*HEADER    DNA-BINDING PROTEIN                     10-OCT-94   1TNS      
*COMPND    MU TRANSPOSASE (DNA-BINDING DOMAIN)                           
*COMPND   2 (NMR, MINIMIZED AVERAGE STRUCTURE)                           
*SOURCE    BACTERIOPHAGE MU                                              
*EXPDTA    NMR                                                           
*AUTHOR    G.M.CLORE,R.T.CLUBB,J.G.OMICHINSKI,A.M.GRONENBORN             
*REVDAT   1   12-OCT-04 1TNS    0   


REMARK  Experimental Restraints for the High resolution solution NMR 
REMARK  structure of the DNA-binding Domain of Mu Transposase
REMARK
REMARK   Authors: G.M. Clore, Robert T Clubb, J.G. Omichinski and 
REMARK            A.M. Gronenborn
REMARK            Laboratory of Chemical Physics, Bldg 5, Rm 132
REMARK            NIDDK, National Institutes of Health
REMARK            Bethesda, MD 20892
REMARK  Tel: (301) 496 0782; FAX (301) 496 0825; 
REMARK  e-mail: clore@vger.niddk.nih.gov
REMARK   References:
REMARK  1. R.T. Clubb, J.G. Omichinski, H. Savilahti, K. Mizuuchi, 
REMARK     A.M. Gronenborn and G.M. Clore (1994) A novel class of
REMARK     winged helix-turn-helix protein: the DNA_binding domain of
REMARK     Mu transposase. Structure 2, No 11 in press
REMARK
REMARK
REMARK   The 3D solution structure of the DNA binding domain of Mu Transposase
REMARK   (MuA76, residues 1-76) was solved by multidimensional
REMARK   heteronuclear-edited NMR experiments and is based on
REMARK   1320 experimental restraints comprising the following:
REMARK   (a) 1192 approximate interproton distance restraints (308
REMARK   sequential, 266 short range 1 , |i-j| <=5, 323 long range
REMARK   |i-j|>5, and 295 intraresidue
REMARK   (b) 18 distance restraints for 9 backbone hydrogen bonds
REMARK   
REMARK
REMARK    The NOE restraints are given in (A), the torsion angle restraints
REMARK    in (B), the coupling constant restraints in (C)
REMARK    and the table of proton chemical shift assignments in (D)
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.  Appropriate corrections to the upper limits for distances
involving methyl, methylene and Tyr and Phe aromatic ring protons, to account
for centre averaging, are carried out as described by Wuthrich et al. 
[J. Mol. Biol. 169, 949-961 (1983)].  In addition, an extra 0.5 A is added
to the upper limits of distances involving methyl protons [Clore et al.
(1983) Biochemistry 26, 8012-8023; Wagner et al. (1987) 
J. Mol. Biol. 196, 611-640].

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.

assign (resid 8 and name HB2)(resid 8 and name HN) 4.0 2.2 1.0
assign (resid 12 and name HA)(resid 12 and name HD2#) 5.0 4.2 2.0
assign (resid 14 and name HA)(resid 14 and name HG#) 3.0 1.8 1.1
assign (resid 18 and name HB2)(resid 18 and name HN) 4.0 2.2 1.0
assign (resid 18 and name HB1)(resid 18 and name HN) 4.0 2.2 1.0
assign (resid 32 and name HE3)(resid 32 and name HN) 5.0 3.2 0.5
assign (resid 34 and name HB2)(resid 34 and name HN) 4.0 2.2 1.0
assign (resid 34 and name HB1)(resid 34 and name HN) 3.0 2.2 0.5
assign (resid 35 and name HA)(resid 35 and name HD#) 4.0 3.2 2.0
assign (resid 49 and name HB2)(resid 49 and name HN) 4.0 2.2 1.0
assign (resid 55 and name HB)(resid 55 and name HN) 4.0 2.2 1.0
assign (resid 58 and name HA)(resid 58 and name HD#) 4.0 3.2 2.0
assign (resid 61 and name HA)(resid 61 and name HG) 4.0 2.2 1.0
assign (resid 63 and name HG)(resid 63 and name HN) 4.0 2.2 1.0
assign (resid 76 and name HB#)(resid 76 and name HN) 4.0 2.8 1.6
assign (resid 1 and name HA)(resid 1 and name HG#) 3.0 1.8 0.9
assign (resid 2 and name HG#)(resid 2 and name HA) 3.0 1.8 0.9
assign (resid 3 and name HD2#)(resid 3 and name HA) 4.0 3.7 2.5
assign (resid 3 and name HD2#)(resid 3 and name HB2) 3.0 2.7 1.8
assign (resid 3 and name HD1#)(resid 3 and name HB2) 3.0 2.7 1.8
assign (resid 3 and name HB1)(resid 3 and name HD1#) 3.0 2.7 1.8
assign (resid 3 and name HA)(resid 3 and name HD1#) 3.0 2.7 1.8
assign (resid 3 and name HB1)(resid 3 and name HD2#) 4.0 3.7 2.5
assign (resid 3 and name HA)(resid 3 and name HG) 4.0 2.2 1.0
assign (resid 4 and name HD1)(resid 4 and name HA) 4.0 2.2 1.0
assign (resid 4 and name HD1)(resid 4 and name HB#) 3.0 2.2 1.3
assign (resid 5 and name HG2#)(resid 5 and name HA) 3.0 2.3 1.4
assign (resid 5 and name HG1#)(resid 5 and name HA) 3.0 2.3 1.4
assign (resid 7 and name HA)(resid 7 and name HG#) 4.0 2.8 1.6
assign (resid 7 and name HB#)(resid 7 and name HD#) 4.0 4.2 3.0
assign (resid 7 and name HA)(resid 7 and name HD#) 4.0 3.2 2.0
assign (resid 8 and name HG#)(resid 8 and name HA) 3.0 1.8 0.9
assign (resid 8 and name HD#)(resid 8 and name HA) 4.0 3.2 2.0
assign (resid 8 and name HB1)(resid 8 and name HD#) 3.0 2.2 1.3
assign (resid 9 and name HA)(resid 9 and name HG#) 3.0 1.8 0.9
assign (resid 10 and name HD1#)(resid 10 and name HB2) 4.0 3.7 2.5
assign (resid 10 and name HD1#)(resid 10 and name HB1) 3.0 2.7 1.8
assign (resid 10 and name HD2#)(resid 10 and name HB1) 3.0 2.7 1.8
assign (resid 10 and name HA)(resid 10 and name HD2#) 3.0 2.7 1.8
assign (resid 10 and name HA)(resid 10 and name HG) 4.0 2.2 1.0
assign (resid 10 and name HA)(resid 10 and name HD1#) 4.0 3.7 2.5
assign (resid 13 and name HD2#)(resid 13 and name HB1) 3.0 2.7 1.8
assign (resid 13 and name HA)(resid 13 and name HG) 4.0 2.2 1.0
assign (resid 14 and name HD#)(resid 14 and name HA) 4.0 3.2 2.0
assign (resid 14 and name HB#)(resid 14 and name HD#) 4.0 4.2 3.0
assign (resid 16 and name HB1)(resid 16 and name HD2#) 4.0 3.7 2.5
assign (resid 16 and name HB2)(resid 16 and name HD2#) 4.0 3.7 2.5
assign (resid 16 and name HA)(resid 16 and name HD1#) 4.0 3.7 2.5
assign (resid 16 and name HB1)(resid 16 and name HD1#) 2.5 2.2 1.7
assign (resid 16 and name HD2#)(resid 16 and name HA) 3.0 2.7 1.8
assign (resid 16 and name HG)(resid 16 and name HA) 4.0 2.2 1.0
assign (resid 17 and name HD#)(resid 17 and name HB#) 4.0 4.2 3.0
assign (resid 17 and name HD#)(resid 17 and name HA) 4.0 3.2 2.0
assign (resid 17 and name HA)(resid 17 and name HG#) 4.0 2.8 1.6
assign (resid 18 and name HG#)(resid 18 and name HA) 3.0 1.8 0.9
assign (resid 18 and name HE#)(resid 18 and name HG#) 4.0 4.2 3.0
assign (resid 18 and name HA)(resid 18 and name HD#) 3.0 2.2 1.3
assign (resid 18 and name HB1)(resid 18 and name HD#) 3.0 2.2 1.3
assign (resid 19 and name HA)(resid 19 and name HG2#) 2.5 1.8 1.3
assign (resid 24 and name HA)(resid 24 and name HD1#) 4.0 3.7 2.5
assign (resid 24 and name HG2#)(resid 24 and name HA) 3.0 2.3 1.4
assign (resid 24 and name HA)(resid 24 and name HG1#) 4.0 2.8 1.6
assign (resid 25 and name HB#)(resid 25 and name HD#) 3.0 4.2 3.3
assign (resid 25 and name HA)(resid 25 and name HD#) 3.0 3.2 2.3
assign (resid 26 and name HA)(resid 26 and name HG2#) 3.0 2.3 1.4
assign (resid 26 and name HG1#)(resid 26 and name HA) 3.0 2.3 1.4
assign (resid 28 and name HA)(resid 28 and name HG#) 4.0 2.8 1.6
assign (resid 28 and name HE#)(resid 28 and name HG#) 4.0 4.2 3.0
assign (resid 28 and name HA)(resid 28 and name HD#) 4.0 3.2 2.0
assign (resid 29 and name HA)(resid 29 and name HG#) 3.0 1.8 0.9
assign (resid 29 and name HE#)(resid 29 and name HG#) 4.0 4.2 3.0
assign (resid 29 and name HA)(resid 29 and name HD#) 4.0 3.2 2.0
assign (resid 30 and name HA)(resid 30 and name HG#) 3.0 1.8 0.9
assign (resid 32 and name HE3)(resid 32 and name HA) 5.0 2.2 1.0
assign (resid 32 and name HA)(resid 32 and name HD1) 4.0 2.2 1.0
assign (resid 32 and name HB1)(resid 32 and name HD1) 4.0 2.2 1.0
assign (resid 33 and name HG#)(resid 33 and name HA) 3.0 1.8 0.9
assign (resid 35 and name HD#)(resid 35 and name HB#) 4.0 4.2 3.0
assign (resid 36 and name HG2#)(resid 36 and name HA) 2.5 1.8 1.3
assign (resid 37 and name HB#)(resid 37 and name HD#) 4.0 4.2 3.0
assign (resid 37 and name HA)(resid 37 and name HG#) 3.0 1.8 0.9
assign (resid 40 and name HG*)(resid 40 and name HA) 2.5 1.3 0.8
assign (resid 41 and name HE#)(resid 41 and name HA) 4.0 3.2 2.0
assign (resid 41 and name HG#)(resid 41 and name HA) 4.0 2.8 1.6
assign (resid 41 and name HG#)(resid 41 and name HE#) 3.0 3.2 2.3
assign (resid 41 and name HA)(resid 41 and name HD#) 4.0 3.2 2.0
assign (resid 44 and name HE#)(resid 44 and name HB#) 4.0 4.2 3.0
assign (resid 44 and name HA)(resid 44 and name HG#) 4.0 2.8 1.6
assign (resid 44 and name HA)(resid 44 and name HD#) 4.0 3.2 2.0
assign (resid 46 and name HB)(resid 46 and name HD1#) 3.0 2.7 1.8
assign (resid 46 and name HA)(resid 46 and name HD1#) 4.0 3.7 2.5
assign (resid 46 and name HG2#)(resid 46 and name HA) 3.0 2.3 1.4
assign (resid 46 and name HA)(resid 46 and name HG1#) 4.0 2.8 1.6
assign (resid 47 and name HA)(resid 47 and name HG#) 4.0 2.8 1.6
assign (resid 48 and name HD#)(resid 48 and name HB1) 3.0 3.2 2.3
assign (resid 48 and name HD#)(resid 48 and name HB2) 4.0 4.2 3.0
assign (resid 48 and name HA)(resid 48 and name HD#) 3.0 3.2 2.3
assign (resid 53 and name HD2#)(resid 53 and name HB1) 4.0 3.7 2.5
assign (resid 53 and name HB2)(resid 53 and name HD2#) 2.5 2.2 1.7
assign (resid 53 and name HB2)(resid 53 and name HD1#) 2.5 2.2 1.7
assign (resid 53 and name HB1)(resid 53 and name HD1#) 2.5 2.2 1.7
assign (resid 53 and name HD2#)(resid 53 and name HA) 3.0 2.7 1.8
assign (resid 53 and name HD1#)(resid 53 and name HA) 4.0 3.7 2.5
assign (resid 53 and name HG)(resid 53 and name HA) 3.0 1.2 0.3
assign (resid 54 and name HA)(resid 54 and name HG#) 4.0 2.8 1.6
assign (resid 54 and name HA)(resid 54 and name HD#) 4.0 3.2 2.0
assign (resid 54 and name HD#)(resid 54 and name HB#) 4.0 4.2 3.0
assign (resid 55 and name HA)(resid 55 and name HG2#) 3.0 2.3 1.4
assign (resid 55 and name HG1#)(resid 55 and name HA) 2.5 1.8 1.3
assign (resid 56 and name HA)(resid 56 and name HG#) 3.0 1.8 0.9
assign (resid 58 and name HG#)(resid 58 and name HA) 4.0 2.8 1.6
assign (resid 58 and name HA)(resid 58 and name HE#) 3.0 2.2 1.3
assign (resid 58 and name HE#)(resid 58 and name HG#) 3.0 3.2 2.3
assign (resid 61 and name HB#)(resid 61 and name HD*) 3.0 3.9 3.0
assign (resid 61 and name HA)(resid 61 and name HD*) 3.0 2.9 2.0
assign (resid 62 and name HD*)(resid 62 and name HB#) 4.0 4.9 3.7
assign (resid 62 and name HA)(resid 62 and name HD*) 4.0 3.9 2.7
assign (resid 62 and name HA)(resid 62 and name HG) 4.0 2.2 1.0
assign (resid 63 and name HA)(resid 63 and name HD*) 3.0 2.9 2.0
assign (resid 63 and name HB#)(resid 63 and name HD*) 3.0 3.9 3.0
assign (resid 64 and name HG#)(resid 64 and name HA) 3.0 1.8 0.9
assign (resid 64 and name HA)(resid 64 and name HD#) 4.0 3.2 2.0
assign (resid 64 and name HB#)(resid 64 and name HD#) 4.0 4.2 3.0
assign (resid 65 and name HG#)(resid 65 and name HA) 3.0 1.8 0.9
assign (resid 67 and name HG#)(resid 67 and name HA) 3.0 1.8 0.9
assign (resid 68 and name HB)(resid 68 and name HD1#) 3.0 2.7 1.8
assign (resid 68 and name HA)(resid 68 and name HD1#) 4.0 3.7 2.5
assign (resid 68 and name HG2#)(resid 68 and name HA) 3.0 2.3 1.4
assign (resid 68 and name HA)(resid 68 and name HG1#) 4.0 2.8 1.6
assign (resid 69 and name HA)(resid 69 and name HG#) 3.0 1.8 0.9
assign (resid 70 and name HA)(resid 70 and name HG2#) 3.0 2.3 1.4
assign (resid 72 and name HA)(resid 72 and name HD*) 2.5 2.4 1.9
assign (resid 72 and name HB#)(resid 72 and name HD*) 3.0 3.9 3.0
assign (resid 72 and name HA)(resid 72 and name HG) 4.0 2.2 1.0
assign (resid 74 and name HE#)(resid 74 and name HB#) 4.0 5.2 4.0
assign (resid 74 and name HB#)(resid 74 and name HD#) 2.5 3.7 3.2
assign (resid 74 and name HA)(resid 74 and name HD#) 3.0 3.2 2.3
assign (resid 75 and name HB#)(resid 75 and name HD#) 4.0 5.2 4.0
assign (resid 75 and name HA)(resid 75 and name HD#) 4.0 4.2 3.0
assign (resid 76 and name HG#)(resid 76 and name HA) 4.0 2.8 1.6
assign (resid 2 and name HB#)(resid 2 and name HN) 4.0 2.8 1.6
assign (resid 2 and name HG#)(resid 2 and name HN) 4.0 3.2 2.0
assign (resid 3 and name HG)(resid 3 and name HN) 4.0 2.2 1.0
assign (resid 5 and name HB)(resid 5 and name HN) 3.0 1.2 0.5
assign (resid 10 and name HD2#)(resid 10 and name HN) 3.0 2.7 2.0
assign (resid 11 and name HB#)(resid 11 and name HN) 2.5 1.8 1.5
assign (resid 12 and name HB#)(resid 12 and name HD2#) 4.0 4.2 3.0
assign (resid 21 and name HB#)(resid 21 and name HN) 2.5 1.8 1.5
assign (resid 25 and name HD#)(resid 25 and name HN) 4.0 4.2 3.0
assign (resid 28 and name HE#)(resid 28 and name HN) 4.0 3.2 2.0
assign (resid 30 and name HB2)(resid 30 and name HE2#) 4.0 3.2 2.0
assign (resid 30 and name HB1)(resid 30 and name HE2#) 2.5 1.7 1.4
assign (resid 30 and name HA)(resid 30 and name HE2#) 4.0 3.2 2.0
assign (resid 30 and name HE2#)(resid 30 and name HN) 4.0 3.2 2.0
assign (resid 33 and name HB#)(resid 33 and name HE2#) 4.0 4.2 3.0
assign (resid 33 and name HG#)(resid 33 and name HE2#) 4.0 4.2 3.0
assign (resid 33 and name HG#)(resid 33 and name HN) 4.0 3.2 2.0
assign (resid 34 and name HB2)(resid 34 and name HD2#) 4.0 3.2 2.0
assign (resid 34 and name HB1)(resid 34 and name HD2#) 4.0 3.2 2.0
assign (resid 34 and name HD2#)(resid 34 and name HN) 3.0 2.2 1.5
assign (resid 35 and name HD#)(resid 35 and name HN) 4.0 3.2 2.0
assign (resid 35 and name HB#)(resid 35 and name HN) 4.0 2.8 1.6
assign (resid 37 and name HB#)(resid 37 and name HE) 3.0 3.2 2.5
assign (resid 37 and name HG#)(resid 37 and name HE) 4.0 4.2 3.0
assign (resid 38 and name HB#)(resid 38 and name HN) 2.5 1.8 1.5
assign (resid 47 and name HB2)(resid 47 and name HN) 3.0 1.2 0.5
assign (resid 48 and name HD#)(resid 48 and name HN) 4.0 4.2 3.0
assign (resid 48 and name HB2)(resid 48 and name HN) 4.0 2.2 1.0
assign (resid 48 and name HB1)(resid 48 and name HN) 4.0 2.2 1.0
assign (resid 49 and name HB2)(resid 49 and name HD2#) 3.0 2.2 1.5
assign (resid 50 and name HB#)(resid 50 and name HN) 2.5 1.8 1.5
assign (resid 51 and name HA)(resid 51 and name HD2#) 4.0 3.2 2.0
assign (resid 51 and name HB#)(resid 51 and name HD2#) 3.0 3.2 2.5
assign (resid 51 and name HD2#)(resid 51 and name HN) 4.0 3.2 2.0
assign (resid 53 and name HD1#)(resid 53 and name HN) 4.0 3.7 2.5
assign (resid 59 and name HB#)(resid 59 and name HN) 2.5 1.8 1.5
assign (resid 60 and name HB#)(resid 60 and name HN) 3.0 2.3 1.6
assign (resid 61 and name HB#)(resid 61 and name HN) 3.0 1.8 1.1
assign (resid 61 and name HD*)(resid 61 and name HN) 4.0 3.9 2.7
assign (resid 64 and name HA)(resid 64 and name HE) 3.0 2.2 1.5
assign (resid 67 and name HG#)(resid 67 and name HN) 3.0 2.2 1.5
assign (resid 68 and name HG1#)(resid 68 and name HN) 4.0 3.2 2.0
assign (resid 68 and name HB)(resid 68 and name HN) 3.0 1.2 0.5
assign (resid 69 and name HG#)(resid 69 and name HN) 3.0 2.2 1.5
assign (resid 69 and name HB#)(resid 69 and name HN) 3.0 1.8 1.1
assign (resid 70 and name HG2#)(resid 70 and name HN) 3.0 2.7 2.0
assign (resid 74 and name HB#)(resid 74 and name HN) 2.5 1.3 1.0
assign (resid 75 and name HB#)(resid 75 and name HN) 4.0 2.8 1.6
assign (resid 75 and name HD#)(resid 75 and name HN) 2.5 2.7 2.4
assign (resid 10 and name HD2#)(resid 10 and name HB2) 4.0 3.7 2.5
assign (resid 13 and name HB2)(resid 13 and name HD2#) 4.0 3.7 2.5
assign (resid 13 and name HB2)(resid 13 and name HD1#) 4.0 3.7 2.5
assign (resid 16 and name HB2)(resid 16 and name HD1#) 4.0 3.7 2.5
assign (resid 18 and name HB2)(resid 18 and name HD#) 4.0 3.2 2.0
assign (resid 24 and name HD1#)(resid 24 and name HB) 3.0 2.7 1.8
assign (resid 41 and name HB#)(resid 41 and name HE#) 4.0 4.2 3.0
assign (resid 41 and name HB#)(resid 41 and name HD#) 3.0 3.2 2.3
assign (resid 44 and name HD#)(resid 44 and name HB#) 3.0 3.2 2.3
assign (resid 3 and name HB1)(resid 3 and name HN) 4.0 2.2 1.0
assign (resid 3 and name HB2)(resid 3 and name HN) 4.0 2.2 1.0
assign (resid 4 and name HB#)(resid 4 and name HN) 4.0 2.8 1.6
assign (resid 5 and name HG1#)(resid 5 and name HN) 3.0 2.7 2.0
assign (resid 5 and name HG2#)(resid 5 and name HN) 4.0 3.7 2.5
assign (resid 8 and name HG#)(resid 8 and name HN) 4.0 3.2 2.0
assign (resid 8 and name HB1)(resid 8 and name HN) 3.0 1.2 0.5
assign (resid 9 and name HG#)(resid 9 and name HN) 3.0 2.2 1.5
assign (resid 9 and name HB2)(resid 9 and name HN) 4.0 2.2 1.0
assign (resid 9 and name HB1)(resid 9 and name HN) 4.0 2.2 1.0
assign (resid 10 and name HB2)(resid 10 and name HN) 4.0 2.2 1.0
assign (resid 10 and name HD1#)(resid 10 and name HN) 4.0 3.7 2.5
assign (resid 10 and name HG)(resid 10 and name HN) 4.0 2.2 1.0
assign (resid 12 and name HB#)(resid 12 and name HN) 4.0 2.8 1.6
assign (resid 13 and name HB1)(resid 13 and name HN) 4.0 2.2 1.0
assign (resid 13 and name HB2)(resid 13 and name HN) 4.0 2.2 1.0
assign (resid 13 and name HD1#)(resid 13 and name HN) 4.0 3.7 2.5
assign (resid 13 and name HD2#)(resid 13 and name HN) 4.0 3.7 2.5
assign (resid 13 and name HG)(resid 13 and name HN) 4.0 2.2 1.0
assign (resid 16 and name HB2)(resid 16 and name HN) 3.0 1.2 0.5
assign (resid 16 and name HB1)(resid 16 and name HN) 4.0 2.2 1.0
assign (resid 16 and name HD2#)(resid 16 and name HN) 4.0 3.7 2.5
assign (resid 16 and name HG)(resid 16 and name HN) 4.0 2.2 1.0
assign (resid 18 and name HG#)(resid 18 and name HN) 3.0 2.2 1.5
assign (resid 19 and name HG2#)(resid 19 and name HN) 3.0 2.7 2.0
assign (resid 20 and name HB#)(resid 20 and name HN) 3.0 1.8 1.1
assign (resid 23 and name HB)(resid 23 and name HN) 3.0 1.2 0.5
assign (resid 24 and name HB)(resid 24 and name HN) 3.0 1.2 0.5
assign (resid 24 and name HD1#)(resid 24 and name HN) 3.0 2.7 2.0
assign (resid 24 and name HG1#)(resid 24 and name HN) 4.0 3.2 2.0
assign (resid 24 and name HG2#)(resid 24 and name HN) 4.0 3.7 2.5
assign (resid 25 and name HB#)(resid 25 and name HN) 3.0 1.8 1.1
assign (resid 26 and name HG1#)(resid 26 and name HN) 3.0 2.7 2.0
assign (resid 26 and name HG2#)(resid 26 and name HN) 3.0 2.7 2.0
assign (resid 26 and name HB)(resid 26 and name HN) 3.0 1.2 0.5
assign (resid 27 and name HB#)(resid 27 and name HN) 3.0 2.3 1.6
assign (resid 28 and name HG#)(resid 28 and name HN) 4.0 3.2 2.0
assign (resid 28 and name HB#)(resid 28 and name HN) 3.0 1.8 1.1
assign (resid 29 and name HB#)(resid 29 and name HN) 3.0 1.8 1.1
assign (resid 29 and name HG#)(resid 29 and name HN) 3.0 2.2 1.5
assign (resid 30 and name HG#)(resid 30 and name HE2#) 4.0 4.2 3.0
assign (resid 30 and name HB1)(resid 30 and name HN) 4.0 2.2 1.0
assign (resid 30 and name HB2)(resid 30 and name HN) 4.0 2.2 1.0
assign (resid 30 and name HG#)(resid 30 and name HN) 4.0 3.2 2.0
assign (resid 32 and name HD1)(resid 32 and name HN) 3.0 1.2 0.5
assign (resid 32 and name HB1)(resid 32 and name HN) 4.0 2.2 1.0
assign (resid 32 and name HB2)(resid 32 and name HN) 4.0 2.2 1.0
assign (resid 33 and name HB#)(resid 33 and name HN) 3.0 1.8 1.1
assign (resid 36 and name HG2#)(resid 36 and name HN) 4.0 3.7 2.5
assign (resid 36 and name HB)(resid 36 and name HN) 3.0 1.2 0.5
assign (resid 37 and name HG#)(resid 37 and name HN) 4.0 3.2 2.0
assign (resid 37 and name HB#)(resid 37 and name HN) 4.0 2.8 1.6
assign (resid 40 and name HB)(resid 40 and name HN) 3.0 1.2 0.5
assign (resid 40 and name HG*)(resid 40 and name HN) 3.0 2.9 2.2
assign (resid 41 and name HB#)(resid 41 and name HN) 3.0 1.8 1.1
assign (resid 41 and name HG#)(resid 41 and name HN) 3.0 2.2 1.5
assign (resid 44 and name HB#)(resid 44 and name HN) 3.0 1.8 1.1
assign (resid 44 and name HG#)(resid 44 and name HN) 4.0 3.2 2.0
assign (resid 45 and name HB#)(resid 45 and name HN) 3.0 2.3 1.6
assign (resid 46 and name HB)(resid 46 and name HN) 3.0 1.2 0.5
assign (resid 46 and name HG2#)(resid 46 and name HN) 3.0 2.7 2.0
assign (resid 46 and name HG1#)(resid 46 and name HN) 4.0 3.2 2.0
assign (resid 46 and name HD1#)(resid 46 and name HN) 4.0 3.7 2.5
assign (resid 49 and name HB1)(resid 49 and name HN) 4.0 2.2 1.0
assign (resid 51 and name HB#)(resid 51 and name HN) 3.0 1.8 1.1
assign (resid 52 and name HB1)(resid 52 and name HN) 4.0 2.2 1.0
assign (resid 52 and name HB2)(resid 52 and name HN) 4.0 2.2 1.0
assign (resid 53 and name HB2)(resid 53 and name HN) 4.0 2.2 1.0
assign (resid 53 and name HB1)(resid 53 and name HN) 4.0 2.2 1.0
assign (resid 53 and name HG)(resid 53 and name HN) 4.0 2.2 1.0
assign (resid 55 and name HG1#)(resid 55 and name HN) 3.0 2.7 2.0
assign (resid 55 and name HG2#)(resid 55 and name HN) 3.0 2.7 2.0
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assign (resid 58 and name HG#)(resid 58 and name HN) 4.0 3.2 2.0
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assign (resid 62 and name HB#)(resid 62 and name HN) 3.0 1.8 1.1
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assign (resid 62 and name HD*)(resid 62 and name HN) 4.0 3.9 2.7
assign (resid 63 and name HD*)(resid 63 and name HN) 4.0 3.9 2.7
assign (resid 64 and name HB#)(resid 64 and name HN) 3.0 1.8 1.1
assign (resid 64 and name HG#)(resid 64 and name HE) 3.0 3.2 2.5
assign (resid 64 and name HB#)(resid 64 and name HE) 4.0 4.2 3.0
assign (resid 65 and name HB2)(resid 65 and name HN) 3.0 1.2 0.5
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assign (resid 65 and name HG#)(resid 65 and name HN) 3.0 2.2 1.5
assign (resid 67 and name HB#)(resid 67 and name HN) 3.0 1.8 1.1
assign (resid 68 and name HD#)(resid 68 and name HN) 4.0 3.7 2.5
assign (resid 68 and name HG2#)(resid 68 and name HN) 3.0 2.7 2.0
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assign (resid 71 and name HB#)(resid 71 and name HN) 3.0 1.8 1.1
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assign (resid 72 and name HG)(resid 72 and name HN) 3.0 1.2 0.5
assign (resid 72 and name HD*)(resid 72 and name HN) 4.0 3.9 2.7
assign (resid 74 and name HD#)(resid 74 and name HN) 4.0 4.2 3.0


