*HEADER   CYTOKINE                                01-MAY-92   1BBN    
*COMPND   INTERLEUKIN 4 (NMR, MINIMIZED AVERAGE STRUCTURE)            
*SOURCE   HUMAN (HOMO SAPIENS) RECOMBINANT FORM EXPRESSED IN YEAST    
*SOURCE  2 (SACCHAROMYCES CEREVISIAE)                                 
*AUTHOR   G.M.CLORE,B.POWERS,D.S.GARRETT,A.M.GRONENBORN               
*REVDAT  1   31-OCT-93 1BBN    0                                      

REMARK Experimental NMR restraints used for the three-dimensional structure 
REMARK determination of recombinant human interleukin-4
REMARK 
REMARK
REMARK Authors: G.M. Clore, B. Powers, D.S. Garrett and A.M. Gronenborn
REMARK
REMARK References
REMARK
REMARK 1.  R. Powers, D.S. Garrett, C.J. March, E.A. Frieden, A.M. Gronenborn
REMARK     and G.M. Clore (1992) Three dimensional solution structure of 
REMARK     human interleukin-4 by multidimensional heteronuclear magnetic 
REMARK     resonance spectroscopy. Science in press
REMARK
REMARK 2.  R. Powers, D.S. Garrett, C.J. March, E.A. Frieden, A.M. Gronenborn
REMARK     and G.M. Clore (1992) 1H, 15N, 13C and 13CO assignments of human
REMARK     interleukin-4 using three-dimensional double- and triple-resonance
REMARK     hetronuclear magnetic resonance spectroscopy. Biochemistry 31, issue
REMARK     18, in press
REMARK
REMARK 3.  D.S. Garrett, R. Powers, C.J. March, E.A. Frieden, G.M. Clore
REMARK     and A.M. Gronenborn (1992) Determination of the secondary structure
REMARK     and folding topology of human interleukin-4 using three-dimensional
REMARK     heteronuclear magnetic resonance spectroscopy. Biochemistry 31,
REMARK     issue 18, in press
REMARK
REMARK    All the coordinates
REMARK    are included here as a separate file: il4_brookhaven.pdb
REMARK 
REMARK     The numbering scheme in this structure includes the four-residue
REMARK     sequence Glu-Ala-Glu-Ala at the N-terminus of the recombinant
REMARK     protein which is not part of the natural human IL-4; the natural
REMARK     IL-4 sequence therefore starts at residue 5.
REMARK
REMARK    Details of the structure determination and all structural
REMARK    statistics are given in ref. 1 (i.e. agreement with experimental
REMARK    restraints, deviations from ideality for bond lengths, angles,
REMARK    planes and chirality, non-bonded contacts, atomic rms differences
REMARK    between the calculated structures).
REMARK    The structures are based on 823 interproton distance restraints
REMARK    derived from NOE measurements; 98 hydrogen-bonding distance
REMARK    restraints for 49 hydrogen-bonds identified on the basis of the
REMARK    NOE and amide proton exchange data, as well as the initial structure
REMARK    calculations; and 101 phi and 82 psi backbone torsion angle 
REMARK    restraints derived from oupling constants, NOE data, and 13C
REMARK    secondary chemical shifts. 
REMARK
REMARK    The method used to determine the structures
REMARK    is the hybrid metric matrix distance geometry-dynamical simulated
REMARK    annealing method  [Nilges, M., Clore, G.M. & Gronenborn, A.M.
REMARK    FEBS Lett. 229, 317-324 (1988)].
REMARK
REMARK
REMARK
REMARK    The NOE restraints are given in (A) and the torsion angle restraints
REMARK    in (B).
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.


