59 and name ca) 
       (resid 59 and name cb) (resid 59 and name cg) 1.0 -60.0 20.0 2
 !!K60
assign (resid 60 and name n) (resid 60 and name ca) 
       (resid 60 and name cb) (resid 60 and name cg) 1.0 60.0 20.0 2
 !!L61
assign (resid 61 and name n) (resid 61 and name ca) 
       (resid 61 and name cb) (resid 61 and name cg) 1.0 -60.0 20.0 2
 !!Q62
 !!M64
assign (resid 64 and name n) (resid 64 and name ca) 
       (resid 64 and name cb) (resid 64 and name cg) 1.0 -60.0 20.0 2
   !!H65
assign (resid 65 and name n) (resid 65 and name ca) 
       (resid 65 and name cb) (resid 65 and name cg) 1.0 -60.0 20.0 2
   !!R66
 !!K67
assign (resid 67 and name n) (resid 67 and name ca) 
       (resid 67 and name cb) (resid 67 and name cg) 1.0 -60.0 20.0 2
 !!R68
assign (resid 68 and name n) (resid 68 and name ca) 
       (resid 68 and name cb) (resid 68 and name cg) 1.0 -60.0 20.0 2
 !!Y69
assign (resid 69 and name n) (resid 69 and name ca) 
       (resid 69 and name cb) (resid 69 and name cg) 1.0 -60.0 20.0 2
 !!N71
assign (resid 71 and name n) (resid 71 and name ca) 
       (resid 71 and name cb) (resid 71 and name cg) 1.0 -60.0 20.0 2
     !!Y72
assign (resid 72 and name n) (resid 72 and name ca) 
       (resid 72 and name cb) (resid 72 and name cg) 1.0 180.0 20.0 2
 !!K73
assign (resid 73 and name n) (resid 73 and name ca) 
       (resid 73 and name cb) (resid 73 and name cg) 1.0 -60.0 20.0 2
 !!Y74
assign (resid 74 and name n) (resid 74 and name ca) 
       (resid 74 and name cb) (resid 74 and name cg) 1.0 -60.0 20.0 2
 !!R75


!chi2 restraints aromatics

 !!F12
assign (resid 12 and name ca) (resid 12 and name cb) 
       (resid 12 and name cg) (resid 12 and name cd1)  1.0 90.0 20.0 2 
 !!W15
assign (resid 15 and name ca) (resid 15 and name cb) 
       (resid 15 and name cg) (resid 15 and name cd1)  1.0 -50.0 20.0 2
 !!Y41
assign (resid 41 and name ca) (resid 41 and name cb) 
       (resid 41 and name cg) (resid 41 and name cd1)  1.0 90.0 20.0 2
 !!W52
assign (resid 52 and name ca) (resid 52 and name cb) 
       (resid 52 and name cg) (resid 52 and name cd1)  1.0 60.0 20.0 2
 !!F54
assign (resid 54 and name ca) (resid 54 and name cb) 
       (resid 54 and name cg) (resid 54 and name cd1)  1.0 90.0 20.0 2
 !!F55
assign (resid 55 and name ca) (resid 55 and name cb) 
       (resid 55 and name cg) (resid 55 and name cd1)  1.0 90.0 20.0 2
 !!H65
assign (resid 65 and name ca) (resid 65 and name cb) 
       (resid 65 and name cg) (resid 65 and name nd1)  1.0 180.0 30.0 2
 !!Y69
assign (resid 69 and name ca) (resid 69 and name cb) 
       (resid 69 and name cg) (resid 69 and name cd1)  1.0 90.0 30.0 2
 !!Y72
assign (resid 72 and name ca) (resid 72 and name cb) 
       (resid 72 and name cg) (resid 72 and name cd1)  1.0 90.0 30.0 2
 !!Y74
assign (resid 74 and name ca) (resid 74 and name cb) 
       (resid 74 and name cg) (resid 74 and name cd1)  1.0 90.0 30.0 2

!chi2 restraints on aliphatics

 !!I13
assign (resid 13 and name ca) (resid 13 and name cb)
       (resid 13 and name cg1) (resid 13 and name cd1) 1.0 180.0 20.0 2
 !!L25
assign (resid 25 and name ca) (resid 25 and name cb)
       (resid 25 and name cg) (resid 25 and name cd1) 1.0 180.0 20.0 2
 !!I35
assign (resid 35 and name ca) (resid 35 and name cb)
       (resid 35 and name cg1) (resid 35 and name cd1) 1.0 -60.0 20.0 2
 !!L39
assign (resid 39 and name ca) (resid 39 and name cb)
       (resid 39 and name cg) (resid 39 and name cd1) 1.0 180.0 20.0 2
 !!L46
assign (resid 46 and name ca) (resid 46 and name cb)
       (resid 46 and name cg) (resid 46 and name cd1) 1.0 180.0 20.0 2
 !!L61
assign (resid 61 and name ca) (resid 61 and name cb)
       (resid 61 and name cg) (resid 61 and name cd1) 1.0 -60.0 20.0 2

!DNA torsions

!dihedral restraints on epsilon, zeta, alpha and beta.

assign  (resid  201 and name  c4') (resid  201 and name  c3')
        (resid  201 and name  o3') (resid  202 and name   p ) 1.0 -180.0 50.0 2
assign  (resid  201 and name  c3') (resid  201 and name  o3')
        (resid  202 and name   p ) (resid  202 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  201 and name  o3') (resid  202 and name   p )
        (resid  202 and name  o5') (resid  202 and name  c5') 1.0 -60.0  50.0 2
assign  (resid  202 and name   p ) (resid  202 and name  o5')
        (resid  202 and name  c5') (resid  202 and name  c4') 1.0 180.0 50.0 2

assign  (resid  202 and name  c4') (resid  202 and name  c3')
        (resid  202 and name  o3') (resid  203 and name   p ) 1.0 -180.0 50.0 2
assign  (resid  202 and name  c3') (resid  202 and name  o3')
        (resid  203 and name   p ) (resid  203 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  202 and name  o3') (resid  203 and name   p )
        (resid  203 and name  o5') (resid  203 and name  c5') 1.0 -60.0  50.0 2
assign  (resid  203 and name   p ) (resid  203 and name  o5')
        (resid  203 and name  c5') (resid  203 and name  c4') 1.0 180.0 50.0 2

assign  (resid  203 and name  c4') (resid  203 and name  c3')
        (resid  203 and name  o3') (resid  204 and name   p ) 1.0 -180.0 50.0 2
assign  (resid  203 and name  c3') (resid  203 and name  o3')
        (resid  204 and name   p ) (resid  204 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  203 and name  o3') (resid  204 and name   p )
        (resid  204 and name  o5') (resid  204 and name  c5') 1.0 -60.0  50.0 2
assign  (resid  204 and name   p ) (resid  204 and name  o5')
        (resid  204 and name  c5') (resid  204 and name  c4') 1.0 180.0 50.0 2

assign  (resid  204 and name  c4') (resid  204 and name  c3')
        (resid  204 and name  o3') (resid  205 and name   p ) 1.0 -180.0 50.0 2
assign  (resid  204 and name  c3') (resid  204 and name  o3')
        (resid  205 and name   p ) (resid  205 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  204 and name  o3') (resid  205 and name   p )
        (resid  205 and name  o5') (resid  205 and name  c5') 1.0 -60.0  50.0 2
assign  (resid  205 and name   p ) (resid  205 and name  o5')
        (resid  205 and name  c5') (resid  205 and name  c4') 1.0 180.0 50.0 2

assign  (resid  205 and name  c4') (resid  205 and name  c3')
        (resid  205 and name  o3') (resid  206 and name   p ) 1.0 -180.0 50.0 2
assign  (resid  205 and name  c3') (resid  205 and name  o3')
        (resid  206 and name   p ) (resid  206 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  205 and name  o3') (resid  206 and name   p )
        (resid  206 and name  o5') (resid  206 and name  c5') 1.0 -60.0  50.0 2
assign  (resid  206 and name   p ) (resid  206 and name  o5')
        (resid  206 and name  c5') (resid  206 and name  c4') 1.0 180.0 50.0 2

assign  (resid  206 and name  c4') (resid  206 and name  c3')
        (resid  206 and name  o3') (resid  207 and name   p ) 1.0 -180.0 50.0 2
assign  (resid  206 and name  c3') (resid  206 and name  o3')
        (resid  207 and name   p ) (resid  207 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  206 and name  o3') (resid  207 and name   p )
        (resid  207 and name  o5') (resid  207 and name  c5') 1.0 -60.0  50.0 2
assign  (resid  207 and name   p ) (resid  207 and name  o5')
        (resid  207 and name  c5') (resid  207 and name  c4') 1.0 180.0 50.0 2


assign  (resid  207 and name  c4') (resid  207 and name  c3')
        (resid  207 and name  o3') (resid  208 and name   p ) 1.0 -180.0 50.0 2
assign  (resid  207 and name  c3') (resid  207 and name  o3')
        (resid  208 and name   p ) (resid  208 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  207 and name  o3') (resid  208 and name   p )
        (resid  208 and name  o5') (resid  208 and name  c5') 1.0 -60.0  50.0 2
assign  (resid  208 and name   p ) (resid  208 and name  o5')
        (resid  208 and name  c5') (resid  208 and name  c4') 1.0 180.0 50.0 2

assign  (resid  209 and name  c4') (resid  209 and name  c3')
        (resid  209 and name  o3') (resid 210 and name   p ) 1.0 -180.0 50.0 2
assign  (resid  209 and name  c3') (resid  209 and name  o3')
        (resid 210 and name   p ) (resid 210 and name  o5') 1.0 -85.0 50.0 2
assign  (resid  209 and name  o3') (resid 210 and name   p )
        (resid 210 and name  o5') (resid 210 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 210 and name   p ) (resid 210 and name  o5')
        (resid 210 and name  c5') (resid 210 and name  c4') 1.0 180.0 50.0 2

assign  (resid 210 and name  c4') (resid 210 and name  c3')
        (resid 210 and name  o3') (resid 211 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 210 and name  c3') (resid 210 and name  o3')
        (resid 211 and name   p ) (resid 211 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 210 and name o3')  (resid 211 and name   p )
        (resid 211 and name  o5') (resid 211 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 211 and name   p ) (resid 211 and name  o5')
        (resid 211 and name  c5') (resid 211 and name  c4') 1.0 180.0 50.0 2

assign  (resid 211 and name  c4') (resid 211 and name  c3')
        (resid 211 and name  o3') (resid 212 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 211 and name  c3') (resid 211 and name  o3')
        (resid 212 and name   p ) (resid 212 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 211 and name  o3') (resid 212 and name   p )
        (resid 212 and name  o5') (resid 212 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 212 and name   p ) (resid 212 and name  o5')
        (resid 212 and name  c5') (resid 212 and name  c4') 1.0 180.0 50.0 2

assign  (resid 212 and name  c4') (resid 212 and name  c3')
        (resid 212 and name  o3') (resid 213 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 212 and name  c3') (resid 212 and name  o3')
        (resid 213 and name   p ) (resid 213 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 212 and name  o3') (resid 213 and name   p )
        (resid 213 and name  o5') (resid 213 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 213 and name   p ) (resid 213 and name  o5')
        (resid 213 and name  c5') (resid 213 and name  c4') 1.0 180.0 50.0 2

assign  (resid 213 and name  c4') (resid 213 and name  c3')
        (resid 213 and name  o3') (resid 214 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 213 and name  c3') (resid 213 and name  o3')
        (resid 214 and name   p ) (resid 214 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 213 and name  o3') (resid 214 and name   p )
        (resid 214 and name  o5') (resid 214 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 214 and name   p ) (resid 214 and name  o5')
        (resid 214 and name  c5') (resid 214 and name  c4') 1.0 180.0 50.0 2

assign  (resid 214 and name  c4') (resid 214 and name  c3')
        (resid 214 and name  o3') (resid 215 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 214 and name  c3') (resid 214 and name  o3')
        (resid 215 and name   p ) (resid 215 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 214 and name  o3') (resid 215 and name   p )
        (resid 215 and name  o5') (resid 215 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 215 and name   p ) (resid 215 and name  o5')
        (resid 215 and name  c5') (resid 215 and name  c4') 1.0 180.0 50.0 2

assign  (resid 215 and name  c4') (resid 215 and name  c3')
        (resid 215 and name  o3') (resid 216 and name   p ) 1.0 -180.0 50.0 2
assign  (resid 215 and name  c3') (resid 215 and name  o3')
        (resid 216 and name   p ) (resid 216 and name  o5') 1.0 -85.0 50.0 2
assign  (resid 215 and name  o3') (resid 216 and name   p )
        (resid 216 and name  o5') (resid 216 and name  c5') 1.0 -60.0  50.0 2
assign  (resid 216 and name   p ) (resid 216 and name  o5')
        (resid 216 and name  c5') (resid 216 and name  c4') 1.0 180.0 50.0 2


!dihedral restraints on delta 90 +/- 50

assign (resid 201 and name c5') (resid 201 and name c4')
       (resid 201 and name c3') (resid 201 and name o3')   1.0  90.0 80.0 2
assign (resid 202 and name c5') (resid 202 and name c4')
       (resid 202 and name c3') (resid 202 and name o3')   1.0  90.0 50.0 2
assign (resid 203 and name c5') (resid 203 and name c4')
       (resid 203 and name c3') (resid 203 and name o3')   1.0  90.0 50.0 2
assign (resid 204 and name c5') (resid 204 and name c4')
       (resid 204 and name c3') (resid 204 and name o3')   1.0  90.0 50.0 2
assign (resid 205 and name c5') (resid 205 and name c4')
       (resid 205 and name c3') (resid 205 and name o3')    1.0 80.0 60.0 2
assign (resid 206 and name c5') (resid 206 and name c4')
       (resid 206 and name c3') (resid 206 and name o3')    1.0 90.0 50.0 2
assign (resid 207 and name c5') (resid 207 and name c4')
       (resid 207 and name c3') (resid 207 and name o3')    1.0 90.0 80.0 2
assign (resid 208 and name c5') (resid 208 and name c4')
       (resid 208 and name c3') (resid 208 and name o3')    1.0  90.0 50.0 2
assign (resid 209 and name c5') (resid 209 and name c4')
       (resid 209 and name c3') (resid 209 and name o3')    1.0  90.0 80.0 2
assign (resid 210 and name c5') (resid 210 and name c4')
       (resid 210 and name c3') (resid 210 and name o3')    1.0  90.0 50.0 2
assign (resid 211 and name c5') (resid 211 and name c4')
       (resid 211 and name c3') (resid 211 and name o3')    1.0  90.0 50.0 2
assign (resid 212 and name c5') (resid 212 and name c4')
       (resid 212 and name c3') (resid 212 and name o3')    1.0  90.0 50.0 2
assign (resid 213 and name c5') (resid 213 and name c4')
       (resid 213 and name c3') (resid 213 and name o3')    1.0  90.0 80.0 2
assign (resid 214 and name c5') (resid 214 and name c4')
       (resid 214 and name c3') (resid 214 and name o3')    1.0  90.0 50.0 2
assign (resid 215 and name c5') (resid 215 and name c4')
       (resid 215 and name c3') (resid 215 and name o3')    1.0 90.0 50.0 2
assign (resid 216 and name c5') (resid 216 and name c4')
       (resid 216 and name c3') (resid 216 and name o3')    1.0 90.0 50.0 2

!constraints on gamma: 60 +/-35

assign (resid 201 and name o5') (resid 201 and name c5')
       (resid 201 and name c4') (resid 201 and name c3')   1.0 60.0 35.0 2
assign (resid 202 and name o5') (resid 202 and name c5')
       (resid 202 and name c4') (resid 202 and name c3')   1.0 60.0 35.0 2 
assign (resid 203 and name o5') (resid 203 and name c5')
        (resid 203 and name c4') (resid 203 and name c3')   1.0 60.0 35.0 2
assign (resid 204 and name o5') (resid 204 and name c5')
       (resid 204 and name c4') (resid 204 and name c3')   1.0 60.0 35.0 2
assign (resid 205 and name o5') (resid 205 and name c5')
       (resid 205 and name c4') (resid 205 and name c3')   1.0 60.0 35.0 2
assign (resid 206 and name o5') (resid 206 and name c5')
       (resid 206 and name c4') (resid 206 and name c3')   1.0 60.0 35.0 2
assign (resid 207 and name o5') (resid 207 and name c5')
       (resid 207 and name c4') (resid 207 and name c3')   1.0 60.0 35.0 2
assign (resid 208 and name o5') (resid 208 and name c5')
       (resid 208 and name c4') (resid 208 and name c3')   1.0 60.0 35.0 2
assign (resid 209 and name o5') (resid 209 and name c5')
       (resid 209 and name c4') (resid 209 and name c3')   1.0 60.0 35.0 2
assign (resid 210 and name o5') (resid 210 and name c5')
       (resid 210 and name c4') (resid 210 and name c3')   1.0 60.0 35.0 2
assign (resid 211 and name o5') (resid 211 and name c5')
       (resid 211 and name c4') (resid 211 and name c3')   1.0 60.0 35.0 2
assign (resid 212 and name o5') (resid 212 and name c5')
       (resid 212 and name c4') (resid 212 and name c3')   1.0 60.0 35.0 2
assign (resid 213 and name o5') (resid 213 and name c5')
       (resid 213 and name c4') (resid 213 and name c3')   1.0 60.0 35.0 2
assign (resid 214 and name o5') (resid 214 and name c5')
       (resid 214 and name c4') (resid 214 and name c3')   1.0 60.0 35.0 2
assign (resid 215 and name o5') (resid 215 and name c5')
       (resid 215 and name c4') (resid 215 and name c3')   1.0 60.0 35.0 2
assign (resid 216 and name o5') (resid 216 and name c5')
       (resid 216 and name c4') (resid 216 and name c3')   1.0 60.0 35.0 2


end

(C) 3JHNa coupling constants

!remark phi angle coupling constants

  !!    R4
 assign (resid  3  and name c ) (resid  4  and name n ) 
        (resid  4  and name ca) (resid  4  and name c )   6.2 0.5 
  !!    V5
 assign (resid  4  and name c ) (resid  5  and name n )
        (resid  5  and name ca) (resid  5  and name c )   7.8 0.5
  !!    K6
 assign (resid  5  and name c ) (resid  6  and name n ) 
        (resid  6  and name ca) (resid  6  and name c )   6.8 0.5 
  !!    M9
 assign (resid  8  and name c ) (resid  9  and name n ) 
        (resid  9  and name ca) (resid  9  and name c )   4.4 0.5 
  !!    F12
 assign (resid 11 and name c ) (resid 12 and name n ) 
        (resid 12 and name ca) (resid 12 and name c )     6.7 0.5 
  !!    I13
 assign (resid 12 and name c ) (resid 13 and name n ) 
        (resid 13 and name ca) (resid 13 and name c )     4.6 0.5 
  !!    V14
 assign (resid 13 and name c ) (resid 14 and name n ) 
        (resid 14 and name ca) (resid 14 and name c )     3.3 0.5 
  !!    W15
 assign (resid 14 and name c ) (resid 15 and name n ) 
        (resid 15 and name ca) (resid 15 and name c )     3.6 0.5 
  !!    R17
 assign (resid 16 and name c ) (resid 17 and name n ) 
        (resid 17 and name ca) (resid 17 and name c )     2.2 0.5 
  !!    D18
 assign (resid 17 and name c ) (resid 18 and name n ) 
        (resid 18 and name ca) (resid 18 and name c )     5.7 0.5 
  !!    Q19
 assign (resid 19 and name c ) (resid 20 and name n ) 
        (resid 20 and name ca) (resid 20 and name c )     5.6 0.5 
  !!    R20
 assign (resid 20 and name c ) (resid 21 and name n ) 
        (resid 21 and name ca) (resid 21 and name c )     2.8 0.5 
  !!    R21
 assign (resid 19 and name c ) (resid 20 and name n )
        (resid 20 and name ca) (resid 20 and name c)      4.4 0.5
  !!    K22
 assign (resid 21 and name c ) (resid 22 and name n ) 
        (resid 22 and name ca) (resid 22 and name c )     5.2 0.5 
  !!    M23
 assign (resid 22 and name c ) (resid 23 and name n )
        (resid 23 and name ca) (resid 23 and name c )     4.4 0.5
  !!    A24
 assign (resid 23 and name c ) (resid 24 and name n )
        (resid 24 and name ca) (resid 24 and name c )     5.5 0.5
  !!    L25
 assign (resid 24 and name c ) (resid 25 and name n )
        (resid 25 and name ca) (resid 25 and name c )     4.8 0.5
  !!    E26
 assign (resid 25 and name c ) (resid 26 and name n ) 
        (resid 26 and name ca) (resid 26 and name c )     6.4 0.5 
  !!    N27
 assign (resid 26 and name c ) (resid 27 and name n ) 
        (resid 27 and name ca) (resid 27 and name c )     10.2 0.5 
  !!    R29
 assign (resid 28 and name c ) (resid 29 and name n ) 
        (resid 29 and name ca) (resid 29 and name c )     9.5 0.5 
  !!    M30
 assign (resid 29 and name c ) (resid 30 and name n )
        (resid 30 and name ca) (resid 30 and name c )     6.6 0.5
  !!    R31
 assign (resid 30 and name c ) (resid 31 and name n )
        (resid 31 and name ca) (resid 31 and name c )     6.2 0.5
  !!    E34
 assign (resid 33 and name c ) (resid 34 and name n )
        (resid 34 and name ca) (resid 34 and name c )     7.3 0.5
  !!    I35
 assign (resid 34 and name c ) (resid 35 and name n )
        (resid 35 and name ca) (resid 35 and name c )     2.9 0.5
  !!    K37
 assign (resid 36 and name c ) (resid 37 and name n ) 
        (resid 37 and name ca) (resid 37 and name c )     4.6 0.5 
  !!    Q38
 assign (resid 37 and name c ) (resid 38 and name n ) 
        (resid 38 and name ca) (resid 38 and name c )     5.2 0.5 
  !!    L39
 assign (resid 38 and name c ) (resid 39 and name n )
        (resid 39 and name ca) (resid 39 and name c )     4.0 0.5
  !!    G40
 assign (resid 38 and name c ) (resid 39 and name n )
        (resid 39 and name ca) (resid 39 and name c )     3.9 0.5
  !!    Y41
 assign (resid 40 and name c ) (resid 41 and name n ) 
        (resid 41 and name ca) (resid 41 and name c )     4.1 0.5 
  !!    Q42
 assign (resid 41 and name c ) (resid 42 and name n ) 
        (resid 42 and name ca) (resid 42 and name c )     4.8 0.5 
  !!    K44
 assign (resid 43 and name c ) (resid 44 and name n ) 
        (resid 44 and name ca) (resid 44 and name c )     4.7 0.5 
  !!    M45
 assign (resid 44 and name c ) (resid 45 and name n ) 
        (resid 45 and name ca) (resid 45 and name c )     8.2 0.5 
  !!    L46
 assign (resid 45 and name c ) (resid 46 and name n ) 
        (resid 46 and name ca) (resid 46 and name c )     5.0 0.5 
  !!    T47
 assign (resid 46 and name c ) (resid 47 and name n ) 
        (resid 47 and name ca) (resid 47 and name c )     6.3 0.5 
  !!    A49
 assign (resid 48 and name c ) (resid 49 and name n ) 
        (resid 49 and name ca) (resid 49 and name c )     4.2 0.5 
  !!    K51
 assign (resid 50 and name c ) (resid 51 and name n ) 
        (resid 51 and name ca) (resid 51 and name c )     6.1 0.5 
  !!    W52
 assign (resid 51 and name c ) (resid 52 and name n ) 
        (resid 52 and name ca) (resid 52 and name c )     2.3 0.5 
  !!    F55
 assign (resid 54 and name c ) (resid 55 and name n )
        (resid 55 and name ca) (resid 55 and name c )     5.9 0.5
  !!    Q56
 assign (resid 55 and name c ) (resid 56 and name n ) 
        (resid 56 and name ca) (resid 56 and name c )     3.4 0.5 
  !!    E57
 assign (resid 56 and name c ) (resid 57 and name n ) 
        (resid 57 and name ca) (resid 57 and name c )     4.5 0.5 
  !!    A58
 assign (resid 57 and name c ) (resid 58 and name n )
        (resid 58 and name ca) (resid 58 and name c )     3.5 0.5
  !!    Q59
 assign (resid 58 and name c ) (resid 59 and name n ) 
        (resid 59 and name ca) (resid 59 and name c )     5.3 0.5 
  !!    K60
 assign (resid 59 and name c ) (resid 60 and name n ) 
        (resid 60 and name ca) (resid 60 and name c )     4.3 0.5 
  !!    Q62
 assign (resid 61 and name c ) (resid 62 and name n ) 
        (resid 62 and name ca) (resid 62 and name c )     4.3 0.5 
  !!    A63
 assign (resid 62 and name c ) (resid 63 and name n ) 
        (resid 63 and name ca) (resid 63 and name c )     4.1 0.5 
  !!    M64
 assign (resid 63 and name c ) (resid 64 and name n ) 
        (resid 64 and name ca) (resid 64 and name c )     4.7 0.5 
  !!    H65
 assign (resid 64 and name c ) (resid 65 and name n ) 
        (resid 65 and name ca) (resid 65 and name c )     4.2 0.5 
  !!    R66
 assign (resid 65 and name c ) (resid 66 and name n ) 
        (resid 66 and name ca) (resid 66 and name c )     4.8 0.5 
  !!    E67
 assign (resid 66 and name c ) (resid 67 and name n )
        (resid 67 and name ca) (resid 67 and name c )     6.1 0.5 
  !!    K68
 assign (resid 67 and name c ) (resid 68 and name n )
        (resid 68 and name ca) (resid 68 and name c )     7.2 0.5
  !!    Y69
 assign (resid 68 and name c ) (resid 69 and name n ) 
        (resid 69 and name ca) (resid 69 and name c )     10.3 0.5 
  !!    Y72
 assign (resid 71 and name c ) (resid 72 and name n ) 
        (resid 72 and name ca) (resid 72 and name c )     4.4 0.5 
  !!    K73
 assign (resid 72 and name c ) (resid 73 and name n ) 
        (resid 73 and name ca) (resid 73 and name c )    9.8 0.5 
  !!    R75
 assign (resid 74 and name c ) (resid 75 and name n )
        (resid 75 and name ca) (resid 75 and name c )     8.9 0.5
  !!    R77
 assign (resid 76 and name c ) (resid 77 and name n )
        (resid 77 and name ca) (resid 77 and name c )     6.5 0.5
  !!    R78
 assign (resid 77 and name c ) (resid 78 and name n )
        (resid 78 and name ca) (resid 78 and name c )     8.4 0.5