assign (resid 4 and name HD1)(resid 5 and name HN) 5.0 3.2 1.0
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assign (resid 10 and name HB1)(resid 11 and name HN) 4.0 2.2 1.0
assign (resid 10 and name HG)(resid 11 and name HN) 4.0 2.2 1.0
assign (resid 10 and name HD2#)(resid 11 and name HN) 4.0 3.7 2.5
assign (resid 10 and name HD1#)(resid 11 and name HN) 4.0 3.7 2.5
assign (resid 11 and name HN)(resid 12 and name HN) 3.0 1.2 0.5
assign (resid 12 and name HN)(resid 13 and name HN) 3.0 1.2 0.5
assign (resid 12 and name HB#)(resid 13 and name HN) 5.0 2.2 2.0
assign (resid 13 and name HA)(resid 14 and name HG#) 4.0 2.2 2.0
assign (resid 15 and name HN)(resid 16 and name HN) 2.5 0.7 0.4
assign (resid 16 and name HN)(resid 17 and name HD#) 4.0 2.2 2.0
assign (resid 16 and name HG)(resid 17 and name HD#) 5.0 4.2 2.0
assign (resid 18 and name HN)(resid 19 and name HN) 3.0 1.2 0.5
assign (resid 19 and name HN)(resid 20 and name HN) 4.0 2.2 1.0
assign (resid 20 and name HA)(resid 21 and name HN) 3.0 1.2 0.5
assign (resid 20 and name HN)(resid 21 and name HN) 2.5 0.7 0.4
assign (resid 20 and name HN)(resid 21 and name HB#) 4.0 3.7 2.5
assign (resid 21 and name HN)(resid 22 and name HN) 2.5 0.7 0.4
assign (resid 23 and name HB)(resid 24 and name HG2#) 5.0 4.7 2.5
assign (resid 24 and name HN)(resid 25 and name HN) 4.0 3.2 1.0
assign (resid 24 and name HN)(resid 25 and name HD#) 4.0 5.2 3.0
assign (resid 25 and name HB#)(resid 26 and name HN) 4.0 3.2 2.0
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assign (resid 25 and name HE#)(resid 26 and name HG1#) 5.0 6.7 4.5
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assign (resid 27 and name HN)(resid 28 and name HN) 2.5 0.7 0.4
assign (resid 29 and name HN)(resid 30 and name HN) 3.0 1.2 0.5
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assign (resid 35 and name HN)(resid 36 and name HA) 5.0 3.2 1.0
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assign (resid 37 and name HA)(resid 38 and name HN) 3.0 1.2 0.5
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assign (resid 40 and name HA)(resid 41 and name HN) 3.0 1.2 0.5
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assign (resid 40 and name HG*)(resid 41 and name HB#) 5.0 6.6 4.4
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assign (resid 44 and name HN)(resid 45 and name HN) 3.0 1.2 0.5
assign (resid 44 and name HG#)(resid 45 and name HN) 4.0 3.2 2.0
assign (resid 45 and name HN)(resid 46 and name HN) 4.0 2.2 1.0
assign (resid 45 and name HA)(resid 46 and name HD1#) 5.0 4.7 2.5
assign (resid 46 and name HN)(resid 47 and name HN) 4.0 2.2 1.0
assign (resid 46 and name HB)(resid 47 and name HN) 4.0 2.2 1.0
assign (resid 47 and name HN)(resid 48 and name HN) 4.0 2.2 1.0
assign (resid 47 and name HA)(resid 48 and name HB1) 5.0 3.2 1.0
assign (resid 47 and name HA)(resid 48 and name HD1) 4.0 4.2 1.0
assign (resid 47 and name HA)(resid 48 and name HE1) 5.0 5.2 2.0
assign (resid 48 and name HN)(resid 49 and name HN) 5.0 3.2 1.0
assign (resid 48 and name HB2)(resid 49 and name HN) 5.0 3.2 1.0
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assign (resid 49 and name HB1)(resid 50 and name HN) 5.0 3.2 1.0
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assign (resid 50 and name HN)(resid 51 and name HD2#) 5.0 3.2 2.0
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assign (resid 52 and name HN)(resid 53 and name HN) 2.5 0.7 0.4
assign (resid 54 and name HA)(resid 55 and name HG1#) 5.0 4.7 2.5
assign (resid 54 and name HB#)(resid 55 and name HG2#) 5.0 5.7 3.5
assign (resid 55 and name HN)(resid 56 and name HN) 4.0 2.2 1.0
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assign (resid 59 and name HA)(resid 60 and name HA) 5.0 3.2 1.0
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assign (resid 62 and name HN)(resid 63 and name HN) 4.0 2.2 1.0
assign (resid 63 and name HG)(resid 64 and name HN) 4.0 2.2 1.0
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assign (resid 74 and name HA)(resid 75 and name HN) 3.0 1.2 0.5
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assign (resid 75 and name HA)(resid 76 and name HN) 3.0 1.2 0.5
assign (resid 75 and name HN)(resid 76 and name HN) 2.5 0.7 0.4
assign (resid 4 and name HA)(resid 5 and name HG1#) 4.0 3.7 2.5
assign (resid 5 and name HB)(resid 6 and name HA) 4.0 2.2 1.0
assign (resid 6 and name HA)(resid 7 and name HG#) 4.0 3.2 2.0
assign (resid 6 and name HA)(resid 7 and name HD#) 3.0 2.2 1.3
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assign (resid 6 and name HB1)(resid 7 and name HD#) 3.0 2.2 1.3
assign (resid 8 and name HG#)(resid 9 and name HG#) 4.0 4.2 3.0
assign (resid 11 and name HB#)(resid 12 and name HB#) 4.0 4.7 3.5
assign (resid 13 and name HB1)(resid 14 and name HD#) 4.0 3.2 2.0
assign (resid 13 and name HB1)(resid 14 and name HG#) 4.0 3.2 2.0
assign (resid 13 and name HA)(resid 14 and name HD#) 3.0 2.2 1.3
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assign (resid 13 and name HD2#)(resid 14 and name HD#) 3.0 3.7 2.8
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assign (resid 15 and name HA#)(resid 16 and name HD1#) 4.0 4.7 3.5
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assign (resid 16 and name HD2#)(resid 17 and name HD#) 3.0 3.7 2.8
assign (resid 16 and name HD1#)(resid 17 and name HD#) 4.0 4.7 3.5
assign (resid 16 and name HA)(resid 17 and name HG#) 4.0 3.2 2.0
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assign (resid 16 and name HA)(resid 17 and name HD#) 3.0 2.2 1.3
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assign (resid 18 and name HB2)(resid 19 and name HG2#) 3.0 2.7 1.8
assign (resid 18 and name HB1)(resid 19 and name HG2#) 3.0 2.7 1.8
assign (resid 19 and name HA)(resid 20 and name HB#) 4.0 3.2 2.0
assign (resid 21 and name HB#)(resid 22 and name HA#) 4.0 4.7 3.5
assign (resid 23 and name HG1#)(resid 24 and name HA) 4.0 3.7 2.5
assign (resid 25 and name HE#)(resid 26 and name HG2#) 4.0 5.7 4.5
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assign (resid 25 and name HD#)(resid 26 and name HA) 4.0 4.2 3.0
assign (resid 26 and name HG1#)(resid 27 and name HB#) 4.0 5.2 4.0
assign (resid 26 and name HG1#)(resid 27 and name HA) 4.0 3.7 2.5
assign (resid 27 and name HB#)(resid 28 and name HA) 4.0 3.7 2.5
assign (resid 29 and name HA)(resid 30 and name HA) 4.0 2.2 1.0
assign (resid 29 and name HB#)(resid 30 and name HG#) 4.0 4.2 3.0
assign (resid 33 and name HB#)(resid 34 and name HA) 4.0 3.2 2.0
assign (resid 36 and name HG2#)(resid 37 and name HA) 4.0 3.7 2.5
assign (resid 37 and name HD#)(resid 38 and name HA) 4.0 3.2 2.0
assign (resid 47 and name HA)(resid 48 and name HA) 4.0 2.2 1.0
assign (resid 49 and name HA)(resid 50 and name HB#) 4.0 3.7 2.5
assign (resid 50 and name HB#)(resid 51 and name HA) 4.0 3.7 2.5
assign (resid 52 and name HB1)(resid 53 and name HA) 4.0 2.2 1.0
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assign (resid 53 and name HD1#)(resid 54 and name HD#) 4.0 4.7 3.5
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assign (resid 53 and name HG)(resid 54 and name HD#) 4.0 3.2 2.0
assign (resid 53 and name HB1)(resid 54 and name HD#) 4.0 3.2 2.0
assign (resid 53 and name HA)(resid 54 and name HD#) 3.0 2.2 1.3
assign (resid 54 and name HA)(resid 55 and name HG2#) 4.0 3.7 2.5
assign (resid 55 and name HG1#)(resid 56 and name HG#) 4.0 4.7 3.5
assign (resid 55 and name HG1#)(resid 56 and name HA) 3.0 2.7 1.8
assign (resid 57 and name HB#)(resid 58 and name HA) 4.0 3.7 2.5
assign (resid 60 and name HB#)(resid 61 and name HA) 4.0 3.7 2.5
assign (resid 75 and name HA)(resid 76 and name HB#) 5.0 3.2 2.0
assign (resid 1 and name HB#)(resid 2 and name HN) 3.0 2.2 1.5
assign (resid 2 and name HB#)(resid 3 and name HN) 4.0 3.2 2.0
assign (resid 4 and name HN)(resid 5 and name HN) 4.0 2.2 1.0
assign (resid 4 and name HB#)(resid 5 and name HN) 4.0 3.2 2.0
assign (resid 7 and name HG#)(resid 8 and name HN) 4.0 3.2 2.0
assign (resid 7 and name HA)(resid 8 and name HN) 4.0 2.2 1.0
assign (resid 8 and name HA)(resid 9 and name HN) 4.0 2.2 1.0
assign (resid 8 and name HG#)(resid 9 and name HN) 4.0 3.2 2.0
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assign (resid 9 and name HN)(resid 10 and name HD1#) 4.0 3.7 2.5
assign (resid 10 and name HB2)(resid 11 and name HN) 3.0 1.2 0.5
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assign (resid 13 and name HN)(resid 14 and name HD#) 4.0 3.2 2.0
assign (resid 14 and name HG#)(resid 15 and name HN) 3.0 2.2 1.5
assign (resid 18 and name HG#)(resid 19 and name HN) 3.0 2.2 1.5
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assign (resid 21 and name HA)(resid 22 and name HN) 3.0 1.2 0.5
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assign (resid 25 and name HA)(resid 26 and name HN) 3.0 1.2 0.5
assign (resid 26 and name HN)(resid 27 and name HB#) 4.0 3.7 2.5
assign (resid 28 and name HB#)(resid 29 and name HN) 2.5 1.7 1.4
assign (resid 28 and name HA)(resid 29 and name HN) 3.0 1.2 0.5
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assign (resid 30 and name HG#)(resid 31 and name HN) 4.0 3.2 2.0
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assign (resid 50 and name HA)(resid 51 and name HN) 4.0 2.2 1.0
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assign (resid 53 and name HN)(resid 54 and name HD#) 4.0 3.2 2.0
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assign (resid 58 and name HB#)(resid 59 and name HA) 4.0 3.2 2.0
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assign (resid 1 and name HA)(resid 2 and name HN) 4.0 2.2 1.0
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assign (resid 2 and name HG#)(resid 3 and name HN) 4.0 3.2 2.0
assign (resid 3 and name HA)(resid 4 and name HN) 4.0 2.2 1.0
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assign (resid 5 and name HB)(resid 6 and name HN) 4.0 2.2 1.0
assign (resid 5 and name HA)(resid 6 and name HN) 3.0 1.2 0.5
assign (resid 5 and name HG2#)(resid 6 and name HN) 4.0 3.7 2.5
assign (resid 7 and name HB#)(resid 8 and name HN) 4.0 3.2 2.0
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assign (resid 9 and name HA)(resid 10 and name HN) 4.0 2.2 1.0
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assign (resid 11 and name HB#)(resid 12 and name HN) 3.0 2.7 2.0
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assign (resid 63 and name HD*)(resid 64 and name HN) 4.0 4.6 3.4
assign (resid 64 and name HG#)(resid 65 and name HN) 4.0 3.2 2.0
assign (resid 64 and name HB#)(resid 65 and name HN) 4.0 3.2 2.0
assign (resid 65 and name HA)(resid 66 and name HN) 3.0 1.2 0.5
assign (resid 65 and name HB2)(resid 66 and name HN) 4.0 2.2 1.0
assign (resid 66 and name HA#)(resid 67 and name HN) 3.0 2.2 1.5
assign (resid 67 and name HA)(resid 68 and name HN) 3.0 1.2 0.5
assign (resid 67 and name HB#)(resid 68 and name HN) 3.0 2.2 1.5
assign (resid 68 and name HB)(resid 69 and name HN) 3.0 1.2 0.5
assign (resid 68 and name HA)(resid 69 and name HN) 3.0 1.2 0.5
assign (resid 68 and name HG2#)(resid 69 and name HN) 3.0 2.7 2.0
assign (resid 69 and name HG#)(resid 70 and name HN) 4.0 3.2 2.0
assign (resid 69 and name HA)(resid 70 and name HN) 3.0 1.2 0.5
assign (resid 70 and name HB)(resid 71 and name HN) 3.0 1.2 0.5
assign (resid 70 and name HA)(resid 71 and name HN) 3.0 1.2 0.5
assign (resid 71 and name HA)(resid 72 and name HN) 3.0 1.2 0.5
assign (resid 71 and name HB#)(resid 72 and name HN) 3.0 2.2 1.5
assign (resid 72 and name HA)(resid 73 and name HN) 3.0 1.2 0.5
assign (resid 72 and name HB#)(resid 73 and name HN) 4.0 3.2 2.0
assign (resid 73 and name HA#)(resid 74 and name HN) 2.5 1.7 1.4
assign (resid 74 and name HB#)(resid 75 and name HN) 3.0 2.2 1.5