!!sequential NOEs |i-j|=1
!E3
assign (resid    3 and  name HB#  )(resid    4 and  name HN   ) 4.0 3.2 2.0 !
!A4
assign (resid    4 and  name HA   )(resid    5 and  name HN   ) 3.0 1.2 0.5
!K6
assign (resid    6 and  name HB#  )(resid    7 and  name HN   ) 3.0 1.2 1.3 !
assign (resid    6 and  name HA   )(resid    7 and  name HN   ) 2.5 0.7 0.2
!C7
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 3.0 1.2 0.5
!D8
assign (resid    8 and  name HB#  )(resid    9 and  name HN   ) 2.5 1.7 1.2 !
assign (resid    8 and  name HA   )(resid    9 and  name HN   ) 3.0 1.2 0.5
!I9
assign (resid    9 and  name HB#  )(resid   10 and  name HN   ) 3.0 1.2 0.5
assign (resid    9 and  name HG2# )(resid   10 and  name HA   ) 4.0 3.7 1.8 !
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 3.0 1.2 0.5
!T10
assign (resid   10 and  name HB#  )(resid   11 and  name HN   ) 2.5 0.7 0.2
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 3.0 1.2 0.3
!L11
assign (resid   11 and  name HB#  )(resid   12 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   11 and  name HA   )(resid   12 and  name HN   ) 4.0 2.2 1.0
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 2.5 0.7 0.4
!Q12
assign (resid   12 and  name HB#  )(resid   13 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   12 and  name HA   )(resid   13 and  name HN   ) 3.0 1.2 0.5
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 2.5 0.7 0.4
!E13
assign (resid   13 and  name HB#  )(resid   14 and  name HN   ) 2.5 1.7 1.2 !
assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 2.5 0.7 0.4
!I14
assign (resid   14 and  name HB#  )(resid   15 and  name HN   ) 3.0 1.2 0.5
assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 2.5 0.7 0.4
!I15
assign (resid   15 and  name HB#  )(resid   16 and  name HN   ) 2.5 0.7 0.2
assign (resid   15 and  name HA   )(resid   16 and  name HN   ) 4.0 2.2 1.0
assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 3.0 1.2 0.5
!K16
assign (resid   16 and  name HB#  )(resid   17 and  name HN   ) 2.5 1.7 1.2 !
assign (resid   16 and  name HA   )(resid   17 and  name HN   ) 3.0 1.2 0.5
assign (resid   16 and  name HN   )(resid   17 and  name HN   ) 2.5 0.7 0.4
!T17
assign (resid   17 and  name HB#  )(resid   18 and  name HN   ) 2.5 0.7 0.2
assign (resid   17 and  name HN   )(resid   18 and  name HN   ) 2.5 0.7 0.4
!L18
assign (resid   18 and  name HB#  )(resid   19 and  name HN   ) 2.5 1.7 1.2 !
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 3.0 1.2 0.5
!N19
assign (resid   19 and  name HB#  )(resid   20 and  name HN   ) 2.5 1.7 1.2 !
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 3.0 1.2 0.5
!S20
assign (resid   20 and  name HB#  )(resid   21 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   20 and  name HA   )(resid   21 and  name HN   ) 4.0 2.2 1.0
assign (resid   20 and  name HN   )(resid   21 and  name HN   ) 2.5 0.7 0.4
!L21
assign (resid   21 and  name HB#  )(resid   22 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   21 and  name HA   )(resid   22 and  name HN   ) 3.0 1.2 0.5
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 3.0 1.2 0.5
!T22
assign (resid   22 and  name HB   )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   22 and  name HA   )(resid   23 and  name HN   ) 3.0 1.2 0.5
assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 3.0 1.2 0.5
!E23
assign (resid   23 and  name HA   )(resid   24 and  name HN   ) 3.0 1.2 0.5
assign (resid   23 and  name HN   )(resid   24 and  name HN   ) 4.0 2.2 1.0
!Q24
assign (resid   24 and  name HB#  )(resid   25 and  name HN   ) 3.0 2.2 1.3 !
assign (resid   24 and  name HA   )(resid   25 and  name HN   ) 2.5 0.7 0.2
assign (resid   24 and  name HN   )(resid   25 and  name HN   ) 3.0 1.2 0.5
!K25
assign (resid   25 and  name HB#  )(resid   26 and  name HN   ) 4.0 3.2 2.0 !
assign (resid   25 and  name HA   )(resid   26 and  name HN   ) 3.0 1.2 0.5
!T26
assign (resid   26 and  name HA   )(resid   27 and  name HN   ) 4.0 2.2 1.0
!L27
assign (resid   27 and  name HA   )(resid   28 and  name HN   ) 3.0 1.2 0.5
!C28
assign (resid   28 and  name HB#  )(resid   29 and  name HN   ) 4.0 3.2 2.0 !
assign (resid   28 and  name HN   )(resid   29 and  name HN   ) 3.0 1.2 0.5
!T29
assign (resid   29 and  name HG2# )(resid   30 and  name HG#  ) 4.0 4.7 3.5 ! !#
!L31
assign (resid   31 and  name HB#  )(resid   32 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   31 and  name HN   )(resid   32 and  name HN   ) 3.0 1.2 0.5
assign (resid   31 and  name HA   )(resid   32 and  name HG2# ) 4.0 3.7 2.5 !#
!T32
assign (resid   32 and  name HB#  )(resid   33 and  name HN   ) 4.0 2.2 1.0
assign (resid   32 and  name HA   )(resid   33 and  name HN   ) 3.0 1.2 0.5
assign (resid   32 and  name HN   )(resid   33 and  name HN   ) 4.0 2.2 1.0
assign (resid   32 and  name HA   )(resid   33 and  name HG*  ) 4.0 4.6 3.4 !#
!V33
assign (resid   33 and  name HB   )(resid   34 and  name HN   ) 4.0 2.2 1.0
!T34
assign (resid   34 and  name HB#  )(resid   35 and  name HN   ) 4.0 2.2 1.0
assign (resid   34 and  name HA   )(resid   35 and  name HN   ) 2.5 0.7 0.2
assign (resid   34 and  name HN   )(resid   35 and  name HN   ) 4.0 2.2 1.0
!I36
assign (resid   36 and  name HN   )(resid   37 and  name HN   ) 3.0 1.2 0.5
assign (resid   36 and  name HG1# )(resid   37 and  name HA   ) 4.0 3.2 2.0 !
assign (resid   36 and  name HD#  )(resid   37 and  name HA   ) 4.0 3.7 2.5 !
assign (resid   36 and  name HD#  )(resid   37 and  name HE#  ) 3.0 4.7 3.8 ! !#
assign (resid   36 and  name HG1# )(resid   37 and  name HE#  ) 3.0 4.2 3.3 ! !#
assign (resid   36 and  name HG2# )(resid   37 and  name HE#  ) 4.0 5.7 4.5 ! !#
assign (resid   36 and  name HG2# )(resid   37 and  name HD#  ) 3.0 4.7 3.8 ! !#
assign (resid   36 and  name HG1# )(resid   37 and  name HD#  ) 3.0 4.2 3.3 ! !#
assign (resid   36 and  name HD#  )(resid   37 and  name HZ   ) 3.0 2.7 1.8 !
assign (resid   36 and  name HG1# )(resid   37 and  name HZ   ) 3.0 2.2 1.3 !
assign (resid   36 and  name HG2# )(resid   37 and  name HZ   ) 4.0 3.7 2.5 !
!F37
assign (resid   37 and  name HB#  )(resid   38 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   37 and  name HA   )(resid   38 and  name HN   ) 3.0 1.2 0.5
assign (resid   37 and  name HN   )(resid   38 and  name HN   ) 2.5 0.7 0.4
!A38
assign (resid   38 and  name HA   )(resid   39 and  name HN   ) 3.0 1.2 0.5
assign (resid   38 and  name HN   )(resid   39 and  name HN   ) 3.0 1.2 0.5
!A39
assign (resid   39 and  name HB#  )(resid   40 and  name HN   ) 3.0 2.7 2.0 !
assign (resid   39 and  name HA   )(resid   40 and  name HN   ) 2.5 0.7 0.2
!S40
assign (resid   40 and  name HN   )(resid   41 and  name HN   ) 4.0 2.2 1.0
!K41
assign (resid   41 and  name HB#  )(resid   42 and  name HN   ) 3.0 2.2 1.5 !
!D42
assign (resid   42 and  name HB#  )(resid   43 and  name HN   ) 4.0 3.2 2.0 !
assign (resid   42 and  name HN   )(resid   43 and  name HN   ) 2.5 0.7 0.4
!T43
assign (resid   43 and  name HB#  )(resid   44 and  name HN   ) 3.0 1.2 0.5
!T44
assign (resid   44 and  name HA   )(resid   45 and  name HN   ) 3.0 1.2 0.5
assign (resid   44 and  name HN   )(resid   45 and  name HN   ) 4.0 2.2 1.0
!K46
assign (resid   46 and  name HN   )(resid   47 and  name HN   ) 3.0 1.2 0.5
!E47
assign (resid   47 and  name HB#  )(resid   48 and  name HN   ) 2.5 1.7 1.2 !
assign (resid   47 and  name HA   )(resid   48 and  name HN   ) 4.0 2.2 1.0
assign (resid   47 and  name HN   )(resid   48 and  name HN   ) 3.0 1.2 0.5
!T48
assign (resid   48 and  name HA   )(resid   49 and  name HN   ) 3.0 1.2 0.5
assign (resid   48 and  name HN   )(resid   49 and  name HN   ) 3.0 1.2 0.5
assign (resid   48 and  name HB#  )(resid   49 and  name HD#  ) 4.0 4.2 3.0 !#
assign (resid   48 and  name HG2# )(resid   49 and  name HD#  ) 4.0 5.7 4.5 ! !#
!F49
assign (resid   49 and  name HB#  )(resid   50 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   49 and  name HA   )(resid   50 and  name HN   ) 4.0 2.2 1.0
assign (resid   49 and  name HN   )(resid   50 and  name HN   ) 3.0 1.2 0.5
!C50
assign (resid   50 and  name HB#  )(resid   51 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   50 and  name HN   )(resid   51 and  name HN   ) 2.5 0.7 0.4
!R51
assign (resid   51 and  name HB#  )(resid   52 and  name HN   ) 3.0 2.2 1.5 !
ssign (resid 51 and name ha)  (resid 52 and name hn) 4.0 2.2 1.0
assign (resid   51 and  name HN   )(resid   52 and  name HN   ) 2.5 0.7 0.4
!A52
assign (resid   52 and  name HB#  )(resid   53 and  name HN   ) 3.0 2.7 2.0 !
assign (resid   52 and  name HA   )(resid   53 and  name HN   ) 3.0 1.2 0.5
assign (resid   52 and  name HN   )(resid   53 and  name HN   ) 2.5 0.7 0.4
!A53
assign (resid   53 and  name HA   )(resid   54 and  name HN   ) 4.0 2.2 1.0
assign (resid   53 and  name HN   )(resid   54 and  name HN   ) 3.0 1.2 0.5
!T54
assign (resid   54 and  name HN   )(resid   55 and  name HN   ) 2.5 0.7 0.4
assign (resid   54 and  name HG2# )(resid   55 and  name HA   ) 3.0 2.7 1.8 !
!V55
assign (resid   55 and  name HB#  )(resid   56 and  name HN   ) 3.0 1.2 0.5
assign (resid   55 and  name HA   )(resid   56 and  name HN   ) 4.0 2.2 1.0
assign (resid   55 and  name HN   )(resid   56 and  name HN   ) 3.0 1.2 0.5
!R57
assign (resid   57 and  name HN   )(resid   58 and  name HN   ) 3.0 1.2 0.5
!Q58
assign (resid   58 and  name HB#  )(resid   59 and  name HN   ) 2.5 1.7 1.2 !
assign (resid   58 and  name HA   )(resid   59 and  name HN   ) 3.0 1.2 0.5
assign (resid   58 and  name HN   )(resid   59 and  name HN   ) 3.0 1.2 0.5
!F59
assign (resid   59 and  name HB#  )(resid   60 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   59 and  name HN   )(resid   60 and  name HN   ) 3.0 1.2 0.5
assign (resid   59 and  name HD#  )(resid   60 and  name HB#  ) 4.0 5.2 4.0 ! !#
!Y60
assign (resid   60 and  name HB#  )(resid   61 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   60 and  name HA   )(resid   61 and  name HN   ) 4.0 2.2 1.0
assign (resid   60 and  name HN   )(resid   61 and  name HN   ) 3.0 1.2 0.5
assign (resid   60 and  name HD#  )(resid   61 and  name HA   ) 3.0 3.2 2.3 !
!S61
assign (resid   61 and  name HB#  )(resid   62 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   61 and  name HN   )(resid   62 and  name HN   ) 2.5 0.7 0.4
!H62
assign (resid   62 and  name HB#  )(resid   63 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   62 and  name HN   )(resid   63 and  name HN   ) 2.5 0.7 0.4
!H63
assign (resid   63 and  name HB#  )(resid   64 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   63 and  name HA   )(resid   64 and  name HN   ) 4.0 2.2 1.0
assign (resid   63 and  name HN   )(resid   64 and  name HN   ) 3.0 1.2 0.5
!T67
assign (resid   67 and  name HA   )(resid   68 and  name HN   ) 3.0 1.2 0.5
!R68
assign (resid   68 and  name HB#  )(resid   69 and  name HN   ) 4.0 3.2 2.0 !
assign (resid   68 and  name HA   )(resid   69 and  name HN   ) 4.0 2.2 1.0
assign (resid   68 and  name HN   )(resid   69 and  name HN   ) 3.0 1.2 0.5
!C69
assign (resid   69 and  name HB#  )(resid   70 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   69 and  name HA   )(resid   70 and  name HN   ) 3.0 1.2 0.5
assign (resid   69 and  name HN   )(resid   70 and  name HN   ) 3.0 1.2 0.5
!L70
assign (resid   70 and  name HB#  )(resid   71 and  name HN   ) 4.0 3.2 2.0 !