(D) 13C alpha and beta chemical shift restraints

!remark Ca and Cb shifts

  !!    3
 assign (resid  2  and name c ) (resid  3  and name n ) 
        (resid  3  and name ca) (resid  3  and name c )  
	(resid  4  and name n ) 			  54.76 41.50 
  !!    4
 assign (resid  3  and name c ) (resid  4  and name n ) 
        (resid  4  and name ca) (resid  4  and name c ) 
	(resid  5  and name n ) 			  55.99 31.37
  !!    5
 assign (resid  4  and name c ) (resid  5  and name n )
        (resid  5  and name ca) (resid  5  and name c )
	(resid  6  and name n )			          62.71 32.13
  !!    6
 assign (resid  5  and name c ) (resid  6  and name n ) 
        (resid  6  and name ca) (resid  6  and name c )
	(resid  7  and name n )          		  56.31 34.66
  !!    7
! assign (resid  6  and name c ) (resid  7  and name n ) 
!        (resid  7  and name ca) (resid  7  and name c )
!	(resid  8  and name n )   			  55.17 29.52
  !!    8
! assign (resid  7  and name c ) (resid  8  and name n )
!        (resid  8  and name ca) (resid  8  and name c )
!        (resid  9  and name n )   			  61.93 31.57
  !!    9
 assign (resid  8  and name c ) (resid  9  and name n ) 
        (resid  9  and name ca) (resid  9  and name c ) 
	(resid  10  and name n )  		          56.67 36.48
  !!    10
 assign (resid  9  and name c ) (resid  10  and name n )
        (resid 10  and name ca) (resid  10  and name c )
	(resid 11 and name n )   			  51.48 38.35
  !!    11
 assign (resid 10 and name c ) (resid 11 and name n ) 
        (resid 11 and name ca) (resid 11 and name c ) 
	(resid 12 and name n )    			  56.24 19.63
  !!    12
 assign (resid 11 and name c ) (resid 12 and name n ) 
        (resid 12 and name ca) (resid 12 and name c )   
	(resid 13 and name n )  		          59.86 38.43
  !!    13
 assign (resid 12 and name c ) (resid 13 and name n ) 
        (resid 13 and name ca) (resid 13 and name c )
	(resid 14 and name n )     			  61.39 34.22
  !!    14
 assign (resid 13 and name c ) (resid 14 and name n ) 
        (resid 14 and name ca) (resid 14 and name c )
	(resid 15 and name n )     			  67.07 32.29
  !!    15
 assign (resid 14 and name c ) (resid 15 and name n ) 
        (resid 15 and name ca) (resid 15 and name c )
	(resid 16 and name n )     			  61.07 29.63
  !!    16
 assign (resid 15 and name c ) (resid 16 and name n ) 
        (resid 16 and name ca) (resid 16 and name c ) 
	(resid 17 and name n )    			  61.27 63.09
  !!    17
 assign (resid 16 and name c ) (resid 17 and name n ) 
        (resid 17 and name ca) (resid 17 and name c ) 
	(resid 18 and name n )    			  60.72 30.02
  !!    18
 assign (resid 17 and name c ) (resid 18 and name n ) 
        (resid 18 and name ca) (resid 18 and name c )
	(resid 19 and name n )     			  56.07 41.05
  !!    19
assign  (resid 18 and name c ) (resid 19 and name n )
        (resid 19 and name ca) (resid 19 and name c )
        (resid 20 and name n )     			  57.27 28.16
  !!    20
 assign (resid 19 and name c ) (resid 20 and name n ) 
        (resid 20 and name ca) (resid 20 and name c )
	(resid 21 and name n )     			  60.34 30.60
  !!    21
 assign (resid 20 and name c ) (resid 21 and name n ) 
        (resid 21 and name ca) (resid 21 and name c )
	(resid 22 and name n )     			  59.38 29.94
  !!    22
 assign (resid 21 and name c ) (resid 22 and name n ) 
        (resid 22 and name ca) (resid 22 and name c )
	(resid 23 and name n )     		          59.64 32.81
  !!    23
 assign (resid 22 and name c ) (resid 23 and name n )
        (resid 23 and name ca) (resid 23 and name c )
	(resid 24 and name n ) 		          	  58.92 32.91
  !!    24
 assign (resid 23 and name c ) (resid 24 and name n )
        (resid 24 and name ca) (resid 24 and name c )
	(resid 25 and name n )   			  54.75 19.05
  !!    25
 assign (resid 24 and name c ) (resid 25 and name n )
        (resid 25 and name ca) (resid 25 and name c )
	(resid 26 and name n )   			  57.27 42.39
  !!    26
 assign (resid 25 and name c ) (resid 26 and name n ) 
        (resid 26 and name ca) (resid 26 and name c ) 
	(resid 27 and name n )    			  57.77 30.81
  !!    27
 assign (resid 26 and name c ) (resid 27 and name n ) 
        (resid 27 and name ca) (resid 27 and name c )
	(resid 28 and name n )     			  51.07 40.42
  !!    28
 assign (resid 27 and name c ) (resid 28 and name n ) 
        (resid 28 and name ca) (resid 28 and name c )
	(resid 29 and name n )    			  64.78 32.51
  !!    29
 assign (resid 28 and name c ) (resid 29 and name n ) 
        (resid 29 and name ca) (resid 29 and name c ) 
	(resid 30 and name n )    			  55.85 30.03
  !!    30
 assign (resid 29 and name c ) (resid 30 and name n )
        (resid 30 and name ca) (resid 30 and name c )
        (resid 31 and name n )    			  56.89 34.64
  !!    31
 assign (resid 30 and name c ) (resid 31 and name n )
        (resid 31 and name ca) (resid 31 and name c )
        (resid 32 and name n )    			  56.01 31.36
  !!    34
 assign (resid 33 and name c ) (resid 34 and name n )
        (resid 34 and name ca) (resid 34 and name c )
        (resid 35 and name n )    			  58.69 29.89
  !!    35
 assign (resid 34 and name c ) (resid 35 and name n )
        (resid 35 and name ca) (resid 35 and name c )
        (resid 36 and name n )    			  66.03 37.67
  !!    36
 assign (resid 35 and name c ) (resid 36 and name n )
        (resid 36 and name ca) (resid 36 and name c )
        (resid 37 and name n )    			  63.00 63.04
  !!    37
 assign (resid 36 and name c ) (resid 37 and name n ) 
        (resid 37 and name ca) (resid 37 and name c )   
	(resid 38 and name n )  			  60.46 32.77
  !!    38
 assign (resid 37 and name c ) (resid 38 and name n ) 
        (resid 38 and name ca) (resid 38 and name c ) 
	(resid 39 and name n )    			  58.90 28.23
  !!    39
 assign (resid 38 and name c ) (resid 39 and name n )
        (resid 39 and name ca) (resid 39 and name c )
        (resid 40 and name n )    			  58.40 41.96
  !!    G40
 assign (resid 39 and name c ) (resid 40 and name n ) 
        (resid 40 and name ca) (resid 40 and name c )  
	(resid 41 and name n )   			  48.60 0.00
  !!    41
 assign (resid 40 and name c ) (resid 41 and name n ) 
        (resid 41 and name ca) (resid 41 and name c )  
	(resid 42 and name n )   			  60.67 38.10
  !!    42
 assign (resid 41 and name c ) (resid 42 and name n ) 
        (resid 42 and name ca) (resid 42 and name c ) 
	(resid 43 and name n )    			  59.29 29.15
  !!    43
 assign (resid 42 and name c ) (resid 43 and name n ) 
        (resid 43 and name ca) (resid 43 and name c )
	(resid 44 and name n )     			  60.02 29.81
  !!    44
 assign (resid 43 and name c ) (resid 44 and name n ) 
        (resid 44 and name ca) (resid 44 and name c ) 
	(resid 45 and name n )    			  58.75 32.36
  !!    45
 assign (resid 44 and name c ) (resid 45 and name n ) 
        (resid 45 and name ca) (resid 45 and name c )
	(resid 46 and name n )     			  55.22 32.90
  !!    46
 assign (resid 45 and name c ) (resid 46 and name n ) 
        (resid 46 and name ca) (resid 46 and name c )
	(resid 47 and name n )     			  55.25 42.77
  !!    47
 assign (resid 46 and name c ) (resid 47 and name n ) 
        (resid 47 and name ca) (resid 47 and name c )
	(resid 48 and name n )     			  61.30 71.50
  !!    48
 assign (resid 47 and name c ) (resid 48 and name n ) 
        (resid 48 and name ca) (resid 48 and name c )
	(resid 49 and name n )     			  60.52 29.30
  !!    49
 assign (resid 48 and name c ) (resid 49 and name n ) 
        (resid 49 and name ca) (resid 49 and name c ) 
	(resid 50 and name n )    			  55.05 18.51
  !!    50
 assign (resid 49 and name c ) (resid 50 and name n ) 
        (resid 50 and name ca) (resid 50 and name c )
	(resid 51 and name n )     			  58.56 31.50
  !!    51
 assign (resid 50 and name c ) (resid 51 and name n ) 
        (resid 51 and name ca) (resid 51 and name c )
	(resid 52 and name n )     			  59.06 34.13
  !!    52
 assign (resid 51 and name c ) (resid 52 and name n ) 
        (resid 52 and name ca) (resid 52 and name c ) 
	(resid 53 and name n )    			  62.80 27.67
  !!    53
 assign (resid 52 and name c ) (resid 53 and name n ) 
        (resid 53 and name ca) (resid 53 and name c ) 
	(resid 54 and name n )    			  66.01 31.11
  !!    54
 assign (resid 53 and name c ) (resid 54 and name n )
        (resid 54 and name ca) (resid 54 and name c )
	(resid 55 and name n )     			  61.76 38.28
  !!    55
 assign (resid 54 and name c ) (resid 55 and name n )
        (resid 55 and name ca) (resid 55 and name c ) 
	(resid 56 and name n )    			  62.80 38.82
  !!    56
 assign (resid 55 and name c ) (resid 56 and name n ) 
        (resid 56 and name ca) (resid 56 and name c )
	(resid 57 and name n )     			  59.40 28.43
  !!    57
 assign (resid 56 and name c ) (resid 57 and name n ) 
        (resid 57 and name ca) (resid 57 and name c )
	(resid 58 and name n )     			  59.31 29.45
  !!    58
 assign (resid 57 and name c ) (resid 58 and name n )
        (resid 58 and name ca) (resid 58 and name c )
	(resid 59 and name n )     			  55.63 17.91
  !!    59
 assign (resid 58 and name c ) (resid 59 and name n ) 
        (resid 59 and name ca) (resid 59 and name c )
	(resid 60 and name n )     			  59.51 28.34
  !!    60
 assign (resid 59 and name c ) (resid 60 and name n ) 
        (resid 60 and name ca) (resid 60 and name c )
	(resid 61 and name n )     			  59.80 32.15
  !!    61
 assign (resid 60 and name c ) (resid 61 and name n ) 
        (resid 61 and name ca) (resid 61 and name c )
	(resid 62 and name n )     			  58.03 41.71
  !!    62
 assign (resid 61 and name c ) (resid 62 and name n ) 
        (resid 62 and name ca) (resid 62 and name c ) 
	(resid 63 and name n )    			  59.47 28.34
  !!    63
 assign (resid 62 and name c ) (resid 63 and name n ) 
        (resid 63 and name ca) (resid 63 and name c )
	(resid 64 and name n )     			  55.47 17.97
  !!    64
 assign (resid 63 and name c ) (resid 64 and name n ) 
        (resid 64 and name ca) (resid 64 and name c )
	(resid 65 and name n )     			  58.73 33.28
  !!    65
 assign (resid 64 and name c ) (resid 65 and name n ) 
        (resid 65 and name ca) (resid 65 and name c ) 
	(resid 66 and name n )    			  61.02 31.87
  !!    66
 assign (resid 65 and name c ) (resid 66 and name n ) 
        (resid 66 and name ca) (resid 66 and name c )
	(resid 67 and name n )     			  58.38 30.40
  !!    67
 assign (resid 66 and name c ) (resid 67 and name n )
        (resid 67 and name ca) (resid 67 and name c )
	(resid 68 and name n )     			  58.51 30.14
  !!    68
 assign (resid 67 and name c ) (resid 68 and name n )
        (resid 68 and name ca) (resid 68 and name c )
        (resid 69 and name n )     			  58.13 33.45
  !!    69
   !!    70
  !!    71
  !!    72
  !!    73
 assign (resid 72 and name c ) (resid 73 and name n ) 
        (resid 73 and name ca) (resid 73 and name c )
	(resid 74 and name n )    			  54.94 34.76
  !!    74
  !!    75
 assign (resid 74 and name c ) (resid 75 and name n )
        (resid 75 and name ca) (resid 75 and name c )
        (resid 76 and name n )                            53.16 31.11
  !!    76
 assign (resid 75 and name c ) (resid 76 and name n )
        (resid 76 and name ca) (resid 76 and name c ) 
	(resid 77 and name n )  			  62.92 32.34
  !!    77
 assign (resid 76 and name c ) (resid 77 and name n )
        (resid 77 and name ca) (resid 77 and name c )
	(resid 78 and name n )     			  56.80 30.82
  !!    78
 assign (resid 77 and name c ) (resid 78 and name n )
        (resid 78 and name ca) (resid 78 and name c )
	(resid 79 and name n )     			  57.32 32.04


(E) 1H, 15N and 13C chemical shift assignments

# Assignment Table: /spam4/jhuth/sry/srycomplex_shifts_pipp_flip4352
#    Path:	/tm/net/spam4/jhuth/sry/noe13cdec
#    User:	jhuth
#    Date:	Wed Jan 11 21:41:47 1995

SHIFT_FL_FRMT		RES_SIAD 
FIRST_RES_IN_SEQ	1

EXP_PEAK_PICK_TBL
	Label   Exp Par Fl            Peak-Pick Fl          #-Cross-Ref
	 A        ft/cbcaconh           cbcaconh_stapp         884
	 B        hsqc.DAT              HSQC_stapp             130
	 C        ft/hnca               hnca_stapp             294
	 D        ft/cbcanh             cbcanh_stapp           566
	 E        n15noe                n15noe                   0
	 F        n15noe                sry_model              572
	 G        ft2/c13c12noeds       ft2/c13c12noeds        276
	 H        ft/cnoe               ft/cnoe                  6
	 I        noesyirr2.DAT         noesyirr2.DAT            4
	 J        ft/4dchnoe            4dchnoe139               4
	 K        ft/4dchnoe            4dc13c13noe_3678         0
	 L        ft/4dchnoe            4dchnoe_139            338
	 M        ft/4dchnoe            4dchnoe_4078           127
	 N        c13noe                c13noe                   0
	 O        noesy11leftdec.DAT    noesy11dec               0
	 P        noesy11leftdec.DAT    noesy11decflip         131
	 Q        ft/n15noe             sry_model_mflip         93
	 R        /spree2/jhuth/sry/ft/c13noe  3dc13noe_mflip         284
	 S        noesyirr180.DAT       noesyirr180flip          0
	 T        noesyirr2.DAT         noesyirr2flip          114
	 U        ft/4dchnoe            4dchnoe_139flip        168
	 V        noesynoc185.DAT       bentdnarnum            114
	 W        ft/n15c12noe          n15c12noe                0
	 X        noesynoc752.DAT       bentdna752             188
	 Y        noe13cdec.DAT         noe13cdec                0

RES_ID		3
RES_TYPE	ASP
PREV_TYPE	CYS(36.7)  GLN(32.3)  GLU(17.6)  TRP(7.8)  ARG(5.7)  
SPIN_SYSTEM_ID	32
HETEROGENEITY	100
   HN  8.4352 (A.404 A.405 D.100 D.99) 
   N  120.6879 (A.404 A.405 D.100 D.99) 
   CA  54.7602 (D.99 -L.1 -L.3 -L.2) 
   HA  4.6200 (-L.1 -L.3 -L.2) 
   CB  41.4980 (D.100 -J.1 -L.6) 
   HB1|2  2.6350 (-J.1 -L.6) 
   HB1|2  2.7090 (-L.6) 
END_RES_DEF

RES_ID		4
RES_TYPE	ARG
PREV_TYPE	ASP(40.0)  LEU(32.6)  PHE(12.7)  TYR(12.0)  
SPIN_SYSTEM_ID	27
HETEROGENEITY	100
   HN  8.2450 (A.311 A.312 D.92 D.91 D.90) 
   N  120.9950 (A.311 A.312 D.92 D.91 D.90) 
   CA  55.9900 (-L.21 -L.26) 
   HA  4.4060 (-F.4 -L.21 -L.26) 
   CB  31.3746 (D.92 -L.21 -L.28 -L.233 -G.122) 
   HB1|2  1.8200 (-L.21 -L.28 -L.233 -G.122) 
   CG  27.2200 (-L.28 -L.26 -L.184) 
   HG1|2  1.5860 (-F.1 -F.7 -L.28 -L.26 -L.184) 
   CD  43.3500 (-L.29 -L.233 -L.184) 
   HD1|2  3.1870 (-L.29 -L.233 -L.184) 
   HD1|2  3.2770
END_RES_DEF

RES_ID		5
RES_TYPE	VAL
PREV_TYPE	ARG(18.3)  GLU(14.9)  TRP(13.6)  CYS(13.0)  HIS(12.6)  \
		LYS(9.9)  MET(9.8)  GLN(6.8)  
SPIN_SYSTEM_ID	7
HETEROGENEITY	100
   HN  \
             8.2622 (A.274 A.275 B.7 C.12 C.13 D.32 D.31 D.34 D.33 -F.1 -F.4 -F.5 -F.6 -F.7 -F.8 -F.9) 
   N  \
             124.8363 (A.274 A.275 B.7 C.12 C.13 D.32 D.31 D.34 D.33 -F.1 -F.4 -F.5 -F.6 -F.7 -F.8 -F.9) 
   CA  62.7100 (C.12 D.34 -L.46) 
   HA  3.8300 (-F.5 -F.12 -L.46) 
   CB  32.1274 (D.32 -L.35 -L.36 -L.49 -L.43 -L.544 -R.511 -R.512 -R.513) 
   HB  1.8160 (-F.6 -L.35 -L.36 -L.49 -L.43 -L.544 -R.511 -R.512 -R.513) 
   CG1|2  21.3100 (-R.396 -R.400 -G.27) 
   HG1#|2#  \
             0.6560 (-F.8 -F.17 -L.35 -L.46 -L.47 -L.48 -L.49 -R.512 -R.396 -R.400) 
   CG1|2  21.2800 (-L.35 -L.36 -L.46 -L.47 -L.48 -L.49 -G.27) 
   HG1#|2#  0.2510 (-F.9 -F.18 -L.36 -L.48 -G.27 -R.511) 
END_RES_DEF

RES_ID		6
RES_TYPE	LYS
PREV_TYPE	PRO(52.1)  VAL(47.9)  
SPIN_SYSTEM_ID	1
HETEROGENEITY	100
   HN  \
             8.2601 (A.261 A.262 B.1 C.2 C.1 D.3 D.4 D.1 D.2 -F.10 -F.11 -F.12 -F.13 -F.14 -F.16 -F.17 -F.18) 
   N  \
             127.3943 (A.261 A.262 B.1 C.2 C.1 D.3 D.4 D.1 D.2 -F.10 -F.11 -F.12 -F.13 -F.14 -F.16 -F.17 -F.18) 
   CA  56.3060
   HA  4.4530 (-F.11 -F.19) 
   CB  34.6584 (-G.96 -U.1008) 
   HB1|2  1.7540 (-F.13 -G.96) 
   HB1|2  1.5800 (-U.1008) 
   CG  26.1900 (-L.54 -L.55 -G.16 -G.15 -G.17 -G.18) 
   HG1|2  1.5940 (-F.14 -F.16 -L.54 -L.55 -G.16 -G.15 -G.17 -G.18) 
   CD  29.6600 (-L.64) 
   HD1|2  1.8720 (-L.64) 
   CE  42.1600 (-L.55 -L.64 -L.73 -L.74 -L.75 -G.55) 
   HE1|2  3.0960 (-L.55 -L.64 -L.73 -L.74 -L.75 -G.55) 
   HE1|2  3.1500
END_RES_DEF

RES_ID		7
RES_TYPE	ARG
PREV_TYPE	LYS(41.1)  TRP(21.7)  MET(19.6)  ARG(7.0)  GLU(5.7)  
SPIN_SYSTEM_ID	34
HETEROGENEITY	100
   HN  7.6260 (A.323 A.324 B.41 D.113 D.116 D.123 D.124 -F.10 -F.19 -F.21) 
   N  120.2770 (A.323 A.324 B.41 D.113 D.116 D.123 D.124 -F.19 -F.21) 
   CA  55.1730 (D.116) 
   HA  4.0690
   CB  29.5155 (D.123 -U.1008 -G.198 -G.199) 
   HB1|2  1.7310 (-F.21 -U.1008 -G.198 -G.199) 
   CG  27.3300 (-L.442 -L.183 -L.511 -L.527 -G.204 -G.135) 
   HG1|2  1.6660 (-L.442 -L.183 -L.511 -L.527 -G.204 -G.135) 
   CD  43.1200
   HD1|2  3.2580
END_RES_DEF

RES_ID		8
RES_TYPE	PRO
SPIN_SYSTEM_ID	98
HETEROGENEITY	100
   CA  61.9300
   HA  4.3970 (-F.23) 
   CB  31.5700 (-L.183) 
   HB1|2  1.8780 (-F.28) 
   HB1|2  1.8190 (-L.183) 
   CG  27.1500
   HG1|2  1.6970
   CD  49.4600
   HD1|2  3.3500 (-R.467) 
   HD1|2  3.4900
END_RES_DEF

RES_ID		9
RES_TYPE	MET
PREV_TYPE	VAL(44.4)  PRO(40.6)  TRP(8.1)  LYS(7.0)  
SPIN_SYSTEM_ID	38
HETEROGENEITY	100
   HN  \
             7.8648 (A.333 A.334 B.35 C.65 C.64 D.128 D.127 D.126 D.129 -F.23 -F.24 -F.25 -F.27 -F.28) 
   N  \
             119.8378 (A.333 A.334 B.35 C.65 C.64 D.128 D.127 D.126 D.129 -F.23 -F.24 -F.25 -F.27 -F.28) 
   CA  56.6660 (C.64 D.126 -G.121) 
   HA  4.2010 (-F.24 -F.33 -G.90 -G.121) 
   CB  36.4899 (D.127 -M.2348) 
   HB1|2  1.9330 (-M.2348) 
   CG  33.0990 (-U.834) 
   HG1|2  2.6360 (-F.25 -U.834) 
   HG1|2  2.5650
   CE  17.43
   HE#  2.06
END_RES_DEF

RES_ID		10
RES_TYPE	ASN
PREV_TYPE	ASN(47.0)  LYS(15.4)  TYR(13.1)  PHE(11.4)  MET(7.0)  \
		TRP(6.0)  
SPIN_SYSTEM_ID	45
HETEROGENEITY	100
   HN  \
             8.1931 (A.346 A.347 B.42 C.78 C.79 D.147 D.154 D.150 D.151 -F.33 -Q.651 -Q.654 -P.135) 
   N  \
             119.0056 (A.346 A.347 B.42 C.78 C.79 D.147 D.154 D.150 D.151 -F.33 -Q.651 -Q.654) 
   CA  51.4770 (C.79 D.150) 
   HA  5.0380 (-R.546) 
   CB  38.3462 (-R.546 -G.77 -G.79 -G.81) 
   HB1|2  3.1950 (-Q.654 -G.77 -G.79 -G.81) 
   HB1|2  2.9660 (-R.546) 
   ND2  116.4500
   HD21|2  6.8900
   HD21|2  7.4300
END_RES_DEF

RES_ID		11
RES_TYPE	ALA
PREV_TYPE	ASN(93.1)  ASP(6.9)  
SPIN_SYSTEM_ID	54
HETEROGENEITY	100
   HN  \
             8.6381 (A.364 A.365 B.45 C.98 C.97 D.182 D.183 D.184 -F.37 -F.40 -F.43 -F.44) 
   N  117.2900 (A.364 A.365 B.45 C.98 C.97 D.182 D.183 D.184 -F.37 -F.40 -F.43) 
   CA  56.2380 (C.97 D.184 -M.2354 -R.461 -R.463) 
   HA  3.5520 (-F.40 -M.2354 -Q.763 -Q.62 -R.440 -R.461 -R.463 -R.483) 
   CB  \
             19.6349 (-L.436 -G.29 -G.30 -R.480 -R.482 -R.483 -R.484 -R.485 -R.486 -R.487 -G.176) 
   HB#  \
             0.6630 (-F.43 -F.49 -L.436 -G.29 -G.30 -R.461 -R.62 -R.480 -R.482 -R.483 -R.484 -R.485 -R.486 -R.487 -G.176) 
END_RES_DEF

RES_ID		12
RES_TYPE	PHE
PREV_TYPE	ALA(100.0)  
SPIN_SYSTEM_ID	71
HETEROGENEITY	100
   HN  \
             7.2029 (A.398 A.399 B.67 C.125 C.126 D.239 D.238 D.237 -F.37 -F.44 -F.45 -F.46 -F.48 -F.49 -F.52 -P.115 -T.21) 
   N  \
             113.5299 (A.398 A.399 B.67 C.125 C.126 D.239 D.238 D.237 -F.44 -F.45 -F.46 -F.48 -F.49) 
   CA  59.8590 (C.125 D.237) 
   HA  2.6110 (-F.46 -F.72 -P.123 -P.121) 
   CB  38.4313 (D.238 -G.82) 
   HB1|2  1.6710 (-F.48 -G.82 -Q.651 -R.371) 
   HB1|2  1.6300 (-G.82 -P.39) 
   CD1  123.6600 (-U.918 -R.62 -R.472 -R.479) 
   HD1  \
             6.5900 (-U.918 -R.62 -R.472 -R.479 -R.485 -R.527 -P.79 -P.12 -T.31 -T.36 -T.51 -T.74) 
   CE1  122.4300
   HE1  5.5400 (-P.15 -T.51) 
END_RES_DEF

RES_ID		13
RES_TYPE	ILE
PREV_TYPE	TYR(34.8)  PHE(33.6)  ILE(28.5)  
SPIN_SYSTEM_ID	10
HETEROGENEITY	100
   HN  \
             7.6703 (A.280 A.281 B.12 C.21 D.42 D.43 -F.45 -F.51 -F.52 -F.53 -F.55 -F.56 -F.57 -F.58 -F.59 -F.60 -T.21) 
   N  \
             123.2709 (A.280 A.281 B.12 C.21 D.42 D.43 -F.51 -F.52 -F.53 -F.55 -F.56 -F.57 -F.58 -F.59) 
   CA  61.3880 (C.21 D.43 -U.674 -R.475 -R.488) 
   HA  2.8370 (-F.53 -P.120 -U.674 -R.475 -R.488 -R.501) 
   CB  34.2177
   HB  1.7670 (-F.55 -F.64 -R.450 -R.500 -V.467) 
   CG1  25.9200 (-G.19 -G.21 -R.509) 
   HG11|2  1.1530 (-F.56 -F.65 -G.19 -R.454 -R.499) 
   HG11|2  0.6740 (-F.57 -G.21 -R.490 -R.509) 
   CG2  \
             17.5400 (-G.59 -G.60 -G.61 -G.62 -G.63 -G.64 -G.52 -U.918 -R.450 -R.454 -R.455 -R.457 -G.186) 
   HG2#  \
             0.2260 (-F.58 -F.67 -G.59 -G.60 -G.61 -G.62 -G.63 -G.64 -G.52 -U.918 -R.450 -R.454 -R.455 -R.457 -R.488 -R.498 -G.186 -T.70) 
   CD  5.4600 (-G.1 -G.2 -H.12 -H.13 -R.490 -R.498 -R.499 -R.500 -R.501) 
   HD11  \
             -1.0300 (-F.59 -G.1 -G.2 -H.12 -H.13 -I.1 -I.2 -R.457 -R.475 -R.490 -R.498 -R.499 -R.500 -R.501 -R.509 -P.135 -P.134 -P.136 -P.137) 
END_RES_DEF