assign (resid 3 and name HD2#)(resid 5 and name HB) 5.0 4.7 2.5
assign (resid 4 and name HE1)(resid 2 and name HB#) 5.0 4.2 2.0
assign (resid 5 and name HG1#)(resid 9 and name HA) 5.0 4.7 2.5
assign (resid 6 and name HA)(resid 9 and name HN) 5.0 3.2 1.0
assign (resid 6 and name HB1)(resid 9 and name HA) 5.0 3.2 1.0
assign (resid 6 and name HB1)(resid 10 and name HG) 5.0 3.2 1.0
assign (resid 7 and name HG#)(resid 10 and name HD*) 5.0 5.6 4.4
assign (resid 8 and name HA)(resid 10 and name HN) 5.0 3.2 1.0
assign (resid 8 and name HN)(resid 10 and name HN) 4.0 2.2 1.0
assign (resid 9 and name HN)(resid 11 and name HN) 4.0 2.2 1.0
assign (resid 9 and name HA)(resid 11 and name HN) 4.0 2.2 1.0
assign (resid 11 and name HN)(resid 13 and name HN) 4.0 2.2 1.0
assign (resid 12 and name HA)(resid 14 and name HA) 5.0 3.2 1.0
assign (resid 13 and name HA)(resid 15 and name HN) 4.0 1.2 1.0
assign (resid 13 and name HA)(resid 16 and name HN) 4.0 1.2 1.0
assign (resid 13 and name HN)(resid 16 and name HN) 4.0 1.2 1.0
assign (resid 13 and name HB1)(resid 16 and name HD2#) 5.0 4.7 2.5
assign (resid 18 and name HN)(resid 22 and name HN) 5.0 3.2 1.0
assign (resid 19 and name HA)(resid 21 and name HN) 5.0 3.2 1.0
assign (resid 19 and name HB)(resid 22 and name HN) 5.0 3.2 1.0
assign (resid 19 and name HG2#)(resid 22 and name HN) 5.0 4.7 2.5
assign (resid 19 and name HN)(resid 22 and name HN) 4.0 2.2 1.0
assign (resid 20 and name HN)(resid 22 and name HN) 5.0 2.2 1.0
assign (resid 21 and name HA)(resid 24 and name HG2#) 4.0 3.7 2.5
assign (resid 21 and name HA)(resid 24 and name HD1#) 3.0 2.7 2.0
assign (resid 22 and name HA#)(resid 25 and name HB#) 5.0 5.2 3.0
assign (resid 22 and name HA#)(resid 25 and name HD#) 5.0 6.2 4.0
assign (resid 22 and name HA#)(resid 24 and name HG2#) 5.0 5.7 3.5
assign (resid 23 and name HN)(resid 25 and name HB#) 5.0 4.2 2.0
assign (resid 24 and name HA)(resid 27 and name HN) 4.0 2.2 1.0
assign (resid 25 and name HN)(resid 27 and name HN) 4.0 2.2 1.0
assign (resid 26 and name HG1#)(resid 29 and name HN) 5.0 4.7 2.5
assign (resid 27 and name HN)(resid 29 and name HN) 5.0 3.2 1.0
assign (resid 27 and name HB#)(resid 32 and name HN) 3.0 2.7 2.0
assign (resid 29 and name HN)(resid 31 and name HN) 4.0 2.2 1.0
assign (resid 30 and name HN)(resid 32 and name HN) 4.0 2.2 1.0
assign (resid 30 and name HA)(resid 32 and name HD1) 5.0 3.2 1.0
assign (resid 30 and name HB2)(resid 32 and name HD1) 5.0 3.2 1.0
assign (resid 30 and name HB2)(resid 32 and name HE1) 3.0 1.2 0.5
assign (resid 30 and name HB1)(resid 32 and name HE1) 3.0 1.2 0.5
assign (resid 30 and name HG#)(resid 32 and name HD1) 5.0 4.2 2.0
assign (resid 32 and name HA)(resid 34 and name HN) 5.0 3.2 1.0
assign (resid 32 and name HB2)(resid 34 and name HN) 5.0 3.2 1.0
assign (resid 32 and name HB1)(resid 34 and name HN) 5.0 3.2 1.0
assign (resid 35 and name HD#)(resid 37 and name HN) 5.0 4.2 2.0
assign (resid 36 and name HB)(resid 38 and name HN) 5.0 3.2 1.0
assign (resid 36 and name HG2#)(resid 38 and name HN) 5.0 4.7 2.5
assign (resid 37 and name HG#)(resid 40 and name HG*) 5.0 6.6 4.4
assign (resid 37 and name HE)(resid 40 and name HG*) 5.0 6.6 4.4
assign (resid 37 and name HD#)(resid 40 and name HG*) 5.0 6.6 4.4
assign (resid 38 and name HA)(resid 40 and name HN) 4.0 2.2 1.0
assign (resid 38 and name HA)(resid 40 and name HG*) 5.0 5.6 3.4
assign (resid 40 and name HA)(resid 42 and name HN) 5.0 2.2 1.0
assign (resid 40 and name HN)(resid 42 and name HN) 4.0 2.2 1.0
assign (resid 40 and name HG*)(resid 44 and name HN) 5.0 5.6 3.4
assign (resid 42 and name HA#)(resid 44 and name HN) 5.0 4.2 2.0
assign (resid 43 and name HA#)(resid 45 and name HN) 4.0 3.2 2.0
assign (resid 43 and name HN)(resid 45 and name HN) 5.0 3.2 1.0
assign (resid 49 and name HB1)(resid 51 and name HN) 5.0 3.2 1.0
assign (resid 49 and name HB2)(resid 51 and name HN) 5.0 3.2 1.0
assign (resid 50 and name HN)(resid 52 and name HN) 5.0 2.2 1.0
assign (resid 51 and name HN)(resid 53 and name HN) 4.0 2.2 1.0
assign (resid 53 and name HB1)(resid 57 and name HN) 4.0 2.2 1.0
assign (resid 53 and name HA)(resid 57 and name HN) 5.0 3.2 1.0
assign (resid 54 and name HG#)(resid 57 and name HN) 5.0 4.2 2.0
assign (resid 54 and name HA)(resid 56 and name HN) 4.0 2.2 1.0
assign (resid 54 and name HA)(resid 57 and name HN) 5.0 3.2 1.0
assign (resid 55 and name HA)(resid 57 and name HN) 4.0 2.2 1.0
assign (resid 55 and name HA)(resid 59 and name HN) 5.0 3.2 1.0
assign (resid 58 and name HN)(resid 60 and name HN) 4.0 2.2 1.0
assign (resid 74 and name HN)(resid 76 and name HN) 3.0 1.2 0.5
assign (resid 74 and name HA)(resid 76 and name HN) 4.0 2.8 1.0
assign (resid 2 and name HB#)(resid 4 and name HD1) 4.0 3.2 2.0
assign (resid 3 and name HD2#)(resid 5 and name HG2#) 4.0 5.2 4.0
assign (resid 5 and name HG2#)(resid 9 and name HG#) 4.0 4.7 3.5
assign (resid 5 and name HG1#)(resid 9 and name HG#) 4.0 4.7 3.5
assign (resid 5 and name HG1#)(resid 9 and name HB2) 4.0 3.7 2.5
assign (resid 5 and name HG2#)(resid 9 and name HB2) 4.0 3.7 2.5
assign (resid 5 and name HG2#)(resid 9 and name HB1) 4.0 3.7 2.5
assign (resid 5 and name HB)(resid 10 and name HD2#) 3.0 2.7 1.8
assign (resid 5 and name HG2#)(resid 10 and name HA) 5.0 3.7 2.5
assign (resid 5 and name HG1#)(resid 10 and name HG) 4.0 3.7 2.5
assign (resid 6 and name HB2)(resid 9 and name HB2) 4.0 2.2 1.0
assign (resid 6 and name HB1)(resid 9 and name HB2) 4.0 2.2 1.0
assign (resid 7 and name HA)(resid 10 and name HB1) 4.0 2.2 1.0
assign (resid 7 and name HA)(resid 10 and name HB2) 3.0 1.2 0.3
assign (resid 7 and name HA)(resid 10 and name HD2#) 4.0 3.7 2.5
assign (resid 7 and name HA)(resid 10 and name HG) 4.0 2.2 1.0
assign (resid 7 and name HA)(resid 10 and name HD1#) 3.0 2.7 1.8
assign (resid 8 and name HA)(resid 11 and name HB#) 3.0 2.7 1.8
assign (resid 8 and name HG#)(resid 11 and name HB#) 4.0 4.7 3.5
assign (resid 10 and name HA)(resid 13 and name HD2#) 3.0 2.7 1.8
assign (resid 10 and name HA)(resid 13 and name HD1#) 3.0 2.7 1.8
assign (resid 13 and name HB1)(resid 16 and name HB2) 4.0 2.2 1.0
assign (resid 13 and name HB2)(resid 16 and name HB2) 4.0 2.2 1.0
assign (resid 13 and name HB1)(resid 16 and name HG) 4.0 2.2 1.0
assign (resid 13 and name HB1)(resid 16 and name HD1#) 4.0 3.7 2.5
assign (resid 13 and name HB2)(resid 16 and name HD2#) 4.0 3.7 2.5
assign (resid 17 and name HB#)(resid 22 and name HA#) 4.0 4.2 3.0
assign (resid 17 and name HD#)(resid 22 and name HA#) 4.0 4.2 3.0
assign (resid 17 and name HG#)(resid 22 and name HA#) 4.0 4.2 3.0
assign (resid 19 and name HB)(resid 21 and name HB#) 4.0 3.7 2.5
assign (resid 20 and name HB#)(resid 23 and name HG2#) 4.0 4.7 3.5
assign (resid 20 and name HB#)(resid 23 and name HB) 4.0 3.2 2.0
assign (resid 20 and name HA)(resid 23 and name HB) 3.0 1.2 0.3
assign (resid 20 and name HB#)(resid 24 and name HD1#) 4.0 4.7 3.5
assign (resid 21 and name HA)(resid 24 and name HB) 3.0 1.2 0.3
assign (resid 21 and name HA)(resid 24 and name HG1#) 4.0 3.2 2.0
assign (resid 22 and name HA#)(resid 26 and name HG2#) 4.0 4.7 3.5
assign (resid 23 and name HA)(resid 26 and name HG1#) 3.0 2.7 1.8
assign (resid 23 and name HA)(resid 26 and name HB) 3.0 1.2 0.3
assign (resid 23 and name HG1#)(resid 27 and name HB#) 3.0 4.2 3.3
assign (resid 24 and name HG2#)(resid 27 and name HB#) 4.0 5.2 4.0
assign (resid 24 and name HA)(resid 27 and name HB#) 3.0 2.7 1.8
assign (resid 24 and name HG2#)(resid 28 and name HE#) 4.0 4.7 3.5
assign (resid 24 and name HG2#)(resid 28 and name HD#) 3.0 3.7 2.8
assign (resid 25 and name HA)(resid 28 and name HD#) 4.0 3.2 2.0
assign (resid 25 and name HE#)(resid 29 and name HG#) 4.0 5.2 4.0
assign (resid 25 and name HE#)(resid 29 and name HD#) 4.0 5.2 4.0
assign (resid 26 and name HA)(resid 29 and name HA) 4.0 2.2 1.0
assign (resid 26 and name HA)(resid 29 and name HG#) 4.0 3.2 2.0
assign (resid 26 and name HG1#)(resid 29 and name HD#) 4.0 4.7 3.5
assign (resid 26 and name HA)(resid 29 and name HD#) 4.0 3.2 2.0
assign (resid 26 and name HG2#)(resid 29 and name HD#) 4.0 4.7 3.5
assign (resid 26 and name HA)(resid 29 and name HB#) 4.0 3.2 2.0
assign (resid 26 and name HG1#)(resid 29 and name HB#) 4.0 4.7 3.5
assign (resid 26 and name HG1#)(resid 30 and name HG#) 3.0 3.7 2.8
assign (resid 27 and name HB#)(resid 32 and name HZ3) 4.0 3.7 2.5
assign (resid 27 and name HB#)(resid 32 and name HE3) 3.0 2.7 1.8
assign (resid 27 and name HB#)(resid 32 and name HB1) 5.0 3.7 2.5
assign (resid 27 and name HB#)(resid 32 and name HB2) 4.0 3.7 2.5
assign (resid 30 and name HB1)(resid 32 and name HD1) 4.0 2.2 1.0
assign (resid 40 and name HG*)(resid 45 and name HB#) 3.0 5.1 4.2
assign (resid 40 and name HG*)(resid 45 and name HA) 4.0 4.6 3.4
assign (resid 40 and name HB)(resid 45 and name HB#) 4.0 3.7 2.5
assign (resid 46 and name HD1#)(resid 48 and name HE#) 3.0 4.7 3.8
assign (resid 46 and name HD1#)(resid 48 and name HD#) 4.0 5.7 4.5
assign (resid 46 and name HG1#)(resid 48 and name HE#) 4.0 5.2 4.0
assign (resid 46 and name HG2#)(resid 48 and name HE1) 3.0 4.7 2.8
assign (resid 46 and name HG2#)(resid 48 and name HD#) 4.0 5.7 4.5
assign (resid 50 and name HA)(resid 53 and name HD1#) 3.0 2.7 1.8
assign (resid 50 and name HA)(resid 53 and name HB2) 4.0 2.2 1.0
assign (resid 50 and name HB#)(resid 53 and name HD2#) 4.0 5.2 4.0
assign (resid 50 and name HA)(resid 53 and name HB1) 4.0 2.2 1.0
assign (resid 50 and name HA)(resid 53 and name HD2#) 3.0 2.7 1.8
assign (resid 50 and name HB#)(resid 53 and name HD1#) 2.5 3.7 3.2
assign (resid 50 and name HA)(resid 53 and name HG) 4.0 2.2 1.0
assign (resid 53 and name HD2#)(resid 57 and name HB#) 3.0 4.2 3.3
assign (resid 53 and name HD1#)(resid 57 and name HB#) 3.0 4.2 3.3
assign (resid 53 and name HA)(resid 57 and name HB#) 4.0 3.7 2.5
assign (resid 53 and name HD1#)(resid 58 and name HA) 3.0 2.7 1.8
assign (resid 53 and name HB1)(resid 58 and name HA) 4.0 2.2 1.0
assign (resid 53 and name HB2)(resid 58 and name HA) 4.0 2.2 1.0
assign (resid 53 and name HB1)(resid 58 and name HE#) 4.0 3.2 2.0
assign (resid 54 and name HD#)(resid 57 and name HB#) 3.0 3.7 2.8
assign (resid 54 and name HB#)(resid 57 and name HB#) 4.0 4.7 3.5
assign (resid 54 and name HA)(resid 57 and name HB#) 4.0 3.7 2.5
assign (resid 54 and name HG#)(resid 57 and name HB#) 4.0 4.7 3.5
assign (resid 55 and name HA)(resid 58 and name HG#) 4.0 3.2 2.0
assign (resid 55 and name HA)(resid 58 and name HD#) 4.0 3.2 2.0
assign (resid 55 and name HA)(resid 58 and name HB#) 4.0 3.2 2.0
assign (resid 55 and name HA)(resid 58 and name HE#) 4.0 3.2 2.0
assign (resid 55 and name HA)(resid 59 and name HB#) 4.0 3.7 2.5
assign (resid 56 and name HG#)(resid 59 and name HB#) 4.0 4.7 3.5
assign (resid 56 and name HA)(resid 59 and name HB#) 3.0 2.7 1.8
assign (resid 56 and name HB#)(resid 59 and name HB#) 4.0 4.7 3.5
assign (resid 57 and name HB#)(resid 61 and name HD*) 4.0 6.1 4.9
assign (resid 58 and name HA)(resid 61 and name HB#) 4.0 3.2 2.0
assign (resid 58 and name HA)(resid 61 and name HD*) 4.0 4.6 3.4
assign (resid 58 and name HG#)(resid 61 and name HD*) 4.0 5.6 4.4
assign (resid 58 and name HE#)(resid 62 and name HD*) 4.0 5.6 4.4
assign (resid 58 and name HG#)(resid 62 and name HD*) 4.0 5.6 4.4
assign (resid 59 and name HA)(resid 62 and name HD*) 4.0 4.6 3.4
assign (resid 59 and name HA)(resid 62 and name HG) 3.0 1.2 0.3
assign (resid 59 and name HA)(resid 62 and name HB#) 4.0 3.2 2.0
assign (resid 59 and name HA)(resid 63 and name HD*) 4.0 4.6 3.4
assign (resid 60 and name HA)(resid 63 and name HB#) 3.0 2.2 1.3
assign (resid 61 and name HA)(resid 64 and name HD#) 4.0 3.2 2.0
assign (resid 61 and name HA)(resid 64 and name HG#) 4.0 3.2 2.0
assign (resid 61 and name HA)(resid 64 and name HB#) 4.0 3.2 2.0
assign (resid 61 and name HD*)(resid 65 and name HG#) 4.0 5.6 4.4
assign (resid 61 and name HD*)(resid 65 and name HB1) 4.0 4.6 3.4
assign (resid 62 and name HA)(resid 65 and name HG#) 4.0 3.2 2.0
assign (resid 62 and name HA)(resid 65 and name HB1) 4.0 2.2 1.0
assign (resid 62 and name HA)(resid 65 and name HB2) 4.0 2.2 1.0
assign (resid 62 and name HD*)(resid 65 and name HB1) 4.0 4.6 3.4
assign (resid 62 and name HD*)(resid 65 and name HB2) 4.0 4.6 3.4
assign (resid 6 and name HA)(resid 8 and name HN) 4.0 2.2 1.0
assign (resid 7 and name HA)(resid 10 and name HN) 4.0 2.2 1.0
assign (resid 8 and name HN)(resid 11 and name HN) 4.0 2.2 1.0
assign (resid 8 and name HA)(resid 11 and name HN) 3.0 1.2 0.5
assign (resid 9 and name HB2)(resid 11 and name HN) 4.0 2.2 1.0
assign (resid 10 and name HB1)(resid 12 and name HN) 4.0 2.2 1.0
assign (resid 13 and name HN)(resid 16 and name HB2) 3.0 1.2 0.5
assign (resid 13 and name HN)(resid 18 and name HA) 4.0 2.2 1.0
assign (resid 17 and name HB#)(resid 22 and name HN) 4.0 3.2 2.0
assign (resid 17 and name HG#)(resid 22 and name HN) 4.0 3.2 2.0
assign (resid 19 and name HN)(resid 21 and name HN) 4.0 2.2 1.0
assign (resid 19 and name HN)(resid 21 and name HB#) 4.0 3.7 2.5
assign (resid 21 and name HA)(resid 23 and name HN) 4.0 2.2 1.0
assign (resid 22 and name HA#)(resid 25 and name HN) 3.0 2.2 1.5
assign (resid 23 and name HA)(resid 25 and name HN) 4.0 2.2 1.0
assign (resid 25 and name HB#)(resid 27 and name HN) 4.0 3.2 2.0
assign (resid 25 and name HA)(resid 27 and name HN) 4.0 2.2 1.0
assign (resid 25 and name HA)(resid 28 and name HN) 4.0 2.2 1.0
assign (resid 26 and name HA)(resid 28 and name HN) 4.0 2.2 1.0
assign (resid 26 and name HG1#)(resid 28 and name HN) 4.0 3.7 2.5
assign (resid 26 and name HG2#)(resid 28 and name HN) 4.0 3.7 2.5
assign (resid 26 and name HG1#)(resid 30 and name HE2#) 4.0 4.7 3.5
assign (resid 26 and name HG2#)(resid 30 and name HE2#) 4.0 4.7 3.5
assign (resid 28 and name HN)(resid 30 and name HN) 4.0 2.2 1.0
assign (resid 37 and name HB#)(resid 39 and name HN) 4.0 3.2 2.0
assign (resid 37 and name HB#)(resid 40 and name HN) 4.0 3.2 2.0
assign (resid 39 and name HN)(resid 44 and name HA) 4.0 2.2 1.0
assign (resid 40 and name HG*)(resid 42 and name HN) 3.0 3.6 2.9
assign (resid 40 and name HG*)(resid 45 and name HN) 3.0 3.6 2.9
assign (resid 49 and name HA)(resid 51 and name HN) 4.0 2.2 1.0
assign (resid 49 and name HB2)(resid 52 and name HN) 4.0 2.2 1.0
assign (resid 50 and name HB#)(resid 52 and name HN) 4.0 3.7 2.5
assign (resid 50 and name HA)(resid 53 and name HN) 3.0 1.2 0.5
assign (resid 54 and name HB#)(resid 56 and name HN) 4.0 3.2 2.0
assign (resid 54 and name HB#)(resid 57 and name HN) 4.0 3.2 2.0
assign (resid 55 and name HG1#)(resid 59 and name HN) 4.0 3.7 2.5
assign (resid 56 and name HA)(resid 59 and name HN) 4.0 1.2 0.5
assign (resid 58 and name HA)(resid 61 and name HN) 4.0 2.2 1.0
assign (resid 59 and name HN)(resid 61 and name HN) 4.0 2.2 1.0
assign (resid 68 and name HG2#)(resid 70 and name HN) 4.0 3.7 2.5
assign (resid 72 and name HA)(resid 74 and name HN) 3.0 1.2 0.5
assign (resid 72 and name HD*)(resid 74 and name HN) 3.0 3.6 2.9
assign (resid 72 and name HB#)(resid 74 and name HN) 4.0 3.2 2.0
assign (resid 73 and name HA#)(resid 75 and name HN) 4.0 3.2 2.0
assign (resid 1 and name HE#)(resid 3 and name HD2#) 4.0 5.2 4.0
assign (resid 1 and name HE#)(resid 3 and name HD1#) 4.0 5.2 4.0
assign (resid 3 and name HG)(resid 5 and name HG1#) 4.0 3.7 2.5
assign (resid 3 and name HD1#)(resid 5 and name HG1#) 4.0 5.2 4.0
assign (resid 3 and name HD2#)(resid 5 and name HG1#) 4.0 5.2 4.0
assign (resid 5 and name HG2#)(resid 10 and name HD2#) 3.0 4.2 3.3
assign (resid 5 and name HG1#)(resid 10 and name HD2#) 3.0 4.2 3.3
assign (resid 5 and name HG1#)(resid 10 and name HD1#) 3.0 4.2 3.3
assign (resid 10 and name HD2#)(resid 13 and name HD1#) 3.0 4.2 3.3
assign (resid 13 and name HD2#)(resid 16 and name HD1#) 4.0 5.2 4.0
assign (resid 13 and name HB2)(resid 16 and name HD1#) 4.0 3.7 2.5
assign (resid 20 and name HA)(resid 23 and name HG2#) 3.0 2.7 1.8
assign (resid 25 and name HA)(resid 28 and name HB#) 4.0 3.2 2.0
assign (resid 37 and name HB#)(resid 40 and name HG*) 4.0 5.6 4.4
assign (resid 54 and name HB#)(resid 56 and name HG#) 3.0 3.2 2.3
assign (resid 55 and name HG1#)(resid 59 and name HB#) 4.0 5.2 4.0
assign (resid 58 and name HB#)(resid 61 and name HB#) 3.0 3.2 2.3
assign (resid 59 and name HB#)(resid 63 and name HD*) 4.0 6.1 4.9
assign (resid 60 and name HA)(resid 63 and name HD*) 4.0 4.6 3.4
assign (resid 65 and name HA)(resid 68 and name HD1#) 4.0 3.7 2.5
assign (resid 68 and name HD1#)(resid 72 and name HD*) 4.0 6.1 4.9
assign (resid 6 and name HB1)(resid 8 and name HN) 4.0 2.2 1.0
assign (resid 11 and name HA)(resid 13 and name HN) 4.0 2.2 1.0
assign (resid 14 and name HA)(resid 16 and name HN) 4.0 2.2 1.0
assign (resid 17 and name HB#)(resid 19 and name HN) 4.0 3.2 2.0
assign (resid 17 and name HA)(resid 19 and name HN) 4.0 2.2 1.0
assign (resid 19 and name HB)(resid 21 and name HN) 4.0 2.2 1.0
assign (resid 19 and name HG2#)(resid 21 and name HN) 4.0 3.7 2.5
assign (resid 26 and name HA)(resid 29 and name HN) 4.0 2.2 1.0
assign (resid 27 and name HA)(resid 32 and name HN) 4.0 2.2 1.0
assign (resid 28 and name HA)(resid 31 and name HN) 4.0 2.2 1.0
assign (resid 55 and name HB)(resid 57 and name HN) 4.0 2.2 1.0
assign (resid 59 and name HB#)(resid 61 and name HN) 4.0 3.7 2.5
assign (resid 61 and name HA)(resid 64 and name HN) 4.0 2.2 1.0
assign (resid 62 and name HA)(resid 65 and name HN) 4.0 2.2 1.0