assign (resid   70 and  name HN   )(resid   71 and  name HN   ) 3.0 1.2 0.5
!G71
assign (resid   71 and  name HA#  )(resid   72 and  name HN   ) 2.5 1.7 1.2 !
assign (resid   71 and  name HN   )(resid   72 and  name HN   ) 4.0 2.2 1.0
!A72
assign (resid   72 and  name HB#  )(resid   73 and  name HN   ) 3.0 2.7 2.0 !
assign (resid   72 and  name HN   )(resid   73 and  name HN   ) 2.5 0.7 0.4
!Q75
assign (resid   75 and  name HB#  )(resid   76 and  name HN   ) 2.5 1.7 1.2 !
!Q76
assign (resid   76 and  name HB#  )(resid   77 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   76 and  name HA   )(resid   77 and  name HN   ) 3.0 1.2 0.5
assign (resid   76 and  name HN   )(resid   77 and  name HN   ) 2.5 0.7 0.4
!F77
assign (resid   77 and  name HB#  )(resid   78 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   77 and  name HA   )(resid   78 and  name HN   ) 4.0 2.2 1.0
!H78
assign (resid   78 and  name HB#  )(resid   79 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   78 and  name HA   )(resid   79 and  name HN   ) 3.0 1.2 0.5
assign (resid   78 and  name HN   )(resid   79 and  name HN   ) 3.0 1.2 0.5
!R79
assign (resid   79 and  name HB#  )(resid   80 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   79 and  name HA   )(resid   80 and  name HN   ) 4.0 2.2 1.0
assign (resid   79 and  name HN   )(resid   80 and  name HN   ) 4.0 2.2 1.0
!H80
assign (resid   80 and  name HB#  )(resid   81 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   80 and  name HN   )(resid   81 and  name HN   ) 2.5 0.7 0.4
!K81
assign (resid   81 and  name HB#  )(resid   82 and  name HN   ) 2.5 1.7 1.2 !
assign (resid   81 and  name HA   )(resid   82 and  name HN   ) 3.0 1.2 0.5
assign (resid   81 and  name HN   )(resid   82 and  name HN   ) 2.5 0.7 0.4
!Q82
assign (resid   82 and  name HB#  )(resid   83 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   82 and  name HA   )(resid   83 and  name HN   ) 4.0 2.2 1.0
!L83
assign (resid   83 and  name HB#  )(resid   84 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   83 and  name HN   )(resid   84 and  name HN   ) 2.5 0.7 0.4
!I84
assign (resid   84 and  name HB#  )(resid   85 and  name HN   ) 2.5 0.7 0.2
assign (resid   84 and  name HA   )(resid   85 and  name HN   ) 4.0 2.2 1.0
assign (resid   84 and  name HN   )(resid   85 and  name HN   ) 2.5 0.7 0.4
!R85
assign (resid   85 and  name HB#  )(resid   86 and  name HN   ) 2.5 1.7 1.2 !
assign (resid   85 and  name HA   )(resid   86 and  name HN   ) 3.0 1.2 0.5
assign (resid   85 and  name HN   )(resid   86 and  name HN   ) 3.0 1.2 0.3
!F86
assign (resid   86 and  name HB#  )(resid   87 and  name HN   ) 4.0 3.2 2.0 !
assign (resid   86 and  name HA   )(resid   87 and  name HN   ) 4.0 2.2 1.0
assign (resid   86 and  name HN   )(resid   87 and  name HN   ) 2.5 0.7 0.4
!L87
assign (resid   87 and  name HB#  )(resid   88 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   87 and  name HA   )(resid   88 and  name HN   ) 4.0 2.2 1.0
assign (resid   87 and  name HN   )(resid   88 and  name HN   ) 2.5 0.7 0.4
assign (resid   87 and  name HD*  )(resid   88 and  name HG1  ) 3.0 4.6 3.7 ! !#
assign (resid   87 and  name HD*  )(resid   88 and  name HG2  ) 3.0 4.6 3.7 ! !#
!K88
assign (resid   88 and  name HB#  )(resid   89 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   88 and  name HA   )(resid   89 and  name HN   ) 4.0 2.2 1.0
assign (resid   88 and  name HN   )(resid   89 and  name HN   ) 2.5 0.7 0.4
!R89
assign (resid   89 and  name HB#  )(resid   90 and  name HN   ) 2.5 1.7 1.2 !
assign (resid   89 and  name HA   )(resid   90 and  name HN   ) 3.0 1.2 0.5
assign (resid   89 and  name HN   )(resid   90 and  name HN   ) 2.5 0.7 0.4
!L90
assign (resid   90 and  name HB#  )(resid   91 and  name HN   ) 2.5 1.7 1.2 !
assign (resid   90 and  name HA   )(resid   91 and  name HN   ) 3.0 1.2 0.5
assign (resid   90 and  name HN   )(resid   91 and  name HN   ) 3.0 1.2 0.5
!D91
assign (resid   91 and  name HB#  )(resid   92 and  name HN   ) 2.5 1.7 1.2 !
assign (resid   91 and  name HN   )(resid   92 and  name HN   ) 2.5 0.7 0.4
!R92
assign (resid   92 and  name HB#  )(resid   93 and  name HN   ) 2.5 1.7 1.2 !
assign (resid   92 and  name HA   )(resid   93 and  name HN   ) 3.0 1.2 0.5
assign (resid   92 and  name HN   )(resid   93 and  name HN   ) 3.0 1.2 0.5
!N93
assign (resid   93 and  name HB#  )(resid   94 and  name HN   ) 4.0 3.2 2.0 !
assign (resid   93 and  name HA   )(resid   94 and  name HN   ) 4.0 2.2 1.0
assign (resid   93 and  name HN   )(resid   94 and  name HN   ) 2.5 0.7 0.4
!L94
assign (resid   94 and  name HA   )(resid   95 and  name HN   ) 4.0 2.2 1.0
assign (resid   94 and  name HN   )(resid   95 and  name HN   ) 3.0 1.2 0.5
!W95
assign (resid   95 and  name HB#  )(resid   96 and  name HN   ) 2.5 1.7 1.2 !
assign (resid   95 and  name HA   )(resid   96 and  name HN   ) 4.0 2.2 1.0
assign (resid   95 and  name HN   )(resid   96 and  name HN   ) 2.5 0.7 0.4
!G96
assign (resid   96 and  name HA#  )(resid   97 and  name HN   ) 3.0 2.2 1.5 !
assign (resid   96 and  name HN   )(resid   97 and  name HN   ) 2.5 0.7 0.4
!L97
assign (resid   97 and  name HN   )(resid   98 and  name HN   ) 2.5 0.7 0.4
!A98
assign (resid   98 and  name HB#  )(resid   99 and  name HN   ) 2.5 2.2 1.7 !
assign (resid   98 and  name HA   )(resid   99 and  name HN   ) 3.0 1.2 0.5
assign (resid   98 and  name HN   )(resid   99 and  name HN   ) 2.5 0.7 0.4
!G99
assign (resid   99 and  name HA#  )(resid  100 and  name HN   ) 2.5 1.7 1.2 !
assign (resid   99 and  name HN   )(resid  100 and  name HN   ) 2.5 0.7 0.4
!N101
assign (resid  101 and  name HB#  )(resid  102 and  name HN   ) 4.0 3.2 2.0 !
!S102
assign (resid  102 and  name HB#  )(resid  103 and  name HA   ) 4.0 3.2 2.0 !
!C103
assign (resid  103 and  name HA   )(resid  104 and  name HD#  ) 2.5 1.7 1.2 !#
assign (resid  103 and  name HA   )(resid  104 and  name HD#  ) 3.0 2.2 1.3 !#
assign (resid  103 and  name HA   )(resid  104 and  name HG#  ) 4.0 3.2 2.0 !#
!P104
assign (resid  104 and  name HB#  )(resid  105 and  name HN   ) 3.0 2.2 1.5 !
assign (resid  104 and  name HA   )(resid  105 and  name HN   ) 3.0 1.2 0.5
!V105
assign (resid  105 and  name HA   )(resid  106 and  name HN   ) 2.5 0.7 0.2
!K106
assign (resid  106 and  name HB#  )(resid  107 and  name HN   ) 3.0 2.2 1.5 !
!E107
assign (resid  107 and  name HB#  )(resid  108 and  name HN   ) 3.0 2.2 1.5 !
!A108
assign (resid  108 and  name HB#  )(resid  109 and  name HN   ) 2.5 2.2 1.7 !
assign (resid  108 and  name HA   )(resid  109 and  name HN   ) 2.5 0.7 0.2
!D109
assign (resid  109 and  name HB#  )(resid  110 and  name HN   ) 4.0 3.2 2.0 !
assign (resid  109 and  name HN   )(resid  110 and  name HN   ) 4.0 2.2 1.0
!Q110
assign (resid  110 and  name HB#  )(resid  111 and  name HN   ) 3.0 2.2 1.5 !
assign (resid  110 and  name HN   )(resid  111 and  name HN   ) 4.0 2.2 1.0
!S111
assign (resid  111 and  name HA   )(resid  112 and  name HN   ) 2.5 0.7 0.2
assign (resid  111 and  name HN   )(resid  112 and  name HN   ) 4.0 2.2 1.0
assign (resid  111 and  name HA   )(resid  112 and  name HG2# ) 4.0 3.7 2.5 !#
!T112
assign (resid  112 and  name HA   )(resid  113 and  name HN   ) 2.5 0.7 0.2
!L113
assign (resid  113 and  name HB#  )(resid  114 and  name HN   ) 4.0 3.2 2.0 !
assign (resid  113 and  name HN   )(resid  114 and  name HN   ) 3.0 1.2 0.5
!E114
assign (resid  114 and  name HB#  )(resid  115 and  name HN   ) 3.0 2.2 1.5 !
assign (resid  114 and  name HA   )(resid  115 and  name HN   ) 3.0 1.2 0.5
assign (resid  114 and  name HN   )(resid  115 and  name HN   ) 3.0 1.2 0.5
!N115
assign (resid  115 and  name HB#  )(resid  116 and  name HN   ) 3.0 2.2 1.5 !
assign (resid  115 and  name HN   )(resid  116 and  name HN   ) 2.5 0.7 0.4
!F116
assign (resid  116 and  name HB#  )(resid  117 and  name HN   ) 3.0 2.2 1.5 !
assign (resid  116 and  name HA   )(resid  117 and  name HN   ) 4.0 2.2 1.0
assign (resid  116 and  name HN   )(resid  117 and  name HN   ) 3.0 1.2 0.5
!L117
assign (resid  117 and  name HN   )(resid  118 and  name HN   ) 3.0 1.2 0.5
!E118
assign (resid  118 and  name HA   )(resid  119 and  name HN   ) 3.0 1.2 0.5
!R119
assign (resid  119 and  name HB#  )(resid  120 and  name HN   ) 2.5 1.7 1.2 !
assign (resid  119 and  name HA   )(resid  120 and  name HN   ) 3.0 1.2 0.5
assign (resid  119 and  name HN   )(resid  120 and  name HN   ) 2.5 0.7 0.4
!L120
assign (resid  120 and  name HB#  )(resid  121 and  name HN   ) 3.0 2.2 1.5 !
assign (resid  120 and  name HA   )(resid  121 and  name HN   ) 4.0 2.2 1.0
assign (resid  120 and  name HN   )(resid  121 and  name HN   ) 2.5 0.7 0.4
!K121
assign (resid  121 and  name HB#  )(resid  122 and  name HN   ) 2.5 1.7 1.2 !
assign (resid  121 and  name HA   )(resid  122 and  name HN   ) 3.0 1.2 0.5
assign (resid  121 and  name HN   )(resid  122 and  name HN   ) 2.5 0.7 0.4
assign (resid  121 and  name HB#  )(resid  122 and  name HG2# ) 3.0 3.7 2.8 ! !#
assign (resid  121 and  name HE#  )(resid  122 and  name HG2# ) 3.0 3.7 2.8 ! !#
!T122
assign (resid  122 and  name HB#  )(resid  123 and  name HN   ) 2.5 0.7 0.2
assign (resid  122 and  name HA   )(resid  123 and  name HN   ) 3.0 1.2 0.5
assign (resid  122 and  name HN   )(resid  123 and  name HN   ) 2.5 0.7 0.4
!I123
assign (resid  123 and  name HB#  )(resid  124 and  name HN   ) 2.5 0.7 0.2
assign (resid  123 and  name HA   )(resid  124 and  name HN   ) 3.0 1.2 0.5
assign (resid  123 and  name HN   )(resid  124 and  name HN   ) 2.5 0.7 0.4
assign (resid  123 and  name HG2# )(resid  124 and  name HA   ) 3.0 2.7 1.8 !
assign (resid  123 and  name HG2# )(resid  124 and  name HG#  ) 4.0 4.7 3.5 ! !#
!M124
assign (resid  124 and  name HB#  )(resid  125 and  name HN   ) 3.0 2.2 1.5 !
assign (resid  124 and  name HA   )(resid  125 and  name HN   ) 3.0 1.2 0.5
assign (resid  124 and  name HN   )(resid  125 and  name HN   ) 3.0 1.2 0.5
!R125
assign (resid  125 and  name HB#  )(resid  126 and  name HN   ) 2.5 1.7 1.2 !
assign (resid  125 and  name HA   )(resid  126 and  name HN   ) 3.0 1.2 0.5
assign (resid  125 and  name HN   )(resid  126 and  name HN   ) 2.5 0.7 0.4
!E126
assign (resid  126 and  name HB#  )(resid  127 and  name HN   ) 2.5 1.7 1.2 !
assign (resid  126 and  name HN   )(resid  127 and  name HN   ) 3.0 1.2 0.5
!K127
assign (resid  127 and  name HA   )(resid  128 and  name HN   ) 4.0 2.2 1.0
assign (resid  127 and  name HN   )(resid  128 and  name HN   ) 2.5 0.7 0.4
!Y128
assign (resid  128 and  name HB#  )(resid  129 and  name HN   ) 3.0 2.2 1.5 !
assign (resid  128 and  name HA   )(resid  129 and  name HN   ) 3.0 1.2 0.5
assign (resid  128 and  name HN   )(resid  129 and  name HN   ) 2.5 0.7 0.4
!S129
assign (resid  129 and  name HN   )(resid  130 and  name HN   ) 3.0 1.2 0.5
!K130
assign (resid  130 and  name HB#  )(resid  131 and  name HN   ) 3.0 2.2 1.5 !
assign (resid  130 and  name HA   )(resid  131 and  name HN   ) 3.0 1.2 0.5
assign (resid  130 and  name HN   )(resid  131 and  name HN   ) 2.5 0.7 0.4
!C131
assign (resid  131 and  name HN   )(resid  132 and  name HN   ) 2.5 0.7 0.4
!S132
assign (resid  132 and  name HB#  )(resid  133 and  name HN   ) 4.0 3.2 2.0 !
assign (resid  132 and  name HA   )(resid  133 and  name HN   ) 2.5 0.7 0.2