RES_ID		14
RES_TYPE	VAL
PREV_TYPE	VAL(49.8)  PRO(47.3)  
SPIN_SYSTEM_ID	48
HETEROGENEITY	100
   HN  \
             8.3823 (A.352 A.353 B.43 C.84 C.83 D.158 D.157 D.159 -F.51 -F.60 -F.61 -F.63 -F.64 -F.65 -F.66 -F.67 -F.68 -Q.62 -P.134) 
   N  \
             118.3727 (A.352 A.353 B.43 C.84 C.83 D.158 D.157 D.159 -F.60 -F.61 -F.63 -F.64 -F.65 -F.66 -F.67 -Q.62) 
   CA  67.0710 (C.84 D.157 -M.2352 -U.335 -U.135) 
   HA  3.3710 (-F.61 -F.70 -F.92 -M.82 -M.2352 -U.335 -U.135) 
   CB  32.2972 (D.158 D.159 -M.2353 -U.336 -U.138 -U.921) 
   HB  2.1840 (-F.63 -F.74 -M.2353 -U.336 -U.138 -U.921) 
   CG1|2  22.3000 (-U.142 -U.840 -U.839 -R.130 -R.129 -R.132 -R.133 -U.990) 
   HG1#|2#  1.1710 (-U.142 -U.839 -R.130 -R.129 -R.132 -R.133 -U.990) 
   CG1|2  \
             23.8600 (-M.2332 -M.2348 -M.2351 -M.2352 -M.2353 -M.2354 -U.336 -U.335 -U.841 -U.408 -U.337 -U.990) 
   HG1#|2#  \
             0.9310 (-F.66 -F.76 -M.2332 -M.2348 -M.2351 -M.2352 -M.2353 -M.2354 -U.336 -U.335 -U.840 -U.841 -U.408 -U.337 -R.455 -U.990 -P.41) 
END_RES_DEF

RES_ID		15
RES_TYPE	TRP
PREV_TYPE	PRO(64.2)  VAL(35.8)  
SPIN_SYSTEM_ID	30
HETEROGENEITY	100
   HN  \
             7.7341 (A.317 A.318 B.33 C.53 C.52 D.104 D.103 -F.68 -F.69 -F.70 -F.71 -F.72 -F.74 -F.76 -F.77) 
   N  \
             120.6221 (A.317 A.318 B.33 C.53 C.52 D.104 D.103 -F.68 -F.69 -F.70 -F.71 -F.72 -F.74 -F.76) 
   CA  61.0650 (C.52 D.103) 
   HA  3.6500 (-F.69 -F.81 -R.133 -R.67) 
   CB  29.6379 (D.104) 
   HB1|2  2.7940 (-F.71 -P.33 -R.68) 
   CD1  128.0000 (-R.67 -R.68) 
   HD1  5.7700 (-R.67 -R.68) 
   NE1  109.6063
   HE1  \
             10.2400 (-P.80 -P.13 -P.15 -P.8 -P.81 -P.10 -P.12 -P.123 -P.40 -P.41 -P.47) 
   CE3  124.9500
   HE3  7.3000
   CZ3  114.7200 (-U.958 -U.959 -U.966) 
   HZ3  7.5700 (-P.2 -T.17 -U.958 -U.959 -U.966 -R.219 -T.27 -T.31) 
   CZ2  121.1800
   HZ2  7.7600 (-T.10 -T.13 -R.449 -R.503) 
   CH2  122.2900 (-U.603) 
   HH2  7.2200 (-T.28 -U.603 -T.96) 
END_RES_DEF

RES_ID		16
RES_TYPE	SER
SPIN_SYSTEM_ID	88
HETEROGENEITY	100
   N  \
             111.1906 (B.71 C.129 D.248 D.249 D.251 -F.77 -F.78 -F.80 -F.81 -F.83 -Q.85 -Q.82) 
   HN  \
             8.4276 (B.71 C.129 D.248 D.249 D.251 -F.77 -F.78 -F.80 -F.81 -F.83 -F.88 -Q.85 -Q.82 -T.95) 
   CA  61.2730 (C.129 D.248) 
   HA  4.3680 (-F.80 -F.90) 
   CB  63.0930 (D.249) 
   HB1|2  2.8860 (-F.83 -F.94) 
   HB1|2  2.6900
END_RES_DEF

RES_ID		17
RES_TYPE	ARG
PREV_TYPE	SER(100.0)  
SPIN_SYSTEM_ID	15
HETEROGENEITY	100
   HN  \
             7.2627 (A.289 A.290 B.16 C.28 C.27 D.62 D.61 -F.78 -F.88 -F.89 -F.90 -F.91 -F.92 -F.93 -F.94 -F.95 -F.97 -F.99) 
   N  \
             121.9180 (A.289 A.290 B.16 C.28 C.27 D.62 D.61 -F.88 -F.89 -F.90 -F.91 -F.92 -F.93 -F.94 -F.95 -F.97) 
   CA  60.7210 (C.27 D.61 -U.887 -G.92 -G.93) 
   HA  3.7320 (-F.91 -U.887 -G.92 -G.93) 
   CB  30.0250 (D.62 -L.449) 
   HB1|2  1.8550 (-F.95 -F.104 -L.449) 
   CG  27.3300 (-U.138) 
   HG1|2  1.5850 (-F.97 -U.138) 
   CD  44.2800 (-G.28) 
   HD1|2  3.1730 (-F.93 -G.28) 
END_RES_DEF

RES_ID		18
RES_TYPE	ASP
PREV_TYPE	TRP(43.8)  GLU(15.0)  ARG(15.0)  CYS(11.3)  VAL(5.5)  
SPIN_SYSTEM_ID	65
HETEROGENEITY	100
   HN  \
             7.6658 (A.386 A.387 B.62 C.113 C.114 D.215 D.216 D.219 -F.89 -F.98 -F.99 -F.100 -F.103 -F.104 -F.106) 
   N  \
             115.4826 (A.386 A.387 B.62 C.113 C.114 D.215 D.216 D.219 -F.98 -F.99 -F.100 -F.103 -F.104) 
   CA  56.0720 (C.113 D.216) 
   HA  4.5810 (-F.100 -F.108 -F.131 -F.139 -R.405) 
   CB  41.0544 (D.215) 
   HB1|2  2.5730 (-F.103 -F.111 -Q.142) 
END_RES_DEF

RES_ID		19
RES_TYPE	GLN
PREV_TYPE	ASP(29.6)  PHE(26.4)  TYR(25.3)  LEU(18.7)  
SPIN_SYSTEM_ID	53
HETEROGENEITY	100
   HN  \
             6.7159 (A.362 A.363 B.48 C.93 C.94 D.172 D.179 D.178 D.181 D.180 -F.98 -F.106 -F.107 -F.108 -F.109 -F.111 -F.113 -F.114 -F.115 -F.116 -F.117 -T.95) 
   N  \
             117.4625 (A.362 A.363 B.48 C.93 C.94 D.172 D.179 D.178 D.181 D.180 -F.106 -F.107 -F.108 -F.109 -F.111 -F.113 -F.114 -F.115 -F.116) 
   CA  57.2770 (C.93 D.181 -G.115) 
   HA  3.7730 (-F.109 -F.119 -F.140 -G.115) 
   CB  28.1604 (D.178) 
   HB1|2  1.3800 (-F.114 -F.125) 
   HB1|2  0.7330 (-F.115 -F.126) 
   CG  31.4470
   HG1|2  0.9550 (-F.116 -Q.148 -Q.249) 
   HG1|2  1.5260 (-F.113 -P.40) 
   NE2  111.2400
   HE21|2  7.0270 (-P.10 -T.23) 
   HE21|2  6.6240
END_RES_DEF

RES_ID		20
RES_TYPE	ARG
PREV_TYPE	GLN(26.6)  CYS(23.0)  HIH(21.2)  GLU(12.6)  ARG(7.0)  \
		TRP(6.4)  
SPIN_SYSTEM_ID	37
HETEROGENEITY	100
   HN  \
             8.4480 (A.328 A.329 B.25 C.62 C.63 D.121 D.122 D.119 D.120 -F.107 -F.117 -F.118 -F.119 -F.120 -F.122 -F.123 -F.125 -F.126 -F.129 -F.138) 
   N  \
             120.1333 (A.328 A.329 B.25 C.62 C.63 D.121 D.122 D.119 D.120 -F.117 -F.118 -F.119 -F.120 -F.122 -F.123 -F.125 -F.126) 
   CA  60.3410 (C.62 D.119 -L.502) 
   HA  3.6010 (-F.120 -F.132 -F.153 -F.166 -L.502 -R.443) 
   CB  30.6022 (D.121 -L.425) 
   HB1|2  1.7740 (-F.123 -F.134 -Q.169) 
   HB1|2  1.8860 (-F.122 -L.425) 
   CG  27.0220 (-U.470 -G.134) 
   HG1|2  1.5980 (-U.470 -G.134) 
   CD  43.5700 (-U.135) 
   HD1|2  3.2000
   HD1|2  3.2730 (-U.135 -Q.82) 
END_RES_DEF

RES_ID		21
RES_TYPE	ARG
PREV_TYPE	TRP(36.8)  ARG(17.5)  GLU(13.4)  LYS(11.3)  VAL(6.4)  \
		CYS(5.9)  
SPIN_SYSTEM_ID	61
HETEROGENEITY	100
   HN  \
             7.1846 (A.378 A.379 B.54 C.108 C.107 D.205 D.204 D.203 -F.118 -F.128 -F.129 -F.130 -F.131 -F.132 -F.133 -F.134 -F.137) 
   N  \
             116.4903 (A.378 A.379 B.54 C.108 C.107 D.205 D.204 D.203 -F.128 -F.129 -F.130 -F.131 -F.132 -F.133 -F.134) 
   CA  59.3860 (C.107 D.203 -M.2342 -U.848) 
   HA  3.9230 (-F.130 -M.2342 -U.848) 
   CB  29.9402 (D.205) 
   HB1|2  1.9080 (-F.133 -F.144) 
   CG  27.3900
   HG1|2  1.6420
   CD  43.1200
   HD1|2  3.2470
END_RES_DEF

RES_ID		22
RES_TYPE	LYS
PREV_TYPE	ARG(26.1)  GLU(23.0)  TRP(22.9)  CYS(11.9)  HIS(5.4)  \
		GLN(5.2)  
SPIN_SYSTEM_ID	47
HETEROGENEITY	100
   HN  \
             7.3031 (A.350 A.351 B.46 C.82 D.155 D.156 -F.128 -F.136 -F.137 -F.138 -F.139 -F.140 -F.141 -F.143 -F.144 -F.146 -F.147 -F.149 -Q.142 -Q.148) 
   N  \
             118.5753 (A.350 A.351 B.46 C.82 D.155 D.156 -F.136 -F.137 -F.138 -F.139 -F.140 -F.141 -F.143 -F.144 -F.146 -F.147 -Q.142 -Q.148) 
   CA  59.6450 (C.82 D.155 -M.2339) 
   HA  3.9330 (-F.141 -F.177 -M.2339) 
   CB  32.8096 (D.156 -L.39 -L.40 -L.38) 
   HB1|2  1.7950 (-F.143 -F.157 -L.39 -L.40 -L.38) 
   CG  24.9900 (-G.23) 
   HG1|2  1.3050 (-F.147 -F.159 -G.23) 
   HG1|2  1.4870 (-F.146) 
   CD  29.2800
   HD1|2  1.6300
   CE  41.8600 (-L.313 -L.39) 
   HE1|2  2.9740 (-L.313 -L.39) 
END_RES_DEF

RES_ID		23
RES_TYPE	MET
PREV_TYPE	LYS(45.1)  MET(19.9)  VAL(19.6)  PRO(9.9)  TRP(5.6)  
SPIN_SYSTEM_ID	50
HETEROGENEITY	100
   HN  \
             8.1410 (A.356 A.357 B.50 C.89 C.88 D.169 D.165 -F.136 -F.149 -F.150 -F.153 -F.154 -F.156 -F.157 -F.159) 
   N  \
             117.5892 (A.356 A.357 B.50 C.89 C.88 D.169 D.165 -F.149 -F.150 -F.153 -F.154 -F.156 -F.157 -F.159) 
   CA  58.9230 (C.88 -L.455 -U.279 -U.366 -U.856) 
   HA  4.1270 (-F.150 -L.455 -U.279 -U.366 -U.856 -R.528) 
   CB  32.9100
   HB1|2  1.9250 (-F.156) 
   CG  \
             32.3500 (-L.435 -M.2310 -M.961 -M.2327 -M.2329 -M.957 -M.2332 -M.2333 -U.638 -U.640) 
   HG1|2  2.5940 (-F.154 -M.2310 -M.961 -Q.244) 
   HG1|2  2.6430 (-L.435 -M.2327 -M.2329 -M.957 -M.2332 -M.2333 -U.638 -U.640) 
   CE  17.4400 (-L.333 -L.435 -L.436 -L.437 -L.506 -L.38 -U.828 -U.307) 
   HE#  2.0800 (-L.333 -L.435 -L.436 -L.437 -L.506 -L.38 -U.828 -U.307 -Q.765) 
END_RES_DEF

RES_ID		24
RES_TYPE	ALA
PREV_TYPE	LYS(40.4)  MET(33.8)  TRP(8.3)  VAL(8.3)  
SPIN_SYSTEM_ID	26
HETEROGENEITY	100
   HN  \
             8.0764 (A.309 A.310 B.28 C.45 C.44 D.84 D.87 D.263 -F.162 -F.164 -F.166 -F.171 -F.174 -Q.169) 
   N  \
             120.9694 (A.309 A.310 B.28 C.45 C.44 D.84 D.87 D.263 -F.162 -F.164 -F.166 -F.171 -Q.169) 
   CA  54.7580 (C.44 D.87) 
   HA  4.0580 (-F.164) 
   CB  19.0518 (D.84 -L.448 -L.385 -G.32 -G.139 -G.149 -G.150) 
   HB#  1.4360 (-F.171 -F.181 -L.448 -L.385 -G.32 -G.139 -G.149 -G.150) 
END_RES_DEF

RES_ID		25
RES_TYPE	LEU
PREV_TYPE	ALA(100.0)  
SPIN_SYSTEM_ID	56
HETEROGENEITY	100
   HN  \
             7.5859 (A.368 A.369 C.99 D.191 D.188 D.187 D.189 -F.162 -F.174 -F.176 -F.177 -F.180 -F.179 -F.181 -F.183) 
   N  \
             117.1586 (A.368 A.369 C.99 D.191 D.188 D.187 D.189 -F.174 -F.176 -F.177 -F.180 -F.179 -F.181 -F.183) 
   CA  57.2768 (D.191 -L.319 -L.326 -M.2341) 
   HA  4.0660 (-F.176 -L.319 -L.326 -M.2341 -R.529 -R.528) 
   CB  \
             42.3981 (D.188 -L.313 -L.319 -L.322 -L.323 -L.40 -M.2336 -M.2337 -M.2344 -M.2345 -R.528 -R.529) 
   HB1|2  1.8570 (-F.179 -L.313 -L.323 -M.2336 -M.2344 -R.529) 
   HB1|2  \
             1.6370 (-F.180 -F.105 -L.319 -L.322 -L.323 -L.40 -M.2337 -M.2345 -R.528) 
   CG  27.0700 (-L.325 -L.326 -L.327 -L.329 -M.2335 -M.2343) 
   HG  1.7800 (-L.325 -L.326 -L.327 -L.329 -M.2335 -M.2343) 
   CD1|2  \
             23.5600 (-L.322 -L.327 -L.333 -M.2341 -M.2342 -M.2343 -M.2344 -M.2345 -U.638) 
   HD1#|2#  0.9010 (-F.183 -F.190 -L.322 -L.327 -L.333 -U.638) 
   CD1|2  24.9300 (-M.2335 -M.2336 -M.2337 -M.2339 -U.848) 
   HD1#|2#  \
             0.9000 (-M.2335 -M.2336 -M.2337 -M.2339 -M.2341 -M.2342 -M.2343 -M.2344 -M.2345 -U.848) 
END_RES_DEF

RES_ID		26
RES_TYPE	GLU
PREV_TYPE	LEU(45.0)  PHE(20.5)  TYR(19.2)  ASP(8.9)  ILE(6.3)  
SPIN_SYSTEM_ID	62
HETEROGENEITY	100
   HN  \
             7.6686 (A.380 A.381 B.58 C.109 D.208 D.209 D.210 -F.185 -F.187 -F.188 -F.189 -F.105 -F.190) 
   N  \
             115.9395 (A.380 A.381 B.58 C.109 D.208 D.209 D.210 -F.185 -F.187 -F.188 -F.189 -F.105 -F.190) 
   CA  57.7700 (C.109 D.210) 
   HA  4.1300 (-F.185) 
   CB  30.8189 (D.208 -L.329) 
   HB1|2  2.0680 (-F.189) 
   HB1|2  1.9380 (-L.329) 
   CG  36.8200 (-U.366 -U.858 -U.856) 
   HG1|2  2.2610 (-F.188 -U.856) 
   HG1|2  2.5000 (-F.187 -U.366 -U.858) 
END_RES_DEF

RES_ID		27
RES_TYPE	ASN
PREV_TYPE	TRP(25.3)  HIS(17.9)  ARG(16.8)  GLU(12.4)  MET(8.8)  \
		LYS(8.2)  CYS(7.8)  
SPIN_SYSTEM_ID	69
HETEROGENEITY	100
   HN  \
             7.6222 (A.392 A.393 B.65 C.122 C.121 D.226 D.234 D.232 D.233 -F.191 -F.196 -F.197 -Q.195) 
   N  \
             114.9089 (A.392 A.393 B.65 C.122 C.121 D.226 D.234 D.232 D.233 -F.191 -F.196 -F.197 -Q.195) 
   CA  51.0730 (C.122 D.233 -R.421 -R.427 -R.428 -R.534 -R.535 -R.536) 
   HA  5.1890 (-F.191 -R.421 -R.427 -R.428 -R.534 -R.535 -R.536) 
   CB  40.4239 (D.234) 
   HB1|2  2.5910 (-F.197 -R.535) 
   HB1|2  2.9170 (-F.196 -R.421 -R.428) 
   ND2  115.8400
   HD21|2  7.7100
   HD21|2  7.3440
END_RES_DEF

RES_ID		28
RES_TYPE	PRO
SPIN_SYSTEM_ID	99
HETEROGENEITY	100
   CA  64.7800 (-U.642) 
   HA  4.6190 (-F.209 -U.642) 
   CB  32.5100 (-L.385) 
   HB1|2  2.4200
   HB1|2  1.9480 (-L.385) 
   CG  27.4400 (-M.961 -U.288) 
   HG1|2  2.0580 (-M.961 -U.288 -R.536) 
   CD  50.3900
   HD1|2  3.6680 (-R.427) 
   HD1|2  3.4400 (-Q.195 -R.534) 
END_RES_DEF

RES_ID		29
RES_TYPE	ARG
PREV_TYPE	VAL(57.1)  PRO(42.9)  
SPIN_SYSTEM_ID	66
HETEROGENEITY	100
   HN  \
             8.2671 (A.388 A.389 B.61 C.118 C.117 D.221 D.220 D.223 D.222 -F.198 -F.200 -F.204 -F.205 -F.207) 
   N  \
             115.2354 (A.388 A.389 B.61 C.118 C.117 D.221 D.220 D.223 D.222 -F.198 -F.200 -F.204 -F.205) 
   CA  55.8590 (C.117 D.222 -L.26) 
   HA  4.3390 (-F.200 -F.210 -L.26) 
   CB  30.0385 (D.220 -M.2333 -G.132) 
   HB1|2  1.7890 (-F.205 -F.215 -G.132) 
   HB1|2  1.9870 (-F.204 -M.2333) 
   CG  27.6000 (-L.108 -L.26) 
   HG1|2  1.6610 (-L.108 -L.26) 
   CD  43.3400 (-L.108 -L.421) 
   HD1|2  3.2360 (-L.108 -L.421) 
END_RES_DEF

RES_ID		30
RES_TYPE	MET
PREV_TYPE	GLU(20.0)  CYS(17.4)  ARG(17.4)  GLN(14.5)  HIS(13.9)  \
		TRP(7.3)  
SPIN_SYSTEM_ID	23
HETEROGENEITY	100
   HN  \
             7.5766 (A.303 A.304 B.32 C.41 C.40 D.82 D.83 -F.198 -F.207 -F.208 -F.209 -F.210 -F.211 -F.213 -F.214 -F.215 -F.218) 
   N  \
             121.0635 (A.303 A.304 B.32 C.41 C.40 D.82 D.83 -F.207 -F.208 -F.209 -F.210 -F.211 -F.213 -F.214 -F.215) 
   CA  56.8920 (C.40 D.83 -L.325) 
   HA  4.2370 (-F.211 -F.220 -L.325) 
   CB  34.6478 (D.82 -L.425) 
   HB1|2  2.0390 (-F.214 -F.225 -L.425) 
   CG  33.2977 (-U.858 -U.642 -U.288) 
   HG1|2  2.5520 (-F.213 -F.222 -U.642 -U.288) 
   HG1|2  2.6320 (-U.858) 
   CE  17.3600 (-L.437 -G.58 -U.933) 
   HE#  2.0400 (-L.437 -G.58 -U.933) 
END_RES_DEF

RES_ID		31
RES_TYPE	ARG
PREV_TYPE	LYS(43.7)  TRP(25.3)  MET(20.4)  ARG(6.0)  
SPIN_SYSTEM_ID	8
HETEROGENEITY	100
   HN  \
             8.8053 (A.276 A.277 B.9 C.16 C.15 D.35 D.36 D.37 -F.208 -F.218 -F.220 -F.221 -F.222 -F.225) 
   N  \
             124.0065 (A.276 A.277 B.9 C.16 C.15 D.35 D.36 D.37 -F.218 -F.220 -F.221 -F.222 -F.225) 
   CA  56.0130 (C.15 D.37) 
   HA  4.3430 (-F.221) 
   CB  31.3613 (D.35) 
   HB1|2  2.1210
   HB1|2  1.7000 (-Q.247) 
   CG  27.3000 (-L.27) 
   HG1|2  1.6460 (-L.27) 
   CD  43.3300 (-L.27 -L.421) 
   HD1|2  3.2300 (-L.27 -L.421) 
END_RES_DEF

RES_ID		33
RES_TYPE	SER
SPIN_SYSTEM_ID	96
HETEROGENEITY	100
   N  125.3900
   HN  7.9700 (-T.7) 
   HA  4.6900
   CB  61.8700
   HB1|2  4.0800
   HB1|2  4.2000
END_RES_DEF

RES_ID		34
RES_TYPE	GLU
SPIN_SYSTEM_ID	13
HETEROGENEITY	100
   HN  \
             6.8770 (A.286 B.14 C.26 C.25 D.55 D.56 -F.232 -F.234 -F.235 -F.236 -F.240 -Q.234) 
   N  \
             122.1386 (A.286 B.14 C.26 C.25 D.55 D.56 -F.232 -F.234 -F.235 -F.236 -Q.234) 
   CA  58.6900 (C.25 D.56 -L.450) 
   HA  4.1750 (-F.234 -L.450) 
   CB  29.8902 (D.55 -L.290 -L.450 -L.451 -L.455 -L.534) 
   HB1|2  2.3350 (-F.235 -L.450 -L.451) 
   HB1|2  2.2420 (-F.236 -L.290 -L.455 -L.534) 
   CG  36.8600 (-L.451 -L.535 -U.887 -U.978) 
   HG1|2  2.4240 (-L.451 -L.535 -U.887 -U.978) 
END_RES_DEF

RES_ID		35
RES_TYPE	ILE
PREV_TYPE	ARG(25.0)  TRP(21.2)  GLU(20.4)  CYS(11.9)  HIS(11.4)  \
		GLN(5.2)  
SPIN_SYSTEM_ID	21
HETEROGENEITY	100
   HN  \
             8.1449 (A.299 A.300 B.19 C.35 C.34 D.73 D.74 D.76 D.75 -F.232 -F.239 -F.240 -F.243 -F.245 -F.250 -Q.249 -Q.248 -Q.765 -Q.244 -Q.241 -Q.247 -T.3) 
   N  \
             121.4568 (A.299 A.300 B.19 C.35 C.34 D.73 D.74 D.76 D.75 -F.239 -F.240 -F.243 -F.245 -Q.249 -Q.248 -Q.765 -Q.244 -Q.241 -Q.247) 
   CA  66.0380 (C.35 D.76 -U.645) 
   HA  3.7590 (-F.243 -F.256 -F.277 -U.645 -R.444 -P.26) 
   CB  37.6705 (D.74 -U.279 -U.640 -U.1006) 
   HB  2.2120 (-F.245 -F.257 -U.279 -U.640 -U.1006) 
   CG2  17.8900 (-G.51 -U.470 -R.443 -R.444) 
   HG2#  1.0540 (-G.51 -U.470 -Q.248 -R.443 -R.444) 
   CD  12.5400 (-G.84 -G.85) 
   HD11  0.9340 (-G.84 -G.85 -T.118) 
END_RES_DEF

RES_ID		36
RES_TYPE	SER
PREV_TYPE	ILE(100.0)  
SPIN_SYSTEM_ID	70
HETEROGENEITY	100
   HN  \
             8.0142 (A.396 A.397 B.66 C.124 C.123 D.235 D.236 -F.239 -F.250 -F.251 -F.254 -F.255 -F.256 -F.257 -F.262 -Q.258 -T.7) 
   N  \
             114.2067 (A.396 A.397 B.66 C.124 C.123 D.235 D.236 -F.250 -F.251 -F.254 -F.255 -F.256 -F.257 -Q.258) 
   CA  63.0000 (C.123 D.236 -G.80 -G.75 -L.489 -L.490) 
   HA  4.2770 (-F.254 -F.264 -G.80 -G.75 -L.489 -L.490 -Q.241) 
   CB  63.0400 (-G.74 -L.492) 
   HB1|2  4.1670 (-F.255 -F.263 -G.74 -L.492 -Q.234) 
END_RES_DEF

RES_ID		37
RES_TYPE	LYS
SPIN_SYSTEM_ID	43
HETEROGENEITY	100
   HN  \
             7.4904 (A.343 B.36 C.74 C.136 D.144 D.145 -F.251 -F.261 -F.262 -F.263 -F.264 -F.265 -F.267 -F.268 -F.269 -F.270 -F.272 -Q.271 -Q.266) 
   N  \
             119.2125 (A.343 B.36 C.74 C.136 D.144 D.145 -F.261 -F.262 -F.263 -F.264 -F.265 -F.267 -F.268 -F.269 -F.270 -Q.271 -Q.266) 
   CA  60.4630 (C.74 D.145 -L.501 -L.502 -G.94 -G.95) 
   HA  3.8510 (-F.265 -F.276 -L.501 -L.502 -G.94 -G.95) 
   CB  32.7795 (D.144 -L.506 -M.957 -U.933 -U.978 -G.106) 
   HB1|2  2.1180 (-F.267 -F.284 -L.506 -M.957 -U.933 -G.106) 
   HB1|2  1.9400 (-F.268 -F.285 -Q.307 -U.978) 
   CG  25.9800
   HG1|2  1.5990 (-F.270) 
   CD  30.2000 (-L.501 -L.536 -G.3) 
   HD1|2  1.7990 (-F.269 -F.286 -L.501 -L.536 -Q.258 -Q.271 -G.3) 
   HE1|2  3.0190
END_RES_DEF