assign (resid 4 and name HA)(resid 48 and name HD#) 5.0 5.2 3.0
assign (resid 4 and name HE3)(resid 33 and name HG#) 4.0 3.2 2.0
assign (resid 4 and name HE3)(resid 34 and name HA) 3.0 2.2 0.5
assign (resid 4 and name HE3)(resid 49 and name HB2) 5.0 3.2 1.0
assign (resid 4 and name HE3)(resid 35 and name HD#) 5.0 4.2 2.0
assign (resid 4 and name HE3)(resid 48 and name HA) 4.0 2.2 1.0
assign (resid 4 and name HE3)(resid 49 and name HA) 5.0 3.2 1.0
assign (resid 4 and name HZ3)(resid 34 and name HA) 5.0 2.2 1.0
assign (resid 4 and name HZ3)(resid 47 and name HB2) 5.0 3.2 1.0
assign (resid 4 and name HZ3)(resid 47 and name HB1) 5.0 3.2 1.0
assign (resid 4 and name HZ3)(resid 47 and name HG#) 5.0 4.2 2.0
assign (resid 4 and name HZ3)(resid 48 and name HA) 5.0 3.2 1.0
assign (resid 4 and name HH2)(resid 49 and name HB2) 4.0 2.2 1.0
assign (resid 4 and name HZ2)(resid 35 and name HD#) 4.0 3.2 2.0
assign (resid 5 and name HB)(resid 47 and name HA) 5.0 3.2 1.0
assign (resid 5 and name HB)(resid 48 and name HB1) 5.0 3.2 1.0
assign (resid 5 and name HB)(resid 50 and name HN) 5.0 3.2 1.0
assign (resid 5 and name HN)(resid 47 and name HB2) 5.0 3.2 1.0
assign (resid 5 and name HN)(resid 48 and name HN) 3.0 1.2 0.5
assign (resid 5 and name HN)(resid 50 and name HN) 5.0 3.2 1.0
assign (resid 6 and name HA)(resid 46 and name HG2#) 5.0 4.7 2.5
assign (resid 7 and name HA)(resid 48 and name HD1) 5.0 5.2 1.0
assign (resid 7 and name HB#)(resid 24 and name HG1#) 5.0 4.2 3.0
assign (resid 7 and name HG#)(resid 48 and name HN) 5.0 3.2 2.0
assign (resid 7 and name HD#)(resid 47 and name HB2) 5.0 4.2 2.0
assign (resid 7 and name HD#)(resid 48 and name HD1) 5.0 6.2 2.0
assign (resid 8 and name HN)(resid 23 and name HG1#) 5.0 4.7 2.5
assign (resid 10 and name HD2#)(resid 32 and name HZ3) 4.0 3.7 2.5
assign (resid 11 and name HN)(resid 23 and name HG1#) 4.0 3.7 2.5
assign (resid 11 and name HN)(resid 23 and name HG2#) 4.0 3.7 2.5
assign (resid 11 and name HA)(resid 19 and name HN) 5.0 3.2 1.0
assign (resid 12 and name HA)(resid 18 and name HN) 5.0 3.2 1.0
assign (resid 12 and name HD2#)(resid 18 and name HA) 5.0 2.2 3.0
assign (resid 13 and name HA)(resid 57 and name HA) 5.0 3.2 1.0
assign (resid 13 and name HB1)(resid 57 and name HN) 5.0 3.2 1.0
assign (resid 13 and name HG)(resid 60 and name HB#) 4.0 3.7 2.5
assign (resid 13 and name HD2#)(resid 61 and name HN) 5.0 4.7 3.5
assign (resid 14 and name HB#)(resid 60 and name HB#) 5.0 5.7 3.5
assign (resid 14 and name HD#)(resid 57 and name HB#) 5.0 5.7 3.5
assign (resid 16 and name HA)(resid 32 and name HH2) 5.0 3.2 1.0
assign (resid 16 and name HA)(resid 26 and name HG1#) 5.0 4.7 2.5
assign (resid 16 and name HB1)(resid 23 and name HN) 5.0 3.2 1.0
assign (resid 16 and name HD1#)(resid 32 and name HZ3) 5.0 4.7 2.5
assign (resid 17 and name HA)(resid 23 and name HG2#) 5.0 4.7 2.5
assign (resid 17 and name HB#)(resid 23 and name HN) 5.0 4.2 2.0
assign (resid 17 and name HG#)(resid 26 and name HG1#) 5.0 5.7 3.5
assign (resid 32 and name HA)(resid 53 and name HA) 5.0 3.2 1.0
assign (resid 32 and name HB2)(resid 52 and name HB2) 5.0 3.2 1.0
assign (resid 32 and name HB2)(resid 52 and name HB1) 5.0 3.2 1.0
assign (resid 32 and name HB1)(resid 48 and name HD2) 4.0 4.2 1.0
assign (resid 32 and name HE3)(resid 48 and name HB2) 4.0 2.2 1.0
assign (resid 32 and name HE3)(resid 48 and name HB1) 3.0 1.2 0.5
assign (resid 32 and name HE3)(resid 53 and name HD2#) 4.0 3.7 2.5
assign (resid 32 and name HH2)(resid 53 and name HD1#) 5.0 4.7 2.5
assign (resid 33 and name HN)(resid 49 and name HN) 5.0 3.2 1.0
assign (resid 33 and name HA)(resid 48 and name HA) 5.0 3.2 1.0
assign (resid 33 and name HA)(resid 49 and name HB1) 5.0 3.2 1.0
assign (resid 33 and name HG#)(resid 49 and name HN) 5.0 4.2 2.0
assign (resid 33 and name HE2#)(resid 49 and name HN) 5.0 4.2 2.0
assign (resid 34 and name HA)(resid 46 and name HG2#) 5.0 4.7 2.5
assign (resid 34 and name HA)(resid 49 and name HN) 5.0 3.2 1.0
assign (resid 34 and name HA)(resid 48 and name HB2) 5.0 3.2 1.0
assign (resid 34 and name HA)(resid 48 and name HB1) 5.0 3.2 1.0
assign (resid 34 and name HB1)(resid 46 and name HA) 5.0 3.2 1.0
assign (resid 34 and name HB1)(resid 46 and name HB) 5.0 3.2 1.0
assign (resid 34 and name HB1)(resid 48 and name HN) 5.0 3.2 1.0
assign (resid 35 and name HN)(resid 49 and name HB2) 4.0 2.2 1.0
assign (resid 35 and name HN)(resid 49 and name HB1) 5.0 3.2 1.0
assign (resid 35 and name HN)(resid 47 and name HN) 5.0 3.2 1.0
assign (resid 35 and name HA)(resid 47 and name HB1) 5.0 3.2 1.0
assign (resid 36 and name HA)(resid 46 and name HD1#) 5.0 4.7 2.5
assign (resid 36 and name HG2#)(resid 46 and name HG2#) 5.0 6.2 4.0
assign (resid 36 and name HG2#)(resid 44 and name HN) 5.0 4.7 2.5
assign (resid 37 and name HN)(resid 45 and name HN) 5.0 3.2 1.0
assign (resid 37 and name HA)(resid 44 and name HA) 5.0 3.2 1.0
assign (resid 38 and name HN)(resid 44 and name HN) 5.0 3.2 1.0
assign (resid 38 and name HN)(resid 45 and name HN) 4.0 2.2 1.0
assign (resid 38 and name HA)(resid 44 and name HN) 4.0 2.2 1.0
assign (resid 38 and name HA)(resid 44 and name HB#) 5.0 4.2 2.0
assign (resid 38 and name HA)(resid 45 and name HN) 3.0 1.2 0.5
assign (resid 38 and name HA)(resid 45 and name HB#) 5.0 4.7 2.5
assign (resid 50 and name HA)(resid 58 and name HD#) 5.0 4.2 2.0
assign (resid 3 and name HD2#)(resid 50 and name HB#) 3.0 4.2 3.3
assign (resid 3 and name HD2#)(resid 50 and name HA) 4.0 3.7 2.5
assign (resid 3 and name HD1#)(resid 65 and name HB2) 4.0 3.7 2.5
assign (resid 3 and name HD2#)(resid 65 and name HG#) 4.0 4.7 3.5
assign (resid 4 and name HH2)(resid 33 and name HG#) 3.0 2.2 1.3
assign (resid 4 and name HH2)(resid 33 and name HB#) 4.0 3.2 2.0
assign (resid 4 and name HB#)(resid 47 and name HA) 4.0 3.2 2.0
assign (resid 4 and name HB#)(resid 47 and name HB2) 4.0 3.2 2.0
assign (resid 4 and name HB#)(resid 47 and name HB1) 4.0 3.2 2.0
assign (resid 4 and name HZ3)(resid 49 and name HB1) 4.0 2.2 1.0
assign (resid 4 and name HZ3)(resid 49 and name HB2) 4.0 2.2 1.0
assign (resid 4 and name HB#)(resid 49 and name HA) 4.0 3.2 2.0
assign (resid 4 and name HA)(resid 49 and name HA) 3.0 1.2 0.3
assign (resid 4 and name HD1)(resid 49 and name HA) 4.0 2.2 1.0
assign (resid 4 and name HA)(resid 50 and name HB#) 4.0 3.7 2.5
assign (resid 5 and name HG1#)(resid 48 and name HD1) 4.0 5.7 2.5
assign (resid 5 and name HG1#)(resid 48 and name HB2) 4.0 3.7 2.5
assign (resid 5 and name HG1#)(resid 48 and name HB1) 4.0 3.7 2.5
assign (resid 5 and name HB)(resid 50 and name HB#) 4.0 3.7 2.5
assign (resid 5 and name HG1#)(resid 50 and name HA) 4.0 3.7 2.5
assign (resid 5 and name HG1#)(resid 53 and name HD1#) 3.0 4.2 3.3
assign (resid 5 and name HG2#)(resid 53 and name HD1#) 3.0 4.2 3.3
assign (resid 5 and name HG2#)(resid 53 and name HD2#) 4.0 5.2 4.0
assign (resid 5 and name HB)(resid 53 and name HD2#) 4.0 3.7 2.5
assign (resid 5 and name HG2#)(resid 61 and name HD*) 2.5 4.6 4.1
assign (resid 6 and name HB2)(resid 47 and name HA) 5.0 2.2 1.0
assign (resid 6 and name HA)(resid 47 and name HA) 3.0 1.2 0.3
assign (resid 6 and name HA)(resid 47 and name HG#) 4.0 3.2 2.0
assign (resid 6 and name HB1)(resid 47 and name HA) 4.0 2.2 1.0
assign (resid 7 and name HB#)(resid 20 and name HA) 4.0 3.2 2.0
assign (resid 7 and name HB#)(resid 20 and name HB#) 4.0 4.2 3.0
assign (resid 7 and name HA)(resid 23 and name HG1#) 3.0 2.7 1.8
assign (resid 7 and name HG#)(resid 23 and name HG1#) 4.0 4.7 3.5
assign (resid 7 and name HB#)(resid 23 and name HG1#) 3.0 3.7 2.8
assign (resid 7 and name HD#)(resid 24 and name HD1#) 4.0 4.7 3.5
assign (resid 7 and name HG#)(resid 24 and name HD1#) 3.0 3.7 2.8
assign (resid 7 and name HG#)(resid 24 and name HG1#) 4.0 4.2 3.0
assign (resid 7 and name HB#)(resid 24 and name HD1#) 4.0 4.7 3.5
assign (resid 7 and name HD#)(resid 46 and name HB) 4.0 3.2 2.0
assign (resid 7 and name HG#)(resid 46 and name HG2#) 4.0 4.7 3.5
assign (resid 7 and name HG#)(resid 46 and name HG1#) 4.0 4.2 3.0
assign (resid 7 and name HD#)(resid 46 and name HG2#) 4.0 4.7 3.5
assign (resid 7 and name HD#)(resid 47 and name HA) 4.0 3.2 2.0
assign (resid 7 and name HD#)(resid 47 and name HG#) 4.0 4.2 3.0
assign (resid 7 and name HD#)(resid 48 and name HE1) 4.0 5.2 3.0
assign (resid 7 and name HA)(resid 48 and name HE1) 4.0 4.2 2.0
assign (resid 7 and name HG#)(resid 48 and name HE1) 4.0 5.2 3.0
assign (resid 7 and name HB#)(resid 48 and name HE1) 4.0 5.2 3.0
assign (resid 8 and name HB2)(resid 20 and name HB#) 4.0 3.2 2.0
assign (resid 8 and name HA)(resid 20 and name HB#) 3.0 2.2 1.3
assign (resid 9 and name HB1)(resid 61 and name HD*) 3.0 3.6 2.7
assign (resid 9 and name HB1)(resid 64 and name HD#) 3.0 2.2 1.3
assign (resid 10 and name HD2#)(resid 16 and name HD2#) 3.0 4.2 3.3
assign (resid 10 and name HD2#)(resid 16 and name HD1#) 4.0 5.2 4.0
assign (resid 10 and name HA)(resid 16 and name HD1#) 4.0 3.7 2.5
assign (resid 10 and name HD1#)(resid 23 and name HB) 4.0 3.7 2.5
assign (resid 10 and name HD1#)(resid 32 and name HH2) 4.0 3.7 2.5
assign (resid 10 and name HD1#)(resid 32 and name HZ3) 3.0 2.7 1.8
assign (resid 10 and name HD1#)(resid 32 and name HE3) 4.0 3.7 2.5
assign (resid 10 and name HD1#)(resid 48 and name HD1) 3.0 4.7 2.8
assign (resid 10 and name HD1#)(resid 48 and name HE1) 4.0 5.7 3.5
assign (resid 10 and name HD1#)(resid 48 and name HB1) 4.0 3.7 2.5
assign (resid 10 and name HD1#)(resid 48 and name HB2) 4.0 3.7 2.5
assign (resid 10 and name HD2#)(resid 53 and name HD2#) 3.0 4.2 3.3
assign (resid 10 and name HA)(resid 53 and name HD1#) 4.0 3.7 2.5
assign (resid 10 and name HD2#)(resid 53 and name HD1#) 2.5 3.7 3.2
assign (resid 10 and name HD1#)(resid 53 and name HD1#) 3.0 4.2 3.3
assign (resid 10 and name HD1#)(resid 53 and name HD2#) 3.0 4.2 3.3
assign (resid 10 and name HA)(resid 61 and name HD*) 4.0 4.6 3.4
assign (resid 11 and name HB#)(resid 18 and name HA) 3.0 2.7 1.8
assign (resid 11 and name HB#)(resid 19 and name HA) 3.0 2.7 1.8
assign (resid 11 and name HA)(resid 19 and name HG2#) 4.0 3.7 2.5
assign (resid 11 and name HB#)(resid 19 and name HB) 4.0 3.7 2.5
assign (resid 11 and name HB#)(resid 20 and name HA) 3.0 2.7 1.8
assign (resid 11 and name HB#)(resid 20 and name HB#) 4.0 4.7 3.5
assign (resid 11 and name HA)(resid 23 and name HG2#) 3.0 2.7 1.8
assign (resid 12 and name HA)(resid 18 and name HB2) 5.0 2.2 1.0
assign (resid 12 and name HA)(resid 18 and name HA) 3.0 1.2 0.3
assign (resid 12 and name HB#)(resid 18 and name HA) 4.0 3.2 2.0
assign (resid 13 and name HD1#)(resid 53 and name HD1#) 4.0 5.2 4.0
assign (resid 13 and name HB1)(resid 56 and name HB#) 4.0 3.2 2.0
assign (resid 13 and name HB1)(resid 57 and name HA) 3.0 1.2 0.3
assign (resid 13 and name HD2#)(resid 57 and name HB#) 3.0 4.2 3.3
assign (resid 13 and name HB1)(resid 57 and name HB#) 3.0 2.7 1.8
assign (resid 13 and name HB2)(resid 57 and name HB#) 4.0 3.7 2.5
assign (resid 13 and name HD1#)(resid 57 and name HA) 4.0 3.7 2.5
assign (resid 13 and name HD1#)(resid 58 and name HA) 4.0 3.7 2.5
assign (resid 13 and name HA)(resid 60 and name HB#) 4.0 3.7 2.5
assign (resid 13 and name HB1)(resid 60 and name HB#) 3.0 2.7 1.8
assign (resid 13 and name HD2#)(resid 60 and name HB#) 2.5 3.7 3.2
assign (resid 13 and name HD1#)(resid 60 and name HB#) 3.0 4.2 3.3
assign (resid 13 and name HD2#)(resid 60 and name HA) 4.0 3.7 2.5
assign (resid 13 and name HD1#)(resid 61 and name HB#) 4.0 4.7 3.5
assign (resid 13 and name HD2#)(resid 61 and name HA) 4.0 3.7 2.5
assign (resid 13 and name HD1#)(resid 61 and name HA) 4.0 3.7 2.5
assign (resid 13 and name HD2#)(resid 64 and name HD#) 3.0 3.7 2.8
assign (resid 14 and name HD#)(resid 57 and name HA) 4.0 3.2 2.0
assign (resid 14 and name HD#)(resid 60 and name HA) 4.0 3.2 2.0
assign (resid 14 and name HG#)(resid 60 and name HB#) 3.0 3.7 2.8
assign (resid 14 and name HD#)(resid 60 and name HB#) 3.0 3.7 2.8
assign (resid 16 and name HA)(resid 23 and name HG2#) 4.0 2.7 2.5
assign (resid 16 and name HD2#)(resid 32 and name HH2) 3.0 2.7 1.8
assign (resid 16 and name HD2#)(resid 32 and name HZ2) 3.0 2.7 1.8
assign (resid 16 and name HD1#)(resid 32 and name HZ2) 4.0 3.7 2.5
assign (resid 16 and name HD1#)(resid 32 and name HH2) 3.0 2.7 1.8
assign (resid 16 and name HD2#)(resid 53 and name HD2#) 3.0 4.2 3.3
assign (resid 16 and name HD1#)(resid 53 and name HD2#) 3.0 4.2 3.3
assign (resid 16 and name HD1#)(resid 53 and name HD1#) 4.0 5.2 4.0
assign (resid 16 and name HD2#)(resid 54 and name HD#) 3.0 3.7 2.8
assign (resid 16 and name HD2#)(resid 54 and name HG#) 3.0 3.7 2.8
assign (resid 16 and name HD1#)(resid 54 and name HG#) 4.0 4.7 3.5
assign (resid 16 and name HD1#)(resid 54 and name HD#) 3.0 3.7 2.8
assign (resid 16 and name HD2#)(resid 57 and name HB#) 2.5 3.7 3.2
assign (resid 16 and name HD2#)(resid 57 and name HA) 4.0 3.7 2.5
assign (resid 17 and name HB#)(resid 23 and name HG2#) 4.0 4.7 3.5
assign (resid 17 and name HD#)(resid 23 and name HA) 4.0 3.2 2.0
assign (resid 17 and name HG#)(resid 23 and name HA) 3.0 2.2 1.3
assign (resid 17 and name HD#)(resid 23 and name HG2#) 4.0 4.7 3.5
assign (resid 17 and name HD#)(resid 26 and name HG1#) 4.0 4.7 3.5
assign (resid 23 and name HG1#)(resid 32 and name HE3) 4.0 3.7 2.5
assign (resid 23 and name HG1#)(resid 32 and name HH2) 3.0 2.7 1.8
assign (resid 23 and name HG1#)(resid 32 and name HZ3) 3.0 2.7 1.8
assign (resid 23 and name HG1#)(resid 48 and name HE1) 3.0 4.7 2.8
assign (resid 23 and name HB)(resid 48 and name HE1) 4.0 4.2 2.0
assign (resid 24 and name HD1#)(resid 46 and name HG2#) 3.0 4.2 3.3
assign (resid 24 and name HD1#)(resid 46 and name HB) 4.0 3.7 2.5
assign (resid 24 and name HA)(resid 48 and name HE#) 4.0 4.2 3.0
assign (resid 24 and name HG1#)(resid 48 and name HE1) 4.0 5.2 3.0
assign (resid 26 and name HG1#)(resid 32 and name HH2) 4.0 3.7 2.5
assign (resid 26 and name HG1#)(resid 32 and name HZ2) 3.0 2.7 1.8
assign (resid 27 and name HB#)(resid 48 and name HD2) 3.0 4.7 2.8
assign (resid 27 and name HB#)(resid 48 and name HE2) 3.0 4.7 2.8
assign (resid 32 and name HZ3)(resid 48 and name HD2) 4.0 4.2 2.0
assign (resid 32 and name HE3)(resid 48 and name HD2) 4.0 4.2 2.0
assign (resid 32 and name HB2)(resid 48 and name HD2) 4.0 4.2 2.0
assign (resid 32 and name HA)(resid 52 and name HB2) 4.0 2.2 1.0
assign (resid 32 and name HA)(resid 52 and name HB1) 4.0 2.2 1.0
assign (resid 32 and name HB1)(resid 52 and name HB2) 4.0 2.2 1.0
assign (resid 32 and name HB1)(resid 52 and name HB1) 4.0 2.2 1.0
assign (resid 32 and name HH2)(resid 53 and name HD2#) 4.0 3.7 2.5
assign (resid 32 and name HZ2)(resid 53 and name HD2#) 4.0 3.7 2.5
assign (resid 32 and name HZ3)(resid 53 and name HD2#) 4.0 3.7 2.5
assign (resid 32 and name HZ2)(resid 54 and name HG#) 4.0 3.2 2.0
assign (resid 32 and name HZ2)(resid 54 and name HD#) 4.0 3.2 2.0
assign (resid 33 and name HB#)(resid 49 and name HB1) 3.0 2.2 1.3
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assign (resid 34 and name HB1)(resid 46 and name HD1#) 4.0 3.7 2.5
assign (resid 34 and name HB1)(resid 46 and name HG2#) 4.0 3.7 2.5
assign (resid 34 and name HB1)(resid 46 and name HD#) 4.0 3.7 2.5
assign (resid 34 and name HB2)(resid 46 and name HD1#) 4.0 3.7 2.5
assign (resid 34 and name HB2)(resid 46 and name HG2#) 4.0 3.7 2.5
assign (resid 34 and name HB1)(resid 48 and name HD2) 3.0 3.2 1.3
assign (resid 34 and name HB2)(resid 48 and name HA) 4.0 2.2 1.0
assign (resid 34 and name HB1)(resid 48 and name HA) 4.0 2.2 1.0
assign (resid 34 and name HB1)(resid 48 and name HE2) 3.0 3.2 1.3
assign (resid 34 and name HB2)(resid 48 and name HE2) 4.0 4.2 2.0
assign (resid 34 and name HB2)(resid 48 and name HD2) 4.0 4.2 2.0
assign (resid 34 and name HA)(resid 48 and name HA) 3.0 1.2 0.3
assign (resid 34 and name HA)(resid 48 and name HD2) 3.0 3.2 1.3
assign (resid 35 and name HD#)(resid 47 and name HB2) 4.0 3.2 2.0
assign (resid 36 and name HG2#)(resid 44 and name HB#) 3.0 3.7 2.8
assign (resid 36 and name HG2#)(resid 44 and name HD#) 3.0 3.7 2.8
assign (resid 36 and name HG2#)(resid 44 and name HA) 3.0 2.7 1.8
assign (resid 36 and name HB)(resid 44 and name HB#) 4.0 3.2 2.0
assign (resid 36 and name HA)(resid 45 and name HB#) 4.0 3.7 2.5
assign (resid 36 and name HG2#)(resid 46 and name HD1#) 4.0 5.2 4.0
assign (resid 36 and name HA)(resid 46 and name HG2#) 4.0 3.7 2.5
assign (resid 36 and name HA)(resid 46 and name HA) 3.0 1.2 0.3
assign (resid 36 and name HA)(resid 46 and name HB) 5.0 2.2 1.0
assign (resid 36 and name HG2#)(resid 46 and name HA) 3.0 2.7 1.8
assign (resid 36 and name HG2#)(resid 46 and name HG1#) 4.0 4.7 3.5
assign (resid 36 and name HB)(resid 46 and name HA) 4.0 2.2 1.0
assign (resid 38 and name HB#)(resid 44 and name HA) 4.0 3.7 2.5
assign (resid 38 and name HA)(resid 44 and name HA) 3.0 1.2 0.3
assign (resid 39 and name HA#)(resid 45 and name HB#) 4.0 4.7 3.5
assign (resid 50 and name HB#)(resid 58 and name HE#) 4.0 4.7 3.5
assign (resid 50 and name HA)(resid 61 and name HD*) 4.0 4.6 3.4
assign (resid 50 and name HB#)(resid 61 and name HD*) 4.0 6.1 4.9
assign (resid 51 and name HA)(resid 58 and name HE#) 3.0 2.2 1.3
assign (resid 51 and name HB#)(resid 58 and name HE#) 4.0 4.2 3.0
assign (resid 53 and name HD2#)(resid 61 and name HB#) 4.0 4.7 3.5
assign (resid 53 and name HD2#)(resid 61 and name HD*) 4.0 6.1 4.9
assign (resid 53 and name HD1#)(resid 61 and name HD*) 4.0 6.1 4.9
assign (resid 4 and name HE3)(resid 35 and name HN) 3.0 1.2 0.5
assign (resid 4 and name HZ3)(resid 35 and name HN) 3.0 1.2 0.5
assign (resid 4 and name HZ3)(resid 49 and name HN) 3.0 1.2 0.5
assign (resid 5 and name HN)(resid 47 and name HA) 4.0 2.2 1.0
assign (resid 5 and name HN)(resid 48 and name HB1) 4.0 2.2 1.0
assign (resid 5 and name HG1#)(resid 48 and name HN) 4.0 3.7 2.5
assign (resid 5 and name HN)(resid 49 and name HA) 4.0 2.2 1.0
assign (resid 6 and name HA)(resid 48 and name HN) 4.0 2.2 1.0
assign (resid 7 and name HD#)(resid 46 and name HN) 4.0 3.2 2.0
assign (resid 8 and name HN)(resid 20 and name HB#) 3.0 2.2 1.5
assign (resid 8 and name HA)(resid 20 and name HN) 4.0 2.2 1.0
assign (resid 8 and name HN)(resid 24 and name HD1#) 4.0 3.7 2.5
assign (resid 11 and name HA)(resid 18 and name HN) 4.0 2.2 1.0
assign (resid 16 and name HG)(resid 57 and name HN) 4.0 2.2 1.0
assign (resid 17 and name HG#)(resid 23 and name HN) 4.0 3.2 2.0
assign (resid 33 and name HB#)(resid 49 and name HD2#) 4.0 4.2 3.0
assign (resid 33 and name HE2#)(resid 49 and name HD2#) 3.0 3.2 2.5
assign (resid 33 and name HB#)(resid 49 and name HN) 4.0 3.2 2.0
assign (resid 33 and name HN)(resid 52 and name HB1) 4.0 2.2 1.0
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assign (resid 35 and name HN)(resid 47 and name HB2) 4.0 2.2 1.0
assign (resid 35 and name HN)(resid 47 and name HB1) 4.0 2.2 1.0
assign (resid 35 and name HN)(resid 48 and name HA) 4.0 2.2 1.0
assign (resid 36 and name HA)(resid 45 and name HN) 4.0 2.2 1.0
assign (resid 36 and name HG2#)(resid 45 and name HN) 3.0 2.7 2.0
assign (resid 36 and name HA)(resid 46 and name HN) 4.0 2.2 1.0
assign (resid 36 and name HG2#)(resid 46 and name HN) 4.0 3.7 2.5
assign (resid 36 and name HG2#)(resid 47 and name HN) 4.0 3.7 2.5
assign (resid 3 and name HB2)(resid 50 and name HB#) 4.0 3.7 2.5
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assign (resid 3 and name HD1#)(resid 50 and name HB#) 4.0 5.2 4.0
assign (resid 3 and name HG)(resid 50 and name HB#) 4.0 3.7 2.5
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assign (resid 5 and name HG1#)(resid 50 and name HB#) 4.0 5.2 4.0
assign (resid 5 and name HG2#)(resid 50 and name HB#) 4.0 5.2 4.0
assign (resid 5 and name HG2#)(resid 53 and name HG) 4.0 3.7 2.5
assign (resid 5 and name HG1#)(resid 61 and name HD*) 3.0 5.1 4.2
assign (resid 10 and name HB1)(resid 16 and name HD1#) 4.0 3.7 2.5
assign (resid 10 and name HD1#)(resid 23 and name HG1#) 3.0 4.2 3.3
assign (resid 10 and name HG)(resid 61 and name HD*) 4.0 4.6 3.4
assign (resid 11 and name HB#)(resid 23 and name HG2#) 3.0 4.2 3.3
assign (resid 13 and name HD1#)(resid 61 and name HD*) 4.0 6.1 4.9
assign (resid 13 and name HD1#)(resid 64 and name HG#) 3.0 3.7 2.8
assign (resid 16 and name HD1#)(resid 23 and name HG1#) 4.0 5.2 4.0
assign (resid 16 and name HB1)(resid 23 and name HG2#) 4.0 3.7 2.5
assign (resid 16 and name HD2#)(resid 26 and name HG1#) 3.0 4.2 3.3
assign (resid 16 and name HD1#)(resid 57 and name HB#) 3.0 4.2 3.3
assign (resid 17 and name HG#)(resid 26 and name HG2#) 3.0 3.7 2.8
assign (resid 32 and name HA)(resid 52 and name HA) 4.0 2.2 1.0
assign (resid 4 and name HA)(resid 50 and name HN) 4.0 2.2 1.0
assign (resid 10 and name HN)(resid 23 and name HG1#) 4.0 3.7 2.5
assign (resid 11 and name HB#)(resid 19 and name HN) 4.0 3.7 2.5
assign (resid 12 and name HN)(resid 18 and name HA) 4.0 2.2 1.0
assign (resid 12 and name HN)(resid 23 and name HG2#) 4.0 3.7 2.5
assign (resid 36 and name HA)(resid 47 and name HN) 4.0 2.2 1.0
assign (resid 37 and name HN)(resid 45 and name HB#) 4.0 3.7 2.5
assign (resid 37 and name HN)(resid 46 and name HA) 4.0 2.2 1.0