!Medium range NOEs 1 < |i-j| <=5
!H5
assign (resid    5 and  name HN   )(resid    7 and  name HN   ) 4.0 2.2 1.0
!C7
assign (resid    7 and  name HA   )(resid   10 and  name HB#  ) 4.0 2.2 1.0
!D8
assign (resid    8 and  name HA   )(resid   11 and  name HB#  ) 4.0 3.2 2.0 !#
!I9
assign (resid    9 and  name HA   )(resid   12 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid    9 and  name HA   )(resid   12 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   12 and  name HG#  ) 3.0 2.2 1.3 !#
assign (resid    9 and  name HG2# )(resid   10 and  name HA   ) 4.0 3.7 1.8 !
!T10
assign (resid   10 and  name HA   )(resid   13 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   10 and  name HA   )(resid   13 and  name HN   ) 4.0 2.2 1.0
assign (resid   10 and  name HG2# )(resid   14 and  name HB#  ) 3.0 2.7 1.8 !
assign (resid   10 and  name HG2# )(resid   14 and  name HG1# ) 3.0 3.7 2.8 ! !#
assign (resid   10 and  name HG2# )(resid   14 and  name HD#  ) 3.0 4.2 3.3 ! !#
assign (resid   10 and  name HG2# )(resid   13 and  name HB#  ) 4.0 4.7 3.5 ! !#
!L11
assign (resid   11 and  name HA   )(resid   14 and  name HB#  ) 3.0 1.2 0.3
assign (resid   11 and  name HA   )(resid   14 and  name HN   ) 4.0 2.2 1.0
assign (resid   11 and  name HD*  )(resid   15 and  name HD#  ) 3.0 5.1 4.2 ! !#
assign (resid   11 and  name HG   )(resid   15 and  name HD#  ) 4.0 3.7 2.5 !#
assign (resid   11 and  name HB#  )(resid   15 and  name HD#  ) 4.0 4.7 3.5 ! !#
assign (resid   11 and  name HA   )(resid   14 and  name HD#  ) 3.0 2.7 1.8 !#
!Q12
assign (resid   12 and  name HA   )(resid   15 and  name HB#  ) 3.0 1.2 0.3
assign (resid   12 and  name HA   )(resid   15 and  name HN   ) 4.0 2.2 1.0
assign (resid   12 and  name HA   )(resid   14 and  name HN   ) 4.0 2.2 1.0
assign (resid   12 and  name HN   )(resid   14 and  name HN   ) 4.0 2.2 1.0
assign (resid   12 and  name HA   )(resid   15 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid   12 and  name HA   )(resid   15 and  name HD#  ) 3.0 2.7 1.8 !#
!E13
assign (resid   13 and  name HA   )(resid   16 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   13 and  name HA   )(resid   15 and  name HN   ) 4.0 2.2 1.0
assign (resid   13 and  name HA   )(resid   16 and  name HE#  ) 3.0 2.2 1.3 !#
!I14
assign (resid   14 and  name HA   )(resid   17 and  name HB#  ) 3.0 1.2 0.3
assign (resid   14 and  name HA   )(resid   17 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   14 and  name HA   )(resid   17 and  name HG2# ) 4.0 3.7 2.5 !#
!I15
assign (resid   15 and  name HA   )(resid   18 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   15 and  name HA   )(resid   18 and  name HN   ) 4.0 2.2 1.0
assign (resid   15 and  name HA   )(resid   17 and  name HN   ) 4.0 2.2 1.0
assign (resid   15 and  name HN   )(resid   17 and  name HN   ) 4.0 2.2 1.0
!K16
assign (resid   16 and  name HA   )(resid   19 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   16 and  name HA   )(resid   19 and  name HN   ) 4.0 2.2 1.0
!T17
assign (resid   17 and  name HA   )(resid   20 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   17 and  name HA   )(resid   19 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HN   )(resid   19 and  name HN   ) 4.0 2.2 1.0
!L18
assign (resid   18 and  name HA   )(resid   21 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   18 and  name HA   )(resid   21 and  name HN   ) 4.0 2.2 1.0
assign (resid   18 and  name HN   )(resid   20 and  name HN   ) 4.0 2.2 1.0
!N19
assign (resid   19 and  name HA   )(resid   22 and  name HB#  ) 4.0 2.2 1.0
assign (resid   19 and  name HN   )(resid   21 and  name HN   ) 4.0 2.2 1.0
assign (resid   19 and  name HA   )(resid   22 and  name HG2# ) 4.0 3.7 2.5 !#
!S20
assign (resid   20 and  name HA   )(resid   23 and  name HB#  ) 3.0 2.2 1.3 !#
!L21
assign (resid   21 and  name HA   )(resid   24 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   21 and  name HA   )(resid   24 and  name HN   ) 4.0 2.2 1.0
assign (resid   21 and  name HA   )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   21 and  name HN   )(resid   23 and  name HN   ) 4.0 2.2 1.0
!T22
assign (resid   22 and  name HA   )(resid   24 and  name HN   ) 4.0 2.2 1.0
!E23
assign (resid   23 and  name HA   )(resid   25 and  name HN   ) 4.0 2.2 1.0
!Q24
assign (resid   24 and  name HA   )(resid   27 and  name HB#  ) 4.0 3.2 2.0 !#
!K25
assign (resid   25 and  name HA   )(resid   28 and  name HB#  ) 4.0 3.2 2.0 !#
!T26
assign (resid   26 and  name HA   )(resid   29 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
!L27
assign (resid   27 and  name HA   )(resid   30 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   27 and  name HN   )(resid   29 and  name HN   ) 4.0 2.2 1.0
!C28
assign (resid   28 and  name HA   )(resid   31 and  name HD1# ) 4.0 3.7 2.5 !#
assign (resid   28 and  name HA   )(resid   31 and  name HD2# ) 4.0 3.7 2.5 !#
assign (resid   28 and  name HA   )(resid   31 and  name HG   ) 4.0 2.2 1.0
assign (resid   28 and  name HB#  )(resid   31 and  name HD*  ) 4.0 5.6 4.4 ! !#
!T29
assign (resid   29 and  name HA   )(resid   31 and  name HN   ) 4.0 2.2 1.0
!E30
assign (resid   30 and  name HA   )(resid   32 and  name HG2# ) 4.0 3.7 2.5 !#
!T34
assign (resid   34 and  name HB   )(resid   36 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid   34 and  name HG2# )(resid   36 and  name HB   ) 3.0 2.7 1.8 !
assign (resid   34 and  name HG2# )(resid   36 and  name HD#  ) 3.0 4.2 3.3 ! !#
!I36
assign (resid   36 and  name HA   )(resid   38 and  name HN   ) 4.0 2.2 1.0
assign (resid   36 and  name HN   )(resid   38 and  name HN   ) 4.0 2.2 1.0
!F37
assign (resid   37 and  name HN   )(resid   39 and  name HN   ) 4.0 2.2 1.0
!T43
assign (resid   43 and  name HB   )(resid   47 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   43 and  name HG2# )(resid   47 and  name HB#  ) 3.0 3.7 2.8 ! !#
!T44
assign (resid   44 and  name HA   )(resid   48 and  name HN   ) 4.0 2.2 1.0
assign (resid   44 and  name HA   )(resid   47 and  name HN   ) 4.0 2.2 1.0
!E45
assign (resid   45 and  name HA   )(resid   48 and  name HB#  ) 3.0 1.2 0.3
assign (resid   45 and  name HB#  )(resid   49 and  name HE#  ) 3.0 4.2 3.3 ! !#
assign (resid   45 and  name HB#  )(resid   49 and  name HZ   ) 3.0 2.2 1.3 !
!K46
assign (resid   46 and  name HA   )(resid   49 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   46 and  name HA   )(resid   49 and  name HN   ) 4.0 2.2 1.0
assign (resid   46 and  name HA   )(resid   49 and  name HD#  ) 3.0 3.2 2.3 !#
!E47
assign (resid   47 and  name HA   )(resid   50 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   47 and  name HA   )(resid   50 and  name HN   ) 4.0 2.2 1.0
assign (resid   47 and  name HN   )(resid   49 and  name HN   ) 4.0 2.2 1.0
!T48
assign (resid   48 and  name HA   )(resid   51 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   48 and  name HA   )(resid   52 and  name HN   ) 4.0 2.2 1.0
assign (resid   48 and  name HA   )(resid   51 and  name HN   ) 4.0 2.2 1.0
assign (resid   48 and  name HN   )(resid   50 and  name HN   ) 4.0 2.2 1.0
assign (resid   48 and  name HG2# )(resid   52 and  name HB#  ) 3.0 4.2 3.3 ! !#
assign (resid   48 and  name HA   )(resid   51 and  name HD#  ) 4.0 3.2 2.0 !#
!F49
assign (resid   49 and  name HA   )(resid   52 and  name HB#  ) 3.0 2.7 1.8 !#
assign (resid   49 and  name HA   )(resid   52 and  name HN   ) 4.0 2.2 1.0
assign (resid   49 and  name HA   )(resid   51 and  name HN   ) 4.0 2.2 1.0
assign (resid   49 and  name HA   )(resid   52 and  name HB#  ) 3.0 2.7 1.8 !#
!C50
assign (resid   50 and  name HA   )(resid   53 and  name HB#  ) 4.0 3.7 2.5 !#
assign (resid   50 and  name HN   )(resid   52 and  name HN   ) 4.0 2.2 1.0
assign (resid   50 and  name HA   )(resid   52 and  name HB#  ) 4.0 3.7 2.5 !#
!R51
assign (resid   51 and  name HA   )(resid   54 and  name HB#  ) 3.0 1.2 0.3
assign (resid   51 and  name HA   )(resid   54 and  name HN   ) 4.0 2.2 1.0
assign (resid   51 and  name HA   )(resid   53 and  name HN   ) 4.0 2.2 1.0
assign (resid   51 and  name HN   )(resid   53 and  name HN   ) 4.0 2.2 1.0
!A52
assign (resid   52 and  name HA   )(resid   55 and  name HB#  ) 3.0 1.2 0.3
assign (resid   52 and  name HA   )(resid   56 and  name HN   ) 4.0 2.2 1.0
assign (resid   52 and  name HA   )(resid   55 and  name HN   ) 4.0 2.2 1.0
assign (resid   52 and  name HN   )(resid   54 and  name HN   ) 4.0 2.2 1.0
assign (resid   52 and  name HA   )(resid   55 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   52 and  name HA   )(resid   55 and  name HG1# ) 4.0 3.7 2.5 !#
assign (resid   52 and  name HB#  )(resid   55 and  name HB   ) 3.0 2.7 1.8 !
assign (resid   52 and  name HB#  )(resid   56 and  name HD*  ) 3.0 5.1 4.2 ! !#
!A53
assign (resid   53 and  name HA   )(resid   56 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   53 and  name HA   )(resid   55 and  name HN   ) 4.0 2.2 1.0
assign (resid   53 and  name HA   )(resid   56 and  name HD1# ) 3.0 2.7 1.8 !#
assign (resid   53 and  name HA   )(resid   56 and  name HD2# ) 3.0 2.7 1.8 !#
!T54
assign (resid   54 and  name HA   )(resid   57 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   54 and  name HA   )(resid   57 and  name HD#  ) 4.0 3.2 2.0 !#
!V55
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 HN   ) 4.0 2.2 1.0
assign (resid   55 and  name HA   )(resid   57 and  name HN   ) 4.0 2.2 1.0
!L56
assign (resid   56 and  name HA   )(resid   59 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   56 and  name HA   )(resid   59 and  name HN   ) 4.0 2.2 1.0
!Q58
assign (resid   58 and  name HA   )(resid   61 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   58 and  name HN   )(resid   60 and  name HN   ) 4.0 2.2 1.0
!F59
assign (resid   59 and  name HA   )(resid   62 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   59 and  name HA   )(resid   62 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   59 and  name HA   )(resid   63 and  name HD2  ) 3.0 1.2 0.3
assign (resid   59 and  name HB#  )(resid   63 and  name HD2  ) 4.0 3.2 2.0 !
assign (resid   59 and  name HD#  )(resid   63 and  name HB#  ) 4.0 5.2 4.0 ! !#
!Y60
assign (resid   60 and  name HA   )(resid   63 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   60 and  name HA   )(resid   64 and  name HN   ) 4.0 2.2 1.0
assign (resid   60 and  name HA   )(resid   63 and  name HN   ) 4.0 2.2 1.0
assign (resid   60 and  name HA   )(resid   62 and  name HN   ) 4.0 2.2 1.0
assign (resid   60 and  name HN   )(resid   62 and  name HN   ) 4.0 2.2 1.0
!S61
assign (resid   61 and  name HA   )(resid   64 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   61 and  name HN   )(resid   63 and  name HN   ) 4.0 2.2 1.0
!H62
assign (resid   62 and  name HN   )(resid   64 and  name HN   ) 4.0 2.2 1.0
!H63
assign (resid   63 and  name HA   )(resid   66 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   63 and  name HA   )(resid   66 and  name HN   ) 4.0 2.2 1.0
!T67
assign (resid   67 and  name HA   )(resid   70 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   67 and  name HN   )(resid   69 and  name HN   ) 4.0 2.2 1.0
assign (resid   67 and  name HA   )(resid   70 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   67 and  name HA   )(resid   70 and  name HG   ) 3.0 1.2 0.3
assign (resid   67 and  name HA   )(resid   70 and  name HD*  ) 3.0 3.6 2.7 !#
assign (resid   67 and  name HB   )(resid   70 and  name HD*  ) 4.0 4.6 3.4 !#
assign (resid   67 and  name HB   )(resid   70 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   67 and  name HG2# )(resid   70 and  name HD*  ) 4.0 6.1 4.9 ! !#
!R68
assign (resid   68 and  name HN   )(resid   70 and  name HN   ) 4.0 2.2 1.0
!G71
assign (resid   71 and  name HA#  )(resid   73 and  name HN   ) 4.0 3.2 2.0 !
assign (resid   71 and  name HA#  )(resid   76 and  name HB#  ) 4.0 4.2 3.0 ! !#
!T73
assign (resid   73 and  name HA   )(resid   75 and  name HN   ) 4.0 2.2 1.0
assign (resid   73 and  name HG2# )(resid   76 and  name HB#  ) 4.0 4.7 3.5 ! !#
assign (resid   73 and  name HG2# )(resid   76 and  name HG#  ) 4.0 4.7 3.5 ! !#
!A74