RES_ID		38
RES_TYPE	GLN
PREV_TYPE	VAL(35.7)  LYS(31.1)  PRO(22.4)  MET(7.3)  
SPIN_SYSTEM_ID	46
HETEROGENEITY	100
   HN  \
             8.2396 (A.348 A.349 B.37 C.76 C.77 D.146 D.148 D.152 -F.261 -F.272 -F.274 -F.275 -F.276 -F.277 -F.278 -F.281 -F.282 -F.283 -F.284 -F.285 -F.286 -F.288 -T.1 -T.3) 
   N  \
             118.9273 (A.348 A.349 B.37 C.76 C.77 D.146 D.148 D.152 -F.272 -F.274 -F.275 -F.276 -F.277 -F.278 -F.281 -F.282 -F.283 -F.284 -F.285 -F.286) 
   CA  58.9030 (C.77 D.152 -L.448 -L.529 -R.221 -G.99) 
   HA  4.2170 (-F.275 -F.290 -L.448 -L.529 -R.221 -G.99) 
   CB  28.2377 (D.148 -M.62 -L.529 -L.530 -L.533 -U.1006) 
   HB1|2  2.2860 (-F.283 -F.292 -M.62 -L.533 -Q.266 -U.1006) 
   HB1|2  2.3400 (-F.291 -M.62 -L.529 -L.530 -L.533) 
   CG  33.6800 (-L.290 -U.828 -U.307 -U.645) 
   HG1|2  2.5290 (-F.281 -L.290) 
   HG1|2  2.6330 (-F.278 -F.282 -U.828 -U.307 -U.645) 
   NE2  111.5600
   HE21|2  7.6040
   HE21|2  6.8100
END_RES_DEF

RES_ID		39
RES_TYPE	LEU
PREV_TYPE	GLN(33.6)  CYS(27.3)  GLU(18.2)  ARG(8.1)  TRP(7.7)  
SPIN_SYSTEM_ID	40
HETEROGENEITY	100
   HN  \
             8.8524 (A.337 A.338 B.24 C.68 D.134 D.135 D.136 -F.274 -F.287 -F.288 -F.289 -F.290 -F.291 -F.292 -Q.293) 
   N  \
             119.5431 (A.337 A.338 B.24 C.68 D.134 D.135 D.136 -F.287 -F.288 -F.289 -F.290 -F.291 -F.292 -Q.293) 
   CA  58.4050 (C.68 D.136 -L.534 -L.535 -L.536) 
   HA  4.4630 (-F.289 -L.534 -L.535 -L.536 -R.519 -R.537) 
   CB  41.9664 (D.135) 
   HB1|2  2.3900 (-Q.85 -P.35) 
   CG  26.5900
   HG  2.0800 (-Q.293 -P.37) 
   CD1|2  24.5300 (-L.552 -L.556 -R.387 -R.386 -R.519) 
   HD1#|2#  \
             0.6440 (-L.552 -L.556 -P.46 -R.387 -R.386 -R.519 -R.257 -P.47 -T.74 -T.77) 
   CD1|2  27.1700
   HD1#|2#  0.7270
END_RES_DEF

RES_ID		40
RES_TYPE	GLY
PREV_TYPE	LEU(49.7)  ILE(17.1)  PHE(13.3)  TYR(12.9)  ASP(6.9)  
SPIN_SYSTEM_ID	6
HETEROGENEITY	100
   HN  8.3735 (A.272 A.273 B.5 C.10 C.9 D.11 D.12 D.258 -F.287 -T.1) 
   N  126.3174 (A.272 A.273 B.5 C.10 C.9 D.11 D.12 D.258) 
   CA  48.6360 (C.9 D.11) 
   HA1  3.8000
   HA2  4.1010 (-P.119) 
END_RES_DEF

RES_ID		41
RES_TYPE	TYR
SPIN_SYSTEM_ID	35
HETEROGENEITY	100
   HN  7.6534 (A.325 B.34 D.115 D.114 D.117 -Q.307) 
   N  120.3457 (A.325 B.34 D.115 D.114 D.117 -Q.307) 
   CA  60.6790 (C.57 D.117) 
   HA  4.3500
   CB  38.1033 (D.114 -M.13 -M.14) 
   HB1|2  3.2900 (-M.13 -M.14 -R.261) 
   CD1  133.4200 (-R.370 -R.261 -R.262 -R.537 -R.538) 
   HD1  7.2000 (-R.221 -R.370 -R.261 -R.262 -R.537 -R.538 -T.99) 
   CE1  118.2800 (-R.44) 
   HE1  6.8700 (-R.44 -T.99) 
END_RES_DEF

RES_ID		42
RES_TYPE	GLN
PREV_TYPE	ILE(33.4)  TYR(31.4)  PHE(29.6)  
SPIN_SYSTEM_ID	51
HETEROGENEITY	100
   HN  8.5699 (A.358 A.359 B.44 C.92 C.91 D.163 D.164 D.173 D.174 -Q.317) 
   N  117.5759 (A.358 A.359 B.44 C.92 C.91 D.163 D.164 D.173 D.174 -Q.317) 
   CA  59.2970 (C.91 D.164 -M.49) 
   HA  3.9540 (-M.49 -P.24) 
   CB  29.1589 (D.163 -M.49 -M.50) 
   HB1|2  2.6120 (-M.49 -M.50 -P.121 -R.262) 
   HB1|2  2.4890 (-M.50 -P.35) 
   CG  34.6300
   HG1|2  2.8960 (-Q.317 -Q.327 -R.402 -P.120) 
   HG1|2  2.6700 (-R.370) 
   NE2  108.8400
   HE21|2  6.6900 (-P.4) 
   HE21|2  7.4130
END_RES_DEF

RES_ID		43
RES_TYPE	TRP
PREV_TYPE	GLU(25.8)  CYS(20.6)  ARG(20.3)  TRP(15.8)  GLN(13.2)  
SPIN_SYSTEM_ID	24
HETEROGENEITY	100
   HN  8.7731 (A.305 A.306 B.22 C.38 C.39 D.80 D.93 -Q.763 -Q.327) 
   N  121.0293 (A.305 A.306 B.22 C.38 C.39 D.80 D.93 -Q.763 -Q.327) 
   CA  60.0250 (C.39 D.93 -M.71) 
   HA  4.6110 (-M.71) 
   CB  29.8100 (D.80 -M.82 -M.85 -R.75) 
   HB1|2  3.2560 (-M.82 -M.85 -P.32 -R.75) 
   HB1|2  3.0460
   HE1  \
             10.9700 (-P.1 -P.2 -P.3 -P.4 -P.23 -P.24 -P.25 -P.26 -P.32 -P.120 -P.33 -P.121 -P.35 -P.37 -P.38 -P.39 -P.45 -P.46 -P.79 -P.124 -P.125 -P.119) 
   NE1  110.4823
   CD1  126.6500 (-G.143 -G.167 -G.144) 
   HD1  6.7200 (-G.143 -G.167 -G.144 -Q.332 -P.4) 
   CE3  124.7700
   HE3  7.2432 (-T.19 -R.75) 
   CZ3  114.7200 (-U.959 -U.966) 
   HZ3  7.4762 (-T.16 -T.17 -T.19 -U.959 -U.966 -R.92 -R.387) 
   CH2  121.0700
   HH2  7.6491 (-P.1 -T.11 -T.13 -T.22 -T.96 -T.23) 
   CZ2  112.7100 (-U.958 -R.372 -R.371 -R.402 -R.405 -R.257 -R.527) 
   HZ2  \
             7.1083 (-P.3 -T.22 -T.28 -U.958 -R.479 -R.386 -R.372 -R.371 -R.402 -R.405 -R.257 -R.527 -T.27 -T.77) 
END_RES_DEF

RES_ID		44
RES_TYPE	LYS
PREV_TYPE	TRP(29.6)  ARG(22.1)  GLU(21.3)  CYS(12.5)  
SPIN_SYSTEM_ID	64
HETEROGENEITY	100
   HN  7.6190 (A.384 A.385 B.63 C.116 C.115 D.214 D.217 D.218 -Q.332) 
   N  115.5256 (A.384 A.385 B.63 C.116 C.115 D.214 D.217 D.218 -Q.332) 
   CA  58.7510 (C.115 D.217 -L.530) 
   HA  3.8210 (-L.530 -P.25) 
   CB  32.3636 (D.214 -L.518 -L.520 -L.521 -U.603) 
   HB1|2  2.0160
   HB1|2  1.9080 (-L.518 -L.520 -L.521 -U.603) 
   CG  26.1900 (-L.70 -G.17 -U.1007) 
   HG1|2  1.5960 (-L.70 -G.17 -P.39 -U.1007) 
   CD  29.2600 (-L.69 -L.70 -L.86 -U.1007 -G.201) 
   HD1|2  1.7800 (-L.69 -L.70 -L.86 -P.38 -U.1007 -G.201) 
   CE  42.3800 (-M.13 -M.85 -L.489 -L.492 -L.520 -M.2329 -U.674 -G.53 -G.68) 
   HE1|2  3.1050 (-M.13 -M.2329 -R.538) 
   HE1|2  3.0180 (-M.85 -L.489 -L.492 -L.520 -U.674 -G.53 -G.68) 
END_RES_DEF

RES_ID		45
RES_TYPE	MET
PREV_TYPE	LYS(36.5)  MET(35.3)  TRP(10.5)  
SPIN_SYSTEM_ID	67
HETEROGENEITY	100
   HN  7.2596 (A.390 A.391 B.64 C.120 C.119 D.231 D.229 D.230) 
   N  115.0242 (A.390 A.391 B.64 C.120 C.119 D.231 D.229 D.230) 
   CA  55.2220 (C.120 D.230 -L.552 -M.2327 -U.408) 
   HA  4.3630 (-L.552 -M.2327 -P.23 -U.408) 
   CB  32.9079 (D.231) 
   HB1|2  2.0860 (-R.44 -R.163) 
   HB1|2  1.9810
   CG  32.2900
   HG1|2  2.5240
   CE  16.9500 (-M.14 -L.443 -L.521) 
   HE#  2.1400 (-M.14 -L.443 -L.521) 
END_RES_DEF

RES_ID		46
RES_TYPE	LEU
PREV_TYPE	MET(26.1)  LYS(19.1)  ARG(13.7)  TRP(12.1)  GLU(11.2)  \
		CYS(8.1)  HIS(5.2)  
SPIN_SYSTEM_ID	19
HETEROGENEITY	100
   HN  7.0529 (A.295 A.296 B.15 C.29 D.66 D.67) 
   N  121.6224 (A.295 A.296 B.15 C.29 D.66 D.67) 
   CA  55.2510 (C.29 D.66) 
   HA  4.2800 (-R.494) 
   CB  42.7780 (D.67 -U.337 -R.139) 
   HB1|2  1.2550 (-R.491 -R.165) 
   HB1|2  1.1580 (-U.337 -R.166 -R.139) 
   CG  26.2500 (-L.69 -G.14) 
   HG  1.8350 (-L.69 -G.14 -R.492 -R.164 -R.372) 
   CD1|2  22.6400
   HD1#|2#  0.7660 (-P.45 -R.503) 
   CD1|2  \
             25.7600 (-R.491 -R.492 -R.494 -R.496 -R.503 -R.166 -R.165 -R.164 -R.163 -R.92) 
   HD1#|2#  \
             0.2690 (-R.491 -R.492 -R.494 -R.496 -R.166 -R.165 -R.164 -R.163 -R.92) 
END_RES_DEF

RES_ID		47
RES_TYPE	THR
PREV_TYPE	LEU(52.7)  PHE(18.8)  TYR(16.6)  ASP(11.9)  
SPIN_SYSTEM_ID	72
HETEROGENEITY	100
   HN  8.8518 (A.400 A.401 B.70 C.127 C.128 D.241 D.243 D.242 D.244) 
   N  112.8855 (A.400 A.401 B.70 C.127 C.128 D.241 D.243 D.242 D.244) 
   CA  61.3060 (C.127 D.242) 
   HA  4.3100
   CB  71.5011 (D.241) 
   HB  4.6770 (-P.22) 
   CG2  21.7600
   HG2#  1.4060
END_RES_DEF

RES_ID		48
RES_TYPE	GLU
PREV_TYPE	THR(100.0)  
SPIN_SYSTEM_ID	33
HETEROGENEITY	100
   HN  8.7805 (A.321 A.322 B.23 C.61 C.60 D.107 D.108 D.118) 
   N  120.3384 (A.321 A.322 B.23 C.61 C.60 D.107 D.108 D.118) 
   CA  60.5220 (C.60 D.108 -U.920 -G.156) 
   HA  3.8500 (-U.920 -R.78 -G.156) 
   CB  29.3076 (-L.457) 
   HB1|2  2.0600 (-L.457) 
   CG  36.7000 (-L.445 -L.457 -L.518 -U.920) 
   HG1|2  2.3240 (-L.445 -L.518) 
   HG1|2  2.3890 (-L.457 -U.920) 
END_RES_DEF

RES_ID		49
RES_TYPE	ALA
PREV_TYPE	TRP(31.1)  CYS(21.7)  GLU(21.6)  ARG(14.9)  GLN(6.4)  
SPIN_SYSTEM_ID	39
HETEROGENEITY	100
   HN  8.2315 (A.335 A.336 B.38 C.67 C.66 D.131 D.130 D.132 D.133) 
   N  119.6972 (A.335 A.336 B.38 C.67 C.66 D.131 D.130 D.132 D.133) 
   CA  55.0570 (C.66 D.132) 
   HA  4.1490
   CB  18.5131 (D.130 -G.42 -G.41 -G.43 -G.183 -G.184 -G.185) 
   HB#  1.4210 (-G.42 -G.41 -G.43 -G.183 -G.184 -G.185) 
END_RES_DEF

RES_ID		50
RES_TYPE	GLU
PREV_TYPE	ALA(100.0)  
SPIN_SYSTEM_ID	57
HETEROGENEITY	100
   HN  \
             7.5391 (A.370 A.371 B.53 C.102 C.101 D.190 D.193 D.192 D.194 D.195 -T.24) 
   N  116.9893 (A.370 A.371 B.53 C.102 C.101 D.190 D.193 D.192 D.194 D.195) 
   CA  58.5630 (C.102 D.195) 
   HA  4.1560
   CB  31.5048 (D.193 -L.490) 
   HB1|2  2.3400 (-L.490) 
   HB1|2  2.0780 (-P.37) 
   CG  38.3800 (-U.142 -U.840 -U.839 -U.841 -U.921 -R.449 -U.979) 
   HG1|2  2.3680 (-R.139) 
   HG1|2  2.1290 (-U.142 -U.840 -U.839 -U.841 -U.921 -R.449 -U.979) 
END_RES_DEF

RES_ID		51
RES_TYPE	LYS
PREV_TYPE	MET(24.2)  LYS(23.0)  TRP(20.0)  ARG(11.7)  HIS(7.8)  \
		GLU(5.7)  
SPIN_SYSTEM_ID	63
HETEROGENEITY	100
   HN  7.7873 (A.382 A.383 B.60 C.112 C.110 D.212 D.211 D.213 -T.8 -T.24) 
   N  115.6897 (A.382 A.383 B.60 C.112 C.110 D.212 D.211 D.213) 
   CA  59.0670 (C.110 D.213 -L.449 -R.219) 
   HA  4.1880 (-L.449 -R.219) 
   CB  34.1370 (D.212) 
   HB1|2  1.7500
   CD  29.4200
   HD1|2  1.7100
   CE  42.0500 (-G.54) 
   HE1|2  2.9300 (-G.54) 
END_RES_DEF

RES_ID		52
RES_TYPE	TRP
PREV_TYPE	VAL(32.6)  LYS(24.6)  MET(18.3)  PRO(15.9)  TRP(8.6)  
SPIN_SYSTEM_ID	31
HETEROGENEITY	100
   HN  7.9898 (A.319 A.320 B.29 C.50 C.51 D.101 D.102 -Q.408 -T.8) 
   N  120.6516 (A.319 A.320 B.29 C.50 C.51 D.101 D.102 -Q.408) 
   CA  62.8080 (C.50 -R.542) 
   HA  4.9160 (-P.117 -R.81 -R.542) 
   CB  27.6712 (D.101) 
   HB1|2  3.5600 (-P.122 -R.80) 
   HB1|2  3.6370 (-P.29 -R.79) 
   HE1  \
             10.0300 (-P.16 -P.17 -P.18 -P.19 -P.117 -P.22 -P.28 -P.29 -P.122 -P.43 -P.44) 
   NE1  108.2886
   CD1  127.2900 (-R.80 -R.79 -R.78 -R.77 -R.81) 
   HD1  7.2800 (-P.17 -R.80 -R.79 -R.78 -R.77 -R.81) 
   HE3  7.2800
   CZ3  124.7700 (-G.103) 
   HZ3  7.2000 (-G.103 -T.20) 
   CH2  120.9400
   HH2  7.5327 (-T.25) 
   CZ2  113.8800
   HZ2  7.4400 (-P.16 -T.25 -T.20) 
END_RES_DEF

RES_ID		53
RES_TYPE	PRO
SPIN_SYSTEM_ID	100
HETEROGENEITY	100
   CA  66.0100
   HA  4.0640
   CB  31.1100 (-L.443 -U.979) 
   HB1|2  1.0700
   HB1|2  2.1820 (-L.443 -U.979) 
   CG  28.5000
   HG1|2  1.9640
   HG1|2  2.0300
   CD  50.4600
   HD1|2  4.0140 (-Q.408 -R.77) 
END_RES_DEF

RES_ID		54
RES_TYPE	PHE
PREV_TYPE	PRO(60.2)  VAL(39.8)  
SPIN_SYSTEM_ID	55
HETEROGENEITY	100
   HN  7.5948 (A.366 A.367 C.100 D.185 D.186 -Q.429 -R.472) 
   N  117.2765 (A.366 A.367 C.100 D.185 D.186) 
   CA  61.7644 (C.100 D.186 -G.89 -G.90) 
   HA  4.2570 (-G.89 -G.90 -R.132) 
   CB  38.2890 (D.185) 
   HB1|2  3.3070 (-R.482) 
   HB1|2  3.6670 (-P.26) 
   CD1  132.2700
   HD1  7.5200 (-T.14 -T.15 -R.487 -R.130 -P.8) 
   CE1  132.1500
   HE1  7.6000 (-T.12 -T.15 -T.16 -R.472) 
   CZ  129.9900 (-G.129) 
   HZ  7.7900 (-G.129 -T.10 -T.11 -T.12 -T.14 -R.129) 
END_RES_DEF

RES_ID		55
RES_TYPE	PHE
PREV_TYPE	ILE(38.8)  TYR(31.0)  PHE(28.6)  
SPIN_SYSTEM_ID	36
HETEROGENEITY	100
   HN  7.9720 (A.326 A.327 B.30 C.58 D.109 D.110) 
   N  120.2782 (A.326 A.327 B.30 C.58 D.109 D.110) 
   CA  62.8011 (D.110) 
   HA  4.3560 (-R.441 -R.484) 
   CB  38.8297 (D.109 -M.71 -R.24) 
   HB1|2  3.1580 (-R.542) 
   HB1|2  3.2010 (-M.71 -R.24) 
   CD1  132.3100
   HD1  7.1300 (-T.26 -T.37 -R.24 -R.486) 
   CE1  127.8200
   HE1  6.8800 (-P.18 -T.34 -T.37 -R.496 -P.80) 
   CZ  131.9800
   HZ  7.4300 (-T.34 -T.26 -P.81) 
END_RES_DEF

RES_ID		56
RES_TYPE	GLN
PREV_TYPE	ILE(53.5)  PHE(23.3)  TYR(23.2)  
SPIN_SYSTEM_ID	44
HETEROGENEITY	100
   HN  8.3892 (A.344 A.345 B.39 C.73 D.143 D.142 -Q.429) 
   N  119.1956 (A.344 A.345 B.39 C.73 D.143 D.142 -Q.429) 
   CA  59.4010 (C.133) 
   HA  3.7640 (-P.28) 
   CB  28.4300
   HB1|2  1.6250
   HB1|2  1.7690
   CG  33.6600
   HG1|2  1.5000 (-P.44) 
   HG1|2  1.5960 (-P.43) 
   NE2  112.1700
   HE21|2  6.8650 (-T.29) 
   HE21|2  6.7130 (-P.19) 
END_RES_DEF

RES_ID		57
RES_TYPE	GLU
PREV_TYPE	CYS(29.0)  GLN(27.5)  GLU(21.8)  ARG(10.3)  TRP(9.4)  
SPIN_SYSTEM_ID	28
HETEROGENEITY	100
   HN  7.8510 (A.313 A.314 B.31 C.47 -T.29) 
   N  120.8787 (A.313 A.314 B.31 C.47) 
   CA  59.3100
   HA  4.1520
   CB  29.4500 (-L.445 -M.2318) 
   HB1|2  2.0370
   HB1|2  2.1770 (-L.445 -M.2318) 
   CG  34.9500
   HG1|2  2.2320
   HG1|2  2.3680
END_RES_DEF

RES_ID		58
RES_TYPE	ALA
PREV_TYPE	GLU(25.5)  ARG(23.1)  TRP(18.3)  CYS(17.4)  GLN(9.8)  
SPIN_SYSTEM_ID	29
HETEROGENEITY	100
   HN  8.2140 (A.315 A.316 B.26 C.48 C.49 D.96 D.105 D.97 D.98) 
   N  120.6423 (A.315 A.316 B.26 C.48 C.49 D.96 D.105 D.97 D.98) 
   CA  55.6315 (C.49 D.97 -G.130) 
   HA  4.0810 (-G.130 -R.438) 
   CB  17.9193 (D.96 -M.2351 -R.438 -R.440 -R.441 -R.458) 
   HB#  1.5380 (-M.2351 -R.438 -R.440 -R.441 -R.458 -R.463 -R.480) 
END_RES_DEF

RES_ID		59
RES_TYPE	GLN
PREV_TYPE	ALA(100.0)  
SPIN_SYSTEM_ID	41
HETEROGENEITY	100
   HN  8.4026 (A.339 A.340 B.40 C.70 C.69 D.137 D.141 D.260) 
   N  119.5373 (A.339 A.340 B.40 C.70 C.69 D.137 D.141 D.260) 
   CA  59.5150 (C.70 D.141 -L.527) 
   HA  4.1700 (-L.527) 
   CB  28.3404 (D.137 -L.433) 
   HB1|2  2.2610 (-L.433) 
   CG  34.4900 (-L.433) 
   HG1|2  2.5230
   HG1|2  2.6660 (-L.433) 
   NE2  110.2000
   HE21|2  6.7530
   HE21|2  7.4510
END_RES_DEF

RES_ID		60
RES_TYPE	LYS
PREV_TYPE	CYS(32.8)  GLN(31.2)  GLU(19.2)  TRP(8.2)  ARG(7.1)  
SPIN_SYSTEM_ID	12
HETEROGENEITY	100
   HN  7.9169 (A.284 A.285 B.13 C.22 D.50 D.51 D.52 -T.6) 
   N  122.7480 (A.284 A.285 B.13 C.22 D.50 D.51 D.52) 
   CA  59.8000 (C.22 D.50) 
   HA  4.1490
   CB  32.1538 (-L.505 -L.507 -L.510 -L.511) 
   HB1|2  2.0700 (-L.505 -L.507 -L.510 -L.511) 
   CG  24.9100 (-L.73 -L.85 -L.88) 
   HG1|2  1.3980 (-L.85) 
   HG1|2  1.6490 (-L.73 -L.88) 
   CD  29.4500 (-L.54 -L.74 -L.85 -L.88 -L.510) 
   HD1|2  1.7290 (-L.54 -L.74 -L.85 -L.88 -L.510) 
   CE  41.7600 (-J.1 -L.75 -U.992) 
   HE1|2  2.9570 (-J.1 -L.75 -U.992) 
END_RES_DEF

RES_ID		61
RES_TYPE	LEU
PREV_TYPE	LYS(46.4)  MET(18.8)  VAL(14.2)  PRO(8.4)  TRP(8.2)  
SPIN_SYSTEM_ID	42
HETEROGENEITY	100
   HN  8.3841 (A.341 A.342 C.72 D.139 D.140) 
   N  119.3641 (A.341 A.342 C.72 D.139 D.140) 
   CA  58.0310 (C.72 D.140) 
   HA  4.1900
   CB  41.7128 (D.139) 
   HB1|2  1.4920
   HB1|2  2.1050
   CG  26.8600
   HG  1.9970 (-Q.511 -Q.502) 
   CD1|2  22.2800 (-U.840 -U.992) 
   HD1#|2#  0.9610 (-U.840 -R.458 -U.992) 
   CD1|2  26.21
   HD1#|2#  0.97
END_RES_DEF

RES_ID		62
RES_TYPE	GLN
PREV_TYPE	LEU(43.5)  PHE(16.3)  TYR(15.6)  ILE(12.7)  ASP(11.8)  
SPIN_SYSTEM_ID	22
HETEROGENEITY	100
   HN  8.3567 (A.301 A.302 B.20 C.37 C.36 D.78 D.79 D.81) 
   N  121.2732 (A.301 A.302 B.20 C.37 C.36 D.78 D.79 D.81) 
   CA  59.4710 (C.37 D.79 -M.35) 
   HA  3.9790 (-M.35) 
   CB  28.3490 (D.78 -M.35 -L.528 -G.162) 
   HB1|2  2.2640 (-M.35 -L.528 -G.162) 
   CG  34.2900 (-L.505) 
   HG1|2  2.4980 (-L.505) 
   HG1|2  2.4240
   NE2  111.1300
   HE21|2  7.3160 (-P.104 -T.108) 
   HE21|2  7.0200 (-P.91) 
END_RES_DEF

RES_ID		63
RES_TYPE	ALA
PREV_TYPE	CYS(30.7)  GLN(27.4)  GLU(21.4)  TRP(9.5)  ARG(9.3)  
SPIN_SYSTEM_ID	11
HETEROGENEITY	100
   HN  8.1563 (A.282 A.283 B.11 C.20 C.19 D.46 D.47 D.45 D.44 -T.6) 
   N  123.2586 (A.282 A.283 B.11 C.20 C.19 D.46 D.47 D.45 D.44) 
   CA  55.4760 (C.19 D.45) 
   HA  4.2250
   CB  17.9713 (-L.507 -G.46 -G.47) 
   HB#  1.6240 (-L.507 -G.46 -G.47) 
END_RES_DEF

RES_ID		64
RES_TYPE	MET
PREV_TYPE	ALA(100.0)  
SPIN_SYSTEM_ID	52
HETEROGENEITY	100
   HN  8.1935 (A.360 A.361 B.49 C.87 C.90 D.166 D.167 D.168 D.176 -Q.502 -T.4) 
   N  117.5458 (A.360 A.361 B.49 C.87 C.90 D.166 D.167 D.168 D.176 -Q.502) 
   CA  58.7300 (C.87 D.166) 
   HA  4.1960
   CB  33.2853 (D.168) 
   HB1|2  2.2110
   CG  32.2500 (-M.2318) 
   HG1|2  2.8170
   HG1|2  2.6210 (-M.2318) 
   CE  17.0700 (-L.528 -U.840 -U.834) 
   HE#  2.1400 (-L.528 -U.840 -U.834) 
END_RES_DEF