assign (resid 7 and name O)(resid 11 and name N) 3.3 1.0 0.2
assign (resid 7 and name O)(resid 11 and name HN) 2.3 1.0 0.2
assign (resid 21 and name O)(resid 25 and name N) 3.3 1.0 0.2
assign (resid 21 and name O)(resid 25 and name HN) 2.3 1.0 0.2
assign (resid 22 and name O)(resid 26 and name N) 3.3 1.0 0.2
assign (resid 22 and name O)(resid 26 and name HN) 2.3 1.0 0.2
assign (resid 23 and name O)(resid 27 and name N) 3.3 1.0 0.2
assign (resid 23 and name O)(resid 27 and name HN) 2.3 1.0 0.2
assign (resid 56 and name O)(resid 60 and name N) 3.3 1.0 0.2
assign (resid 56 and name O)(resid 60 and name HN) 2.3 1.0 0.2
assign (resid 57 and name O)(resid 61 and name N) 3.3 1.0 0.2
assign (resid 57 and name O)(resid 61 and name HN) 2.3 1.0 0.2
assign (resid 58 and name O)(resid 62 and name N) 3.3 1.0 0.2
assign (resid 58 and name O)(resid 62 and name HN) 2.3 1.0 0.2
assign (resid 59 and name O)(resid 63 and name N) 3.3 1.0 0.2
assign (resid 59 and name O)(resid 63 and name HN) 2.3 1.0 0.2
assign (resid 60 and name O)(resid 64 and name N) 3.3 1.0 0.2
assign (resid 60 and name O)(resid 64 and name HN) 2.3 1.0 0.2



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.


!REMARK PHI ANGLE CONSRAINTS


!L3 
assign (resid 3 and name c)  (resid 4 and name n)
       (resid 4 and name ca) (resid 4 and name c) 1.0   -120.0 40.0 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   -135.0 10.0 2


!K8
assign (resid 7 and name c)  (resid 8 and name n)
       (resid 8 and name ca) (resid 8 and name c) 1.0   -60.0 10.0 2

!E9
assign (resid 8 and name c)  (resid 9 and name n)
       (resid 9 and name ca) (resid 9 and name c) 1.0   -85.0 10.0 2

!L10
assign (resid 9 and name c)  (resid 10 and name n)
       (resid 10 and name ca) (resid 10 and name c) 1.0   -85.0 10.0 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 -53.0 10.0 2

!N12
assign (resid 11 and name c)  (resid 12 and name n)
       (resid 12 and name ca) (resid 12 and name c) 1.0 -153.0 10.0 2

!L13
assign (resid 12 and name c)  (resid 13 and name n)
       (resid 13 and name ca) (resid 13 and name c) 1.0 -80.0 10.0 2

!L16
assign (resid 15 and name c)  (resid 16 and name n)
       (resid 16 and name ca) (resid 16 and name c) 1.0 -95.0 10.0 2

!T19
assign (resid 18 and name c)  (resid 19 and name n)
       (resid 19 and name ca) (resid 19 and name c) 1.0 -120.0 15.0 2

!S20
assign (resid 19 and name c)  (resid 20 and name n)
       (resid 20 and name ca) (resid 20 and name c) 1.0 -55.0 10.0 2

!A21
assign (resid 20 and name c)  (resid 21 and name n)
       (resid 21 and name ca) (resid 21 and name c) 1.0 -55.0 10.0 2

!V23
assign (resid 22 and name c)  (resid 23 and name n)
       (resid 23 and name ca) (resid 23 and name c) 1.0 -67.0 10.0 2

!I24 
assign (resid 23 and name c)  (resid 24 and name n)
       (resid 24 and name ca) (resid 24 and name c) 1.0 -45.0 30.0 2

!Y25
assign (resid 24 and name c)  (resid 25 and name n)
       (resid 25 and name ca) (resid 25 and name c) 1.0 -60.0 10.0 2

!V26 
assign (resid 25 and name c)  (resid 26 and name n)
       (resid 26 and name ca) (resid 26 and name c) 1.0 -45.0 30.0 2

!A27 
assign (resid 26 and name c)  (resid 27 and name n)
       (resid 27 and name ca) (resid 27 and name c) 1.0 -45.0 30.0 2

!K28
assign (resid 27 and name c)  (resid 28 and name n)
       (resid 28 and name ca) (resid 28 and name c) 1.0 -70.0 10.0 2 
							
!K29	  
assign (resid 28 and name c)  (resid 29 and name n)
       (resid 29 and name ca) (resid 29 and name c) 1.0 -65.0 10.0 2

!Q30
assign (resid 29 and name c)  (resid 30 and name n)
       (resid 30 and name ca) (resid 30 and name c) 1.0 -150.0 10.0 2


!W32 
assign (resid 31 and name c)  (resid 32 and name n)
       (resid 32 and name ca) (resid 32 and name c) 1.0 -45.0 40.0 2

!Q33 
assign (resid 32 and name c)  (resid 33 and name n)
       (resid 33 and name ca) (resid 33 and name c) 1.0 -45.0 40.0 2
!N34
assign (resid 33 and name c)  (resid 34 and name n)
       (resid 34 and name ca) (resid 34 and name c) 1.0 -100.0 10.0 2

!R35
assign (resid 34 and name c)  (resid 35 and name n)
       (resid 35 and name ca) (resid 35 and name c) 1.0 -88.0 10.0 2

!T36   
assign (resid 35 and name c)  (resid 36 and name n)
       (resid 36 and name ca) (resid 36 and name c) 1.0 -95.0 10.0 2

!R37 
assign (resid 36 and name c)  (resid 37 and name n)
       (resid 37 and name ca) (resid 37 and name c) 1.0 -100.0 70.0 2

!A45  
assign (resid 44 and name c)  (resid 45 and name n)
       (resid 45 and name ca) (resid 45 and name c) 1.0 -90.0 10.0 2

!Y48
assign (resid 47 and name c)  (resid 48 and name n)
       (resid 48 and name ca) (resid 48 and name c) 1.0 -120.0 15.0 2

!N49
assign (resid 48 and name c)  (resid 49 and name n)
       (resid 49 and name ca) (resid 49 and name c) 1.0 -78.0 10.0 2

!A50
assign (resid 49 and name c)  (resid 50 and name n)
       (resid 50 and name ca) (resid 50 and name c) 1.0 -55.0 10.0 2

!N51
assign (resid 50 and name c)  (resid 51 and name n)
       (resid 51 and name ca) (resid 51 and name c) 1.0 -70.0 10.0 2

!S52
assign (resid 51 and name c)  (resid 52 and name n)
       (resid 52 and name ca) (resid 52 and name c) 1.0 -90.0 10.0 2

!L53
assign (resid 52 and name c)  (resid 53 and name n)
       (resid 53 and name ca) (resid 53 and name c) 1.0 -67.0 10.0 2

!E56
assign (resid 55 and name c)  (resid 56 and name n)
       (resid 56 and name ca) (resid 56 and name c) 1.0 -60.0 10.0 2

!A57
assign (resid 56 and name c)  (resid 57 and name n)
       (resid 57 and name ca) (resid 57 and name c) 1.0 -80.0 10.0 2

!K58  
assign (resid 57 and name c)  (resid 58 and name n)
       (resid 58 and name ca) (resid 58 and name c) 1.0 -45.0 30.0 2