assign (resid   74 and  name HA   )(resid   77 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   74 and  name HB#  )(resid   77 and  name HB#  ) 4.0 4.7 3.5 ! !#
!Q75
assign (resid   75 and  name HA   )(resid   78 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   75 and  name HA   )(resid   77 and  name HN   ) 4.0 2.2 1.0
!Q76
assign (resid   76 and  name HA   )(resid   79 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   76 and  name HA   )(resid   79 and  name HN   ) 4.0 2.2 1.0
assign (resid   76 and  name HN   )(resid   78 and  name HN   ) 4.0 2.2 1.0
!F77
assign (resid   77 and  name HA   )(resid   80 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   77 and  name HA   )(resid   80 and  name HN   ) 4.0 2.2 1.0
assign (resid   77 and  name HA   )(resid   80 and  name HD2  ) 4.0 2.2 1.0
!H78
assign (resid   78 and  name HA   )(resid   81 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   78 and  name HA   )(resid   82 and  name HN   ) 4.0 2.2 1.0
assign (resid   78 and  name HE1  )(resid   82 and  name HG#  ) 4.0 3.2 2.0 !#
!R79
assign (resid   79 and  name HA   )(resid   82 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   79 and  name HA   )(resid   83 and  name HN   ) 4.0 2.2 1.0
assign (resid   79 and  name HA   )(resid   82 and  name HN   ) 4.0 2.2 1.0
!H80
assign (resid   80 and  name HA   )(resid   83 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   80 and  name HA   )(resid   84 and  name HN   ) 4.0 2.2 1.0
assign (resid   80 and  name HN   )(resid   82 and  name HN   ) 4.0 2.2 1.0
assign (resid   80 and  name HE1  )(resid   84 and  name HD#  ) 4.0 3.7 2.5 !#
assign (resid   80 and  name HE1  )(resid   83 and  name HD*  ) 3.0 3.6 2.7 !#
assign (resid   80 and  name HA   )(resid   83 and  name HD*  ) 4.0 4.6 3.4 !#
!K81
assign (resid   81 and  name HA   )(resid   84 and  name HB#  ) 4.0 2.2 1.0
assign (resid   81 and  name HA   )(resid   84 and  name HN   ) 4.0 2.2 1.0
assign (resid   81 and  name HA   )(resid   83 and  name HN   ) 4.0 2.2 1.0
assign (resid   81 and  name HN   )(resid   83 and  name HN   ) 4.0 2.2 1.0
assign (resid   81 and  name HA   )(resid   84 and  name HG2# ) 4.0 3.7 2.5 !#
!Q82
assign (resid   82 and  name HA   )(resid   85 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   82 and  name HA   )(resid   84 and  name HN   ) 4.0 2.2 1.0
assign (resid   82 and  name HN   )(resid   84 and  name HN   ) 4.0 2.2 1.0
assign (resid   82 and  name HA   )(resid   85 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   82 and  name HA   )(resid   85 and  name HD#  ) 3.0 2.2 1.3 !#
!L83
assign (resid   83 and  name HA   )(resid   86 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   83 and  name HA   )(resid   86 and  name HN   ) 4.0 2.2 1.0
assign (resid   83 and  name HA   )(resid   85 and  name HN   ) 4.0 2.2 1.0
assign (resid   83 and  name HN   )(resid   85 and  name HN   ) 4.0 2.2 1.0
assign (resid   83 and  name HA   )(resid   86 and  name HE#  ) 4.0 4.2 3.0 !#
assign (resid   83 and  name HA   )(resid   86 and  name HD#  ) 4.0 4.2 3.0 !#
!I84
assign (resid   84 and  name HA   )(resid   87 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   84 and  name HA   )(resid   88 and  name HN   ) 4.0 2.2 1.0
assign (resid   84 and  name HA   )(resid   87 and  name HN   ) 4.0 2.2 1.0
assign (resid   84 and  name HN   )(resid   86 and  name HN   ) 4.0 2.2 1.0
assign (resid   84 and  name HA   )(resid   87 and  name HD*  ) 3.0 3.6 2.7 !#
!R85
assign (resid   85 and  name HA   )(resid   88 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   85 and  name HN   )(resid   87 and  name HN   ) 4.0 2.2 1.0
!F86
assign (resid   86 and  name HA   )(resid   89 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   86 and  name HA   )(resid   90 and  name HN   ) 4.0 2.2 1.0
assign (resid   86 and  name HA   )(resid   89 and  name HN   ) 4.0 2.2 1.0
assign (resid   86 and  name HA   )(resid   88 and  name HN   ) 4.0 2.2 1.0
!L87
assign (resid   87 and  name HA   )(resid   90 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   87 and  name HN   )(resid   89 and  name HN   ) 4.0 2.2 1.0
assign (resid   87 and  name HA   )(resid   90 and  name HD*  ) 3.0 3.6 2.7 !#
!K88
assign (resid   88 and  name HA   )(resid   91 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   88 and  name HA   )(resid   92 and  name HN   ) 4.0 2.2 1.0
assign (resid   88 and  name HA   )(resid   91 and  name HN   ) 4.0 2.2 1.0
assign (resid   88 and  name HN   )(resid   90 and  name HN   ) 4.0 2.2 1.0
!R89
assign (resid   89 and  name HA   )(resid   92 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   89 and  name HA   )(resid   92 and  name HN   ) 4.0 2.2 1.0
assign (resid   89 and  name HN   )(resid   91 and  name HN   ) 4.0 2.2 1.0
!L90
assign (resid   90 and  name HA   )(resid   93 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   90 and  name HA   )(resid   93 and  name HN   ) 4.0 2.2 1.0
!D91
assign (resid   91 and  name HA   )(resid   94 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   91 and  name HA   )(resid   95 and  name HN   ) 4.0 2.2 1.0
assign (resid   91 and  name HA   )(resid   94 and  name HN   ) 4.0 2.2 1.0
assign (resid   91 and  name HA   )(resid   94 and  name HD*  ) 4.0 4.6 3.4 !#
!R92
assign (resid   92 and  name HA   )(resid   95 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   92 and  name HA   )(resid   95 and  name HN   ) 4.0 2.2 1.0
assign (resid   92 and  name HA   )(resid   94 and  name HN   ) 4.0 2.2 1.0
assign (resid   92 and  name HN   )(resid   94 and  name HN   ) 4.0 2.2 1.0
assign (resid   92 and  name HD#  )(resid   95 and  name HZ2  ) 4.0 3.2 2.0 !
!N93
assign (resid   93 and  name HA   )(resid   97 and  name HN   ) 4.0 2.2 1.0
assign (resid   93 and  name HA   )(resid   96 and  name HN   ) 4.0 2.2 1.0
assign (resid   93 and  name HA   )(resid   95 and  name HN   ) 4.0 2.2 1.0
assign (resid   93 and  name HN   )(resid   95 and  name HN   ) 4.0 2.2 1.0
!L94
assign (resid   94 and  name HA   )(resid   97 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   94 and  name HA   )(resid   97 and  name HN   ) 4.0 2.2 1.0
assign (resid   94 and  name HA   )(resid   97 and  name HD*  ) 4.0 4.6 3.4 !#
!W95
assign (resid   95 and  name HA   )(resid   98 and  name HB#  ) 4.0 3.7 2.5 !#
assign (resid   95 and  name HN   )(resid   97 and  name HN   ) 4.0 2.2 1.0
assign (resid   95 and  name HH2  )(resid   99 and  name HA#  ) 4.0 3.2 3.0 !#
assign (resid   95 and  name HE3  )(resid   98 and  name HB#  ) 4.0 3.7 2.5 !#
assign (resid   95 and  name HD1  )(resid   98 and  name HB#  ) 4.0 3.7 2.5 !#
!A98
assign (resid   98 and  name HB#  )(resid  100 and  name HD*  ) 2.5 4.6 4.1 ! !#
!L100
assign (resid  100 and  name HB#  )(resid  103 and  name HB#  ) 4.0 4.2 3.0 ! !#
assign (resid  100 and  name HD*  )(resid  103 and  name HB#  ) 4.0 5.6 4.4 ! !#
!C103
assign (resid  103 and  name HN   )(resid  105 and  name HN   ) 4.0 2.2 1.0
!E107
assign (resid  107 and  name HA   )(resid  109 and  name HN   ) 4.0 2.2 2.0
!D109
assign (resid  109 and  name HN   )(resid  111 and  name HN   ) 4.0 2.2 1.0
!Q110
assign (resid  110 and  name HB#  )(resid  112 and  name HG2# ) 4.0 4.7 3.5 ! !#
assign (resid  110 and  name HG#  )(resid  112 and  name HG2# ) 4.0 4.7 3.5 ! !#
!T112
assign (resid  112 and  name HB   )(resid  114 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  112 and  name HB   )(resid  114 and  name HG#  ) 4.0 3.2 2.0 !#
!L113
assign (resid  113 and  name HA   )(resid  116 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  113 and  name HG#  )(resid  117 and  name HD*  ) 3.0 3.6 2.7 !#
assign (resid  113 and  name HD*  )(resid  117 and  name HG   ) 3.0 3.6 2.7 !
assign (resid  113 and  name HD*  )(resid  116 and  name HB#  ) 4.0 5.6 4.4 ! !#
assign (resid  113 and  name HA   )(resid  116 and  name HD#  ) 4.0 4.2 3.0 !#
assign (resid  113 and  name HD*  )(resid  116 and  name HD#  ) 3.0 5.6 4.7 ! !#
assign (resid  113 and  name HD*  )(resid  116 and  name HE#  ) 3.0 5.6 4.7 ! !#
assign (resid  113 and  name HA   )(resid  116 and  name HD#  ) 2.5 2.7 2.2 !#
!E114
assign (resid  114 and  name HA   )(resid  117 and  name HB#  ) 4.0 3.2 2.0 !#
!N115
assign (resid  115 and  name HA   )(resid  118 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  115 and  name HA   )(resid  117 and  name HN   ) 4.0 2.2 1.0
assign (resid  115 and  name HN   )(resid  117 and  name HN   ) 4.0 2.2 1.0
assign (resid  115 and  name HA   )(resid  118 and  name HG#  ) 3.0 2.2 1.3 !#
!F116
assign (resid  116 and  name HA   )(resid  119 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  116 and  name HA   )(resid  120 and  name HN   ) 4.0 2.2 1.0
assign (resid  116 and  name HA   )(resid  119 and  name HN   ) 4.0 2.2 1.0
assign (resid  116 and  name HN   )(resid  118 and  name HN   ) 4.0 2.2 1.0
assign (resid  116 and  name HA   )(resid  119 and  name HG#  ) 3.0 2.2 1.3 !#
!L117
assign (resid  117 and  name HA   )(resid  120 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  117 and  name HA   )(resid  121 and  name HN   ) 4.0 2.2 1.0
assign (resid  117 and  name HN   )(resid  119 and  name HN   ) 4.0 2.2 1.0
assign (resid  117 and  name HA   )(resid  120 and  name HD*  ) 3.0 3.6 2.7 !#
assign (resid  117 and  name HB#  )(resid  120 and  name HD*  ) 4.0 5.6 4.4 ! !#
!E118
assign (resid  118 and  name HA   )(resid  122 and  name HN   ) 4.0 2.2 1.0
assign (resid  118 and  name HA   )(resid  121 and  name HN   ) 4.0 2.2 1.0
assign (resid  118 and  name HA   )(resid  120 and  name HN   ) 4.0 2.2 1.0
assign (resid  118 and  name HG#  )(resid  122 and  name HG2# ) 3.0 3.7 2.8 ! !#
!R119
assign (resid  119 and  name HA   )(resid  122 and  name HB#  ) 3.0 1.2 0.3
assign (resid  119 and  name HN   )(resid  121 and  name HN   ) 4.0 2.2 1.0
!L120
assign (resid  120 and  name HA   )(resid  123 and  name HB#  ) 3.0 1.2 0.3
assign (resid  120 and  name HA   )(resid  122 and  name HN   ) 4.4 2.6 1.0
assign (resid  120 and  name HN   )(resid  122 and  name HN   ) 4.0 2.2 1.0
!K121
assign (resid  121 and  name HA   )(resid  124 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  121 and  name HA   )(resid  125 and  name HN   ) 4.0 2.2 1.0
assign (resid  121 and  name HA   )(resid  124 and  name HN   ) 4.0 2.2 1.0
assign (resid  121 and  name HN   )(resid  123 and  name HN   ) 4.0 2.2 1.0
!T122
assign (resid  122 and  name HA   )(resid  125 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid  122 and  name HA   )(resid  126 and  name HN   ) 4.0 2.2 1.0
assign (resid  122 and  name HA   )(resid  125 and  name HN   ) 4.0 2.2 1.0
assign (resid  122 and  name HA   )(resid  124 and  name HN   ) 4.0 2.2 1.0
assign (resid  122 and  name HN   )(resid  124 and  name HN   ) 4.0 2.2 1.0
!I123
assign (resid  123 and  name HA   )(resid  126 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid  123 and  name HA   )(resid  126 and  name HN   ) 4.0 2.2 1.0
assign (resid  123 and  name HN   )(resid  125 and  name HN   ) 4.0 2.2 1.0
!M124
assign (resid  124 and  name HA   )(resid  127 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  124 and  name HA   )(resid  128 and  name HN   ) 4.0 2.2 1.0
assign (resid  124 and  name HA   )(resid  127 and  name HN   ) 4.0 2.2 1.0
assign (resid  124 and  name HN   )(resid  126 and  name HN   ) 4.0 2.2 1.0
assign (resid  124 and  name HA   )(resid  128 and  name HD#  ) 3.0 3.2 2.3 !#
assign (resid  124 and  name HE#  )(resid  128 and  name HD#  ) 3.0 4.7 3.8 ! !#
assign (resid  124 and  name HB#  )(resid  128 and  name HD#  ) 3.0 4.2 3.3 ! !#
assign (resid  124 and  name HA   )(resid  128 and  name HE#  ) 4.0 4.2 3.0 !#
assign (resid  124 and  name HE#  )(resid  128 and  name HE#  ) 4.0 5.7 4.5 ! !#
assign (resid  124 and  name HB#  )(resid  128 and  name HE#  ) 4.0 5.2 4.0 ! !#
!R125
assign (resid  125 and  name HA   )(resid  128 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  125 and  name HA   )(resid  128 and  name HN   ) 4.0 2.2 1.0
assign (resid  125 and  name HA   )(resid  127 and  name HN   ) 4.0 2.2 1.0
!K127
assign (resid  127 and  name HA   )(resid  130 and  name HB#  ) 4.0 3.2 2.0 !#
!S129
assign (resid  129 and  name HN   )(resid  131 and  name HN   ) 4.0 2.2 1.0