RES_ID		65
RES_TYPE	HIS
PREV_TYPE	LYS(36.4)  MET(33.7)  TRP(9.9)  VAL(9.2)  
SPIN_SYSTEM_ID	14
HETEROGENEITY	100
   HN  8.1107 (A.287 A.288 B.18 C.24 C.23 D.57 D.58 D.59 D.60 -Q.511) 
   N  122.1042 (A.287 A.288 B.18 C.24 C.23 D.57 D.58 D.59 D.60 -Q.511) 
   CA  61.0230 (C.24 D.60) 
   HA  4.1950
   CB  31.8746
   HB1|2  3.1900
   HB1|2  3.8600
   CD2  119.8000
   HD2  7.0900 (-T.38) 
   CE1  138.3000 (-R.467) 
   HE1  6.6000 (-T.38 -R.467 -T.110 -T.87) 
END_RES_DEF

RES_ID		66
RES_TYPE	ARG
PREV_TYPE	VAL(36.2)  PRO(25.9)  LYS(24.1)  TRP(9.7)  
SPIN_SYSTEM_ID	58
HETEROGENEITY	100
   HN  8.0309 (A.372 A.373 B.56 C.105 C.104 D.201 D.200 D.199 -T.4) 
   N  116.8399 (A.372 A.373 B.56 C.105 C.104 D.201 D.200 D.199) 
   CA  58.3800 (C.104 D.199) 
   HA  4.2780
   CB  30.4095 (D.201) 
   HB1|2  2.0170
   HB1|2  2.1080
   CG  27.7900
   HG1|2  1.9690
   HG1|2  1.8720
   CD  43.5800
   HD1|2  3.3810
END_RES_DEF

RES_ID		67
RES_TYPE	GLU
PREV_TYPE	TRP(23.9)  ARG(22.1)  GLU(16.2)  HIS(15.2)  CYS(9.4)  \
		LYS(5.4)  
SPIN_SYSTEM_ID	59
HETEROGENEITY	100
   HN  7.5020 (A.374 A.375 B.52 C.103 D.196 D.197) 
   N  116.7360 (A.374 A.375 B.52 C.103 D.196 D.197) 
   CA  58.5110 (C.103 D.197) 
   HA  4.0310
   CB  30.1400 (-L.442 -L.458) 
   HB1|2  2.0930 (-L.442 -L.458) 
   CG  36.4600 (-L.458) 
   HG1|2  2.3950 (-L.458) 
   HG1|2  2.2380
END_RES_DEF

RES_ID		68
RES_TYPE	LYS
PREV_TYPE	ARG(23.8)  TRP(22.6)  GLU(18.4)  HIS(13.4)  CYS(10.7)  
SPIN_SYSTEM_ID	49
HETEROGENEITY	100
   HN  7.6074 (A.354 A.355 B.47 C.86 D.161 D.160 D.162) 
   N  118.2049 (A.354 A.355 B.47 C.86 D.161 D.160 D.162) 
   CA  58.1340 (C.86 D.160) 
   HA  3.8480
   CB  33.4529 (D.161) 
   HB1|2  1.0800 (-T.87) 
   HB1|2  1.3880
   CG  25.1500
   HG1|2  0.7780
   HG1|2  1.0960
   CD  29.2500
   HD1|2  1.4780
   CE  41.8900
   HE1|2  2.8830
END_RES_DEF

RES_ID		69
RES_TYPE	TYR
PREV_TYPE	LYS(37.1)  MET(34.5)  TRP(15.1)  
SPIN_SYSTEM_ID	60
HETEROGENEITY	100
   HN  8.0444 (A.376 A.377 B.55 C.106 D.202 D.206 D.207) 
   N  116.5431 (A.376 A.377 B.55 C.106 D.202 D.206 D.207) 
   CA  54.3760 (C.106 D.207) 
   HA  5.0520 (-R.546 -T.110) 
   CB  38.0236 (D.206 -R.546) 
   HB1|2  2.6400 (-R.385) 
   HB1|2  2.9230 (-R.546) 
   CD1  134.4700 (-R.385) 
   HD1  6.5800 (-T.45 -R.396 -R.385) 
   CE1  117.4900
   HE1  6.6500 (-T.45 -V.329 -T.48 -T.53) 
END_RES_DEF

RES_ID		70
RES_TYPE	PRO
SPIN_SYSTEM_ID	101
HETEROGENEITY	100
   CA  64.8400
   HA  4.6250
   CB  32.1600
   HB1|2  1.9400 (-R.466) 
   HB1|2  2.4060
   CG  27.3700
   HG1|2  1.9400
   CD  50.4500
   HD1|2  3.6450
   HD1|2  3.4040
END_RES_DEF

RES_ID		71
RES_TYPE	ASN
PREV_TYPE	VAL(56.2)  PRO(43.8)  
SPIN_SYSTEM_ID	68
HETEROGENEITY	100
   HN  8.5856 (A.394 A.395 D.224 D.225) 
   N  115.0480 (A.394 A.395 D.224 D.225) 
   CA  52.9650 (D.225 -R.544) 
   HA  4.8980 (-R.544) 
   CB  38.8435 (D.224 -M.2310) 
   HB1|2  2.8090 (-M.2310 -R.544) 
   HB1|2  2.9860
   ND2  112.8500
   HD21|2  6.9650
   HD21|2  7.5860
END_RES_DEF

RES_ID		72
RES_TYPE	TYR
PREV_TYPE	ASN(79.3)  ASP(14.8)  MET(5.9)  
SPIN_SYSTEM_ID	20
HETEROGENEITY	100
   HN  7.7499 (A.297 A.298 B.17 C.31 C.30 D.68 D.69 D.77 -Q.549 -T.9) 
   N  121.5871 (A.297 A.298 B.17 C.31 C.30 D.68 D.69 D.77 -Q.549) 
   CA  59.6980 (C.30 D.69) 
   HA  4.3120
   CB  39.1045 (D.68) 
   HB1|2  3.1330
   HB1|2  3.1900
   CD1  133.5800
   HD1  7.0700 (-Q.549 -R.400 -T.100) 
   CE1  118.0400 (-G.33 -G.36 -G.38) 
   HE1  6.7300 (-R.513 -G.33 -G.36 -G.38 -T.100) 
END_RES_DEF

RES_ID		73
RES_TYPE	LYS
PREV_TYPE	PHE(33.2)  TYR(31.4)  ILE(31.3)  
SPIN_SYSTEM_ID	5
HETEROGENEITY	100
   HN  7.4059 (A.270 A.271 B.4 C.8 D.15 D.16 D.13 D.14) 
   N  126.5270 (A.270 A.271 B.4 C.8 D.15 D.16 D.13 D.14) 
   CA  54.9470 (C.8 D.14) 
   HA  4.3000
   CB  34.7610 (-L.3 -L.84) 
   HB1|2  1.5240
   HB1|2  1.6250 (-L.3 -L.84) 
   CG  24.5600 (-L.2 -L.544) 
   HG1|2  1.3450 (-L.2 -L.544) 
   CD  29.1500 (-L.1 -L.84 -L.43) 
   HD1|2  1.6970 (-L.1 -L.84 -L.43) 
   HD1|2  1.6340
   CE  41.9500
   HE1|2  3.0070
END_RES_DEF

RES_ID		74
RES_TYPE	TYR
PREV_TYPE	LYS(34.2)  MET(26.2)  ARG(10.8)  TRP(10.5)  GLU(8.5)  
SPIN_SYSTEM_ID	9
HETEROGENEITY	100
   HN  8.5435 (A.278 A.279 A.406 A.407 B.10 C.18 C.17 D.38 D.39 D.40 D.41) 
   N  123.6188 (A.278 A.279 A.406 A.407 B.10 C.18 C.17 D.38 D.39 D.40 D.41) 
   CA  57.6920 (C.17 D.41) 
   HA  4.4560 (-Q.567) 
   CB  38.2469
   HB1|2  3.0810 (-R.403) 
   HB1|2  3.1700
   CD1  133.1000 (-R.403 -R.525 -G.196 -G.278 -G.277 -G.279) 
   HD1  7.2600 (-R.403 -R.525 -T.98 -G.196 -G.278 -G.277 -G.279) 
   CE1  118.1600 (-R.466) 
   HE1  6.8200 (-R.466 -R.525 -P.111 -T.98) 
END_RES_DEF

RES_ID		75
RES_TYPE	ARG
PREV_TYPE	TYR(43.7)  PHE(39.3)  ASN(6.3)  ILE(5.7)  
SPIN_SYSTEM_ID	4
HETEROGENEITY	100
   HN  8.0739 (A.268 A.269 B.2 C.6 C.7 D.10 D.8 D.9 D.257 -Q.567 -T.9) 
   N  126.6316 (A.268 A.269 B.2 C.6 C.7 D.10 D.8 D.9 D.257 -Q.567) 
   CA  53.1610 (C.7 D.9) 
   HA  4.5300
   CB  31.1122
   HB1|2  1.6130
   HB1|2  1.7120
   CG  27.0200
   HG1|2  1.4650
   CD  43.6400
   HD1|2  3.1580
END_RES_DEF

RES_ID		76
RES_TYPE	PRO
SPIN_SYSTEM_ID	102
HETEROGENEITY	100
   CA  62.9200
   HA  4.3790
   CB  32.3400
   HB1|2  2.3370
   HB1|2  1.9360
   CG  27.5400
   HG1|2  2.0310
   HG1|2  1.9640
   CD  50.1600
   HD1|2  3.4300
END_RES_DEF

RES_ID		77
RES_TYPE	ARG
SPIN_SYSTEM_ID	18
HETEROGENEITY	100
   HN  8.4661 (A.294 B.21 C.33 D.63 D.72 D.70 D.71) 
   N  121.6863 (A.294 B.21 C.33 D.63 D.72 D.70 D.71) 
   CA  56.8043 (C.33 D.71) 
   HA  4.2190
   CB  30.8211 (D.72) 
   HB1|2  1.8520
   CG  27.2300
   HG1|2  1.5990
   CD  43.7100
   HD1|2  3.1990
END_RES_DEF

RES_ID		78
RES_TYPE	ARG
PREV_TYPE	TRP(18.8)  ARG(17.8)  HIS(17.4)  GLU(15.6)  CYS(11.9)  \
		LYS(6.4)  MET(6.1)  GLN(5.1)  
SPIN_SYSTEM_ID	3
HETEROGENEITY	100
   HN  7.7656 (A.265 A.266 B.3 C.5 C.4 D.6 D.7 D.5) 
   N  126.7692 (A.265 A.266 B.3 C.5 C.4 D.6 D.7 D.5) 
   CA  57.3230 (C.4 D.5) 
   HA  4.2180
   CB  32.0416 (-L.42) 
   HB1|2  1.7000 (-L.42) 
   HB1|2  1.8600
   CG  27.3600
   HG1|2  1.5820
   CD  43.4300
   HD1|2  3.1980
END_RES_DEF

RES_ID		103
RES_TYPE	ASP
SPIN_SYSTEM_ID	16
HETEROGENEITY	100
   HN  8.4397 (A.291 A.293 D.64 D.65 D.259) 
   N  121.8007 (A.291 A.293 D.64 D.65 D.259) 
   CA  54.6032 (D.65) 
   CB  41.4906 (D.64) 
END_RES_DEF

RES_ID		104
RES_TYPE	ARG
PREV_TYPE	ASP(44.8)  LEU(30.8)  PHE(10.9)  TYR(10.3)  
SPIN_SYSTEM_ID	25
HETEROGENEITY	100
   HN  8.1455 (A.307 A.308 B.27 C.43 C.42 D.86 D.85 D.88 D.89) 
   N  120.9847 (A.307 A.308 B.27 C.43 C.42 D.86 D.85 D.88 D.89) 
   CA  56.0020 (C.42 D.89) 
   CB  31.3556 (D.85) 
END_RES_DEF

RES_ID		108
RES_TYPE	PRO
SPIN_SYSTEM_ID	252
HETEROGENEITY	100
   CA  61.9300
   HA  4.3970
   CB  31.5700
   HB1|2  1.8780
   HB1|2  1.8190
   CG  24.9200
   HG1|2  1.3640
   HG1|2  1.5840
   CD  49.7700
   HD1|2  3.3840
   HD1|2  3.1400
END_RES_DEF

RES_ID		140
RES_TYPE	GLY
PREV_TYPE	LEU(49.7)  ILE(17.1)  PHE(13.3)  TYR(12.9)  ASP(6.9)  
SPIN_SYSTEM_ID	206
HETEROGENEITY	100
   HN  8.3735
   N  126.9200
   CA  48.6360 (C.9 D.11) 
   HA1  3.8000
   HA2  4.1010
END_RES_DEF

RES_ID		143
RES_TYPE	TRP
PREV_TYPE	GLU(25.8)  CYS(20.6)  ARG(20.3)  TRP(15.8)  GLN(13.2)  
SPIN_SYSTEM_ID	243
HETEROGENEITY	100
   HN  8.7731 (A.305 A.306 B.22 C.38 C.39 D.80 D.93) 
   N  121.0293 (A.305 A.306 B.22 C.38 C.39 D.80 D.93) 
   CA  60.0250 (C.39 D.93 -M.71) 
   HA  4.6110 (-M.71) 
   CB  29.8100 (D.80 -M.82 -M.85) 
   HB1|2  3.2560 (-M.82 -M.85) 
   HE1  10.0300
   NE1  108.2886
   CD1  113.8800
   HD1  7.2800
   CE3  133.2100
   HE3  7.1969
   CZ3  121.1400
   HZ3  7.6361
   CH2  114.7000
   HH2  7.5327
   CZ2  127.2900
   HZ2  7.2788
END_RES_DEF

RES_ID		153
RES_TYPE	PRO
SPIN_SYSTEM_ID	253
HETEROGENEITY	100
   CA  66.0100
   HA  4.0640
   CB  31.1100
   HB1|2  1.4300
   CG  22.3200
   HG1|2  1.1500
   CD  50.4600
   HD1|2  3.9970
END_RES_DEF

RES_ID		201
RES_TYPE	GUA
SPIN_SYSTEM_ID	301
HETEROGENEITY	100
   H8  7.9570 (-A.254 -A.264 -A.268 -A.257 -V.174 -V.175 -V.28 -V.27) 
   H1'  \
             6.0030 (-A.43 -A.63 -A.101 -A.100 -A.337 -A.356 -A.96 -A.451 -G.27 -X.65 -X.86 -X.87 -V.392 -V.508) 
   H2'  2.5970 (-A.100 -A.115 -A.143 -X.22 -X.86 -V.115 -V.174 -V.514 -V.515) 
   H2''  \
             2.7980 (-A.101 -A.119 -A.153 -A.144 -A.309 -X.21 -X.87 -X.97 -V.175 -V.519) 
   H3'  4.8890 (-A.144 -A.143 -A.356 -A.208 -A.210) 
   H4'  4.2769 (-A.208 -G.33 -V.397 -V.28 -V.514) 
   H5'  3.7306 (-A.210 -A.397 -V.397 -V.392 -V.515 -V.519) 
   H5''  4.1498 (-A.209 -G.16 -V.27 -V.508) 
END_RES_DEF

RES_ID		202
RES_TYPE	CYT
SPIN_SYSTEM_ID	302
HETEROGENEITY	100
   H5  5.5460 (-A.114 -A.111 -A.337 -A.338 -V.115) 
   H6  \
             7.5030 (-A.247 -A.254 -A.255 -A.279 -A.281 -A.282 -A.43 -A.41 -A.40 -A.179 -X.21 -X.22 -X.23 -X.24 -X.50 -X.65) 
   HN'  6.5450 (-P.71) 
   HN''  8.4960
   H1'  5.5350 (-A.119 -A.115 -A.357 -A.382 -X.94 -X.95 -X.97 -T.53) 
   H2'  2.1400 (-A.111 -A.305 -X.24 -X.94 -V.417) 
   H2''  2.4460 (-A.156 -A.179 -A.114 -A.142 -X.3 -X.23 -X.95 -V.513 -V.417) 
   H3'  \
             4.8950 (-A.7 -A.41 -A.142 -A.305 -A.357 -A.211 -A.209 -A.453 -A.363 -A.371 -X.50) 
   H4'  4.1879 (-A.40 -A.382 -A.211 -G.38 -V.513 -G.277) 
END_RES_DEF

RES_ID		203
RES_TYPE	ADE
SPIN_SYSTEM_ID	303
HETEROGENEITY	100
   H2  7.8000 (-A.461 -A.462 -G.36) 
   H8  \
             8.4120 (-A.248 -A.247 -A.1 -A.3 -A.7 -A.288 -A.156 -X.1 -X.2 -X.3 -X.43 -X.60 -X.61 -V.248 -V.5) 
   H1'  \
             6.3510 (-A.44 -A.1 -A.78 -A.79 -A.325 -A.334 -A.346 -A.364 -A.376 -A.461 -X.61 -X.73 -X.74) 
   H2'  2.7490 (-A.79 -A.120 -A.300 -A.136 -A.302 -X.2 -X.74 -V.302) 
   H2''  3.0080 (-A.288 -A.189 -A.78 -A.121 -A.137 -G.204 -X.1 -X.20 -X.73) 
   H3'  \
             5.1120 (-A.3 -A.285 -A.137 -A.136 -A.346 -A.347 -A.212 -A.213 -A.214 -A.390 -A.354 -X.43 -V.302 -G.278) 
   H4'  4.4680 (-A.364 -A.212 -A.370 -A.451 -A.371 -G.122) 
   H5'  4.1658 (-A.213 -V.5 -G.279) 
   H5''  4.0642 (-A.214 -G.15) 
END_RES_DEF

RES_ID		204
RES_TYPE	CYT
SPIN_SYSTEM_ID	304
HETEROGENEITY	100
   H5  \
             5.5240 (-A.121 -A.120 -A.109 -A.110 -A.334 -A.341 -A.344 -A.347 -A.353 -G.82 -X.60) 
   H6  \
             7.4120 (-A.44 -A.257 -A.281 -A.285 -A.189 -A.249 -A.250 -A.279 -X.20 -X.33 -X.51 -V.248 -V.249 -P.113) 
   HN'  6.6440
   HN''  8.2230
   H1'  \
             5.3060 (-A.125 -A.126 -A.298 -A.344 -A.216 -A.370 -A.215 -A.343 -G.199 -X.99 -V.299 -T.115) 
   H2'  2.0130 (-A.110 -A.126 -A.131 -X.34) 
   H2''  1.9040 (-A.109 -A.125 -A.130 -X.5 -X.33 -X.99 -V.299) 
   H3'  4.9830 (-A.130 -A.131 -A.216 -A.353 -A.354 -X.51 -V.11) 
   H4'  4.2788 (-A.215 -A.376 -G.55 -G.198 -G.135) 
END_RES_DEF

RES_ID		205
RES_TYPE	ADE
SPIN_SYSTEM_ID	305
HETEROGENEITY	100
   H2  \
             7.6300 (-A.464 -A.467 -A.468 -G.2 -G.19 -G.21 -G.64 -H.12 -I.1 -X.64 -V.467 -P.109 -P.136) 
   H8  8.2030 (-A.249 -A.158 -A.310 -G.52 -X.4 -X.5 -X.6 -X.45 -V.249 -V.11) 
   HN'  6.2840 (-P.84) 
   H1'  \
             6.0000 (-A.102 -A.98 -A.97 -A.96 -A.330 -A.331 -A.343 -A.366 -A.372 -A.378 -A.389 -A.381 -A.464 -A.63 -G.62 -X.64 -X.66 -X.77 -X.85 -V.217 -P.13 -T.59 -T.115) 
   H2'  1.6200 (-A.158 -A.97 -A.150 -A.420 -G.186 -G.121 -X.4 -X.77) 
   H2''  2.0490 (-A.98 -A.117 -A.306 -A.420 -X.6 -X.85) 
   H3'  4.7850 (-A.145 -A.150 -A.306 -A.363 -G.130 -X.45 -V.217) 
   H4'  4.2800 (-A.378 -G.18) 
   H5'  3.9466 (-A.390 -G.15 -G.17) 
END_RES_DEF

RES_ID		206
RES_TYPE	ADE
SPIN_SYSTEM_ID	306
HETEROGENEITY	100
   H2  \
             7.3700 (-A.62 -A.63 -G.1 -G.63 -H.13 -I.2 -X.34 -X.66 -P.137 -T.18 -T.36) 
   H8  \
             8.1990 (-A.250 -A.260 -A.261 -A.9 -A.311 -A.443 -G.52 -X.7 -X.8 -X.44 -X.62 -T.5) 
   HN''  6.1390 (-G.89) 
   HN'  8.0030
   H1'  \
             5.8200 (-A.9 -A.37 -A.62 -A.103 -A.104 -A.338 -A.218 -A.219 -A.220 -G.61 -X.62 -X.89 -X.90 -V.338 -T.59 -T.70) 
   H2'  2.6140 (-A.104 -A.141 -X.7 -X.89 -V.303) 
   H2''  2.8530 (-A.103 -A.138 -X.8 -X.90) 
   H3'  4.9710 (-A.138 -A.141 -A.303 -A.218 -A.384 -A.385 -A.453 -G.60 -X.44) 
   H4'  4.1464 (-A.219 -A.384 -A.381 -G.59 -G.28 -G.92) 
   H5'  4.0216 (-A.385 -A.220 -A.389) 
END_RES_DEF

RES_ID		207
RES_TYPE	ADE
SPIN_SYSTEM_ID	307
HETEROGENEITY	100
   H2  7.7300 (-A.463 -A.465 -A.466 -T.18) 
   H8  \
             7.9600 (-A.256 -A.261 -A.262 -A.263 -A.265 -A.268 -A.37 -A.36 -A.34 -A.443 -X.12 -X.48 -T.5) 
   H1'  \
             5.7480 (-A.36 -A.61 -A.105 -A.333 -A.341 -A.351 -A.223 -A.465 -X.91 -T.114 -T.57 -T.117) 
   H2'  2.3620 (-A.438 -X.12 -V.520) 
   H2''  2.3620 (-A.105 -A.113 -X.91 -V.433) 
   H3'  4.9820 (-A.351 -A.352 -X.48 -V.303) 
   H4'  4.2760 (-G.139) 
   H5'  4.0260 (-A.223 -G.93 -V.520) 
END_RES_DEF

RES_ID		208
RES_TYPE	CYT
SPIN_SYSTEM_ID	308
HETEROGENEITY	100
   H5  \
             5.5670 (-A.34 -A.59 -A.112 -A.113 -A.336 -A.367 -A.352 -V.338 -T.57 -T.52) 
   H6  \
             7.3690 (-A.252 -A.64 -A.62 -A.61 -A.59 -A.70 -A.193 -A.192 -A.257 -A.256 -X.36 -X.37 -X.55 -X.67) 
   H1'  \
             6.0890 (-A.64 -A.92 -A.91 -A.331 -A.365 -A.225 -A.391 -A.463 -G.51 -G.150 -G.84 -X.67 -X.83 -X.84 -P.124 -T.114 -T.52 -T.117 -T.118) 
   H2'  2.2390 (-A.193 -A.92 -A.112 -A.148 -A.438 -X.37 -X.84 -V.433 -V.524) 
   H2''  2.1550 (-A.192 -A.91 -A.147 -G.85 -X.36 -X.83 -V.523) 
   H3'  \
             4.5360 (-A.70 -A.147 -A.148 -A.365 -A.366 -A.367 -A.224 -A.398 -G.149 -G.115 -G.134 -X.55) 
   H4'  3.9531 (-A.225 -A.398 -G.14 -G.17 -G.132) 
   H5'  3.6738 (-A.391 -A.224 -G.32 -V.523 -V.524) 
END_RES_DEF

RES_ID		209
RES_TYPE	GUA
SPIN_SYSTEM_ID	309
HETEROGENEITY	100
   H8  8.0650 (-A.263 -A.292 -A.311 -V.23) 
   H1'  \
             6.0870 (-A.90 -A.329 -A.330 -A.335 -A.336 -A.339 -A.350 -A.226 -G.84 -G.150 -G.89 -X.68 -V.95) 
   H2'  2.7350 (-A.140 -A.411 -X.25 -V.516 -V.517 -V.403) 
   H2''  2.7350 (-V.300 -V.95) 
   H3'  4.9830 (-A.140 -A.129 -A.350 -A.380 -A.227 -A.228 -G.58 -V.361) 
   H4'  4.2592 (-A.226 -A.380 -A.396 -A.397 -G.139 -V.23 -V.517) 
   H5'  3.7035 (-A.227 -A.396 -G.32 -V.516) 
   H5''  3.6112 (-A.228) 
END_RES_DEF

RES_ID		210
RES_TYPE	THY
SPIN_SYSTEM_ID	310
HETEROGENEITY	100
   H3  14.0270
   H5#  1.7270 (-A.90 -A.304 -A.129 -A.402 -A.411 -A.466 -X.31 -V.403) 
   H6  \
             7.4310 (-A.248 -A.250 -A.256 -A.281 -A.45 -A.56 -A.182 -A.249 -A.313 -X.25 -X.31 -X.32 -X.35 -X.38 -X.57 -X.58 -X.68 -X.70 -V.184 -V.186) 
   H1'  \
             6.2150 (-A.66 -A.45 -A.86 -A.85 -A.296 -A.325 -A.327 -A.329 -A.229 -A.230 -G.75 -G.74 -G.90 -X.70 -X.78 -X.79 -T.46) 
   H2'  2.0080 (-A.85 -A.412 -A.414 -X.19 -X.35 -X.78 -V.413 -V.184) 
   H2''  2.3380 (-A.86 -A.145 -A.423 -X.38 -X.79 -V.145 -V.186 -V.533) 
   H3'  4.8022 (-A.56 -A.304 -A.308 -A.229 -X.58 -V.145 -V.361 -V.300) 
   H4'  4.2800 (-G.94 -X.57) 
   H5'  3.9534 (-A.230) 
END_RES_DEF

RES_ID		211
RES_TYPE	THY
SPIN_SYSTEM_ID	311
HETEROGENEITY	100
   H3  13.7140 (-P.109) 
   H5#  \
             1.8130 (-A.204 -A.182 -A.201 -A.292 -A.81 -A.296 -A.308 -A.401 -A.402 -A.412 -A.413 -A.423 -A.468 -X.17 -X.32 -V.413 -V.533 -P.131) 
   H6  \
             7.0760 (-A.65 -A.66 -A.72 -A.205 -A.204 -A.203 -A.202 -A.313 -A.314 -X.16 -X.17 -X.18 -X.19 -X.59 -P.116) 
   H1'  \
             6.2920 (-A.65 -A.81 -A.80 -A.82 -A.83 -A.327 -A.328 -A.360 -A.388 -G.80 -X.75 -X.76 -T.46) 
   H2''  1.7300 (-A.203 -A.82 -A.152 -A.425 -A.467 -X.76 -P.38) 
   H2'  1.4040 (-A.202 -A.83 -A.151 -A.424 -X.16 -X.75 -V.526) 
   H3'  4.8410 (-A.72 -A.151 -A.152 -A.307 -A.360 -A.361 -G.143 -X.59) 
   H4'  4.2808 (-G.95) 
   H5'  3.9200 (-A.388 -G.23 -G.106 -G.3 -P.24) 
END_RES_DEF