!A60
assign (resid 59 and name c)  (resid 60 and name n)
       (resid 60 and name ca) (resid 60 and name c) 1.0 -68.0 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 -62.0 10.0 2

!L63
assign (resid 62 and name c)  (resid 63 and name n)
       (resid 63 and name ca) (resid 63 and name c) 1.0 -68.0 10.0 2

!R64
assign (resid 63 and name c)  (resid 64 and name n)
       (resid 64 and name ca) (resid 64 and name c) 1.0 -75.0 10.0 2

!chi1

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

assign (resid 23 and name n)  (resid 23 and name ca)
       (resid 23 and name cb) (resid 23 and name cg1) 1.0 180.0 20.0 2

assign (resid 26 and name n)  (resid 26 and name ca)
       (resid 26 and name cb) (resid 26 and name cg1) 1.0 180.0 20.0 2

assign (resid 55 and name n)  (resid 55 and name ca)
       (resid 55 and name cb) (resid 55 and name cg1) 1.0 180.0 20.0 2

!isoleucines

assign (resid 24 and name n)  (resid 24 and name ca)
       (resid 24 and name cb) (resid 24 and name cg1) 1.0 -60.0 20.0 2

!AMX-type

assign (resid 3 and name n)  (resid 3 and name ca)
       (resid 3 and name cb) (resid 3 and name cg)   1.0  180.0 20.0 2

!S6 
assign (resid 6 and name n)  (resid 6 and name ca)
       (resid 6 and name cb) (resid 6 and name og)   1.0  -60.0 20.0 2

assign (resid 8 and name n)  (resid 8 and name ca)
       (resid 8 and name cb) (resid 8 and name cg)   1.0  60.0 20.0 2

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

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

assign (resid 13 and name n)  (resid 13 and name ca)
       (resid 13 and name cb) (resid 13 and name cg) 1.0 -60.0 20.0 2

assign (resid 16 and name n)  (resid 16 and name ca)
       (resid 16 and name cb) (resid 16 and name cg) 1.0 -60.0 20.0 2

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

assign (resid 19 and name n)  (resid 19 and name ca)
       (resid 19 and name cb) (resid 19 and name og1) 1.0 60.0 20.0 2

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

assign (resid 32 and name n)  (resid 32 and name ca)
       (resid 32 and name cb) (resid 32 and name cg) 1.0 -60.0 20.0 2

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

assign (resid 47 and name n)  (resid 47 and name ca)
       (resid 47 and name cb) (resid 47 and name cg) 1.0  -60.0 20.0 2

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

assign (resid 49 and name n)  (resid 49 and name ca)
       (resid 49 and name cb) (resid 49 and name cg) 1.0  180.0 20.0 2

assign (resid 52 and name n)  (resid 52 and name ca)
       (resid 52 and name cb) (resid 52 and name og) 1.0  -60.0 20.0 2

assign (resid 53 and name n)  (resid 53 and name ca)
       (resid 53 and name cb) (resid 53 and name cg) 1.0  -60.0 20.0 2

!  L61 
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

!chi2 ILE

assign (resid 3 and name ca) (resid 3 and name cb)
       (resid 3 and name cg) (resid 3 and name cd1)    1.0 60.0 20.0 2

assign (resid 10 and name ca) (resid 10 and name cb)
       (resid 10 and name cg) (resid 10 and name cd1)   1.0 180.0 20.0 2

assign (resid 13 and name ca) (resid 13 and name cb)
       (resid 13 and name cg) (resid 13 and name cd1)   1.0 180.0 20.0 2

assign (resid 16 and name ca) (resid 16 and name cb)
       (resid 16 and name cg) (resid 16 and name cd1)   1.0 180.0 20.0 2

assign (resid 53 and name ca) (resid 53 and name cb)
       (resid 53 and name cg) (resid 53 and name cd1)   1.0 180.0 20.0 2

assign (resid 62 and name ca) (resid 62 and name cb)
       (resid 62 and name cg) (resid 62 and name cd1)   1.0 120.0 80.0 2

assign (resid 24 and name ca) (resid 24 and name cb)
       (resid 24 and name cg1) (resid 24 and name cd1)   1.0 180.0 20.0 2

assign (resid 4 and name ca) (resid 4 and name cb)
       (resid 4 and name cg) (resid 4 and name cd1)   1.0   90.0 30.0 2

assign (resid 25 and name ca) (resid 25 and name cb)
       (resid 25 and name cg) (resid 25 and name cd1)   1.0   90.0 30.0 2

assign (resid 32 and name ca) (resid 32 and name cb)
       (resid 32 and name cg) (resid 32 and name cd1)   1.0   -90.0 30.0 2

assign (resid 48 and name ca) (resid 48 and name cb)
       (resid 48 and name cg) (resid 48 and name cd1)   1.0   90.0 30.0 2


end


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.




!remark phi angle coupling constants

  !!    E2 
 assign (resid  1  and name c ) (resid  2  and name n ) 
        (resid  2  and name ca) (resid  2  and name c )     8.0 1.0 


  !!    V5
 assign (resid  4  and name c ) (resid  5  and name n ) 
        (resid  5  and name ca) (resid  5  and name c )     9.7 1.0 

  !!    K8
 assign (resid  7  and name c ) (resid  8  and name n ) 
        (resid  8  and name ca) (resid  8  and name c )     4.3 1.0 

  !!    E9
 assign (resid  8  and name c ) (resid  9  and name n ) 
        (resid  9  and name ca) (resid  9  and name c )     7.4 1.0 

  !!    L10
 assign (resid  9  and name c ) (resid  10  and name n ) 
        (resid  10  and name ca) (resid  10  and name c )   7.2 1.0 

  !!    A11
 assign (resid  10  and name c ) (resid  11  and name n ) 
        (resid  11  and name ca) (resid  11  and name c )   3.2 1.0 

  !!    N12
 assign (resid  11  and name c ) (resid  12  and name n ) 
        (resid  12  and name ca) (resid  12  and name c )   7.8 1.0 

  !!    L13
 assign (resid  12  and name c ) (resid  13  and name n ) 
        (resid  13  and name ca) (resid  13  and name c )   6.8 1.0 

  !!    L16
 assign (resid  15  and name c ) (resid  16  and name n ) 
        (resid  16  and name ca) (resid  16  and name c )   8.6 1.0 


  !!    T19
 assign (resid  18  and name c ) (resid  19  and name n ) 
        (resid  19  and name ca) (resid  19  and name c )   9.6 1.0 

  !!    S20
 assign (resid  19  and name c ) (resid  20  and name n ) 
        (resid  20  and name ca) (resid  20  and name c )   3.3 1.0 

  !!    A21
 assign (resid  20  and name c ) (resid  21  and name n ) 
        (resid  21  and name ca) (resid  21  and name c )   3.3 1.0 

  !!    V23
 assign (resid  22  and name c ) (resid  23  and name n ) 
        (resid  23  and name ca) (resid  23  and name c )   4.9 1.0 

  !!    Y25
  assign (resid  24  and name c ) (resid  25  and name n ) 
         (resid  25  and name ca) (resid  25  and name c )   4.1 1.0 


  !!    K28
 assign (resid  27  and name c ) (resid  28  and name n ) 
        (resid  28  and name ca) (resid  28  and name c )   5.5 1.0 

  !!    K29
 assign (resid  28  and name c ) (resid  29  and name n ) 
        (resid  29  and name ca) (resid  29  and name c )   4.6 1.0 

  !!    Q30
 assign (resid  29  and name c ) (resid  30  and name n ) 
        (resid  30  and name ca) (resid  30  and name c )   7.8 1.0 


  !!    N34
 assign (resid  33  and name c ) (resid  34  and name n ) 
        (resid  34  and name ca) (resid  34  and name c )   8.9 1.0 

  !!    R35
 assign (resid  34  and name c ) (resid  35  and name n ) 
        (resid  35  and name ca) (resid  35  and name c )   7.7 1.0 

  !!    T36
 assign (resid  35  and name c ) (resid  36  and name n ) 
        (resid  36  and name ca) (resid  36  and name c )   8.6 3.0 

  !!    R37
 assign (resid  36  and name c ) (resid  37  and name n ) 
        (resid  37  and name ca) (resid  37  and name c )   8.1 3.0 

  !!    A38
 assign (resid  37  and name c ) (resid  38  and name n ) 
        (resid  38  and name ca) (resid  38  and name c )   5.6 1.0 

  !!    A45
 assign (resid  44  and name c ) (resid  45  and name n ) 
        (resid  45  and name ca) (resid  45  and name c )   8.0 1.0 

  !!    I46
 assign (resid  45  and name c ) (resid  46  and name n ) 
        (resid  46  and name ca) (resid  46  and name c )   8.1 1.0 


  !!    Y48
 assign (resid  47  and name c ) (resid  48  and name n ) 
        (resid  48  and name ca) (resid  48  and name c )   9.7 1.0 

  !!    N49
 assign (resid  48  and name c ) (resid  49  and name n ) 
        (resid  49  and name ca) (resid  49  and name c )   6.5 1.0 

  !!    A50
 assign (resid  49  and name c ) (resid  50  and name n ) 
        (resid  50  and name ca) (resid  50  and name c )   3.4 1.0 

  !!    N51
 assign (resid  50  and name c ) (resid  51  and name n ) 
        (resid  51  and name ca) (resid  51  and name c )   5.6 1.0 

  !!    S52
 assign (resid  51  and name c ) (resid  52  and name n ) 
        (resid  52  and name ca) (resid  52  and name c )   7.9 1.0 

  !!    L53
 assign (resid  52  and name c ) (resid  53  and name n ) 
        (resid  53  and name ca) (resid  53  and name c )   5.1 1.0 

  !!    E56
 assign (resid  55  and name c ) (resid  56  and name n ) 
        (resid  56  and name ca) (resid  56  and name c )   4.1 1.0 

  !!    A57
 assign (resid  56  and name c ) (resid  57  and name n ) 
        (resid  57  and name ca) (resid  57  and name c )   6.9 1.0 

  !!    A60
 assign (resid  59  and name c ) (resid  60  and name n ) 
        (resid  60  and name ca) (resid  60  and name c )   5.0 1.0 

  !!    L61
 assign (resid  60  and name c ) (resid  61  and name n ) 
        (resid  61  and name ca) (resid  61  and name c )   4.4 1.0 


  !!    L63
 assign (resid  62  and name c ) (resid  63  and name n ) 
        (resid  63  and name ca) (resid  63  and name c )   5.1 1.0 

  !!    R64
 assign (resid  63  and name c ) (resid  64  and name n ) 
        (resid  64  and name ca) (resid  64  and name c )   6.1 1.0 