!!Long range NOEs |i-j > 5
!T10
assign (resid   10 and  name HG2# )(resid   97 and  name HD*  ) 3.0 5.1 4.2 ! !#
assign (resid   10 and  name HB   )(resid   97 and  name HD*  ) 3.0 3.6 2.7 !#
assign (resid   10 and  name HA   )(resid   97 and  name HD*  ) 4.0 4.6 2.7 !#
assign (resid   10 and  name HG2# )(resid   93 and  name HA   ) 3.0 2.7 1.8 !
assign (resid   10 and  name HG2# )(resid   93 and  name HB#  ) 3.0 3.7 2.8 ! !#
!L11
assign (resid   11 and  name HD*  )(resid   46 and  name HB#  ) 4.0 5.6 4.4 ! !#
assign (resid   11 and  name HD*  )(resid  124 and  name HE#  ) 3.0 5.1 4.2 ! !#
assign (resid   11 and  name HG   )(resid  128 and  name HD#  ) 3.0 3.2 2.3 !#
assign (resid   11 and  name HB#  )(resid  128 and  name HD#  ) 3.0 4.2 3.3 ! !#
assign (resid   11 and  name HD*  )(resid  128 and  name HD#  ) 3.0 5.6 4.7 ! !#
assign (resid   11 and  name HD*  )(resid  128 and  name HA   ) 4.0 4.6 3.4 !
assign (resid   11 and  name HD*  )(resid  128 and  name HB#  ) 3.0 4.6 3.7 ! !#
assign (resid   11 and  name HD*  )(resid  128 and  name HE#  ) 4.0 6.6 5.4 ! !#
!I14
assign (resid   14 and  name HA   )(resid   90 and  name HD*  ) 3.0 3.6 2.7 !#
assign (resid   14 and  name HG11 )(resid   90 and  name HA   ) 4.0 3.2 2.0 !
assign (resid   14 and  name HG11 )(resid   93 and  name HB#  ) 4.0 4.2 3.0 ! !#
assign (resid   14 and  name HG12 )(resid   93 and  name HB#  ) 4.0 4.2 3.0 ! !#
assign (resid   14 and  name HD#  )(resid   93 and  name HB#  ) 3.0 3.7 2.8 ! !#
assign (resid   14 and  name HD#  )(resid   97 and  name HB#  ) 3.0 3.7 2.8 ! !#
assign (resid   14 and  name HG2# )(resid  124 and  name HE#  ) 3.0 4.2 3.3 ! !#
assign (resid   14 and  name HG2# )(resid  124 and  name HB#  ) 3.0 3.7 2.8 ! !#
assign (resid   14 and  name HG2# )(resid  124 and  name HG#  ) 3.0 3.7 2.8 ! !#
!I15
assign (resid   15 and  name HG1# )(resid  124 and  name HA   ) 3.0 2.2 1.3 !
assign (resid   15 and  name HD#  )(resid  124 and  name HB#  ) 4.0 4.7 3.5 ! !#
assign (resid   15 and  name HG2# )(resid  124 and  name HB#  ) 4.0 4.7 3.5 ! !#
assign (resid   15 and  name HG1# )(resid  124 and  name HG#  ) 3.0 3.2 2.3 ! !#
assign (resid   15 and  name HG1# )(resid  124 and  name HE#  ) 3.0 3.7 2.8 ! !#
assign (resid   15 and  name HD#  )(resid  124 and  name HE#  ) 3.0 4.2 3.3 ! !#
assign (resid   15 and  name HD#  )(resid  128 and  name HB#  ) 3.0 3.7 2.8 ! !#
assign (resid   15 and  name HD#  )(resid  128 and  name HD#  ) 3.0 4.7 3.8 ! !#
assign (resid   15 and  name HG1# )(resid  128 and  name HD#  ) 4.0 5.2 4.0 ! !#
assign (resid   15 and  name HG2# )(resid  128 and  name HD#  ) 3.0 4.7 3.8 ! !#
assign (resid   15 and  name HG1# )(resid  128 and  name HE#  ) 4.0 5.2 4.0 ! !#
assign (resid   15 and  name HG2# )(resid  128 and  name HE#  ) 4.0 5.7 4.5 ! !#
!T17
assign (resid   17 and  name HA   )(resid   86 and  name HD#  ) 3.0 3.2 2.3 !#
assign (resid   17 and  name HA   )(resid   86 and  name HE#  ) 3.0 3.2 2.3 !#
assign (resid   17 and  name HG2# )(resid   89 and  name HE   ) 3.0 3.7 2.8 ! !#
assign (resid   17 and  name HG2# )(resid   89 and  name HB#  ) 3.0 3.7 2.8 ! !#
assign (resid   17 and  name HG2# )(resid   89 and  name HG1# ) 3.0 3.7 2.8 ! !#
assign (resid   17 and  name HG2# )(resid   86 and  name HA   ) 3.0 2.7 1.8 !
assign (resid   17 and  name HG2# )(resid   86 and  name HB#  ) 3.0 3.7 2.8 ! !#
assign (resid   17 and  name HG2# )(resid   90 and  name HA   ) 4.0 3.7 2.5 !
assign (resid   17 and  name HB   )(resid   90 and  name HD*  ) 2.5 3.1 2.6 !#
!L18
assign (resid   18 and  name HA   )(resid   86 and  name HE#  ) 4.0 4.2 4.0 !#
assign (resid   18 and  name HD*  )(resid  120 and  name HA   ) 3.0 3.6 2.7 !
assign (resid   18 and  name HD*  )(resid  120 and  name HG   ) 3.0 3.6 2.7 !
assign (resid   18 and  name HD*  )(resid  120 and  name HD*  ) 3.0 6.0 5.1 ! !#
assign (resid   18 and  name HD*  )(resid  124 and  name HA   ) 4.0 4.6 3.4 !
assign (resid   18 and  name HD*  )(resid  124 and  name HB#  ) 4.0 5.6 4.4 ! !#
assign (resid   18 and  name HD*  )(resid  124 and  name HG#  ) 3.0 4.6 3.7 ! !#
assign (resid   18 and  name HG   )(resid  124 and  name HG#  ) 3.0 2.2 1.3 !#
assign (resid   18 and  name HA   )(resid  124 and  name HE#  ) 3.0 2.7 1.8 !#
assign (resid   18 and  name HD*  )(resid  124 and  name HE#  ) 3.0 5.1 4.2 ! !#
assign (resid   18 and  name HD*  )(resid  121 and  name HA   ) 3.0 3.6 2.7 !
!L21
assign (resid   21 and  name HB#  )(resid   59 and  name HD*  ) 4.0 5.2 4.0 ! !#
assign (resid   21 and  name HA   )(resid   83 and  name HD*  ) 4.0 4.6 3.4 !#
assign (resid   21 and  name HD*  )(resid   86 and  name HD#  ) 4.0 6.6 5.4 ! !#
assign (resid   21 and  name HD*  )(resid   86 and  name HA   ) 4.0 4.6 3.4 !
assign (resid   21 and  name HD1# )(resid   86 and  name HB#  ) 4.0 4.7 3.5 ! !#
assign (resid   21 and  name HD2# )(resid   86 and  name HB#  ) 4.0 4.7 3.5 ! !#
!L27
assign (resid   27 and  name HD*  )(resid   71 and  name HA#  ) 4.0 5.6 5.4 ! !#
!C28
assign (resid   28 and  name HB#  )(resid   80 and  name HE1  ) 4.0 3.2 2.0 !
assign (resid   28 and  name HB#  )(resid   83 and  name HD*  ) 3.0 4.6 3.7 ! !#
!T29
assign (resid   29 and  name HA   )(resid  113 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   29 and  name HA   )(resid  113 and  name HD*  ) 3.0 3.6 2.7 !#
assign (resid   29 and  name HB   )(resid  114 and  name HA   ) 3.0 1.2 0.3
assign (resid   29 and  name HB   )(resid  114 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   29 and  name HB   )(resid  114 and  name HG#  ) 3.0 2.2 1.3 !#
assign (resid   29 and  name HB   )(resid  113 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   29 and  name HB   )(resid  113 and  name HD*  ) 3.0 3.6 2.7 !#
assign (resid   29 and  name HG2# )(resid  113 and  name HD*  ) 3.0 5.1 4.2 ! !#
assign (resid   29 and  name HG2# )(resid   83 and  name HD1# ) 4.0 5.2 4.0 ! !#
assign (resid   29 and  name HG2# )(resid   83 and  name HD2# ) 4.0 5.2 4.0 ! !#
!L31
assign (resid   31 and  name HD*  )(resid   63 and  name HD2  ) 4.0 4.6 3.4 !
assign (resid   31 and  name HD1# )(resid   63 and  name HE1  ) 4.0 3.7 2.5 !
assign (resid   31 and  name HD2# )(resid   63 and  name HE1  ) 4.0 3.7 2.5 !
!T32
assign (resid   32 and  name HA   )(resid  112 and  name HB   ) 4.0 2.2 1.0
assign (resid   32 and  name HA   )(resid  112 and  name HA   ) 2.5 0.7 0.2
assign (resid   32 and  name HA   )(resid  112 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid   32 and  name HA   )(resid  110 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   32 and  name HB   )(resid  110 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   32 and  name HB   )(resid  110 and  name HG#  ) 3.0 2.2 1.3 !#
assign (resid   32 and  name HG2# )(resid  112 and  name HB   ) 3.0 2.7 1.8 !
assign (resid   32 and  name HG2# )(resid  112 and  name HA   ) 3.0 2.7 1.8 !
assign (resid   32 and  name HG2# )(resid  110 and  name HG#  ) 3.0 3.7 2.8 ! !#
assign (resid   32 and  name HG2# )(resid  110 and  name HB#  ) 3.0 3.7 2.8 ! !#
!V33
assign (resid   33 and  name HN   )(resid  112 and  name HA   ) 3.3 0.8 0.2
assign (resid   33 and  name HN   )(resid  111 and  name HN   ) 3.3 0.8 0.2
assign (resid   33 and  name HG1# )(resid  113 and  name HA   ) 3.0 2.7 1.8 !
assign (resid   33 and  name HG2# )(resid  113 and  name HA   ) 3.0 2.7 1.8 !
assign (resid   33 and  name HG*  )(resid  111 and  name HB#  ) 4.0 5.6 4.4 ! !#
assign (resid   33 and  name HG*  )(resid  116 and  name HB#  ) 3.0 4.6 3.7 ! !#
assign (resid   33 and  name HA   )(resid   55 and  name HG*  ) 3.0 3.6 2.7 !#
assign (resid   33 and  name HB   )(resid   55 and  name HG*  ) 2.5 3.1 2.6 !#
assign (resid   33 and  name HG*  )(resid   55 and  name HG1# ) 3.0 5.1 4.2 ! !#
assign (resid   33 and  name HG*  )(resid   55 and  name HG2# ) 3.0 5.1 4.2 ! !#
assign (resid   33 and  name HG*  )(resid   59 and  name HB#  ) 4.0 5.6 4.4 ! !#
assign (resid   33 and  name HG*  )(resid  116 and  name HD#  ) 3.0 5.6 4.7 ! !#
!T34
assign (resid   34 and  name HA   )(resid  111 and  name HN   ) 3.3 0.8 0.2
assign (resid   34 and  name HA   )(resid  110 and  name HA   ) 3.0 1.2 0.3
assign (resid   34 and  name HA   )(resid  110 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   34 and  name HA   )(resid  110 and  name HB#  ) 4.0 3.2 2.0 !#
!D35
assign (resid   35 and  name HA   )(resid  116 and  name HD#  ) 3.0 3.2 2.3 !#
assign (resid   35 and  name HA   )(resid  111 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   35 and  name HB1  )(resid  111 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   35 and  name HB2  )(resid  111 and  name HB#  ) 3.0 2.2 1.3 !#
!I36
assign (resid   36 and  name HA   )(resid  107 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   36 and  name HA   )(resid  108 and  name HB#  ) 3.0 2.7 1.8 !#
assign (resid   36 and  name HD#  )(resid   48 and  name HA   ) 3.0 2.7 1.8 !
assign (resid   36 and  name HG1# )(resid   48 and  name HG2# ) 3.0 3.7 2.8 ! !#
assign (resid   36 and  name HD#  )(resid   48 and  name HG2# ) 3.0 4.2 3.3 ! !#
assign (resid   36 and  name HG2# )(resid   51 and  name HB#  ) 4.0 4.7 3.5 ! !#
assign (resid   36 and  name HG2# )(resid   52 and  name HA   ) 4.0 3.7 2.5 !
assign (resid   36 and  name HG2# )(resid   52 and  name HB#  ) 3.0 4.2 3.3 ! !#
assign (resid   36 and  name HG1# )(resid   52 and  name HA   ) 4.0 3.2 2.0 !
assign (resid   36 and  name HD#  )(resid   52 and  name HA#  ) 3.0 2.7 1.8 !
assign (resid   36 and  name HD#  )(resid   52 and  name HB#  ) 3.0 4.2 3.3 ! !#
assign (resid   36 and  name HG1# )(resid   52 and  name HB#  ) 3.0 3.7 2.8 ! !#
assign (resid   36 and  name HG1# )(resid   37 and  name HA   ) 4.0 3.2 2.0 !
!F37
assign (resid   37 and  name HZ   )(resid  123 and  name HD#  ) 4.0 3.7 2.5 !#
assign (resid   37 and  name HZ   )(resid  123 and  name HG1# ) 3.0 2.2 1.3 !#
assign (resid   37 and  name HZ   )(resid  123 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   37 and  name HZ   )(resid   48 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   37 and  name HZ   )(resid  120 and  name HA   ) 4.0 2.2 1.0
assign (resid   37 and  name HZ   )(resid  120 and  name HG   ) 4.0 2.2 1.0
assign (resid   37 and  name HZ   )(resid  120 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   37 and  name HZ   )(resid  120 and  name HD*  ) 4.0 4.6 3.4 !#
assign (resid   37 and  name HZ   )(resid  123 and  name HD#  ) 4.0 3.7 2.5 !#
assign (resid   37 and  name HE#  )(resid  123 and  name HD#  ) 4.0 5.7 4.5 ! !#
assign (resid   37 and  name HE#  )(resid  116 and  name HA   ) 3.0 3.2 2.3 !
assign (resid   37 and  name HE#  )(resid  120 and  name HA   ) 3.0 3.2 2.3 !
assign (resid   37 and  name HE#  )(resid  123 and  name HG1# ) 4.0 5.2 4.0 ! !#
assign (resid   37 and  name HE#  )(resid  123 and  name HG2# ) 4.0 5.7 4.5 ! !#
assign (resid   37 and  name HE#  )(resid   48 and  name HB   ) 4.0 4.2 3.0 !
assign (resid   37 and  name HE#  )(resid   48 and  name HG2# ) 3.0 4.7 3.8 ! !#
assign (resid   37 and  name HE#  )(resid  120 and  name HB#  ) 4.0 5.2 4.0 ! !#
assign (resid   37 and  name HD#  )(resid  116 and  name HA   ) 4.0 4.2 3.0 !
assign (resid   37 and  name HD#  )(resid  123 and  name HG1# ) 3.0 4.2 3.3 ! !#
assign (resid   37 and  name HD#  )(resid   48 and  name HG2# ) 4.0 5.7 4.5 ! !#
assign (resid   37 and  name HD#  )(resid  120 and  name HB#  ) 4.0 5.2 4.0 ! !#
assign (resid   37 and  name HD#  )(resid  120 and  name HG   ) 4.0 4.2 3.0 !
assign (resid   37 and  name HD#  )(resid  120 and  name HD*  ) 4.0 6.6 5.4 ! !#
!T43
assign (resid   43 and  name HG2# )(resid   51 and  name HD#  ) 3.0 3.7 2.8 ! !#
!E45
assign (resid   45 and  name HG#  )(resid   98 and  name HA   ) 4.0 3.2 2.0 !
!K46
assign (resid   46 and  name HA   )(resid   98 and  name HA   ) 4.0 2.2 1.0
assign (resid   46 and  name HG#  )(resid   98 and  name HA   ) 4.0 3.2 2.0 !
!F49
assign (resid   49 and  name HD#  )(resid   95 and  name HA   ) 3.0 3.2 2.3 !
assign (resid   49 and  name HD#  )(resid   94 and  name HD*  ) 4.0 6.6 5.4 ! !#
assign (resid   49 and  name HD#  )(resid  124 and  name HE#  ) 3.0 4.7 3.8 ! !#
assign (resid   49 and  name HD#  )(resid   97 and  name HD*  ) 3.0 5.6 4.7 ! !#
assign (resid   49 and  name HA   )(resid   94 and  name HD*  ) 3.0 3.6 2.7 !#
assign (resid   49 and  name HD#  )(resid   94 and  name HG   ) 3.0 3.2 2.3 !
assign (resid   49 and  name HB#  )(resid   98 and  name HB#  ) 3.0 3.7 2.8 ! !#
assign (resid   49 and  name HB#  )(resid   94 and  name HD*  ) 4.0 5.6 4.4 ! !#
assign (resid   49 and  name HZ   )(resid  124 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid   49 and  name HE#  )(resid  124 and  name HE#  ) 3.0 4.7 3.8 ! !#
!C50
assign (resid   50 and  name HA   )(resid   95 and  name HE3  ) 4.0 2.2 1.0
assign (resid   50 and  name HA   )(resid   95 and  name HD1  ) 4.0 2.2 1.0
assign (resid   50 and  name HB#  )(resid   98 and  name HB#  ) 3.0 3.7 2.8 ! !#
!R51
assign (resid   51 and  name HA   )(resid  105 and  name HG*  ) 3.0 3.6 2.7 !#
assign (resid   51 and  name HB#  )(resid  105 and  name HG*  ) 4.0 5.6 4.4 ! !#
assign (resid   51 and  name HG#  )(resid  105 and  name HG*  ) 4.0 5.6 4.4 ! !#
!A52
assign (resid   52 and  name HA   )(resid  116 and  name HD#  ) 4.0 4.2 3.0 !#
assign (resid   52 and  name HB#  )(resid  116 and  name HD#  ) 3.0 4.7 3.8 ! !#
assign (resid   52 and  name HA   )(resid  116 and  name HZ   ) 4.0 2.2 1.0
assign (resid   52 and  name HB#  )(resid  116 and  name HZ   ) 3.0 2.7 1.8 !
!A53
assign (resid   53 and  name HA   )(resid   91 and  name HA   ) 4.0 2.2 1.0
assign (resid   53 and  name HB#  )(resid   91 and  name HA   ) 4.0 3.7 2.5 !
assign (resid   53 and  name HB#  )(resid   95 and  name HB#  ) 4.0 4.7 3.5 ! !#
assign (resid   53 and  name HB#  )(resid   95 and  name HE3  ) 4.0 3.7 2.5 !
!T54
assign (resid   54 and  name HB   )(resid  105 and  name HG1# ) 4.0 3.7 2.5 !#
assign (resid   54 and  name HB   )(resid  105 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   54 and  name HB   )(resid  105 and  name HB   ) 4.0 2.2 1.0
assign (resid   54 and  name HG2# )(resid  105 and  name HG1# ) 3.0 4.2 3.3 ! !#
assign (resid   54 and  name HG2# )(resid  105 and  name HG2# ) 3.0 4.2 3.3 ! !#
assign (resid   54 and  name HG2# )(resid  105 and  name HB   ) 3.0 2.7 1.8 !
!V55
assign (resid   55 and  name HB#  )(resid  116 and  name HD#  ) 4.0 4.2 3.0 !#
assign (resid   55 and  name HG*  )(resid  116 and  name HD#  ) 3.0 5.6 4.7 ! !#
assign (resid   55 and  name HA   )(resid  105 and  name HG*  ) 4.0 4.6 3.4 !#
assign (resid   55 and  name HG*  )(resid  105 and  name HB   ) 3.0 3.6 2.7 !
!L56
assign (resid   56 and  name HD*  )(resid  116 and  name HZ   ) 2.5 3.1 2.6 !
assign (resid   56 and  name HD*  )(resid  116 and  name HD#  ) 4.0 6.6 5.4 ! !#
assign (resid   56 and  name HD*  )(resid  113 and  name HD1# ) 4.0 6.1 4.9 ! !#
assign (resid   56 and  name HD*  )(resid  113 and  name HD2# ) 4.0 6.1 4.9 ! !#
assign (resid   56 and  name HD*  )(resid   91 and  name HA   ) 4.0 4.6 3.4 !
assign (resid   56 and  name HD*  )(resid   90 and  name HG   ) 3.0 3.6 2.7 !
assign (resid   56 and  name HD*  )(resid   90 and  name HB#  ) 3.0 4.6 3.7 ! !#
!F59
assign (resid   59 and  name HD#  )(resid   87 and  name HD*  ) 3.0 5.6 4.7 ! !#
assign (resid   59 and  name HD#  )(resid  113 and  name HD1# ) 3.0 4.7 3.8 ! !#
assign (resid   59 and  name HD#  )(resid  113 and  name HD2# ) 3.0 4.7 3.7 ! !#
assign (resid   59 and  name HD#  )(resid   87 and  name HB#  ) 4.0 5.2 4.0 ! !#
!Y60
assign (resid   60 and  name HD#  )(resid   88 and  name HA   ) 3.0 3.2 2.3 !
assign (resid   60 and  name HD#  )(resid   88 and  name HE#  ) 3.0 4.2 3.3 ! !#
assign (resid   60 and  name HD#  )(resid   88 and  name HB#  ) 3.0 4.2 3.3 ! !#
assign (resid   60 and  name HD#  )(resid   91 and  name HB#  ) 4.0 5.2 4.0 ! !#
assign (resid   60 and  name HE#  )(resid   91 and  name HB#  ) 3.0 4.2 3.3 ! !#
assign (resid   60 and  name HE#  )(resid   88 and  name HE#  ) 4.0 5.2 4.0 ! !#
assign (resid   60 and  name HE#  )(resid   88 and  name HA   ) 3.0 3.2 2.3 !
assign (resid   60 and  name HE#  )(resid   91 and  name HB#  ) 3.0 4.2 3.3 ! !#
assign (resid   60 and  name HD#  )(resid   87 and  name HB#  ) 3.0 4.2 3.3 ! !#
assign (resid   60 and  name HD#  )(resid   84 and  name HG2# ) 3.0 4.7 3.8 ! !#
assign (resid   60 and  name HD#  )(resid   87 and  name HD*  ) 4.0 6.6 5.4 ! !#
assign (resid   60 and  name HA   )(resid   87 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   60 and  name HA   )(resid   87 and  name HD*  ) 3.0 3.6 2.7 !#
assign (resid   60 and  name HA   )(resid   84 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   60 and  name HA   )(resid   84 and  name HD#  ) 3.0 2.7 1.8 !#
assign (resid   60 and  name HB#  )(resid   87 and  name HD*  ) 3.0 4.6 3.7 ! !#
assign (resid   60 and  name HB#  )(resid   84 and  name HG2# ) 4.0 4.7 3.5 ! !#
assign (resid   60 and  name HB#  )(resid   84 and  name HD#  ) 4.0 4.7 3.5 ! !#
!E64
assign (resid   64 and  name HB#  )(resid   80 and  name HE1  ) 4.0 3.2 2.0 !
assign (resid   64 and  name HG#  )(resid   80 and  name HE1  ) 4.0 3.2 2.0 !
assign (resid   64 and  name HA   )(resid   84 and  name HG1# ) 3.0 2.2 1.3 !#
assign (resid   64 and  name HA   )(resid   84 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid   64 and  name HA   )(resid   84 and  name HD#  ) 3.0 2.7 1.8 !#
assign (resid   64 and  name HB1  )(resid   84 and  name HG1# ) 4.0 3.2 2.0 !#
assign (resid   64 and  name HB1  )(resid   84 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid   64 and  name HB2  )(resid   84 and  name HG1# ) 4.0 3.2 2.0 !#
assign (resid   64 and  name HB2  )(resid   84 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid   64 and  name HB#  )(resid   83 and  name HD#  ) 4.0 5.6 4.4 ! !#
assign (resid   64 and  name HG#  )(resid   84 and  name HG1# ) 3.0 3.2 2.3 ! !#
assign (resid   64 and  name HG#  )(resid   84 and  name HG2# ) 3.0 3.7 2.8 ! !#
!C69
assign (resid   69 and  name HB#  )(resid   80 and  name HE1  ) 3.0 2.2 1.3 !
!L70
assign (resid   70 and  name HA   )(resid   77 and  name HA   ) 4.0 2.2 1.0
assign (resid   70 and  name HA   )(resid   80 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   70 and  name HD*  )(resid   77 and  name HA   ) 3.0 3.6 2.7 !
assign (resid   70 and  name HD*  )(resid   80 and  name HB#  ) 3.0 4.6 3.7 ! !#
assign (resid   70 and  name HD#  )(resid   80 and  name HD2  ) 3.0 3.6 2.7 !
assign (resid   70 and  name HA   )(resid   80 and  name HD2  ) 4.0 2.2 1.0
!L94
assign (resid   94 and  name HD*  )(resid  124 and  name HE*  ) 4.0 6.1 4.9 ! !#
!W95
assign (resid   95 and  name HZ2  )(resid  101 and  name HA   ) 4.0 2.2 1.0
assign (resid   95 and  name HH2  )(resid  101 and  name HA   ) 4.0 2.2 1.0