RES_ID		212
RES_TYPE	THY
SPIN_SYSTEM_ID	312
HETEROGENEITY	100
   H3  13.6080
   H5#  \
             1.9100 (-A.205 -A.200 -A.80 -A.298 -A.307 -A.401 -A.414 -A.418 -A.424 -X.18 -X.29 -V.167 -V.526 -P.130) 
   H6  \
             7.2740 (-A.251 -A.280 -A.282 -A.67 -A.196 -A.199 -A.200 -A.201 -A.314 -X.28 -X.29 -X.53 -X.72 -P.114) 
   H1'  \
             5.4700 (-A.19 -A.67 -A.118 -A.117 -A.339 -A.362 -A.245 -A.448 -G.82 -X.72 -X.98 -V.117 -V.246 -V.509) 
   H2'  2.0490 (-A.199 -A.166 -A.413 -V.117) 
   H2''  2.5390 (-A.165 -A.196 -A.118 -A.146 -A.407 -A.418 -X.10 -X.28 -X.98) 
   H3'  \
             4.7890 (-A.146 -A.300 -A.301 -A.362 -A.446 -G.143 -G.68 -G.99 -G.201 -X.47 -X.53 -V.301 -P.125) 
   H4'  4.3840 (-A.245 -P.23) 
   H5'  3.8490 (-G.30 -V.246 -P.25) 
END_RES_DEF

RES_ID		213
RES_TYPE	GUA
SPIN_SYSTEM_ID	313
HETEROGENEITY	100
   H1  12.3766 (-P.113 -P.114 -P.115 -P.116 -P.84 -P.130 -P.131) 
   H8  \
             8.0950 (-A.251 -A.252 -A.260 -A.262 -A.265 -A.264 -A.19 -A.20 -A.163 -A.164 -A.165 -A.166 -A.168 -A.310 -A.311 -X.9 -X.10 -X.11 -X.47 -V.167) 
   H1'  \
             5.3298 (-A.20 -A.68 -A.122 -A.153 -A.123 -A.127 -A.343 -A.232 -A.233 -A.234 -X.100 -X.101 -T.116) 
   H2'  2.8000 (-A.164 -A.153 -A.123 -A.408 -G.167 -X.11 -X.100 -V.301 -V.530) 
   H2''  2.8850 (-A.163 -A.198 -A.102 -A.122 -A.409 -A.446 -X.101 -V.531) 
   H3'  4.9762 (-A.232 -V.511) 
   H4'  4.3814 (-A.233 -A.372 -G.176 -G.183 -G.129) 
   H5'  3.9880 (-A.389 -A.234 -A.390 -G.29 -G.43 -G.185 -G.53 -G.77) 
   H5''  3.8506 (-G.14 -G.30 -V.509) 
END_RES_DEF

RES_ID		214
RES_TYPE	THY
SPIN_SYSTEM_ID	314
HETEROGENEITY	100
   H3  13.7720 (-P.104 -P.91 -P.71) 
   H5#  \
             1.4990 (-A.207 -A.168 -A.170 -A.96 -A.108 -A.127 -A.128 -A.406 -A.407 -A.408 -A.409 -A.425 -X.9 -X.30 -V.527 -V.530 -V.531) 
   H6  \
             7.3500 (-A.63 -A.60 -A.68 -A.69 -A.198 -A.207 -A.252 -A.257 -X.30 -X.39 -X.40 -X.52) 
   H1'  \
             5.6190 (-A.35 -A.60 -A.106 -A.107 -A.108 -A.335 -A.349 -A.236 -X.63 -X.92 -X.93 -T.116) 
   H2'  2.3810 (-A.107 -A.133 -A.406 -A.433 -A.436 -X.39 -X.93 -V.527) 
   H2''  2.5140 (-A.106 -A.134 -A.436 -X.13 -X.40 -X.92) 
   H3'  \
             5.0220 (-A.31 -A.69 -A.134 -A.133 -A.128 -A.349 -A.361 -A.375 -A.383 -X.52) 
   H4'  4.1430 (-A.236 -A.383 -G.184 -G.54 -G.156 -V.511) 
END_RES_DEF

RES_ID		215
RES_TYPE	GUA
SPIN_SYSTEM_ID	315
HETEROGENEITY	100
   H1  12.9720 (-P.111) 
   H8  \
             7.9420 (-A.255 -A.257 -A.265 -A.35 -A.33 -A.31 -A.170 -A.262 -A.264 -X.13 -X.14 -X.15 -X.49 -X.63 -V.244) 
   H1'  \
             6.1700 (-A.87 -A.88 -A.333 -A.340 -A.242 -A.377 -A.238 -A.462 -G.103 -G.90 -X.69 -X.81 -X.82 -V.329 -V.238 -T.108 -T.48 -G.196) 
   H2'  2.6340 (-A.289 -A.88 -A.135 -A.303 -X.14 -X.26 -X.81 -V.297) 
   H2''  2.7790 (-A.87 -A.301 -A.139 -G.144 -X.15 -X.82 -V.309 -V.518) 
   H3'  5.0774 (-A.139 -A.135 -A.302 -A.242 -A.348 -A.379 -A.386 -A.390 -X.49) 
   H4'  4.2695 (-A.377 -A.379 -G.79 -G.162) 
   H5'  4.1500 (-G.81 -V.238 -V.244) 
   H5''  4.1141 (-A.386 -G.46) 
END_RES_DEF

RES_ID		216
RES_TYPE	CYT
SPIN_SYSTEM_ID	316
HETEROGENEITY	100
   H5  \
             5.3870 (-A.33 -A.49 -A.124 -A.309 -A.340 -A.348 -A.369 -A.448 -V.309 -V.124 -V.297) 
   H6  \
             7.4560 (-A.249 -A.248 -A.279 -A.280 -A.281 -A.46 -A.49 -A.55 -A.289 -A.255 -X.26 -X.27 -X.56 -X.69) 
   H1'  6.1710 (-A.46 -A.89 -A.328 -A.237 -A.374 -G.90 -X.80) 
   H2'  2.2130 (-A.89 -A.149 -A.433 -X.27 -V.124) 
   H2''  2.2130 (-A.124 -X.80 -V.512) 
   H3'  4.4830 (-A.55 -A.149 -A.237 -A.369 -G.96 -X.56) 
   H4'  4.3449 (-A.374 -A.375 -G.42 -G.47 -G.129) 
   H5'  4.1629 (-G.41 -V.518) 
   H5''  4.1164 (-A.238 -G.46 -V.512) 
END_RES_DEF

RES_ID		*
RES_TYPE	UNK
PREV_TYPE	ARG(19.0)  GLU(16.7)  HIS(16.0)  TRP(15.7)  CYS(13.1)  \
		LYS(6.3)  GLN(6.3)  MET(6.0)  
SPIN_SYSTEM_ID	2
HETEROGENEITY	100
   CA:-1  56.5013 (A.408) 
   CB:-1  30.7981 (A.409) 
   HN  7.9003 (A.408 A.409 C.130 D.254 D.255 D.256) 
   N  127.0670 (A.408 A.409 C.130 D.254 D.255 D.256) 
   CA  57.5620
   CB  31.8885
END_RES_DEF