  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1           HT3      MET   1   8.493  -7.231  -7.231
    2   2H    MET   1           HT2      MET   1  10.010  -7.152  -7.152
    3   3H    MET   1           HT1      MET   1   8.602  -6.762  -6.762
    4    HA   MET   1           HA       MET   1   9.690  -4.733  -4.733
    5   1HB   MET   1           HB2      MET   1  10.930  -5.821  -5.821
    6   2HB   MET   1           HB1      MET   1   9.462  -5.586  -5.586
    7   1HG   MET   1           HG2      MET   1   9.551  -3.157  -3.157
    8   2HG   MET   1           HG1      MET   1  11.043  -3.403  -3.403
    9   1HE   MET   1           HE3      MET   1  11.148  -1.310  -1.310
   10   2HE   MET   1           HE2      MET   1  11.442  -1.687  -1.687
   11   3HE   MET   1           HE1      MET   1   9.845  -1.959  -1.959
   12    H    GLU   2           HN       GLU   2   8.232  -3.066  -3.066
   13    HA   GLU   2           HA       GLU   2   5.459  -3.665  -3.665
   14   1HB   GLU   2           HB2      GLU   2   6.708  -1.317  -1.317
   15   2HB   GLU   2           HB1      GLU   2   4.992  -1.427  -1.427
   16   1HG   GLU   2           HG2      GLU   2   4.924  -3.619  -3.619
   17   2HG   GLU   2           HG1      GLU   2   6.579  -3.311  -3.311
   18    H    LEU   3           HN       LEU   3   4.520  -2.812  -2.812
   19    HA   LEU   3           HA       LEU   3   5.551  -0.397  -0.397
   20   1HB   LEU   3           HB2      LEU   3   7.152  -2.152  -2.152
   21   2HB   LEU   3           HB1      LEU   3   5.792  -3.034  -3.034
   22    HG   LEU   3           HG       LEU   3   5.248  -0.919  -0.919
   23   1HD1  LEU   3          HD13      LEU   3   7.928  -0.159  -0.159
   24   2HD1  LEU   3          HD12      LEU   3   7.400   0.481   0.481
   25   3HD1  LEU   3          HD11      LEU   3   6.457   0.807   0.807
   26   1HD2  LEU   3          HD21      LEU   3   6.331  -2.924  -2.924
   27   2HD2  LEU   3          HD23      LEU   3   6.928  -1.442  -1.442
   28   3HD2  LEU   3          HD22      LEU   3   7.908  -2.282  -2.282
   29    H    TRP   4           HN       TRP   4   3.199  -0.090  -0.090
   30    HA   TRP   4           HA       TRP   4   1.215  -1.534  -1.534
   31   1HB   TRP   4           HB2      TRP   4   0.918   0.896   0.896
   32   2HB   TRP   4           HB1      TRP   4  -0.410  -0.034  -0.034
   33    HD1  TRP   4           HD1      TRP   4   2.614  -0.530  -0.530
   34    HE1  TRP   4           HE1      TRP   4   2.058  -2.418  -2.418
   35    HE3  TRP   4           HE3      TRP   4  -1.954  -1.966  -1.966
   36    HZ2  TRP   4           HZ2      TRP   4  -0.048  -4.299  -4.299
   37    HZ3  TRP   4           HZ3      TRP   4  -3.212  -3.809  -3.809
   38    HH2  TRP   4           HH2      TRP   4  -2.266  -4.977  -4.977
   39    H    VAL   5           HN       VAL   5  -0.255  -0.342  -0.342
   40    HA   VAL   5           HA       VAL   5   0.990   2.073   2.073
   41    HB   VAL   5           HB       VAL   5  -0.112  -0.313  -0.313
   42   1HG1  VAL   5          HG12      VAL   5   1.219   2.279   2.279
   43   2HG1  VAL   5          HG11      VAL   5   1.088   0.897   0.897
   44   3HG1  VAL   5          HG13      VAL   5  -0.368   1.679   1.679
   45   1HG2  VAL   5          HG21      VAL   5   2.029  -0.814  -0.814
   46   2HG2  VAL   5          HG23      VAL   5   2.208  -0.818  -0.818
   47   3HG2  VAL   5          HG22      VAL   5   2.769   0.565   0.565
   48    H    SER   6           HN       SER   6  -0.541   3.385   3.385
   49    HA   SER   6           HA       SER   6  -3.324   3.076   3.076
   50   1HB   SER   6           HB2      SER   6  -1.679   5.389   5.389
   51   2HB   SER   6           HB1      SER   6  -3.433   5.511   5.511
   52    HG   SER   6           HG       SER   6  -1.829   5.941   5.941
   53    HA   PRO   7           HA       PRO   7  -4.924   1.895   1.895
   54   1HB   PRO   7           HB2      PRO   7  -7.047   3.893   3.893
   55   2HB   PRO   7           HB1      PRO   7  -7.184   2.157   2.157
   56   1HG   PRO   7           HG2      PRO   7  -7.369   4.311   4.311
   57   2HG   PRO   7           HG1      PRO   7  -7.528   2.574   2.574
   58   1HD   PRO   7           HD2      PRO   7  -5.344   4.261   4.261
   59   2HD   PRO   7           HD1      PRO   7  -5.451   2.497   2.497
   60    H    LYS   8           HN       LYS   8  -4.818   5.430   5.430
   61    HA   LYS   8           HA       LYS   8  -4.702   6.201   6.201
   62   1HB   LYS   8           HB2      LYS   8  -3.415   8.232   8.232
   63   2HB   LYS   8           HB1      LYS   8  -5.051   7.944   7.944
   64   1HG   LYS   8           HG2      LYS   8  -4.273   6.993   6.993
   65   2HG   LYS   8           HG1      LYS   8  -2.637   6.791   6.791
   66   1HD   LYS   8           HD2      LYS   8  -2.420   9.271   9.271
   67   2HD   LYS   8           HD1      LYS   8  -4.017   9.424   9.424
   68   1HE   LYS   8           HE2      LYS   8  -3.246   8.272   8.272
   69   2HE   LYS   8           HE1      LYS   8  -1.669   7.988   7.988
   70   1HZ   LYS   8           HZ2      LYS   8  -2.045  10.669  10.669
   71   2HZ   LYS   8           HZ1      LYS   8  -2.686  10.340  10.340
   72   3HZ   LYS   8           HZ3      LYS   8  -1.085   9.912   9.912
   73    H    GLU   9           HN       GLU   9  -2.239   4.832   4.832
   74    HA   GLU   9           HA       GLU   9  -0.053   5.556   5.556
   75   1HB   GLU   9           HB2      GLU   9  -0.203   3.851   3.851
   76   2HB   GLU   9           HB1      GLU   9   1.273   4.014   4.014
   77   1HG   GLU   9           HG2      GLU   9  -0.260   6.402   6.402
   78   2HG   GLU   9           HG1      GLU   9   1.034   5.628   5.628
   79    H    LEU  10           HN       LEU  10  -2.273   2.920   2.920
   80    HA   LEU  10           HA       LEU  10  -0.680   0.998   0.998
   81   1HB   LEU  10           HB2      LEU  10  -3.572   0.946   0.946
   82   2HB   LEU  10           HB1      LEU  10  -2.739  -0.407  -0.407
   83    HG   LEU  10           HG       LEU  10  -1.865   0.927   0.927
   84   1HD1  LEU  10          HD13      LEU  10  -3.315  -1.697  -1.697
   85   2HD1  LEU  10          HD12      LEU  10  -2.720  -1.120  -1.120
   86   3HD1  LEU  10          HD11      LEU  10  -4.011  -0.252  -0.252
   87   1HD2  LEU  10          HD22      LEU  10  -0.825  -1.377  -1.377
   88   2HD2  LEU  10          HD21      LEU  10   0.074  -0.084  -0.084
   89   3HD2  LEU  10          HD23      LEU  10  -0.605  -1.394  -1.394
   90    H    ALA  11           HN       ALA  11  -2.979   3.490   3.490
   91    HA   ALA  11           HA       ALA  11  -4.064   2.574   2.574
   92   1HB   ALA  11           HB2      ALA  11  -5.018   4.453   4.453
   93   2HB   ALA  11           HB1      ALA  11  -3.576   5.413   5.413
   94   3HB   ALA  11           HB3      ALA  11  -4.645   4.937   4.937
   95    H    ASN  12           HN       ASN  12  -1.047   2.287   2.287
   96    HA   ASN  12           HA       ASN  12  -0.472   3.555   3.555
   97   1HB   ASN  12           HB2      ASN  12   1.404   3.819   3.819
   98   2HB   ASN  12           HB1      ASN  12   1.621   4.508   4.508
   99   1HD2  ASN  12          HD22      ASN  12  -0.886   7.061   7.061
  100   2HD2  ASN  12          HD21      ASN  12  -0.231   6.065   6.065
  101    H    LEU  13           HN       LEU  13  -0.210   0.867   0.867
  102    HA   LEU  13           HA       LEU  13   2.236  -0.194  -0.194
  103   1HB   LEU  13           HB2      LEU  13   0.092  -1.726  -1.726
  104   2HB   LEU  13           HB1      LEU  13   1.774  -2.199  -2.199
  105    HG   LEU  13           HG       LEU  13   0.706   0.102   0.102
  106   1HD1  LEU  13          HD13      LEU  13   0.824  -2.311  -2.311
  107   2HD1  LEU  13          HD12      LEU  13   2.575  -2.134  -2.134
  108   3HD1  LEU  13          HD11      LEU  13   1.628  -1.074  -1.074
  109   1HD2  LEU  13          HD23      LEU  13   3.502  -0.494  -0.494
  110   2HD2  LEU  13          HD22      LEU  13   2.637   1.042   1.042
  111   3HD2  LEU  13          HD21      LEU  13   3.235   0.390   0.390
  112    HA   PRO  14           HA       PRO  14   0.393  -1.717  -1.717
  113   1HB   PRO  14           HB2      PRO  14   1.800  -4.223  -4.223
  114   2HB   PRO  14           HB1      PRO  14   2.222  -2.717  -2.717
  115   1HG   PRO  14           HG2      PRO  14   3.500  -3.926  -3.926
  116   2HG   PRO  14           HG1      PRO  14   4.065  -2.572  -2.572
  117   1HD   PRO  14           HD2      PRO  14   3.006  -2.394  -2.394
  118   2HD   PRO  14           HD1      PRO  14   3.314  -1.041  -1.041
  119    H    GLY  15           HN       GLY  15   1.006  -4.626  -4.626
  120   1HA   GLY  15           HA2      GLY  15  -1.163  -6.169  -6.169
  121   2HA   GLY  15           HA1      GLY  15  -0.516  -6.173  -6.173
  122    H    LEU  16           HN       LEU  16  -1.207  -3.421  -3.421
  123    HA   LEU  16           HA       LEU  16  -4.099  -3.824  -3.824
  124   1HB   LEU  16           HB2      LEU  16  -2.323  -1.600  -1.600
  125   2HB   LEU  16           HB1      LEU  16  -3.849  -2.153  -2.153
  126    HG   LEU  16           HG       LEU  16  -1.279  -3.758  -3.758
  127   1HD1  LEU  16          HD11      LEU  16  -1.438  -1.854  -1.854
  128   2HD1  LEU  16          HD13      LEU  16  -2.786  -2.714  -2.714
  129   3HD1  LEU  16          HD12      LEU  16  -1.182  -3.447  -3.447
  130   1HD2  LEU  16          HD21      LEU  16  -4.090  -4.411  -4.411
  131   2HD2  LEU  16          HD23      LEU  16  -3.041  -5.339  -5.339
  132   3HD2  LEU  16          HD22      LEU  16  -2.695  -5.271  -5.271
  133    HA   PRO  17           HA       PRO  17  -5.363  -0.966  -0.966
  134   1HB   PRO  17           HB2      PRO  17  -7.269   0.475   0.475
  135   2HB   PRO  17           HB1      PRO  17  -7.602  -0.765  -0.765
  136   1HG   PRO  17           HG2      PRO  17  -7.696  -1.028  -1.028
  137   2HG   PRO  17           HG1      PRO  17  -8.162  -2.220  -2.220
  138   1HD   PRO  17           HD2      PRO  17  -5.862  -2.331  -2.331
  139   2HD   PRO  17           HD1      PRO  17  -6.217  -3.390  -3.390
  140    H    LYS  18           HN       LYS  18  -5.717   1.583   1.583
  141    HA   LYS  18           HA       LYS  18  -3.433   2.845   2.845
  142   1HB   LYS  18           HB2      LYS  18  -5.011   4.047   4.047
  143   2HB   LYS  18           HB1      LYS  18  -3.361   4.415   4.415
  144   1HG   LYS  18           HG2      LYS  18  -2.812   1.971   1.971
  145   2HG   LYS  18           HG1      LYS  18  -4.373   1.929   1.929
  146   1HD   LYS  18           HD2      LYS  18  -3.687   3.839   3.839
  147   2HD   LYS  18           HD1      LYS  18  -2.124   3.877   3.877
  148   1HE   LYS  18           HE2      LYS  18  -3.151   1.401   1.401
  149   2HE   LYS  18           HE1      LYS  18  -2.198   2.627   2.627
  150   1HZ   LYS  18           HZ3      LYS  18  -1.355   1.174   1.174
  151   2HZ   LYS  18           HZ2      LYS  18  -0.814   0.839   0.839
  152   3HZ   LYS  18           HZ1      LYS  18  -0.436   2.324   2.324
  153    H    THR  19           HN       THR  19  -6.569   2.467   2.467
  154    HA   THR  19           HA       THR  19  -6.815   5.191   5.191
  155    HB   THR  19           HB       THR  19  -9.063   5.395   5.395
  156    HG1  THR  19           HG1      THR  19  -9.942   3.391   3.391
  157   1HG2  THR  19          HG21      THR  19  -7.419   5.586   5.586
  158   2HG2  THR  19          HG23      THR  19  -7.793   3.914   3.914
  159   3HG2  THR  19          HG22      THR  19  -9.050   5.148   5.148
  160    H    SER  20           HN       SER  20  -7.220   5.076   5.076
  161    HA   SER  20           HA       SER  20  -7.176   2.687   2.687
  162   1HB   SER  20           HB2      SER  20  -8.364   4.120   4.120
  163   2HB   SER  20           HB1      SER  20  -6.804   4.686   4.686
  164    HG   SER  20           HG       SER  20  -9.384   5.534   5.534
  165    H    ALA  21           HN       ALA  21  -9.883   4.308   4.308
  166    HA   ALA  21           HA       ALA  21 -12.048   3.058   3.058
  167   1HB   ALA  21           HB2      ALA  21 -12.313   4.817   4.817
  168   2HB   ALA  21           HB1      ALA  21 -11.785   3.676   3.676
  169   3HB   ALA  21           HB3      ALA  21 -13.299   3.403   3.403
  170    H    GLY  22           HN       GLY  22  -9.947   1.831   1.831
  171   1HA   GLY  22           HA2      GLY  22 -11.448  -0.660  -0.660
  172   2HA   GLY  22           HA1      GLY  22  -9.889  -0.308  -0.308
  173    H    VAL  23           HN       VAL  23  -8.567   0.440   0.440
  174    HA   VAL  23           HA       VAL  23  -7.683  -2.160  -2.160
  175    HB   VAL  23           HB       VAL  23  -7.334   0.477   0.477
  176   1HG1  VAL  23          HG11      VAL  23  -5.716  -2.091  -2.091
  177   2HG1  VAL  23          HG13      VAL  23  -5.291  -0.622  -0.622
  178   3HG1  VAL  23          HG12      VAL  23  -6.736  -1.526  -1.526
  179   1HG2  VAL  23          HG21      VAL  23  -5.640  -0.810  -0.810
  180   2HG2  VAL  23          HG23      VAL  23  -6.616   0.646   0.646
  181   3HG2  VAL  23          HG22      VAL  23  -5.222   0.655   0.655
  182    H    ILE  24           HN       ILE  24  -9.563   0.337   0.337
  183    HA   ILE  24           HA       ILE  24 -10.125  -1.271  -1.271
  184    HB   ILE  24           HB       ILE  24 -11.862   0.908   0.908
  185   1HG1  ILE  24          HG12      ILE  24  -9.515   0.969   0.969
  186   2HG1  ILE  24          HG11      ILE  24  -9.618   1.744   1.744
  187   1HG2  ILE  24          HG21      ILE  24 -12.903  -0.566  -0.566
  188   2HG2  ILE  24          HG23      ILE  24 -11.637   0.001   0.001
  189   3HG2  ILE  24          HG22      ILE  24 -12.802   1.140   1.140
  190   1HD1  ILE  24          HD13      ILE  24 -11.652   3.017   3.017
  191   2HD1  ILE  24          HD12      ILE  24 -11.019   2.497   2.497
  192   3HD1  ILE  24          HD11      ILE  24 -10.036   3.509   3.509
  193    H    TYR  25           HN       TYR  25 -11.954  -0.863  -0.863
  194    HA   TYR  25           HA       TYR  25 -14.124  -2.574  -2.574
  195   1HB   TYR  25           HB2      TYR  25 -14.243  -1.152  -1.152
  196   2HB   TYR  25           HB1      TYR  25 -12.895  -2.022  -2.022
  197    HD1  TYR  25           HD1      TYR  25 -16.458  -2.211  -2.211
  198    HD2  TYR  25           HD2      TYR  25 -13.173  -4.270  -4.270
  199    HE1  TYR  25           HE1      TYR  25 -18.041  -3.894  -3.894
  200    HE2  TYR  25           HE2      TYR  25 -14.755  -5.952  -5.952
  201    HH   TYR  25           HH       TYR  25 -17.804  -6.413  -6.413
  202    H    VAL  26           HN       VAL  26 -10.995  -3.247  -3.247
  203    HA   VAL  26           HA       VAL  26 -11.508  -6.102  -6.102
  204    HB   VAL  26           HB       VAL  26  -8.974  -4.444  -4.444
  205   1HG1  VAL  26          HG11      VAL  26  -9.439  -7.411  -7.411
  206   2HG1  VAL  26          HG13      VAL  26  -8.066  -6.575  -6.575
  207   3HG1  VAL  26          HG12      VAL  26  -8.247  -6.619  -6.619
  208   1HG2  VAL  26          HG21      VAL  26 -10.830  -4.267  -4.267
  209   2HG2  VAL  26          HG23      VAL  26  -9.226  -4.692  -4.692
  210   3HG2  VAL  26          HG22      VAL  26 -10.457  -5.941  -5.941
  211    H    ALA  27           HN       ALA  27 -10.360  -3.983  -3.983
  212    HA   ALA  27           HA       ALA  27  -8.807  -5.798  -5.798
  213   1HB   ALA  27           HB1      ALA  27  -9.065  -3.326  -3.326
  214   2HB   ALA  27           HB3      ALA  27 -10.668  -3.668  -3.668
  215   3HB   ALA  27           HB2      ALA  27  -9.238  -4.335  -4.335
  216    H    LYS  28           HN       LYS  28 -12.270  -5.428  -5.428
  217    HA   LYS  28           HA       LYS  28 -13.013  -7.123  -7.123
  218   1HB   LYS  28           HB2      LYS  28 -14.557  -6.456  -6.456
  219   2HB   LYS  28           HB1      LYS  28 -15.236  -7.143  -7.143
  220   1HG   LYS  28           HG2      LYS  28 -14.850  -5.160  -5.160
  221   2HG   LYS  28           HG1      LYS  28 -13.725  -4.527  -4.527
  222   1HD   LYS  28           HD2      LYS  28 -15.885  -3.368  -3.368
  223   2HD   LYS  28           HD1      LYS  28 -15.578  -4.310  -4.310
  224   1HE   LYS  28           HE2      LYS  28 -17.926  -4.512  -4.512
  225   2HE   LYS  28           HE1      LYS  28 -17.087  -6.031  -6.031
  226   1HZ   LYS  28           HZ1      LYS  28 -16.621  -4.877  -4.877
  227   2HZ   LYS  28           HZ3      LYS  28 -18.214  -5.389  -5.389
  228   3HZ   LYS  28           HZ2      LYS  28 -16.929  -6.489  -6.489
  229    H    LYS  29           HN       LYS  29 -12.092  -7.645  -7.645
  230    HA   LYS  29           HA       LYS  29 -13.053 -10.335 -10.335
  231   1HB   LYS  29           HB2      LYS  29 -12.145  -8.728  -8.728
  232   2HB   LYS  29           HB1      LYS  29 -10.550  -9.309  -9.309
  233   1HG   LYS  29           HG2      LYS  29 -11.281 -11.637 -11.637
  234   2HG   LYS  29           HG1      LYS  29 -12.861 -11.041 -11.041
  235   1HD   LYS  29           HD2      LYS  29 -11.626  -9.625  -9.625
  236   2HD   LYS  29           HD1      LYS  29 -10.190 -10.574 -10.574
  237   1HE   LYS  29           HE2      LYS  29 -11.222 -11.645 -11.645
  238   2HE   LYS  29           HE1      LYS  29 -11.573 -12.652 -12.652
  239   1HZ   LYS  29           HZ3      LYS  29 -13.494 -10.550 -10.550
  240   2HZ   LYS  29           HZ2      LYS  29 -13.426 -11.771 -11.771
  241   3HZ   LYS  29           HZ1      LYS  29 -13.747 -12.169 -12.169
  242    H    GLN  30           HN       GLN  30 -10.844  -9.096  -9.096
  243    HA   GLN  30           HA       GLN  30  -9.740 -11.782 -11.782
  244   1HB   GLN  30           HB2      GLN  30  -7.995  -9.353  -9.353
  245   2HB   GLN  30           HB1      GLN  30  -7.419 -10.879 -10.879
  246   1HG   GLN  30           HG2      GLN  30  -8.361 -12.015 -12.015
  247   2HG   GLN  30           HG1      GLN  30  -8.595 -10.402 -10.402
  248   1HE2  GLN  30          HE22      GLN  30  -5.134  -9.858  -9.858
  249   2HE2  GLN  30          HE21      GLN  30  -6.666  -9.133  -9.133
  250    H    GLY  31           HN       GLY  31  -9.204  -8.364  -8.364
  251   1HA   GLY  31           HA2      GLY  31  -9.909  -7.372  -7.372
  252   2HA   GLY  31           HA1      GLY  31 -10.227  -8.981  -8.981
  253    H    TRP  32           HN       TRP  32  -7.289  -7.543  -7.543
  254    HA   TRP  32           HA       TRP  32  -5.410  -8.876  -8.876
  255   1HB   TRP  32           HB2      TRP  32  -5.161  -5.967  -5.967
  256   2HB   TRP  32           HB1      TRP  32  -3.854  -7.108  -7.108
  257    HD1  TRP  32           HD1      TRP  32  -4.398  -9.510  -9.510
  258    HE1  TRP  32           HE1      TRP  32  -4.646  -9.439  -9.439
  259    HE3  TRP  32           HE3      TRP  32  -5.595  -4.579  -4.579
  260    HZ2  TRP  32           HZ2      TRP  32  -5.261  -7.532  -7.532
  261    HZ3  TRP  32           HZ3      TRP  32  -5.999  -3.654  -3.654
  262    HH2  TRP  32           HH2      TRP  32  -5.830  -5.123  -5.123
  263    H    GLN  33           HN       GLN  33  -4.631  -8.608  -8.608
  264    HA   GLN  33           HA       GLN  33  -6.225  -7.557  -7.557
  265   1HB   GLN  33           HB2      GLN  33  -4.253  -8.996  -8.996
  266   2HB   GLN  33           HB1      GLN  33  -3.193  -7.657  -7.657
  267   1HG   GLN  33           HG2      GLN  33  -4.004  -6.329  -6.329
  268   2HG   GLN  33           HG1      GLN  33  -5.215  -7.550  -7.550
  269   1HE2  GLN  33          HE22      GLN  33  -1.287  -8.598  -8.598
  270   2HE2  GLN  33          HE21      GLN  33  -1.666  -7.669  -7.669
  271    H    ASN  34           HN       ASN  34  -7.073  -5.502  -5.502
  272    HA   ASN  34           HA       ASN  34  -5.159  -3.250  -3.250
  273   1HB   ASN  34           HB2      ASN  34  -7.377  -1.974  -1.974
  274   2HB   ASN  34           HB1      ASN  34  -6.922  -3.158  -3.158
  275   1HD2  ASN  34          HD22      ASN  34  -9.896  -4.964  -4.964
  276   2HD2  ASN  34          HD21      ASN  34  -8.634  -4.490  -4.490
  277    H    ARG  35           HN       ARG  35  -4.556  -2.142  -2.142
  278    HA   ARG  35           HA       ARG  35  -6.131  -2.380  -2.380
  279   1HB   ARG  35           HB2      ARG  35  -3.613  -2.478  -2.478
  280   2HB   ARG  35           HB1      ARG  35  -3.605  -0.781  -0.781
  281   1HG   ARG  35           HG2      ARG  35  -4.973  -0.277  -0.277
  282   2HG   ARG  35           HG1      ARG  35  -4.740  -1.951  -1.951
  283   1HD   ARG  35           HD2      ARG  35  -2.143  -1.143  -1.143
  284   2HD   ARG  35           HD1      ARG  35  -2.843   0.317   0.317
  285    HE   ARG  35           HE       ARG  35  -1.970  -1.883  -1.883
  286   1HH1  ARG  35          HH21      ARG  35  -4.912  -0.119  -0.119
  287   2HH1  ARG  35          HH22      ARG  35  -5.546  -0.569  -0.569
  288   1HH2  ARG  35          HH11      ARG  35  -2.785  -2.459  -2.459
  289   2HH2  ARG  35          HH12      ARG  35  -4.344  -1.885  -1.885
  290    H    THR  36           HN       THR  36  -7.587  -0.841  -0.841
  291    HA   THR  36           HA       THR  36  -7.829   1.613   1.613
  292    HB   THR  36           HB       THR  36  -9.867   1.768   1.768
  293    HG1  THR  36           HG1      THR  36 -10.011  -0.906  -0.906
  294   1HG2  THR  36          HG22      THR  36  -9.788   0.248   0.248
  295   2HG2  THR  36          HG21      THR  36 -11.276   0.640   0.640
  296   3HG2  THR  36          HG23      THR  36 -10.249   1.933   1.933
  297    H    ARG  37           HN       ARG  37  -7.848   3.716   3.716
  298    HA   ARG  37           HA       ARG  37  -6.925   3.962   3.962
  299   1HB   ARG  37           HB2      ARG  37  -4.842   3.738   3.738
  300   2HB   ARG  37           HB1      ARG  37  -5.359   5.053   5.053
  301   1HG   ARG  37           HG2      ARG  37  -3.773   5.862   5.862