!!h-bond restraints

!I9

assign (resid 9 and name o)  (resid 13 and name hn) 1.8 0.3 0.5
assign (resid 9 and name o)  (resid 13 and name n) 2.8 0.4 0.5

!T10

assign (resid 10 and name o)  (resid 14 and name hn) 1.8 0.3 0.5
assign (resid 10 and name o)  (resid 14 and name n) 2.8 0.4 0.5

!L11

assign (resid 11 and name o)  (resid 15 and name hn) 1.8 0.3 0.5
assign (resid 11 and name o)  (resid 15 and name n) 2.8 0.4 0.5

!Q12
assign (resid 12 and name o)  (resid 16 and name hn) 1.8 0.3 0.5
assign (resid 12 and name o)  (resid 16 and name n) 2.8 0.4 0.5

!E13

assign (resid 13 and name o)  (resid 17 and name hn) 1.8 0.3 0.5
assign (resid 13 and name o)  (resid 17 and name n) 2.8 0.4 0.5

!I14

assign (resid 14 and name o)  (resid 18 and name hn) 1.8 0.3 0.5
assign (resid 14 and name o)  (resid 18 and name n) 2.8 0.4 0.5

!I15

assign (resid 15 and name o)  (resid 19 and name hn) 1.8 0.3 0.5
assign (resid 15 and name o)  (resid 19 and name n) 2.8 0.4 0.5

!K16

assign (resid 16 and name o)  (resid 20 and name hn) 1.8 0.3 0.5
assign (resid 16 and name o)  (resid 20 and name n) 2.8 0.4 0.5