RES_ID		*
RES_TYPE	UNK
SPIN_SYSTEM_ID	97
HETEROGENEITY	100
   N  126.4700
   HN  7.2970
   HA  3.1400
END_RES_DEF


  Entry H atom name         Orig H atom name
  Start of MODEL           1
    1    H    ASP   3           HN       ASP   3  17.888 -10.952  -5.664
    2    HA   ASP   3           HA       ASP   3  17.616  -8.554  -3.897
    3   1HB   ASP   3           HB2      ASP   3  18.049  -8.608  -6.900
    4   2HB   ASP   3           HB1      ASP   3  17.580  -7.170  -5.994
    5    NH1  ARG   4           NH2      ARG   4  16.737  -4.936 -10.824
    6    NH2  ARG   4           NH1      ARG   4  16.221  -2.889 -10.012
    7    H    ARG   4           HN       ARG   4  16.220  -8.508  -7.029
    8    HA   ARG   4           HA       ARG   4  13.539  -8.388  -5.916
    9   1HB   ARG   4           HB2      ARG   4  14.437  -8.583  -8.797
   10   2HB   ARG   4           HB1      ARG   4  12.822  -8.139  -8.248
   11   1HG   ARG   4           HG2      ARG   4  13.437  -5.983  -7.790
   12   2HG   ARG   4           HG1      ARG   4  14.942  -6.484  -7.005
   13   1HD   ARG   4           HD2      ARG   4  16.064  -6.658  -9.108
   14   2HD   ARG   4           HD1      ARG   4  14.561  -6.539 -10.015
   15    HE   ARG   4           HE       ARG   4  14.718  -4.170  -8.542
   16   1HH1  ARG   4          HH21      ARG   4  16.611  -5.928 -10.810
   17   2HH1  ARG   4          HH22      ARG   4  17.377  -4.522 -11.471
   18   1HH2  ARG   4          HH11      ARG   4  15.701  -2.316  -9.380
   19   2HH2  ARG   4          HH12      ARG   4  16.858  -2.471 -10.657
   20    H    VAL   5           HN       VAL   5  12.073  -9.969  -5.800
   21    HA   VAL   5           HA       VAL   5  12.830 -12.685  -6.699
   22    HB   VAL   5           HB       VAL   5  10.360 -11.711  -5.225
   23   1HG1  VAL   5          HG13      VAL   5  11.024 -14.269  -6.389
   24   2HG1  VAL   5          HG12      VAL   5  11.079 -14.453  -4.642
   25   3HG1  VAL   5          HG11      VAL   5   9.615 -13.858  -5.416
   26   1HG2  VAL   5          HG21      VAL   5  13.054 -12.697  -4.254
   27   2HG2  VAL   5          HG23      VAL   5  12.249 -11.178  -3.865
   28   3HG2  VAL   5          HG22      VAL   5  11.626 -12.695  -3.222
   29    H    LYS   6           HN       LYS   6  11.335 -13.845  -8.125
   30    HA   LYS   6           HA       LYS   6  10.379 -12.169 -10.288
   31   1HB   LYS   6           HB2      LYS   6   9.297 -14.698 -10.755
   32   2HB   LYS   6           HB1      LYS   6  10.901 -14.179 -11.269
   33   1HG   LYS   6           HG2      LYS   6  11.953 -15.145  -9.372
   34   2HG   LYS   6           HG1      LYS   6  10.420 -15.334  -8.511
   35   1HD   LYS   6           HD2      LYS   6  10.760 -16.740 -11.155
   36   2HD   LYS   6           HD1      LYS   6  11.571 -17.405  -9.734
   37   1HE   LYS   6           HE2      LYS   6   9.511 -17.679  -8.561
   38   2HE   LYS   6           HE1      LYS   6   8.628 -16.691  -9.726
   39   1HZ   LYS   6           HZ2      LYS   6  10.022 -19.147 -10.576
   40   2HZ   LYS   6           HZ1      LYS   6   8.466 -19.225  -9.900
   41   3HZ   LYS   6           HZ3      LYS   6   8.725 -18.341 -11.323
   42    NH1  ARG   7           NH2      ARG   7  11.044  -9.096 -10.142
   43    NH2  ARG   7           NH1      ARG   7  10.915  -9.096 -12.398
   44    H    ARG   7           HN       ARG   7   8.149 -11.918 -10.949
   45    HA   ARG   7           HA       ARG   7   6.098 -12.696  -8.954
   46   1HB   ARG   7           HB2      ARG   7   5.121 -10.358  -9.107
   47   2HB   ARG   7           HB1      ARG   7   6.616 -10.498  -8.194
   48   1HG   ARG   7           HG2      ARG   7   6.670  -9.757 -11.125
   49   2HG   ARG   7           HG1      ARG   7   6.371  -8.540  -9.900
   50   1HD   ARG   7           HD2      ARG   7   8.579  -8.466  -9.332
   51   2HD   ARG   7           HD1      ARG   7   8.693 -10.213  -9.224
   52    HE   ARG   7           HE       ARG   7   8.528  -9.517 -11.983
   53   1HH1  ARG   7          HH21      ARG   7  10.602  -9.189  -9.249
   54   2HH1  ARG   7          HH22      ARG   7  12.030  -8.942 -10.198
   55   1HH2  ARG   7          HH11      ARG   7  10.373  -9.186 -13.235
   56   2HH2  ARG   7          HH12      ARG   7  11.899  -8.938 -12.455
   57    HA   PRO   8           HA       PRO   8   4.292 -13.576 -12.994
   58   1HB   PRO   8           HB2      PRO   8   1.725 -14.271 -11.995
   59   2HB   PRO   8           HB1      PRO   8   3.054 -15.391 -12.324
   60   1HG   PRO   8           HG2      PRO   8   2.045 -14.443  -9.722
   61   2HG   PRO   8           HG1      PRO   8   3.100 -15.813 -10.076
   62   1HD   PRO   8           HD2      PRO   8   3.895 -13.327  -8.933
   63   2HD   PRO   8           HD1      PRO   8   4.979 -14.606  -9.533
   64    H    MET   9           HN       MET   9   1.839 -12.984 -13.844
   65    HA   MET   9           HA       MET   9   1.733 -10.117 -13.882
   66   1HB   MET   9           HB2      MET   9  -0.448 -12.099 -14.605
   67   2HB   MET   9           HB1      MET   9  -0.336 -10.422 -15.144
   68   1HG   MET   9           HG2      MET   9   1.755 -12.541 -15.720
   69   2HG   MET   9           HG1      MET   9   0.494 -12.057 -16.853
   70   1HE   MET   9           HE3      MET   9   2.312 -11.899 -18.366
   71   2HE   MET   9           HE2      MET   9   3.254 -10.446 -18.678
   72   3HE   MET   9           HE1      MET   9   3.862 -11.657 -17.555
   73    H    ASN  10           HN       ASN  10   0.250  -8.718 -12.799
   74    HA   ASN  10           HA       ASN  10  -0.736  -9.774 -10.223
   75   1HB   ASN  10           HB2      ASN  10  -1.085  -6.957 -11.266
   76   2HB   ASN  10           HB1      ASN  10  -1.046  -7.505  -9.589
   77   1HD2  ASN  10          HD22      ASN  10   2.581  -8.053  -9.725
   78   2HD2  ASN  10          HD21      ASN  10   1.192  -8.874  -9.203
   79    H    ALA  11           HN       ALA  11  -2.933  -9.908  -9.672
   80    HA   ALA  11           HA       ALA  11  -4.829 -10.653 -11.544
   81   1HB   ALA  11           HB2      ALA  11  -4.979 -10.608  -8.946
   82   2HB   ALA  11           HB1      ALA  11  -5.675  -9.001  -9.165
   83   3HB   ALA  11           HB3      ALA  11  -6.469 -10.411  -9.872
   84    H    PHE  12           HN       PHE  12  -3.685  -7.446 -10.903
   85    HA   PHE  12           HA       PHE  12  -5.945  -6.109 -12.177
   86   1HB   PHE  12           HB2      PHE  12  -4.733  -4.832 -10.543
   87   2HB   PHE  12           HB1      PHE  12  -3.195  -5.158 -11.340
   88    HD1  PHE  12           HD1      PHE  12  -6.513  -3.473 -11.836
   89    HD2  PHE  12           HD2      PHE  12  -2.402  -3.743 -13.048
   90    HE1  PHE  12           HE1      PHE  12  -6.784  -1.448 -13.259
   91    HE2  PHE  12           HE2      PHE  12  -2.676  -1.731 -14.479
   92    HZ   PHE  12           HZ       PHE  12  -4.876  -0.580 -14.581
   93    H    ILE  13           HN       ILE  13  -2.503  -6.663 -13.149
   94    HA   ILE  13           HA       ILE  13  -2.973  -5.685 -15.803
   95    HB   ILE  13           HB       ILE  13  -0.778  -7.397 -14.601
   96   1HG1  ILE  13          HG12      ILE  13  -0.709  -4.723 -16.050
   97   2HG1  ILE  13          HG11      ILE  13  -0.985  -4.871 -14.331
   98   1HG2  ILE  13          HG23      ILE  13  -1.426  -6.998 -17.511
   99   2HG2  ILE  13          HG22      ILE  13   0.257  -6.954 -17.047
  100   3HG2  ILE  13          HG21      ILE  13  -0.699  -8.384 -16.716
  101   1HD1  ILE  13          HD13      ILE  13   1.218  -5.983 -14.073
  102   2HD1  ILE  13          HD12      ILE  13   1.524  -5.738 -15.791
  103   3HD1  ILE  13          HD11      ILE  13   1.344  -4.350 -14.728
  104    H    VAL  14           HN       VAL  14  -3.699  -8.753 -14.269
  105    HA   VAL  14           HA       VAL  14  -3.908 -10.428 -16.546
  106    HB   VAL  14           HB       VAL  14  -5.721 -10.269 -14.109
  107   1HG1  VAL  14          HG12      VAL  14  -6.847 -11.405 -16.068
  108   2HG1  VAL  14          HG11      VAL  14  -5.489 -12.524 -16.133
  109   3HG1  VAL  14          HG13      VAL  14  -6.537 -12.486 -14.719
  110   1HG2  VAL  14          HG22      VAL  14  -3.383 -12.040 -14.876
  111   2HG2  VAL  14          HG21      VAL  14  -3.427 -10.862 -13.569
  112   3HG2  VAL  14          HG23      VAL  14  -4.414 -12.317 -13.473
  113    CH2  TRP  15           CH2      TRP  15 -10.101  -6.500 -11.042
  114    H    TRP  15           HN       TRP  15  -6.353  -8.154 -15.198
  115    HA   TRP  15           HA       TRP  15  -8.308  -8.489 -17.216
  116   1HB   TRP  15           HB2      TRP  15  -7.472  -6.052 -15.624
  117   2HB   TRP  15           HB1      TRP  15  -8.731  -5.935 -16.847
  118    HD1  TRP  15           HD1      TRP  15 -10.427  -8.459 -16.399
  119    HE1  TRP  15           HE1      TRP  15 -11.716  -8.834 -14.205
  120    HE3  TRP  15           HE3      TRP  15  -7.818  -5.333 -13.307
  121    HZ2  TRP  15           HZ2      TRP  15 -11.657  -7.933 -11.489
  122    HZ3  TRP  15           HZ3      TRP  15  -8.458  -5.102 -10.916
  123    HH2  TRP  15           HH2      TRP  15 -10.378  -6.395 -10.004
  124    H    SER  16           HN       SER  16  -5.648  -6.124 -17.068
  125    HA   SER  16           HA       SER  16  -5.817  -4.903 -19.495
  126   1HB   SER  16           HB2      SER  16  -3.921  -4.755 -17.736
  127   2HB   SER  16           HB1      SER  16  -3.154  -6.028 -18.676
  128    HG   SER  16           HG       SER  16  -3.510  -4.606 -20.530
  129    NH1  ARG  17           NH2      ARG  17   0.710 -10.225 -21.876
  130    NH2  ARG  17           NH1      ARG  17  -0.365 -11.747 -23.156
  131    H    ARG  17           HN       ARG  17  -4.075  -7.997 -19.073
  132    HA   ARG  17           HA       ARG  17  -3.461  -8.627 -21.682
  133   1HB   ARG  17           HB2      ARG  17  -4.795 -10.564 -19.776
  134   2HB   ARG  17           HB1      ARG  17  -3.732 -10.977 -21.112
  135   1HG   ARG  17           HG2      ARG  17  -2.871  -9.245 -18.782
  136   2HG   ARG  17           HG1      ARG  17  -2.647 -10.984 -18.811
  137   1HD   ARG  17           HD2      ARG  17  -1.387  -8.929 -20.636
  138   2HD   ARG  17           HD1      ARG  17  -0.583 -10.021 -19.527
  139    HE   ARG  17           HE       ARG  17  -2.122 -11.519 -21.461
  140   1HH1  ARG  17          HH21      ARG  17   0.736  -9.639 -21.065
  141   2HH1  ARG  17          HH22      ARG  17   1.497 -10.262 -22.492
  142   1HH2  ARG  17          HH11      ARG  17  -1.163 -12.325 -23.327
  143   2HH2  ARG  17          HH12      ARG  17   0.419 -11.781 -23.775
  144    H    ASP  18           HN       ASP  18  -6.444 -10.114 -20.395
  145    HA   ASP  18           HA       ASP  18  -7.580 -10.296 -23.066
  146   1HB   ASP  18           HB2      ASP  18  -8.886 -10.864 -20.399
  147   2HB   ASP  18           HB1      ASP  18  -9.433 -11.429 -21.978
  148    H    GLN  19           HN       GLN  19  -8.672  -8.472 -20.155
  149    HA   GLN  19           HA       GLN  19 -11.001  -7.336 -21.215
  150   1HB   GLN  19           HB2      GLN  19 -10.204  -7.003 -18.873
  151   2HB   GLN  19           HB1      GLN  19  -8.949  -5.928 -19.478
  152   1HG   GLN  19           HG2      GLN  19 -10.856  -4.639 -18.638
  153   2HG   GLN  19           HG1      GLN  19 -10.675  -4.404 -20.376
  154   1HE2  GLN  19          HE22      GLN  19 -13.908  -6.420 -18.909
  155   2HE2  GLN  19          HE21      GLN  19 -12.574  -6.106 -17.913
  156    NH1  ARG  20           NH2      ARG  20  -3.480  -4.589 -25.137
  157    NH2  ARG  20           NH1      ARG  20  -2.249  -2.796 -25.626
  158    H    ARG  20           HN       ARG  20  -7.781  -5.969 -21.333
  159    HA   ARG  20           HA       ARG  20  -8.286  -3.641 -22.834
  160   1HB   ARG  20           HB2      ARG  20  -6.283  -4.389 -21.587
  161   2HB   ARG  20           HB1      ARG  20  -5.957  -5.514 -22.889
  162   1HG   ARG  20           HG2      ARG  20  -5.529  -3.772 -24.419
  163   2HG   ARG  20           HG1      ARG  20  -6.067  -2.544 -23.269
  164   1HD   ARG  20           HD2      ARG  20  -4.227  -2.856 -21.854
  165   2HD   ARG  20           HD1      ARG  20  -3.904  -4.488 -22.419
  166    HE   ARG  20           HE       ARG  20  -2.768  -2.063 -23.408
  167   1HH1  ARG  20          HH21      ARG  20  -4.037  -5.103 -24.484
  168   2HH1  ARG  20          HH22      ARG  20  -3.291  -4.970 -26.043
  169   1HH2  ARG  20          HH11      ARG  20  -1.858  -1.922 -25.360
  170   2HH2  ARG  20          HH12      ARG  20  -2.040  -3.190 -26.516
  171    NH1  ARG  21           NH2      ARG  21  -5.722  -8.414 -30.720
  172    NH2  ARG  21           NH1      ARG  21  -5.196 -10.608 -30.564
  173    H    ARG  21           HN       ARG  21  -7.532  -6.981 -23.923
  174    HA   ARG  21           HA       ARG  21  -7.194  -6.398 -26.638
  175   1HB   ARG  21           HB2      ARG  21  -6.796  -8.664 -25.946
  176   2HB   ARG  21           HB1      ARG  21  -8.419  -8.822 -25.296
  177   1HG   ARG  21           HG2      ARG  21  -8.299 -10.039 -27.393
  178   2HG   ARG  21           HG1      ARG  21  -9.336  -8.645 -27.633
  179   1HD   ARG  21           HD2      ARG  21  -8.006  -8.141 -29.430
  180   2HD   ARG  21           HD1      ARG  21  -6.749  -7.711 -28.292
  181    HE   ARG  21           HE       ARG  21  -6.692 -10.534 -28.612
  182   1HH1  ARG  21          HH21      ARG  21  -6.211  -7.614 -30.372
  183   2HH1  ARG  21          HH22      ARG  21  -5.127  -8.326 -31.520
  184   1HH2  ARG  21          HH11      ARG  21  -5.284 -11.487 -30.097
  185   2HH2  ARG  21          HH12      ARG  21  -4.603 -10.523 -31.364
  186    H    LYS  22           HN       LYS  22 -10.140  -6.623 -24.706
  187    HA   LYS  22           HA       LYS  22 -12.003  -6.513 -26.893
  188   1HB   LYS  22           HB2      LYS  22 -12.579  -7.090 -24.536
  189   2HB   LYS  22           HB1      LYS  22 -12.253  -5.428 -24.086
  190   1HG   LYS  22           HG2      LYS  22 -14.045  -4.933 -26.029
  191   2HG   LYS  22           HG1      LYS  22 -14.569  -6.554 -25.601
  192   1HD   LYS  22           HD2      LYS  22 -15.840  -5.121 -24.190
  193   2HD   LYS  22           HD1      LYS  22 -14.564  -5.764 -23.160
  194   1HE   LYS  22           HE2      LYS  22 -13.375  -3.725 -23.144
  195   2HE   LYS  22           HE1      LYS  22 -14.167  -3.141 -24.607
  196   1HZ   LYS  22           HZ3      LYS  22 -15.579  -3.621 -22.045
  197   2HZ   LYS  22           HZ2      LYS  22 -14.943  -2.110 -22.502
  198   3HZ   LYS  22           HZ1      LYS  22 -16.179  -2.830 -23.423
  199    H    MET  23           HN       MET  23 -10.534  -3.963 -24.876
  200    HA   MET  23           HA       MET  23 -11.805  -1.758 -26.181
  201   1HB   MET  23           HB2      MET  23 -10.475  -1.787 -23.968
  202   2HB   MET  23           HB1      MET  23  -9.034  -1.650 -24.975
  203   1HG   MET  23           HG2      MET  23  -9.640   0.584 -24.389
  204   2HG   MET  23           HG1      MET  23 -10.152   0.372 -26.065
  205   1HE   MET  23           HE1      MET  23 -10.875   2.535 -24.259
  206   2HE   MET  23           HE3      MET  23 -12.109   2.656 -25.516
  207   3HE   MET  23           HE2      MET  23 -12.573   2.663 -23.821
  208    H    ALA  24           HN       ALA  24  -8.967  -3.671 -26.990
  209    HA   ALA  24           HA       ALA  24  -7.932  -1.816 -28.947
  210   1HB   ALA  24           HB1      ALA  24  -7.368  -4.607 -28.097
  211   2HB   ALA  24           HB3      ALA  24  -6.864  -4.192 -29.735
  212   3HB   ALA  24           HB2      ALA  24  -6.248  -3.274 -28.361
  213    H    LEU  25           HN       LEU  25 -10.337  -4.383 -29.078
  214    HA   LEU  25           HA       LEU  25 -10.358  -4.740 -31.925
  215   1HB   LEU  25           HB2      LEU  25 -12.559  -5.094 -29.877
  216   2HB   LEU  25           HB1      LEU  25 -12.676  -5.623 -31.554
  217    HG   LEU  25           HG       LEU  25 -10.519  -6.522 -29.637
  218   1HD1  LEU  25          HD11      LEU  25 -12.965  -7.243 -29.136
  219   2HD1  LEU  25          HD13      LEU  25 -12.810  -8.232 -30.589
  220   3HD1  LEU  25          HD12      LEU  25 -11.731  -8.497 -29.221
  221   1HD2  LEU  25          HD22      LEU  25 -11.178  -7.120 -32.507
  222   2HD2  LEU  25          HD21      LEU  25  -9.604  -6.918 -31.741
  223   3HD2  LEU  25          HD23      LEU  25 -10.506  -8.413 -31.518
  224    H    GLU  26           HN       GLU  26 -12.790  -3.026 -29.956
  225    HA   GLU  26           HA       GLU  26 -13.793  -1.641 -32.315
  226   1HB   GLU  26           HB2      GLU  26 -14.447  -1.487 -29.369
  227   2HB   GLU  26           HB1      GLU  26 -15.267  -0.509 -30.588
  228   1HG   GLU  26           HG2      GLU  26 -15.959  -2.552 -31.775
  229   2HG   GLU  26           HG1      GLU  26 -15.124  -3.538 -30.574
  230    H    ASN  27           HN       ASN  27 -11.430  -0.920 -29.861
  231    HA   ASN  27           HA       ASN  27 -11.205   1.853 -30.983
  232   1HB   ASN  27           HB2      ASN  27 -11.185   1.042 -28.070
  233   2HB   ASN  27           HB1      ASN  27 -10.734   2.621 -28.680
  234   1HD2  ASN  27          HD22      ASN  27 -14.044   3.735 -29.052
  235   2HD2  ASN  27          HD21      ASN  27 -12.390   4.112 -29.146
  236    HA   PRO  28           HA       PRO  28  -7.088  -0.444 -30.584
  237   1HB   PRO  28           HB2      PRO  28  -6.554  -0.232 -33.367
  238   2HB   PRO  28           HB1      PRO  28  -7.037  -1.698 -32.504
  239   1HG   PRO  28           HG2      PRO  28  -8.643  -0.019 -34.317
  240   2HG   PRO  28           HG1      PRO  28  -8.979  -1.655 -33.729
  241   1HD   PRO  28           HD2      PRO  28 -10.262   0.743 -32.866
  242   2HD   PRO  28           HD1      PRO  28 -10.394  -0.861 -32.121
  243    NH1  ARG  29           NH2      ARG  29  -5.113   4.068 -36.710
  244    NH2  ARG  29           NH1      ARG  29  -5.860   2.406 -38.049
  245    H    ARG  29           HN       ARG  29  -8.361   2.553 -31.493
  246    HA   ARG  29           HA       ARG  29  -5.607   3.766 -31.694
  247   1HB   ARG  29           HB2      ARG  29  -8.184   4.751 -32.934
  248   2HB   ARG  29           HB1      ARG  29  -6.613   5.541 -33.052
  249   1HG   ARG  29           HG2      ARG  29  -5.701   3.760 -34.352
  250   2HG   ARG  29           HG1      ARG  29  -7.066   2.701 -33.983
  251   1HD   ARG  29           HD2      ARG  29  -8.569   4.223 -35.199
  252   2HD   ARG  29           HD1      ARG  29  -7.218   5.292 -35.565
  253    HE   ARG  29           HE       ARG  29  -7.982   2.805 -36.909
  254   1HH1  ARG  29          HH21      ARG  29  -5.285   4.752 -36.001
  255   2HH1  ARG  29          HH22      ARG  29  -4.209   4.000 -37.132
  256   1HH2  ARG  29          HH11      ARG  29  -6.604   1.817 -38.364
  257   2HH2  ARG  29          HH12      ARG  29  -4.955   2.336 -38.467
  258    H    MET  30           HN       MET  30  -6.091   3.763 -29.154
  259    HA   MET  30           HA       MET  30  -7.922   5.939 -28.378
  260   1HB   MET  30           HB2      MET  30  -5.873   4.434 -26.707
  261   2HB   MET  30           HB1      MET  30  -7.084   5.553 -26.084
  262   1HG   MET  30           HG2      MET  30  -7.602   2.908 -27.471
  263   2HG   MET  30           HG1      MET  30  -7.898   3.288 -25.777
  264   1HE   MET  30           HE2      MET  30  -9.469   4.803 -24.876
  265   2HE   MET  30           HE1      MET  30  -9.310   6.258 -25.858
  266   3HE   MET  30           HE3      MET  30 -10.890   5.494 -25.646
  267    NH1  ARG  31           NH2      ARG  31  -9.073   9.486 -32.723
  268    NH2  ARG  31           NH1      ARG  31  -8.149  11.174 -33.910
  269    H    ARG  31           HN       ARG  31  -7.365   8.012 -28.359
  270    HA   ARG  31           HA       ARG  31  -4.770   8.953 -29.172
  271   1HB   ARG  31           HB2      ARG  31  -7.228  10.203 -27.969
  272   2HB   ARG  31           HB1      ARG  31  -5.751  11.148 -28.015
  273   1HG   ARG  31           HG2      ARG  31  -7.425  11.436 -29.934
  274   2HG   ARG  31           HG1      ARG  31  -5.733  11.248 -30.346
  275   1HD   ARG  31           HD2      ARG  31  -6.209   8.845 -30.891
  276   2HD   ARG  31           HD1      ARG  31  -7.908   9.130 -30.532
  277    HE   ARG  31           HE       ARG  31  -6.219  10.734 -32.519
  278   1HH1  ARG  31          HH21      ARG  31  -9.002   8.790 -32.011
  279   2HH1  ARG  31          HH22      ARG  31  -9.900   9.550 -33.279
  280   1HH2  ARG  31          HH11      ARG  31  -7.369  11.771 -34.098
  281   2HH2  ARG  31          HH12      ARG  31  -8.980  11.251 -34.458
  282    H    ASN  32           HN       ASN  32  -6.358   9.756 -26.147
  283    HA   ASN  32           HA       ASN  32  -3.776   9.986 -24.788
  284   1HB   ASN  32           HB2      ASN  32  -6.644  10.426 -23.947
  285   2HB   ASN  32           HB1      ASN  32  -5.264  10.699 -22.881
  286   1HD2  ASN  32          HD22      ASN  32  -5.846  13.986 -24.395
  287   2HD2  ASN  32          HD21      ASN  32  -6.536  12.981 -23.216
  288    H    SER  33           HN       SER  33  -4.295   9.282 -22.269
  289    HA   SER  33           HA       SER  33  -4.322   6.325 -22.371
  290   1HB   SER  33           HB2      SER  33  -3.352   8.429 -20.464
  291   2HB   SER  33           HB1      SER  33  -3.757   6.845 -19.803
  292    HG   SER  33           HG       SER  33  -1.894   7.502 -21.838
  293    H    GLU  34           HN       GLU  34  -6.793   6.919 -22.936
  294    HA   GLU  34           HA       GLU  34  -8.438   7.543 -20.599
  295   1HB   GLU  34           HB2      GLU  34  -9.227   6.513 -23.344
  296   2HB   GLU  34           HB1      GLU  34 -10.339   7.132 -22.123
  297   1HG   GLU  34           HG2      GLU  34  -8.829   9.271 -22.186
  298   2HG   GLU  34           HG1      GLU  34  -8.265   8.624 -23.729
  299    H    ILE  35           HN       ILE  35  -7.718   4.647 -22.542
  300    HA   ILE  35           HA       ILE  35  -9.406   2.801 -21.294
  301    HB   ILE  35           HB       ILE  35  -8.219   1.937 -23.087
  302   1HG1  ILE  35          HG12      ILE  35  -8.106   0.450 -20.967
  303   2HG1  ILE  35          HG11      ILE  35  -7.111   0.014 -22.347
  304   1HG2  ILE  35          HG23      ILE  35  -5.907   3.470 -21.962
  305   2HG2  ILE  35          HG22      ILE  35  -5.558   2.080 -22.990
  306   3HG2  ILE  35          HG21      ILE  35  -6.534   3.411 -23.604
  307   1HD1  ILE  35          HD13      ILE  35  -5.695   1.808 -20.463
  308   2HD1  ILE  35          HD12      ILE  35  -6.193   0.298 -19.728
  309   3HD1  ILE  35          HD11      ILE  35  -5.174   0.284 -21.163
  310    H    SER  36           HN       SER  36  -6.887   4.621 -19.911
  311    HA   SER  36           HA       SER  36  -6.295   2.778 -17.719
  312   1HB   SER  36           HB2      SER  36  -5.645   5.710 -18.123
  313   2HB   SER  36           HB1      SER  36  -5.013   4.713 -16.816
  314    HG   SER  36           HG       SER  36  -3.555   4.103 -18.189
  315    H    LYS  37           HN       LYS  37  -7.776   6.048 -17.780
  316    HA   LYS  37           HA       LYS  37  -8.848   5.835 -15.123
  317   1HB   LYS  37           HB2      LYS  37  -9.697   7.595 -17.449
  318   2HB   LYS  37           HB1      LYS  37 -10.308   7.760 -15.807
  319   1HG   LYS  37           HG2      LYS  37  -8.508   9.359 -16.145
  320   2HG   LYS  37           HG1      LYS  37  -7.975   8.124 -15.003
  321   1HD   LYS  37           HD2      LYS  37  -6.501   7.152 -16.524
  322   2HD   LYS  37           HD1      LYS  37  -7.414   7.704 -17.929
  323   1HE   LYS  37           HE2      LYS  37  -5.116   8.856 -17.291
  324   2HE   LYS  37           HE1      LYS  37  -6.460   9.822 -17.896
  325   1HZ   LYS  37           HZ3      LYS  37  -6.997   9.796 -15.290
  326   2HZ   LYS  37           HZ2      LYS  37  -5.302   9.704 -15.236
  327   3HZ   LYS  37           HZ1      LYS  37  -6.062  10.992 -16.041
  328    H    GLN  38           HN       GLN  38  -9.972   4.759 -18.250
  329    HA   GLN  38           HA       GLN  38 -12.742   4.485 -17.572
  330   1HB   GLN  38           HB2      GLN  38 -11.009   3.094 -19.622
  331   2HB   GLN  38           HB1      GLN  38 -12.737   2.781 -19.471
  332   1HG   GLN  38           HG2      GLN  38 -11.672   5.591 -19.782
  333   2HG   GLN  38           HG1      GLN  38 -12.001   4.571 -21.182
  334   1HE2  GLN  38          HE22      GLN  38 -15.244   6.075 -20.933
  335   2HE2  GLN  38          HE21      GLN  38 -13.751   6.169 -21.735
  336    H    LEU  39           HN       LEU  39 -10.035   2.149 -17.437
  337    HA   LEU  39           HA       LEU  39 -11.610  -0.016 -16.476
  338   1HB   LEU  39           HB2      LEU  39  -8.705   0.709 -16.046
  339   2HB   LEU  39           HB1      LEU  39  -9.405  -0.760 -15.387
  340    HG   LEU  39           HG       LEU  39  -9.695  -0.114 -18.315
  341   1HD1  LEU  39          HD11      LEU  39  -7.255  -0.064 -17.675
  342   2HD1  LEU  39          HD13      LEU  39  -7.436  -1.716 -17.084
  343   3HD1  LEU  39          HD12      LEU  39  -7.670  -1.360 -18.794
  344   1HD2  LEU  39          HD22      LEU  39  -9.710  -2.670 -16.689
  345   2HD2  LEU  39          HD21      LEU  39 -11.080  -1.946 -17.526
  346   3HD2  LEU  39          HD23      LEU  39  -9.743  -2.623 -18.447
  347    H    GLY  40           HN       GLY  40 -10.178   2.756 -14.835
  348   1HA   GLY  40           HA2      GLY  40 -10.526   1.942 -12.153
  349   2HA   GLY  40           HA1      GLY  40 -10.660   3.616 -12.697
  350    OH   TYR  41           OH       TYR  41 -20.926   2.160 -14.981
  351    H    TYR  41           HN       TYR  41 -12.856   3.311 -14.467
  352    HA   TYR  41           HA       TYR  41 -15.062   3.509 -12.658
  353   1HB   TYR  41           HB2      TYR  41 -15.295   4.630 -14.747
  354   2HB   TYR  41           HB1      TYR  41 -14.904   3.177 -15.659
  355    HD1  TYR  41           HD1      TYR  41 -17.509   4.920 -13.709
  356    HD2  TYR  41           HD2      TYR  41 -16.529   1.390 -15.980
  357    HE1  TYR  41           HE1      TYR  41 -19.919   4.307 -13.792
  358    HE2  TYR  41           HE2      TYR  41 -18.942   0.778 -16.067
  359    HH   TYR  41           HH       TYR  41 -21.355   2.725 -15.627
  360    H    GLN  42           HN       GLN  42 -13.886   0.834 -14.686
  361    HA   GLN  42           HA       GLN  42 -16.052  -0.967 -14.176
  362   1HB   GLN  42           HB2      GLN  42 -13.161  -1.328 -14.962
  363   2HB   GLN  42           HB1      GLN  42 -14.169  -2.733 -14.630
  364   1HG   GLN  42           HG2      GLN  42 -15.204  -0.614 -16.508
  365   2HG   GLN  42           HG1      GLN  42 -13.996  -1.759 -17.092
  366   1HE2  GLN  42          HE22      GLN  42 -16.201  -4.566 -17.000
  367   2HE2  GLN  42          HE21      GLN  42 -14.569  -4.085 -17.032
  368    CH2  TRP  43           CH2      TRP  43 -10.212  -3.770 -14.377
  369    H    TRP  43           HN       TRP  43 -13.113  -0.207 -12.397
  370    HA   TRP  43           HA       TRP  43 -13.215  -2.344 -10.493
  371   1HB   TRP  43           HB2      TRP  43 -12.142   0.455 -10.174
  372   2HB   TRP  43           HB1      TRP  43 -11.722  -0.940  -9.184
  373    HD1  TRP  43           HD1      TRP  43  -9.399   0.408 -10.555
  374    HE1  TRP  43           HE1      TRP  43  -8.046  -0.707 -12.427
  375    HE3  TRP  43           HE3      TRP  43 -12.810  -3.057 -12.338
  376    HZ2  TRP  43           HZ2      TRP  43  -8.306  -2.771 -14.359
  377    HZ3  TRP  43           HZ3      TRP  43 -12.201  -4.572 -14.149
  378    HH2  TRP  43           HH2      TRP  43  -9.949  -4.435 -15.186
  379    H    LYS  44           HN       LYS  44 -14.693   0.910 -10.390
  380    HA   LYS  44           HA       LYS  44 -15.800   0.459  -7.759
  381   1HB   LYS  44           HB2      LYS  44 -16.599   2.375  -9.970
  382   2HB   LYS  44           HB1      LYS  44 -17.322   2.381  -8.366
  383   1HG   LYS  44           HG2      LYS  44 -15.590   3.631  -7.563
  384   2HG   LYS  44           HG1      LYS  44 -14.455   2.367  -8.017
  385   1HD   LYS  44           HD2      LYS  44 -14.593   3.369 -10.406
  386   2HD   LYS  44           HD1      LYS  44 -15.345   4.765  -9.640
  387   1HE   LYS  44           HE2      LYS  44 -12.755   3.767  -8.474
  388   2HE   LYS  44           HE1      LYS  44 -12.695   4.625 -10.012
  389   1HZ   LYS  44           HZ2      LYS  44 -14.102   5.673  -7.625
  390   2HZ   LYS  44           HZ1      LYS  44 -12.499   6.051  -8.010
  391   3HZ   LYS  44           HZ3      LYS  44 -13.744   6.500  -9.060
  392    H    MET  45           HN       MET  45 -16.446  -0.881 -10.766
  393    HA   MET  45           HA       MET  45 -18.923  -2.162  -9.752
  394   1HB   MET  45           HB2      MET  45 -18.758  -0.823 -12.478
  395   2HB   MET  45           HB1      MET  45 -20.095  -1.820 -11.907
  396   1HG   MET  45           HG2      MET  45 -20.886   0.324 -11.436
  397   2HG   MET  45           HG1      MET  45 -20.128  -0.099  -9.900
  398   1HE   MET  45           HE1      MET  45 -20.863   2.395 -10.213
  399   2HE   MET  45           HE3      MET  45 -19.533   3.553 -10.107
  400   3HE   MET  45           HE2      MET  45 -20.344   3.278 -11.644
  401    H    LEU  46           HN       LEU  46 -17.014  -3.733  -9.614
  402    HA   LEU  46           HA       LEU  46 -15.713  -4.761 -11.921
  403   1HB   LEU  46           HB2      LEU  46 -16.404  -6.043  -9.268
  404   2HB   LEU  46           HB1      LEU  46 -15.386  -6.807 -10.483
  405    HG   LEU  46           HG       LEU  46 -14.703  -4.021  -9.565
  406   1HD1  LEU  46          HD12      LEU  46 -15.002  -5.363  -7.498
  407   2HD1  LEU  46          HD11      LEU  46 -13.910  -6.588  -8.150
  408   3HD1  LEU  46          HD13      LEU  46 -13.304  -4.972  -7.779
  409   1HD2  LEU  46          HD22      LEU  46 -13.102  -6.431 -10.485
  410   2HD2  LEU  46          HD21      LEU  46 -13.464  -5.011 -11.448
  411   3HD2  LEU  46          HD23      LEU  46 -12.406  -4.875 -10.048
  412    H    THR  47           HN       THR  47 -16.376  -6.139 -13.501
  413    HA   THR  47           HA       THR  47 -19.168  -7.049 -13.529
  414    HB   THR  47           HB       THR  47 -18.607  -7.862 -15.799
  415    HG1  THR  47           HG1      THR  47 -16.004  -6.945 -15.155
  416   1HG2  THR  47          HG23      THR  47 -19.150  -5.447 -15.366
  417   2HG2  THR  47          HG22      THR  47 -17.416  -5.124 -15.310
  418   3HG2  THR  47          HG21      THR  47 -18.156  -5.712 -16.799
  419    H    GLU  48           HN       GLU  48 -19.724  -8.946 -12.554
  420    HA   GLU  48           HA       GLU  48 -17.882 -10.846 -11.518
  421   1HB   GLU  48           HB2      GLU  48 -20.757 -11.362 -12.321
  422   2HB   GLU  48           HB1      GLU  48 -19.812 -12.272 -11.141
  423   1HG   GLU  48           HG2      GLU  48 -19.608 -10.248  -9.741
  424   2HG   GLU  48           HG1      GLU  48 -20.560  -9.341 -10.917
  425    H    ALA  49           HN       ALA  49 -19.286 -10.563 -14.707