  302   2HG   ARG  37           HG1      ARG  37  -5.354   6.605   6.605
  303   1HD   ARG  37           HD2      ARG  37  -5.817   5.373   5.373
  304   2HD   ARG  37           HD1      ARG  37  -4.711   4.070   4.070
  305    HE   ARG  37           HE       ARG  37  -3.049   6.256   6.256
  306   1HH1  ARG  37          HH21      ARG  37  -5.506   4.651   4.651
  307   2HH1  ARG  37          HH22      ARG  37  -4.809   5.030   5.030
  308   1HH2  ARG  37          HH11      ARG  37  -2.122   6.761   6.761
  309   2HH2  ARG  37          HH12      ARG  37  -2.892   6.225   6.225
  310    H    ALA  38           HN       ALA  38  -9.054   4.951   4.951
  311    HA   ALA  38           HA       ALA  38  -9.730   7.297   7.297
  312   1HB   ALA  38           HB3      ALA  38 -11.394   5.739   5.739
  313   2HB   ALA  38           HB2      ALA  38 -10.923   6.471   6.471
  314   3HB   ALA  38           HB1      ALA  38 -11.674   7.458   7.458
  315    H    GLY  39           HN       GLY  39  -7.261   7.908   7.908
  316   1HA   GLY  39           HA2      GLY  39  -7.736  10.067  10.067
  317   2HA   GLY  39           HA1      GLY  39  -6.404   8.945   8.945
  318    H    VAL  40           HN       VAL  40  -6.673   9.225   9.225
  319    HA   VAL  40           HA       VAL  40  -4.417  11.155  11.155
  320    HB   VAL  40           HB       VAL  40  -4.664  10.360  10.360
  321   1HG1  VAL  40          HG11      VAL  40  -3.461   8.741   8.741
  322   2HG1  VAL  40          HG13      VAL  40  -3.114   8.471   8.471
  323   3HG1  VAL  40          HG12      VAL  40  -2.659   9.995   9.995
  324   1HG2  VAL  40          HG22      VAL  40  -6.773   9.044   9.044
  325   2HG2  VAL  40          HG21      VAL  40  -5.597   8.201   8.201
  326   3HG2  VAL  40          HG23      VAL  40  -5.635   7.915   7.915
  327    H    LYS  41           HN       LYS  41  -6.892  10.682  10.682
  328    HA   LYS  41           HA       LYS  41  -7.160  13.582  13.582
  329   1HB   LYS  41           HB2      LYS  41  -7.213  11.984  11.984
  330   2HB   LYS  41           HB1      LYS  41  -8.759  11.382  11.382
  331   1HG   LYS  41           HG2      LYS  41  -9.790  13.546  13.546
  332   2HG   LYS  41           HG1      LYS  41  -8.237  14.296  14.296
  333   1HD   LYS  41           HD2      LYS  41  -8.053  12.856  12.856
  334   2HD   LYS  41           HD1      LYS  41  -9.653  12.200  12.200
  335   1HE   LYS  41           HE2      LYS  41 -10.716  14.283  14.283
  336   2HE   LYS  41           HE1      LYS  41  -9.196  15.172  15.172
  337   1HZ   LYS  41           HZ1      LYS  41  -8.468  14.007  14.007
  338   2HZ   LYS  41           HZ3      LYS  41  -9.987  13.262  13.262
  339   3HZ   LYS  41           HZ2      LYS  41  -9.857  14.949  14.949
  340    H    GLY  42           HN       GLY  42  -9.756  11.152  11.152
  341   1HA   GLY  42           HA2      GLY  42 -10.988  11.643  11.643
  342   2HA   GLY  42           HA1      GLY  42 -11.435  13.084  13.084
  343    H    GLY  43           HN       GLY  43 -11.474   9.515   9.515
  344   1HA   GLY  43           HA2      GLY  43 -14.158   9.140   9.140
  345   2HA   GLY  43           HA1      GLY  43 -13.531   9.597   9.597
  346    H    LYS  44           HN       LYS  44 -12.071   7.593   7.593
  347    HA   LYS  44           HA       LYS  44 -11.107   5.461   5.461
  348   1HB   LYS  44           HB2      LYS  44 -13.568   5.146   5.146
  349   2HB   LYS  44           HB1      LYS  44 -12.520   3.797   3.797
  350   1HG   LYS  44           HG2      LYS  44 -12.870   4.400   4.400
  351   2HG   LYS  44           HG1      LYS  44 -14.059   5.593   5.593
  352   1HD   LYS  44           HD2      LYS  44 -14.305   2.716   2.716
  353   2HD   LYS  44           HD1      LYS  44 -14.885   3.212   3.212
  354   1HE   LYS  44           HE2      LYS  44 -15.745   4.418   4.418
  355   2HE   LYS  44           HE1      LYS  44 -16.701   3.321   3.321
  356   1HZ   LYS  44           HZ1      LYS  44 -15.763   5.474   5.474
  357   2HZ   LYS  44           HZ3      LYS  44 -16.561   6.079   6.079
  358   3HZ   LYS  44           HZ2      LYS  44 -17.365   5.007   5.007
  359    H    ALA  45           HN       ALA  45  -9.166   5.836   5.836
  360    HA   ALA  45           HA       ALA  45  -9.081   6.047   6.047
  361   1HB   ALA  45           HB2      ALA  45  -6.997   6.233   6.233
  362   2HB   ALA  45           HB1      ALA  45  -6.563   6.201   6.201
  363   3HB   ALA  45           HB3      ALA  45  -7.561   7.511   7.511
  364    H    ILE  46           HN       ILE  46  -8.731   4.291   4.291
  365    HA   ILE  46           HA       ILE  46  -8.233   1.676   1.676
  366    HB   ILE  46           HB       ILE  46  -8.702   2.413   2.413
  367   1HG1  ILE  46          HG12      ILE  46 -10.585   1.348   1.348
  368   2HG1  ILE  46          HG11      ILE  46 -10.599   2.984   2.984
  369   1HG2  ILE  46          HG21      ILE  46  -7.549   0.219   0.219
  370   2HG2  ILE  46          HG23      ILE  46  -8.868  -0.279  -0.279
  371   3HG2  ILE  46          HG22      ILE  46  -9.169   0.029   0.029
  372   1HD1  ILE  46          HD13      ILE  46 -10.828   1.735   1.735
  373   2HD1  ILE  46          HD12      ILE  46 -11.416   0.408   0.408
  374   3HD1  ILE  46          HD11      ILE  46 -12.247   1.962   1.962
  375    H    GLU  47           HN       GLU  47  -6.465   0.324   0.324
  376    HA   GLU  47           HA       GLU  47  -4.204   1.544   1.544
  377   1HB   GLU  47           HB2      GLU  47  -4.166   0.554   0.554
  378   2HB   GLU  47           HB1      GLU  47  -2.702   0.554   0.554
  379   1HG   GLU  47           HG2      GLU  47  -2.975   2.974   2.974
  380   2HG   GLU  47           HG1      GLU  47  -4.439   2.973   2.973
  381    H    TYR  48           HN       TYR  48  -2.477  -0.239  -0.239
  382    HA   TYR  48           HA       TYR  48  -3.708  -2.967  -2.967
  383   1HB   TYR  48           HB2      TYR  48  -2.276  -1.565  -1.565
  384   2HB   TYR  48           HB1      TYR  48  -2.829  -3.241  -3.241
  385    HD1  TYR  48           HD2      TYR  48  -5.360  -3.642  -3.642
  386    HD2  TYR  48           HD1      TYR  48  -3.733   0.144   0.144
  387    HE1  TYR  48           HE2      TYR  48  -7.629  -2.901  -2.901
  388    HE2  TYR  48           HE1      TYR  48  -6.002   0.884   0.884
  389    HH   TYR  48           HH       TYR  48  -8.476   0.195   0.195
  390    H    ASN  49           HN       ASN  49  -2.309  -4.495  -4.495
  391    HA   ASN  49           HA       ASN  49   0.368  -3.705  -3.705
  392   1HB   ASN  49           HB2      ASN  49  -0.854  -5.314  -5.314
  393   2HB   ASN  49           HB1      ASN  49  -1.041  -6.391  -6.391
  394   1HD2  ASN  49          HD22      ASN  49   1.831  -7.850  -7.850
  395   2HD2  ASN  49          HD21      ASN  49   0.136  -7.827  -7.827
  396    H    ALA  50           HN       ALA  50   2.095  -3.680  -3.680
  397    HA   ALA  50           HA       ALA  50   2.073  -4.479  -4.479
  398   1HB   ALA  50           HB3      ALA  50   4.445  -4.308  -4.308
  399   2HB   ALA  50           HB2      ALA  50   4.545  -4.353  -4.353
  400   3HB   ALA  50           HB1      ALA  50   3.784  -2.981  -2.981
  401    H    ASN  51           HN       ASN  51   2.825  -6.364  -6.364
  402    HA   ASN  51           HA       ASN  51   3.957  -8.614  -8.614
  403   1HB   ASN  51           HB2      ASN  51   2.556  -8.707  -8.707
  404   2HB   ASN  51           HB1      ASN  51   3.829  -9.776  -9.776
  405   1HD2  ASN  51          HD22      ASN  51   5.035  -6.741  -6.741
  406   2HD2  ASN  51          HD21      ASN  51   3.571  -7.588  -7.588
  407    H    SER  52           HN       SER  52   0.740  -7.480  -7.480
  408    HA   SER  52           HA       SER  52  -0.489 -10.117 -10.117
  409   1HB   SER  52           HB2      SER  52  -1.735  -7.372  -7.372
  410   2HB   SER  52           HB1      SER  52  -2.616  -8.894  -8.894
  411    HG   SER  52           HG       SER  52  -1.185  -9.495  -9.495
  412    H    LEU  53           HN       LEU  53   0.483  -7.266  -7.266
  413    HA   LEU  53           HA       LEU  53  -1.255  -7.583  -7.583
  414   1HB   LEU  53           HB2      LEU  53   1.529  -6.383  -6.383
  415   2HB   LEU  53           HB1      LEU  53   0.327  -6.102  -6.102
  416    HG   LEU  53           HG       LEU  53   0.050  -5.343  -5.343
  417   1HD1  LEU  53          HD13      LEU  53   1.640  -3.986  -3.986
  418   2HD1  LEU  53          HD12      LEU  53   0.262  -3.574  -3.574
  419   3HD1  LEU  53          HD11      LEU  53   0.290  -3.068  -3.068
  420   1HD2  LEU  53          HD22      LEU  53  -1.839  -5.252  -5.252
  421   2HD2  LEU  53          HD21      LEU  53  -2.161  -5.742  -5.742
  422   3HD2  LEU  53          HD23      LEU  53  -1.966  -4.036  -4.036
  423    HA   PRO  54           HA       PRO  54   0.531 -11.166 -11.166
  424   1HB   PRO  54           HB2      PRO  54   0.451 -10.145 -10.145
  425   2HB   PRO  54           HB1      PRO  54  -0.688 -11.259 -11.259
  426   1HG   PRO  54           HG2      PRO  54  -1.072  -8.430  -8.430
  427   2HG   PRO  54           HG1      PRO  54  -2.261  -9.592  -9.592
  428   1HD   PRO  54           HD2      PRO  54  -1.075  -7.457  -7.457
  429   2HD   PRO  54           HD1      PRO  54  -2.088  -8.762  -8.762
  430    H    VAL  55           HN       VAL  55   2.227 -11.291 -11.291
  431    HA   VAL  55           HA       VAL  55   4.652  -9.984  -9.984
  432    HB   VAL  55           HB       VAL  55   4.366 -11.853 -11.853
  433   1HG1  VAL  55          HG12      VAL  55   6.714 -11.008 -11.008
  434   2HG1  VAL  55          HG11      VAL  55   6.778 -12.296 -12.296
  435   3HG1  VAL  55          HG13      VAL  55   6.472 -10.633 -10.633
  436   1HG2  VAL  55          HG21      VAL  55   4.942 -12.444 -12.444
  437   2HG2  VAL  55          HG23      VAL  55   3.500 -12.926 -12.926
  438   3HG2  VAL  55          HG22      VAL  55   5.067 -13.619 -13.619
  439    H    GLU  56           HN       GLU  56   2.650  -9.945  -9.945
  440    HA   GLU  56           HA       GLU  56   4.317  -8.300  -8.300
  441   1HB   GLU  56           HB2      GLU  56   1.286  -8.403  -8.403
  442   2HB   GLU  56           HB1      GLU  56   2.243  -7.716  -7.716
  443   1HG   GLU  56           HG2      GLU  56   3.326  -9.934  -9.934
  444   2HG   GLU  56           HG1      GLU  56   2.278 -10.606 -10.606
  445    H    ALA  57           HN       ALA  57   1.914  -7.452  -7.452
  446    HA   ALA  57           HA       ALA  57   2.279  -4.579  -4.579
  447   1HB   ALA  57           HB1      ALA  57   0.786  -6.207  -6.207
  448   2HB   ALA  57           HB3      ALA  57   0.922  -4.454  -4.454
  449   3HB   ALA  57           HB2      ALA  57   0.123  -5.180  -5.180
  450    H    LYS  58           HN       LYS  58   3.424  -7.014  -7.014
  451    HA   LYS  58           HA       LYS  58   4.671  -5.214  -5.214
  452   1HB   LYS  58           HB2      LYS  58   4.308  -7.675  -7.675
  453   2HB   LYS  58           HB1      LYS  58   5.632  -7.993  -7.993
  454   1HG   LYS  58           HG2      LYS  58   7.132  -6.607  -6.607
  455   2HG   LYS  58           HG1      LYS  58   5.810  -6.410  -6.410
  456   1HD   LYS  58           HD2      LYS  58   6.969  -9.080  -9.080
  457   2HD   LYS  58           HD1      LYS  58   7.369  -8.248  -8.248
  458   1HE   LYS  58           HE2      LYS  58   4.761  -8.236  -8.236
  459   2HE   LYS  58           HE1      LYS  58   4.781  -9.551  -9.551
  460   1HZ   LYS  58           HZ3      LYS  58   6.445  -9.476  -9.476
  461   2HZ   LYS  58           HZ2      LYS  58   4.968 -10.306 -10.306
  462   3HZ   LYS  58           HZ1      LYS  58   6.296 -10.769 -10.769
  463    H    ALA  59           HN       ALA  59   6.301  -7.195  -7.195
  464    HA   ALA  59           HA       ALA  59   8.791  -5.935  -5.935
  465   1HB   ALA  59           HB1      ALA  59   8.282  -7.913  -7.913
  466   2HB   ALA  59           HB3      ALA  59   7.311  -6.901  -6.901
  467   3HB   ALA  59           HB2      ALA  59   9.051  -6.641  -6.641
  468    H    ALA  60           HN       ALA  60   5.889  -4.929  -4.929
  469    HA   ALA  60           HA       ALA  60   7.132  -2.644  -2.644
  470   1HB   ALA  60           HB3      ALA  60   4.982  -3.680  -3.680
  471   2HB   ALA  60           HB2      ALA  60   4.201  -3.034  -3.034
  472   3HB   ALA  60           HB1      ALA  60   4.865  -1.936  -1.936
  473    H    LEU  61           HN       LEU  61   5.488  -3.161  -3.161
  474    HA   LEU  61           HA       LEU  61   5.234  -0.406  -0.406
  475   1HB   LEU  61           HB2      LEU  61   4.097  -2.334  -2.334
  476   2HB   LEU  61           HB1      LEU  61   5.658  -2.774  -2.774
  477    HG   LEU  61           HG       LEU  61   5.697  -0.271  -0.271
  478   1HD1  LEU  61          HD13      LEU  61   2.738  -0.760  -0.760
  479   2HD1  LEU  61          HD12      LEU  61   3.399   0.544   0.544
  480   3HD1  LEU  61          HD11      LEU  61   3.718   0.502   0.502
  481   1HD2  LEU  61          HD22      LEU  61   5.570  -2.262  -2.262
  482   2HD2  LEU  61          HD21      LEU  61   4.550  -0.957  -0.957
  483   3HD2  LEU  61          HD23      LEU  61   3.824  -2.324  -2.324
  484    H    LEU  62           HN       LEU  62   7.657  -2.789  -2.789
  485    HA   LEU  62           HA       LEU  62   9.388  -1.018  -1.018
  486   1HB   LEU  62           HB2      LEU  62  10.399  -3.276  -3.276
  487   2HB   LEU  62           HB1      LEU  62  11.103  -2.658  -2.658
  488    HG   LEU  62           HG       LEU  62   8.502  -4.185  -4.185
  489   1HD1  LEU  62          HD12      LEU  62  11.105  -4.772  -4.772
  490   2HD1  LEU  62          HD11      LEU  62   9.660  -5.780  -5.780
  491   3HD1  LEU  62          HD13      LEU  62  10.515  -5.577  -5.577
  492   1HD2  LEU  62          HD23      LEU  62   9.689  -2.660  -2.660
  493   2HD2  LEU  62          HD22      LEU  62   8.052  -2.561  -2.561
  494   3HD2  LEU  62          HD21      LEU  62   8.559  -3.991  -3.991
  495    H    LEU  63           HN       LEU  63   8.830  -1.395  -1.395
  496    HA   LEU  63           HA       LEU  63  11.253  -0.123  -0.123
  497   1HB   LEU  63           HB2      LEU  63   9.547  -1.523  -1.523
  498   2HB   LEU  63           HB1      LEU  63   8.620  -0.030  -0.030
  499    HG   LEU  63           HG       LEU  63  10.922   1.010   1.010
  500   1HD1  LEU  63          HD12      LEU  63  11.271  -1.946  -1.946
  501   2HD1  LEU  63          HD11      LEU  63  12.224  -0.662  -0.662
  502   3HD1  LEU  63          HD13      LEU  63  12.325  -0.945  -0.945
  503   1HD2  LEU  63          HD22      LEU  63   9.202  -0.807  -0.807
  504   2HD2  LEU  63          HD21      LEU  63   8.954   0.914   0.914
  505   3HD2  LEU  63          HD23      LEU  63  10.350   0.369   0.369
  506    H    ARG  64           HN       ARG  64   7.909   1.147   1.147
  507    HA   ARG  64           HA       ARG  64   8.806   3.875   3.875
  508   1HB   ARG  64           HB2      ARG  64   6.461   4.463   4.463
  509   2HB   ARG  64           HB1      ARG  64   6.551   3.300   3.300
  510   1HG   ARG  64           HG2      ARG  64   5.945   1.486   1.486
  511   2HG   ARG  64           HG1      ARG  64   6.334   2.364   2.364
  512   1HD   ARG  64           HD2      ARG  64   4.031   2.961   2.961
  513   2HD   ARG  64           HD1      ARG  64   3.905   2.255   2.255
  514    HE   ARG  64           HE       ARG  64   5.210   4.640   4.640
  515   1HH1  ARG  64          HH21      ARG  64   2.349   3.654   3.654
  516   2HH1  ARG  64          HH22      ARG  64   1.500   5.132   5.132
  517   1HH2  ARG  64          HH11      ARG  64   4.121   6.577   6.577
  518   2HH2  ARG  64          HH12      ARG  64   2.503   6.786   6.786
  519    H    GLN  65           HN       GLN  65   9.504   1.995   1.995
  520    HA   GLN  65           HA       GLN  65   8.793   3.887   3.887
  521   1HB   GLN  65           HB2      GLN  65  10.155   1.194   1.194
  522   2HB   GLN  65           HB1      GLN  65  10.206   2.173   2.173
  523   1HG   GLN  65           HG2      GLN  65   7.613   1.517   1.517
  524   2HG   GLN  65           HG1      GLN  65   8.291   0.483   0.483
  525   1HE2  GLN  65          HE22      GLN  65   6.501   3.992   3.992
  526   2HE2  GLN  65          HE21      GLN  65   6.673   3.541   3.541
  527    H    GLY  66           HN       GLY  66  11.298   3.469   3.469
  528   1HA   GLY  66           HA2      GLY  66  13.657   4.093   4.093
  529   2HA   GLY  66           HA1      GLY  66  13.293   4.693   4.693
  530    H    GLU  67           HN       GLU  67  13.969   5.664   5.664
  531    HA   GLU  67           HA       GLU  67  13.837   7.738   7.738
  532   1HB   GLU  67           HB2      GLU  67  14.871   8.362   8.362
  533   2HB   GLU  67           HB1      GLU  67  13.255   8.893   8.893
  534   1HG   GLU  67           HG2      GLU  67  13.225  10.350  10.350
  535   2HG   GLU  67           HG1      GLU  67  14.922   9.933   9.933
  536    H    ILE  68           HN       ILE  68  11.898   7.387   7.387
  537    HA   ILE  68           HA       ILE  68   9.309   7.913   7.913
  538    HB   ILE  68           HB       ILE  68   9.891   7.431   7.431
  539   1HG1  ILE  68          HG12      ILE  68   9.253   5.439   5.439
  540   2HG1  ILE  68          HG11      ILE  68  10.814   5.609   5.609
  541   1HG2  ILE  68          HG22      ILE  68   7.624   8.351   8.351
  542   2HG2  ILE  68          HG21      ILE  68   7.394   6.819   6.819
  543   3HG2  ILE  68          HG23      ILE  68   7.579   6.844   6.844
  544   1HD1  ILE  68          HD13      ILE  68   9.498   5.224   5.224
  545   2HD1  ILE  68          HD12      ILE  68   8.208   4.624   4.624
  546   3HD1  ILE  68          HD11      ILE  68   9.782   3.830   3.830
  547    H    GLU  69           HN       GLU  69  10.425   9.134   9.134
  548    HA   GLU  69           HA       GLU  69   9.904  11.923  11.923
  549   1HB   GLU  69           HB2      GLU  69   8.020  10.586  10.586
  550   2HB   GLU  69           HB1      GLU  69   8.995  11.117  11.117
  551   1HG   GLU  69           HG2      GLU  69   7.884  12.928  12.928
  552   2HG   GLU  69           HG1      GLU  69   7.194  12.728  12.728
  553    H    THR  70           HN       THR  70  10.224  12.363  12.363
  554    HA   THR  70           HA       THR  70  13.100  12.873  12.873
  555    HB   THR  70           HB       THR  70  11.609  14.486  14.486
  556    HG1  THR  70           HG1      THR  70  12.928  13.639  13.639
  557   1HG2  THR  70          HG22      THR  70  10.102  12.549  12.549
  558   2HG2  THR  70          HG21      THR  70  11.220  12.520  12.520
  559   3HG2  THR  70          HG23      THR  70  10.308  13.984  13.984
  560    H    SER  71           HN       SER  71  13.186  12.295  12.295
  561    HA   SER  71           HA       SER  71  13.776  10.508  10.508
  562   1HB   SER  71           HB2      SER  71  11.725   9.452   9.452
  563   2HB   SER  71           HB1      SER  71  12.996   8.452   8.452
  564    HG   SER  71           HG       SER  71  13.369   7.578   7.578
  565    H    LEU  72           HN       LEU  72  14.346   9.044   9.044
  566    HA   LEU  72           HA       LEU  72  17.196   8.669   8.669
  567   1HB   LEU  72           HB2      LEU  72  17.115   7.386   7.386
  568   2HB   LEU  72           HB1      LEU  72  16.404   6.655   6.655
  569    HG   LEU  72           HG       LEU  72  14.183   7.429   7.429
  570   1HD1  LEU  72          HD11      LEU  72  15.717   8.806   8.806
  571   2HD1  LEU  72          HD13      LEU  72  13.993   8.466   8.466
  572   3HD1  LEU  72          HD12      LEU  72  14.579   9.516   9.516
  573   1HD2  LEU  72          HD22      LEU  72  14.995   5.288   5.288
  574   2HD2  LEU  72          HD21      LEU  72  13.912   6.100   6.100
  575   3HD2  LEU  72          HD23      LEU  72  15.656   6.145   6.145
  576    H    GLY  73           HN       GLY  73  16.046  11.319  11.319
  577   1HA   GLY  73           HA2      GLY  73  16.639  12.132  12.132
  578   2HA   GLY  73           HA1      GLY  73  16.845  13.175  13.175
  579    H    TYR  74           HN       TYR  74  18.815  10.993  10.993
  580    HA   TYR  74           HA       TYR  74  21.189  12.262  12.262
  581   1HB   TYR  74           HB2      TYR  74  21.146   9.967   9.967
  582   2HB   TYR  74           HB1      TYR  74  22.423  11.157  11.157
  583    HD1  TYR  74           HD2      TYR  74  21.488  13.718  13.718
  584    HD2  TYR  74           HD1      TYR  74  19.824  10.285  10.285
  585    HE1  TYR  74           HE2      TYR  74  20.453  15.212  15.212
  586    HE2  TYR  74           HE1      TYR  74  18.789  11.781  11.781
  587    HH   TYR  74           HH       TYR  74  18.024  14.341  14.341
  588    H    PHE  75           HN       PHE  75  19.408  10.428  10.428
  589    HA   PHE  75           HA       PHE  75  19.565   8.537   8.537
  590   1HB   PHE  75           HB2      PHE  75  21.661   8.568   8.568
  591   2HB   PHE  75           HB1      PHE  75  20.900  10.152  10.152
  592    HD1  PHE  75           HD2      PHE  75  23.753   8.060   8.060
  593    HD2  PHE  75           HD1      PHE  75  21.896  11.938  11.938
  594    HE1  PHE  75           HE2      PHE  75  25.850   8.991   8.991
  595    HE2  PHE  75           HE1      PHE  75  23.994  12.868  12.868
  596    HZ   PHE  75           HZ       PHE  75  25.970  11.394  11.394
  597    H    GLU  76           HN       GLU  76  20.428   8.147   8.147
  598    HA   GLU  76           HA       GLU  76  21.347   6.415   6.415
  599   1HB   GLU  76           HB2      GLU  76  19.952   5.176   5.176
  600   2HB   GLU  76           HB1      GLU  76  21.523   4.761   4.761
  601   1HG   GLU  76           HG2      GLU  76  20.634   4.182   4.182
  602   2HG   GLU  76           HG1      GLU  76  20.714   2.999   2.999