  426    HA   ALA  49           HA       ALA  49 -18.900 -13.220 -15.637
  427   1HB   ALA  49           HB2      ALA  49 -18.800 -10.535 -17.023
  428   2HB   ALA  49           HB1      ALA  49 -18.626 -12.053 -17.906
  429   3HB   ALA  49           HB3      ALA  49 -20.119 -11.711 -17.029
  430    H    GLU  50           HN       GLU  50 -16.626 -10.663 -15.007
  431    HA   GLU  50           HA       GLU  50 -14.438 -12.128 -16.409
  432   1HB   GLU  50           HB2      GLU  50 -14.819  -9.321 -15.397
  433   2HB   GLU  50           HB1      GLU  50 -13.197  -9.927 -15.739
  434   1HG   GLU  50           HG2      GLU  50 -14.116  -8.785 -17.711
  435   2HG   GLU  50           HG1      GLU  50 -13.922 -10.508 -18.039
  436    H    LYS  51           HN       LYS  51 -15.573 -11.308 -13.193
  437    HA   LYS  51           HA       LYS  51 -13.075 -11.649 -11.815
  438   1HB   LYS  51           HB2      LYS  51 -15.897 -12.055 -10.806
  439   2HB   LYS  51           HB1      LYS  51 -14.465 -11.913  -9.791
  440   1HG   LYS  51           HG2      LYS  51 -14.076  -9.636 -10.615
  441   2HG   LYS  51           HG1      LYS  51 -15.456  -9.779 -11.698
  442   1HD   LYS  51           HD2      LYS  51 -16.423  -8.685  -9.861
  443   2HD   LYS  51           HD1      LYS  51 -16.807 -10.358  -9.524
  444   1HE   LYS  51           HE2      LYS  51 -14.246  -9.930  -8.357
  445   2HE   LYS  51           HE1      LYS  51 -15.227  -8.531  -7.923
  446   1HZ   LYS  51           HZ3      LYS  51 -16.269 -11.283  -7.695
  447   2HZ   LYS  51           HZ2      LYS  51 -15.370 -10.566  -6.446
  448   3HZ   LYS  51           HZ1      LYS  51 -16.839  -9.873  -6.946
  449    CH2  TRP  52           CH2      TRP  52 -17.550 -21.312 -13.149
  450    H    TRP  52           HN       TRP  52 -15.834 -13.788 -11.251
  451    HA   TRP  52           HA       TRP  52 -14.546 -15.909 -10.188
  452   1HB   TRP  52           HB2      TRP  52 -16.931 -15.925 -10.381
  453   2HB   TRP  52           HB1      TRP  52 -16.856 -16.102 -12.121
  454    HD1  TRP  52           HD1      TRP  52 -15.197 -17.965  -9.165
  455    HE1  TRP  52           HE1      TRP  52 -15.454 -20.501  -9.560
  456    HE3  TRP  52           HE3      TRP  52 -17.771 -17.924 -13.592
  457    HZ2  TRP  52           HZ2      TRP  52 -16.584 -22.273 -11.470
  458    HZ3  TRP  52           HZ3      TRP  52 -18.427 -20.063 -14.680
  459    HH2  TRP  52           HH2      TRP  52 -17.837 -22.238 -13.625
  460    HA   PRO  53           HA       PRO  53 -13.635 -18.082 -14.522
  461   1HB   PRO  53           HB2      PRO  53 -12.622 -15.823 -16.093
  462   2HB   PRO  53           HB1      PRO  53 -13.799 -17.063 -16.549
  463   1HG   PRO  53           HG2      PRO  53 -14.312 -14.323 -15.724
  464   2HG   PRO  53           HG1      PRO  53 -15.480 -15.526 -16.288
  465   1HD   PRO  53           HD2      PRO  53 -15.307 -14.549 -13.662
  466   2HD   PRO  53           HD1      PRO  53 -16.146 -16.023 -14.161
  467    H    PHE  54           HN       PHE  54 -11.514 -15.170 -14.619
  468    HA   PHE  54           HA       PHE  54  -9.233 -16.942 -14.304
  469   1HB   PHE  54           HB2      PHE  54  -7.849 -15.062 -14.747
  470   2HB   PHE  54           HB1      PHE  54  -9.251 -14.967 -15.808
  471    HD1  PHE  54           HD1      PHE  54  -7.791 -13.665 -12.633
  472    HD2  PHE  54           HD2      PHE  54 -10.729 -13.106 -15.737
  473    HE1  PHE  54           HE1      PHE  54  -8.267 -11.379 -11.774
  474    HE2  PHE  54           HE2      PHE  54 -11.207 -10.825 -14.875
  475    HZ   PHE  54           HZ       PHE  54  -9.964  -9.967 -12.905
  476    H    PHE  55           HN       PHE  55 -11.026 -15.247 -11.844
  477    HA   PHE  55           HA       PHE  55  -8.792 -14.772 -10.095
  478   1HB   PHE  55           HB2      PHE  55 -11.736 -15.014  -9.676
  479   2HB   PHE  55           HB1      PHE  55 -10.719 -15.213  -8.256
  480    HD1  PHE  55           HD1      PHE  55 -11.189 -12.857 -11.188
  481    HD2  PHE  55           HD2      PHE  55 -10.033 -13.337  -7.067
  482    HE1  PHE  55           HE1      PHE  55 -11.002 -10.393 -10.943
  483    HE2  PHE  55           HE2      PHE  55  -9.820 -10.876  -6.839
  484    HZ   PHE  55           HZ       PHE  55 -10.304  -9.402  -8.779
  485    H    GLN  56           HN       GLN  56 -10.786 -17.690 -10.570
  486    HA   GLN  56           HA       GLN  56  -9.817 -19.187  -8.391
  487   1HB   GLN  56           HB2      GLN  56 -10.695 -19.962 -11.167
  488   2HB   GLN  56           HB1      GLN  56 -10.112 -21.191 -10.045
  489   1HG   GLN  56           HG2      GLN  56 -11.989 -21.071  -8.720
  490   2HG   GLN  56           HG1      GLN  56 -12.118 -19.320  -8.878
  491   1HE2  GLN  56          HE22      GLN  56 -13.854 -19.685 -12.122
  492   2HE2  GLN  56          HE21      GLN  56 -12.482 -18.873 -11.543
  493    H    GLU  57           HN       GLU  57  -8.370 -18.865 -11.638
  494    HA   GLU  57           HA       GLU  57  -6.099 -20.524 -11.024
  495   1HB   GLU  57           HB2      GLU  57  -6.601 -20.175 -13.331
  496   2HB   GLU  57           HB1      GLU  57  -6.608 -18.422 -13.141
  497   1HG   GLU  57           HG2      GLU  57  -4.250 -18.327 -12.900
  498   2HG   GLU  57           HG1      GLU  57  -4.129 -20.059 -12.591
  499    H    ALA  58           HN       ALA  58  -6.411 -16.955 -11.198
  500    HA   ALA  58           HA       ALA  58  -3.832 -16.235 -10.431
  501   1HB   ALA  58           HB2      ALA  58  -6.504 -14.981  -9.831
  502   2HB   ALA  58           HB1      ALA  58  -5.006 -14.233  -9.282
  503   3HB   ALA  58           HB3      ALA  58  -5.294 -14.471 -11.006
  504    H    GLN  59           HN       GLN  59  -6.251 -17.762  -8.435
  505    HA   GLN  59           HA       GLN  59  -5.244 -16.931  -5.883
  506   1HB   GLN  59           HB2      GLN  59  -6.768 -19.385  -6.773
  507   2HB   GLN  59           HB1      GLN  59  -6.311 -19.133  -5.094
  508   1HG   GLN  59           HG2      GLN  59  -7.745 -16.931  -6.572
  509   2HG   GLN  59           HG1      GLN  59  -8.667 -18.301  -5.955
  510   1HE2  GLN  59          HE22      GLN  59  -6.999 -15.653  -3.307
  511   2HE2  GLN  59          HE21      GLN  59  -6.492 -15.650  -4.927
  512    H    LYS  60           HN       LYS  60  -4.691 -20.030  -7.625
  513    HA   LYS  60           HA       LYS  60  -2.650 -20.832  -5.790
  514   1HB   LYS  60           HB2      LYS  60  -2.103 -22.582  -7.461
  515   2HB   LYS  60           HB1      LYS  60  -3.811 -22.507  -7.048
  516   1HG   LYS  60           HG2      LYS  60  -4.372 -21.438  -9.099
  517   2HG   LYS  60           HG1      LYS  60  -2.681 -21.074  -9.456
  518   1HD   LYS  60           HD2      LYS  60  -2.164 -23.370  -9.858
  519   2HD   LYS  60           HD1      LYS  60  -3.686 -23.910  -9.154
  520   1HE   LYS  60           HE2      LYS  60  -4.896 -22.722 -11.004
  521   2HE   LYS  60           HE1      LYS  60  -3.330 -22.373 -11.740
  522   1HZ   LYS  60           HZ2      LYS  60  -2.957 -24.886 -11.521
  523   2HZ   LYS  60           HZ1      LYS  60  -4.640 -24.983 -11.345
  524   3HZ   LYS  60           HZ3      LYS  60  -3.976 -24.331 -12.758
  525    H    LEU  61           HN       LEU  61  -2.367 -19.090  -8.936
  526    HA   LEU  61           HA       LEU  61   0.407 -19.273  -9.335
  527   1HB   LEU  61           HB2      LEU  61  -1.497 -16.954  -9.691
  528   2HB   LEU  61           HB1      LEU  61   0.220 -16.689  -9.934
  529    HG   LEU  61           HG       LEU  61  -1.166 -17.199 -12.003
  530   1HD1  LEU  61          HD11      LEU  61   1.411 -18.489 -11.209
  531   2HD1  LEU  61          HD13      LEU  61   0.662 -19.072 -12.694
  532   3HD1  LEU  61          HD12      LEU  61   1.066 -17.368 -12.518
  533   1HD2  LEU  61          HD23      LEU  61  -1.136 -20.008 -10.845
  534   2HD2  LEU  61          HD22      LEU  61  -2.552 -18.999 -11.113
  535   3HD2  LEU  61          HD21      LEU  61  -1.616 -19.579 -12.482
  536    H    GLN  62           HN       GLN  62  -1.242 -16.890  -7.304
  537    HA   GLN  62           HA       GLN  62   1.097 -15.785  -6.124
  538   1HB   GLN  62           HB2      GLN  62  -1.799 -15.625  -5.791
  539   2HB   GLN  62           HB1      GLN  62  -1.015 -15.609  -4.214
  540   1HG   GLN  62           HG2      GLN  62   0.492 -13.773  -5.082
  541   2HG   GLN  62           HG1      GLN  62  -0.516 -13.718  -6.535
  542   1HE2  GLN  62          HE22      GLN  62  -1.866 -12.043  -3.092
  543   2HE2  GLN  62          HE21      GLN  62  -0.354 -12.813  -3.157
  544    H    ALA  63           HN       ALA  63  -1.117 -18.287  -4.882
  545    HA   ALA  63           HA       ALA  63   0.055 -18.813  -2.421
  546   1HB   ALA  63           HB3      ALA  63  -2.020 -19.869  -3.482
  547   2HB   ALA  63           HB2      ALA  63  -0.916 -21.031  -4.221
  548   3HB   ALA  63           HB1      ALA  63  -1.031 -20.918  -2.464
  549    H    MET  64           HN       MET  64   1.056 -20.341  -5.517
  550    HA   MET  64           HA       MET  64   3.035 -22.016  -4.320
  551   1HB   MET  64           HB2      MET  64   2.981 -20.863  -7.118
  552   2HB   MET  64           HB1      MET  64   3.949 -22.241  -6.590
  553   1HG   MET  64           HG2      MET  64   1.750 -23.314  -5.847
  554   2HG   MET  64           HG1      MET  64   0.940 -22.041  -6.763
  555   1HE   MET  64           HE3      MET  64   0.484 -22.051  -9.103
  556   2HE   MET  64           HE2      MET  64   0.579 -23.530 -10.048
  557   3HE   MET  64           HE1      MET  64  -0.261 -23.536  -8.504
  558    H    HIS  65           HN       HIS  65   3.741 -19.161  -6.350
  559    HA   HIS  65           HA       HIS  65   6.443 -18.941  -5.600
  560   1HB   HIS  65           HB2      HIS  65   4.631 -16.608  -6.239
  561   2HB   HIS  65           HB1      HIS  65   6.365 -16.745  -6.554
  562    HD1  HIS  65           HD1      HIS  65   4.003 -16.426  -8.738
  563    HD2  HIS  65           HD2      HIS  65   6.080 -19.909  -7.810
  564    HE1  HIS  65           HE1      HIS  65   3.767 -17.956 -10.747
  565    NH1  ARG  66           NH2      ARG  66   3.312 -11.897  -0.185
  566    NH2  ARG  66           NH1      ARG  66   3.140 -10.740  -2.116
  567    H    ARG  66           HN       ARG  66   3.571 -17.689  -3.966
  568    HA   ARG  66           HA       ARG  66   4.902 -15.978  -2.121
  569   1HB   ARG  66           HB2      ARG  66   2.313 -17.519  -2.070
  570   2HB   ARG  66           HB1      ARG  66   2.844 -16.692  -0.614
  571   1HG   ARG  66           HG2      ARG  66   2.799 -15.208  -3.242
  572   2HG   ARG  66           HG1      ARG  66   1.310 -15.414  -2.312
  573   1HD   ARG  66           HD2      ARG  66   2.087 -14.115  -0.543
  574   2HD   ARG  66           HD1      ARG  66   3.772 -14.466  -0.863
  575    HE   ARG  66           HE       ARG  66   2.777 -12.988  -3.071
  576   1HH1  ARG  66          HH21      ARG  66   3.293 -12.768   0.308
  577   2HH1  ARG  66          HH22      ARG  66   3.484 -11.051   0.302
  578   1HH2  ARG  66          HH11      ARG  66   2.992 -10.722  -3.104
  579   2HH2  ARG  66          HH12      ARG  66   3.301  -9.889  -1.619
  580    H    GLU  67           HN       GLU  67   4.016 -19.389  -1.875
  581    HA   GLU  67           HA       GLU  67   5.016 -19.755   0.769
  582   1HB   GLU  67           HB2      GLU  67   4.568 -21.720  -1.491
  583   2HB   GLU  67           HB1      GLU  67   4.839 -22.177   0.192
  584   1HG   GLU  67           HG2      GLU  67   2.664 -20.172  -0.387
  585   2HG   GLU  67           HG1      GLU  67   2.354 -21.862  -0.785
  586    H    LYS  68           HN       LYS  68   6.690 -19.366  -2.198
  587    HA   LYS  68           HA       LYS  68   9.069 -20.900  -1.326
  588   1HB   LYS  68           HB2      LYS  68   8.456 -19.157  -3.723
  589   2HB   LYS  68           HB1      LYS  68  10.082 -19.754  -3.406
  590   1HG   LYS  68           HG2      LYS  68   9.320 -22.055  -3.534
  591   2HG   LYS  68           HG1      LYS  68   7.642 -21.529  -3.695
  592   1HD   LYS  68           HD2      LYS  68   7.984 -20.662  -5.856
  593   2HD   LYS  68           HD1      LYS  68   9.731 -20.555  -5.647
  594   1HE   LYS  68           HE2      LYS  68   8.572 -22.534  -7.068
  595   2HE   LYS  68           HE1      LYS  68  10.065 -22.779  -6.164
  596   1HZ   LYS  68           HZ1      LYS  68   8.749 -23.571  -4.292
  597   2HZ   LYS  68           HZ3      LYS  68   7.322 -23.356  -5.184
  598   3HZ   LYS  68           HZ2      LYS  68   8.469 -24.506  -5.681
  599    OH   TYR  69           OH       TYR  69  12.589 -17.539  -5.735
  600    H    TYR  69           HN       TYR  69   7.819 -17.665  -1.102
  601    HA   TYR  69           HA       TYR  69  10.448 -16.705   0.005
  602   1HB   TYR  69           HB2      TYR  69   8.468 -15.266  -1.780
  603   2HB   TYR  69           HB1      TYR  69   9.893 -14.536  -1.081
  604    HD1  TYR  69           HD2      TYR  69  12.206 -15.505  -1.654
  605    HD2  TYR  69           HD1      TYR  69   8.604 -16.582  -3.740
  606    HE1  TYR  69           HE2      TYR  69  13.561 -16.422  -3.532
  607    HE2  TYR  69           HE1      TYR  69   9.945 -17.506  -5.609
  608    HH   TYR  69           HH       TYR  69  13.302 -16.924  -5.921
  609    HA   PRO  70           HA       PRO  70   6.589 -16.149   2.811
  610   1HB   PRO  70           HB2      PRO  70   8.274 -17.145   4.973
  611   2HB   PRO  70           HB1      PRO  70   6.763 -17.823   4.350
  612   1HG   PRO  70           HG2      PRO  70   9.468 -18.788   3.900
  613   2HG   PRO  70           HG1      PRO  70   7.950 -19.505   3.340
  614   1HD   PRO  70           HD2      PRO  70   9.905 -18.188   1.723
  615   2HD   PRO  70           HD1      PRO  70   8.288 -18.714   1.216
  616    H    ASN  71           HN       ASN  71   9.826 -15.871   4.339
  617    HA   ASN  71           HA       ASN  71   9.068 -13.247   5.391
  618   1HB   ASN  71           HB2      ASN  71  11.752 -14.609   5.627
  619   2HB   ASN  71           HB1      ASN  71  11.068 -13.377   6.690
  620   1HD2  ASN  71          HD22      ASN  71   9.061 -15.673   8.510
  621   2HD2  ASN  71          HD21      ASN  71   9.390 -14.035   8.205
  622    OH   TYR  72           OH       TYR  72  16.100 -10.160  -2.098
  623    H    TYR  72           HN       TYR  72  10.599 -14.204   2.477
  624    HA   TYR  72           HA       TYR  72  12.455 -11.965   2.348
  625   1HB   TYR  72           HB2      TYR  72  12.449 -14.112   0.891
  626   2HB   TYR  72           HB1      TYR  72  11.232 -13.278  -0.056
  627    HD1  TYR  72           HD2      TYR  72  11.727 -11.123  -1.189
  628    HD2  TYR  72           HD1      TYR  72  14.770 -13.427   0.812
  629    HE1  TYR  72           HE2      TYR  72  13.487  -9.818  -2.367
  630    HE2  TYR  72           HE1      TYR  72  16.531 -12.123  -0.366
  631    HH   TYR  72           HH       TYR  72  16.937 -10.617  -1.978
  632    H    LYS  73           HN       LYS  73  11.857  -9.854   2.146
  633    HA   LYS  73           HA       LYS  73   9.191  -9.252   0.880
  634   1HB   LYS  73           HB2      LYS  73  10.579  -7.703   3.075
  635   2HB   LYS  73           HB1      LYS  73   8.968  -7.408   2.416
  636   1HG   LYS  73           HG2      LYS  73   8.621  -9.986   3.112
  637   2HG   LYS  73           HG1      LYS  73   9.910  -9.586   4.248
  638   1HD   LYS  73           HD2      LYS  73   8.258  -7.424   4.609
  639   2HD   LYS  73           HD1      LYS  73   7.076  -8.661   4.176
  640   1HE   LYS  73           HE2      LYS  73   7.276  -8.824   6.532
  641   2HE   LYS  73           HE1      LYS  73   8.283 -10.129   5.929
  642   1HZ   LYS  73           HZ2      LYS  73   9.933  -7.965   5.954
  643   2HZ   LYS  73           HZ1      LYS  73   9.040  -7.798   7.383
  644   3HZ   LYS  73           HZ3      LYS  73   9.917  -9.216   7.097
  645    OH   TYR  74           OH       TYR  74   6.818  -7.746  -5.732
  646    H    TYR  74           HN       TYR  74   9.056  -6.952   0.111
  647    HA   TYR  74           HA       TYR  74  11.093  -6.447  -1.815
  648   1HB   TYR  74           HB2      TYR  74   8.821  -4.786  -0.702
  649   2HB   TYR  74           HB1      TYR  74   9.954  -4.106  -1.874
  650    HD1  TYR  74           HD2      TYR  74  10.129  -5.036  -4.162
  651    HD2  TYR  74           HD1      TYR  74   7.256  -6.560  -1.336
  652    HE1  TYR  74           HE2      TYR  74   8.973  -6.232  -5.998
  653    HE2  TYR  74           HE1      TYR  74   6.094  -7.763  -3.179
  654    HH   TYR  74           HH       TYR  74   7.483  -8.007  -6.375
  655    NH1  ARG  75           NH2      ARG  75  18.906  -4.104   1.217
  656    NH2  ARG  75           NH1      ARG  75  19.027  -4.219   3.471
  657    H    ARG  75           HN       ARG  75  12.431  -4.393  -1.830
  658    HA   ARG  75           HA       ARG  75  13.341  -3.613   0.908
  659   1HB   ARG  75           HB2      ARG  75  14.577  -5.607  -0.307
  660   2HB   ARG  75           HB1      ARG  75  15.322  -4.332  -1.260
  661   1HG   ARG  75           HG2      ARG  75  16.601  -3.563   0.507
  662   2HG   ARG  75           HG1      ARG  75  15.383  -3.963   1.715
  663   1HD   ARG  75           HD2      ARG  75  15.921  -6.386   1.385
  664   2HD   ARG  75           HD1      ARG  75  17.212  -5.921   0.280
  665    HE   ARG  75           HE       ARG  75  17.203  -5.823   3.206
  666   1HH1  ARG  75          HH21      ARG  75  18.490  -4.402   0.358
  667   2HH1  ARG  75          HH22      ARG  75  19.675  -3.466   1.203
  668   1HH2  ARG  75          HH11      ARG  75  18.702  -4.603   4.336
  669   2HH2  ARG  75          HH12      ARG  75  19.790  -3.576   3.464
  670   1H5*    G   1           H5'      GUA 201   3.425   8.492   1.402
  671   2H5*    G   1          H5''      GUA 201   4.265   9.352   0.100
  672    H4*    G   1           H4'      GUA 201   5.936   8.067   1.126
  673    H3*    G   1           H3'      GUA 201   4.945   7.032  -1.454
  674   1H2*    G   1           H2'      GUA 201   5.356   4.826  -1.146
  675   2H2*    G   1          H2''      GUA 201   6.915   5.187  -0.374
  676    H1*    G   1           H1'      GUA 201   6.004   4.692   1.641
  677    H8     G   1           H8       GUA 201   2.806   5.187  -0.459
  678    H1     G   1           H1       GUA 201   3.108  -0.363   2.623
  679   1H2     G   1           HN'      GUA 201   6.178   0.808   3.829
  680   2H2     G   1          HN''      GUA 201   5.005  -0.491   3.814
  681    H5T    G   1           H5T      GUA 201   2.157   7.778  -0.076
  682   1H5*    C   2           H5'      CYT 202   9.660   6.100  -1.076
  683   2H5*    C   2          H5''      CYT 202  10.129   5.983  -2.783
  684    H4*    C   2           H4'      CYT 202  10.767   4.014  -1.297
  685    H3*    C   2           H3'      CYT 202   9.454   3.913  -3.954
  686   1H2*    C   2           H2'      CYT 202   8.358   1.948  -3.666
  687   2H2*    C   2          H2''      CYT 202   9.849   1.194  -3.035
  688    H1*    C   2           H1'      CYT 202   9.122   1.398  -0.887
  689   1H4     C   2           HN'      CYT 202   2.519   1.378  -2.067
  690   2H4     C   2          HN''      CYT 202   2.879  -0.071  -1.153
  691    H5     C   2           H5       CYT 202   4.213   2.986  -2.735
  692    H6     C   2           H6       CYT 202   6.614   3.513  -2.670
  693   1H5*    A   3           H5'      ADE 203  12.444   0.033  -3.818
  694   2H5*    A   3          H5''      ADE 203  13.198   0.422  -5.375
  695    H4*    A   3           H4'      ADE 203  12.631  -1.930  -5.342
  696    H3*    A   3           H3'      ADE 203  11.313  -0.088  -7.229
  697   1H2*    A   3           H2'      ADE 203   9.338  -1.157  -7.480
  698   2H2*    A   3          H2''      ADE 203  10.174  -2.729  -7.613
  699    H1*    A   3           H1'      ADE 203   9.531  -3.246  -5.510
  700    H8     A   3           H8       ADE 203   8.729   0.526  -5.628
  701   1H6     A   3           HN'      ADE 203   4.074   0.264  -4.256
  702   2H6     A   3          HN''      ADE 203   3.055  -1.090  -3.812
  703    H2     A   3           H2       ADE 203   5.542  -4.821  -4.122
  704   1H5*    C   4           H5'      CYT 204  11.784  -4.345  -8.514
  705   2H5*    C   4          H5''      CYT 204  12.385  -4.440 -10.181
  706    H4*    C   4           H4'      CYT 204  10.673  -6.113  -9.909
  707    H3*    C   4           H3'      CYT 204  10.179  -3.798 -11.687
  708   1H2*    C   4           H2'      CYT 204   7.922  -3.738 -11.528
  709   2H2*    C   4          H2''      CYT 204   7.835  -5.505 -11.755
  710    H1*    C   4           H1'      CYT 204   7.483  -5.818  -9.531
  711   1H4     C   4           HN'      CYT 204   5.188   0.268  -7.869
  712   2H4     C   4          HN''      CYT 204   3.848  -0.851  -7.710
  713    H5     C   4           H5       CYT 204   7.421  -0.417  -8.612
  714    H6     C   4           H6       CYT 204   8.763  -2.327  -9.402
  715   1H5*    A   5           H5'      ADE 205   8.774  -7.908 -13.430
  716   2H5*    A   5          H5''      ADE 205   8.802  -7.850 -15.199
  717    H4*    A   5           H4'      ADE 205   6.672  -8.764 -14.053
  718    H3*    A   5           H3'      ADE 205   5.490  -8.237 -15.929
  719   1H2*    A   5           H2'      ADE 205   6.030  -5.304 -15.826
  720   2H2*    A   5          H2''      ADE 205   4.489  -6.174 -16.060
  721    H1*    A   5           H1'      ADE 205   4.180  -6.477 -13.806
  722    H8     A   5           H8       ADE 205   7.194  -4.050 -13.894
  723   1H6     A   5           HN'      ADE 205   4.943  -0.155 -12.010
  724   2H6     A   5          HN''      ADE 205   3.290   0.105 -11.488
  725    H2     A   5           H2       ADE 205   1.041  -3.736 -12.155
  726   1H5*    A   6           H5'      ADE 206   4.408  -8.476 -18.028
  727   2H5*    A   6          H5''      ADE 206   5.348  -8.243 -19.515
  728    H4*    A   6           H4'      ADE 206   2.840  -8.307 -19.848
  729    H3*    A   6           H3'      ADE 206   4.731  -6.363 -20.922
  730   1H2*    A   6           H2'      ADE 206   3.536  -4.439 -20.795
  731   2H2*    A   6          H2''      ADE 206   2.116  -5.257 -21.502
  732    H1*    A   6           H1'      ADE 206   1.131  -5.232 -19.454
  733    H8     A   6           H8       ADE 206   4.812  -4.341 -18.706
  734   1H6     A   6           HN'      ADE 206   2.589   0.092 -15.059
  735   2H6     A   6          HN''      ADE 206   4.052  -0.633 -15.691
  736    H2     A   6           H2       ADE 206  -0.896  -2.181 -16.743
  737   1H5*    A   7           H5'      ADE 207   0.953  -6.736 -22.897
  738   2H5*    A   7          H5''      ADE 207   0.963  -6.830 -24.669
  739    H4*    A   7           H4'      ADE 207  -0.814  -5.356 -24.050
  740    H3*    A   7           H3'      ADE 207   1.569  -4.214 -25.395
  741   1H2*    A   7           H2'      ADE 207   1.483  -2.148 -24.497
  742   2H2*    A   7          H2''      ADE 207  -0.242  -2.058 -24.869
  743    H1*    A   7           H1'      ADE 207  -0.830  -2.453 -22.722
  744    H8     A   7           H8       ADE 207   2.976  -2.990 -22.575
  745   1H6     A   7           HN'      ADE 207   3.116   1.795 -18.711
  746   2H6     A   7          HN''      ADE 207   4.090   0.586 -19.518
  747    H2     A   7           H2       ADE 207  -1.159   1.129 -19.932
  748   1H5*    C   8           H5'      CYT 208  -2.725  -2.494 -27.934
  749   2H5*    C   8          H5''      CYT 208  -1.906  -1.349 -29.004
  750    H4*    C   8           H4'      CYT 208  -3.840  -0.625 -27.214
  751    H3*    C   8           H3'      CYT 208  -1.544   0.873 -28.408
  752   1H2*    C   8           H2'      CYT 208  -1.577   2.574 -26.884
  753   2H2*    C   8          H2''      CYT 208  -3.341   2.428 -26.639
  754    H1*    C   8           H1'      CYT 208  -2.904   1.297 -24.711
  755   1H4     C   8           HN'      CYT 208   3.008   2.752 -22.697
  756   2H4     C   8          HN''      CYT 208   3.655   1.394 -23.596
  757    H5     C   8           H5       CYT 208   2.307   0.003 -25.094
  758    H6     C   8           H6       CYT 208   0.080  -0.291 -26.041
  759    H3T    C   8           H3T      CYT 208  -3.465   2.184 -28.970
  760   1H5*    G   9           H5'      GUA 209   4.320  12.596 -20.278
  761   2H5*    G   9          H5''      GUA 209   3.821  13.305 -18.728
  762    H4*    G   9           H4'      GUA 209   1.817  12.947 -19.965
  763    H3*    G   9           H3'      GUA 209   0.642  11.859 -18.344
  764   1H2*    G   9           H2'      GUA 209   2.379   9.428 -18.218
  765   2H2*    G   9          H2''      GUA 209   0.607   9.566 -18.378
  766    H1*    G   9           H1'      GUA 209   0.740   9.666 -20.663
  767    H8     G   9           H8       GUA 209   4.513   9.301 -19.895
  768    H1     G   9           H1       GUA 209   1.847   4.193 -22.581
  769   1H2     G   9           HN'      GUA 209  -1.132   5.995 -22.389
  770   2H2     G   9          HN''      GUA 209  -0.341   4.507 -22.854
  771    H5T    G   9           H5T      GUA 209   5.320  11.683 -18.368
  772   1H5*    T  10           H5'      THY 210  -0.184  10.918 -16.384
  773   2H5*    T  10          H5''      THY 210   0.151  10.532 -14.686
  774    H4*    T  10           H4'      THY 210  -1.885   9.401 -15.792
  775    H3*    T  10           H3'      THY 210   0.214   8.151 -14.089
  776   1H2*    T  10           H2'      THY 210  -0.128   6.004 -14.757
  777   2H2*    T  10          H2''      THY 210  -1.895   6.242 -14.813
  778    H1*    T  10           H1'      THY 210  -1.803   6.436 -17.077
  779    H3     T  10           H3       THY 210   0.906   3.132 -18.666
  780   1H5M    T  10           H51      THY 210   4.593   5.580 -16.585
  781   2H5M    T  10           H52      THY 210   4.035   7.240 -16.902
  782   3H5M    T  10           H53      THY 210   4.567   6.207 -18.249
  783    H6     T  10           H6       THY 210   1.745   7.374 -16.535
  784   1H5*    T  11           H5'      THY 211  -3.824   7.027 -13.775
  785   2H5*    T  11          H5''      THY 211  -4.555   6.860 -12.168
  786    H4*    T  11           H4'      THY 211  -5.409   5.103 -13.567
  787    H3*    T  11           H3'      THY 211  -3.552   4.381 -11.356
  788   1H2*    T  11           H2'      THY 211  -3.063   2.285 -12.097
  789   2H2*    T  11          H2''      THY 211  -4.721   2.042 -12.716
  790    H1*    T  11           H1'      THY 211  -3.960   2.459 -14.824
  791    H3     T  11           H3       THY 211   0.112   0.519 -15.483
  792   1H5M    T  11           H51      THY 211   1.986   3.700 -12.408
  793   2H5M    T  11           H52      THY 211   0.810   5.035 -12.496
  794   3H5M    T  11           H53      THY 211   1.936   4.747 -13.846
  795    H6     T  11           H6       THY 211  -1.357   4.455 -13.117
  796   1H5*    T  12           H5'      THY 212  -6.788   1.793 -10.955
  797   2H5*    T  12          H5''      THY 212  -7.374   1.444  -9.317
  798    H4*    T  12           H4'      THY 212  -6.599  -0.591 -10.473
  799    H3*    T  12           H3'      THY 212  -5.461   0.358  -7.914
  800   1H2*    T  12           H2'      THY 212  -3.377  -0.511  -8.174
  801   2H2*    T  12          H2''      THY 212  -4.097  -2.094  -8.584
  802    H1*    T  12           H1'      THY 212  -3.775  -1.763 -10.814
  803    H3     T  12           H3       THY 212   0.620  -0.979 -11.581
  804   1H5M    T  12           H51      THY 212   0.242   2.840  -8.621
  805   2H5M    T  12           H52      THY 212  -1.410   3.372  -9.016
  806   3H5M    T  12           H53      THY 212  -0.102   3.572 -10.206
  807    H6     T  12           H6       THY 212  -2.826   1.568  -9.400
  808   1H5*    G  13           H5'      GUA 213  -6.055  -4.002  -8.342
  809   2H5*    G  13          H5''      GUA 213  -7.067  -4.668  -7.045
  810    H4*    G  13           H4'      GUA 213  -5.442  -6.339  -7.483
  811    H3*    G  13           H3'      GUA 213  -5.339  -4.933  -4.960
  812   1H2*    G  13           H2'      GUA 213  -2.795  -6.171  -4.902
  813   2H2*    G  13          H2''      GUA 213  -3.141  -4.428  -4.830
  814    H1*    G  13           H1'      GUA 213  -2.072  -6.002  -7.042
  815    H8     G  13           H8       GUA 213  -3.237  -2.391  -6.305
  816    H1     G  13           H1       GUA 213   2.902  -2.947  -7.879
  817   1H2     G  13           HN'      GUA 213   3.398  -5.083  -8.302
  818   2H2     G  13          HN''      GUA 213   2.203  -6.356  -8.192
  819   1H5*    T  14           H5'      THY 214  -3.117  -8.871  -4.864
  820   2H5*    T  14          H5''      THY 214  -3.448  -9.743  -3.355
  821    H4*    T  14           H4'      THY 214  -1.079  -9.858  -3.796
  822    H3*    T  14           H3'      THY 214  -2.031  -8.242  -1.481
  823   1H2*    T  14           H2'      THY 214  -0.218  -6.893  -1.343
  824   2H2*    T  14          H2''      THY 214   0.873  -8.294  -1.506
  825    H1*    T  14           H1'      THY 214   1.225  -7.862  -3.712
  826    H3     T  14           H3       THY 214   2.697  -3.602  -4.075
  827   1H5M    T  14           H51      THY 214  -2.575  -3.285  -2.989
  828   2H5M    T  14           H52      THY 214  -1.581  -1.854  -3.329
  829   3H5M    T  14           H53      THY 214  -1.575  -2.581  -1.708
  830    H6     T  14           H6       THY 214  -1.571  -5.479  -2.919
  831   1H5*    G  15           H5'      GUA 215   1.669 -10.163  -0.299
  832   2H5*    G  15          H5''      GUA 215   1.384 -11.165   1.131
  833    H4*    G  15           H4'      GUA 215   3.419 -10.158   1.644
  834    H3*    G  15           H3'      GUA 215   1.171  -8.750   2.927
  835   1H2*    G  15           H2'      GUA 215   2.134  -6.701   3.091
  836   2H2*    G  15          H2''      GUA 215   3.703  -7.424   3.529
  837    H1*    G  15           H1'      GUA 215   4.458  -6.986   1.430
  838    H8     G  15           H8       GUA 215   0.673  -6.672   0.767
  839    H1     G  15           H1       GUA 215   4.058  -1.537  -0.839
  840   1H2     G  15           HN'      GUA 215   6.227  -1.853  -0.364
  841   2H2     G  15          HN''      GUA 215   6.813  -3.341   0.346
  842   1H5*    C  16           H5'      CYT 216   5.036  -8.797   5.783
  843   2H5*    C  16          H5''      CYT 216   4.288  -8.917   7.384
  844    H4*    C  16           H4'      CYT 216   5.988  -7.140   7.327
  845    H3*    C  16           H3'      CYT 216   3.128  -6.524   7.865
  846   1H2*    C  16           H2'      CYT 216   3.282  -4.285   7.477
  847   2H2*    C  16          H2''      CYT 216   4.911  -4.208   8.206
  848    H1*    C  16           H1'      CYT 216   5.832  -4.170   6.125
  849   1H4     C  16           HN'      CYT 216   1.556  -1.440   2.184
  850   2H4     C  16          HN''      CYT 216   0.484  -2.819   2.306
  851    H5     C  16           H5       CYT 216   0.961  -4.756   3.686
  852    H6     C  16           H6       CYT 216   2.582  -5.766   5.234
  853    H3T    C  16           H3T      CYT 216   4.884  -7.328   9.324
   
  No H/Q in entry =         853