!T17

assign (resid 17 and name o)  (resid 21 and name hn) 1.8 0.3 0.5
assign (resid 17 and name o)  (resid 21 and name n) 2.8 0.4 0.5


!V33

assign (resid 33 and name o) (resid 111 and name n) 2.8 0.4 0.5
assign (resid 33 and name o) (resid 111 and name hn) 1.8 0.3 0.5


!E45

assign (resid 45 and name o)  (resid 49 and name hn) 1.8 0.3 0.5
assign (resid 45 and name o)  (resid 49 and name n) 2.8 0.4 0.5

!K46

assign (resid 46 and name o)  (resid 50 and name hn) 1.8 0.3 0.5
assign (resid 46 and name o)  (resid 50 and name n) 2.8 0.4 0.5

!E47

assign (resid 47 and name o)  (resid 51 and name hn) 1.8 0.3 0.5
assign (resid 47 and name o)  (resid 51 and name n) 2.8 0.4 0.5

!T48

assign (resid 48 and name o)  (resid 52 and name hn) 1.8 0.3 0.5
assign (resid 48 and name o)  (resid 52 and name n) 2.8 0.4 0.5

!F49

assign (resid 49 and name o)  (resid 53 and name hn) 1.8 0.3 0.5
assign (resid 49 and name o)  (resid 53 and name n) 2.8 0.4 0.5

!C50

assign (resid 50 and name o)  (resid 54 and name hn) 1.8 0.3 0.5
assign (resid 50 and name o)  (resid 54 and name n) 2.8 0.4 0.5

!R51

assign (resid 51 and name o)  (resid 55 and name hn) 1.8 0.3 0.5
assign (resid 51 and name o)  (resid 55 and name n) 2.8 0.4 0.5

!A52

assign (resid 52 and name o)  (resid 56 and name hn) 1.8 0.3 0.5
assign (resid 52 and name o)  (resid 56 and name n) 2.8 0.4 0.5

!A53

assign (resid 53 and name o)  (resid 57 and name hn) 1.8 0.3 0.5
assign (resid 53 and name o)  (resid 57 and name n) 2.8 0.4 0.5

!T54

assign (resid 54 and name o)  (resid 58 and name hn) 1.8 0.3 0.5
assign (resid 54 and name o)  (resid 58 and name n) 2.8 0.4 0.5

!V55

assign (resid 55 and name o)  (resid 59 and name hn) 1.8 0.3 0.5
assign (resid 55 and name o)  (resid 59 and name n) 2.8 0.4 0.5

!L56

assign (resid 56 and name o)  (resid 60 and name hn) 1.8 0.3 0.5
assign (resid 56 and name o)  (resid 60 and name n) 2.8 0.4 0.5

!R57

assign (resid 57 and name o)  (resid 61 and name hn) 1.8 0.3 0.5
assign (resid 57 and name o)  (resid 61 and name n) 2.8 0.4 0.5

!Q75

assign (resid 75 and name o)  (resid 79 and name hn) 1.8 0.3 0.5
assign (resid 75 and name o)  (resid 79 and name n) 2.8 0.4 0.5

!Q76

assign (resid 76 and name o)  (resid 80 and name hn) 1.8 0.3 0.5
assign (resid 76 and name o)  (resid 80 and name n) 2.8 0.4 0.5

!F77

assign (resid 77 and name o)  (resid 81 and name hn) 1.8 0.3 0.5
assign (resid 77 and name o)  (resid 81 and name n) 2.8 0.4 0.5


!H80

assign (resid 80 and name o)  (resid 84 and name hn) 1.8 0.3 0.5
assign (resid 80 and name o)  (resid 84 and name n) 2.8 0.4 0.5


!Q82

assign (resid 82 and name o)  (resid 86 and name hn) 1.8 0.3 0.5
assign (resid 82 and name o)  (resid 86 and name n) 2.8 0.4 0.5

!L83

assign (resid 83 and name o)  (resid 87 and name hn) 1.8 0.3 0.5
assign (resid 83 and name o)  (resid 87 and name n) 2.8 0.4 0.5

!I84

assign (resid 84 and name o)  (resid 88 and name hn) 1.8 0.3 0.5
assign (resid 84 and name o)  (resid 88 and name n) 2.8 0.4 0.5

!R85

assign (resid 85 and name o)  (resid 89 and name hn) 1.8 0.3 0.5
assign (resid 85 and name o)  (resid 89 and name n) 2.8 0.4 0.5

!F86

assign (resid 86 and name o)  (resid 90 and name hn) 1.8 0.3 0.5
assign (resid 86 and name o)  (resid 90 and name n) 2.8 0.4 0.5

!L87

assign (resid 87 and name o)  (resid 91 and name hn) 1.8 0.3 0.5
assign (resid 87 and name o)  (resid 91 and name n) 2.8 0.4 0.5

!R89

assign (resid 89 and name o)  (resid 93 and name hn) 1.8 0.3 0.5
assign (resid 89 and name o)  (resid 93 and name n) 2.8 0.4 0.5

!L90

assign (resid 90 and name o)  (resid 94 and name hn) 1.8 0.3 0.5
assign (resid 90 and name o)  (resid 94 and name n) 2.8 0.4 0.5

!R92

assign (resid 92 and name o)  (resid 96 and name hn) 1.8 0.3 0.5
assign (resid 92 and name o)  (resid 96 and name n) 2.8 0.4 0.5

!S111

assign (resid 111 and name o) (resid 33 and name n) 2.8 0.4 0.5
assign (resid 111 and name o) (resid 33 and name hn) 1.8 0.3 0.5

!L113

assign (resid 113 and name o)  (resid 117 and name hn) 1.8 0.3 0.5
assign (resid 113 and name o)  (resid 117 and name n) 2.8 0.4 0.5`

!E114

assign (resid 114 and name o)  (resid 118 and name hn) 1.8 0.3 0.5
assign (resid 114 and name o)  (resid 118 and name n) 2.8 0.4 0.5

!N115

assign (resid 115 and name o)  (resid 119 and name hn) 1.8 0.3 0.5
assign (resid 115 and name o)  (resid 119 and name n) 2.8 0.4 0.5

!F116

assign (resid 116 and name o)  (resid 120 and name hn) 1.8 0.3 0.5
assign (resid 116 and name o)  (resid 120 and name n) 2.8 0.4 0.5

!L117

assign (resid 117 and name o)  (resid 121 and name hn) 1.8 0.3 0.5
assign (resid 117 and name o)  (resid 121 and name n) 2.8 0.4 0.5

!E118

assign (resid 118 and name o)  (resid 122 and name hn) 1.8 0.3 0.5
assign (resid 118 and name o)  (resid 122 and name n) 2.8 0.4 0.5

!R119

assign (resid 119 and name o)  (resid 123 and name hn) 1.8 0.3 0.5
assign (resid 119 and name o)  (resid 123 and name n) 2.8 0.4 0.5

!L120

assign (resid 120 and name o)  (resid 124 and name hn) 1.8 0.3 0.5
assign (resid 120 and name o)  (resid 124 and name n) 2.8 0.4 0.5

!K121

assign (resid 121 and name o)  (resid 125 and name hn) 1.8 0.3 0.5
assign (resid 121 and name o)  (resid 125 and name n) 2.8 0.4 0.5

!T122

assign (resid 122 and name o)  (resid 126 and name hn) 1.8 0.3 0.5
assign (resid 122 and name o)  (resid 126 and name n) 2.8 0.4 0.5

!I123

assign (resid 123 and name o)  (resid 127 and name hn) 1.8 0.3 0.5
assign (resid 123 and name o)  (resid 127 and name n) 2.8 0.4 0.5

!M124

assign (resid 124 and name o)  (resid 128 and name hn) 1.8 0.3 0.5
assign (resid 124 and name o)  (resid 128 and name n) 2.8 0.4 0.5





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.


!! Phi restraints:

  !!    8
 assign (resid   7 and name c )   (resid   8 and name n ) 
        (resid   8 and name ca)   (resid   8 and name c )  1.0 -50.0 40.0 2
  !!    9
 assign (resid   8 and name c )   (resid   9 and name n ) 
        (resid   9 and name ca)   (resid   9 and name c )  1.0 -50.0 40.0 2
  !!    10
 assign (resid   9 and name c )   (resid   10 and name n ) 
        (resid   10 and name ca)   (resid   10 and name c )  1.0 -50.0 40.0 2
  !!    11
 assign (resid   10 and name c )   (resid   11 and name n ) 
        (resid   11 and name ca)   (resid   11 and name c )  1.0 -50.0 40.0 2
  !!    12
 assign (resid   11 and name c )   (resid   12 and name n ) 
        (resid   12 and name ca)   (resid   12 and name c )  1.0 -50.0 40.0 2
  !!    13
 assign (resid   12 and name c )   (resid   13 and name n ) 
        (resid   13 and name ca)   (resid   13 and name c )  1.0 -50.0 40.0 2
  !!    14
 assign (resid   13 and name c )   (resid   14 and name n ) 
        (resid   14 and name ca)   (resid   14 and name c )  1.0 -50.0 40.0 2
  !!    15
 assign (resid   14 and name c )   (resid   15 and name n ) 
        (resid   15 and name ca)   (resid   15 and name c )  1.0 -50.0 40.0 2
  !!    16
 assign (resid   15 and name c )   (resid   16 and name n ) 
        (resid   16 and name ca)   (resid   16 and name c )  1.0 -50.0 40.0 2
  !!    17
 assign (resid   16 and name c )   (resid   17 and name n ) 
        (resid   17 and name ca)   (resid   17 and name c )  1.0 -50.0 40.0 2
  !!    18
 assign (resid   17 and name c )   (resid   18 and name n ) 
        (resid   18 and name ca)   (resid   18 and name c )  1.0 -50.0 40.0 2
  !!    19
 assign (resid   18 and name c )   (resid   19 and name n ) 
        (resid   19 and name ca)   (resid   19 and name c )  1.0 -50.0 40.0 2
  !!    20
 assign (resid   19 and name c )   (resid   20 and name n ) 
        (resid   20 and name ca)   (resid   20 and name c )  1.0 -50.0 40.0 2
  !!    21
 assign (resid   20 and name c )   (resid   21 and name n ) 
        (resid   21 and name ca)   (resid   21 and name c )  1.0 -50.0 40.0 2

  !!    22
 assign (resid   21 and name c )   (resid   22 and name n ) 
        (resid   22 and name ca)   (resid   22 and name c )  1.0 -50.0 40.0 2
  !!    23
 assign (resid   22 and name c )   (resid   23 and name n ) 
        (resid   23 and name ca)   (resid   23 and name c )  1.0 -50.0 40.0 2
  !!    24
 assign (resid   23 and name c )   (resid   24 and name n ) 
        (resid   24 and name ca)   (resid   24 and name c )  1.0 -125.0 50.0 2

  !!    26
 assign (resid   25 and name c )   (resid   26 and name n ) 
        (resid   26 and name ca)   (resid   26 and name c )  1.0 -125.0 50.0 2
 
  !!    27
 assign (resid   26 and name c )   (resid   27 and name n ) 
        (resid   27 and name ca)   (resid   27 and name c )  1.0 -50.0 40.0 2
  !!    28
 assign (resid   27 and name c )   (resid   28 and name n ) 
        (resid   28 and name ca)   (resid   28 and name c )  1.0 -50.0 40.0 2
  !!    29
 assign (resid   28 and name c )   (resid   29 and name n ) 
        (resid   29 and name ca)   (resid   29 and name c )  1.0 -50.0 40.0 2

  !!    33
 assign (resid   32 and name c )   (resid   33 and name n ) 
        (resid   33 and name ca)   (resid   33 and name c )  1.0 -125.0 50.0 2
  !!    34
 assign (resid   36 and name c )   (resid   37 and name n ) 
        (resid   37 and name ca)   (resid   37 and name c )  1.0 -125.0 50.0 2
  !!    39
 assign (resid   38 and name c )   (resid   39 and name n ) 
        (resid   39 and name ca)   (resid   39 and name c )  1.0 -125.0 40.0 2

 assign (resid   42 and name c )   (resid   43 and name n ) 
        (resid   43 and name ca)   (resid   43 and name c )  1.0 -125.0 40.0 2
  !!    44
 assign (resid   43 and name c )   (resid   44 and name n ) 
        (resid   44 and name ca)   (resid   44 and name c )  1.0 -125.0 40.0 2


  !!    46
 assign (resid   45 and name c )   (resid   46 and name n ) 
        (resid   46 and name ca)   (resid   46 and name c )  1.0 -50.0 40.0 2
  !!    47
 assign (resid   46 and name c )   (resid   47 and name n ) 
        (resid   47 and name ca)   (resid   47 and name c )  1.0 -50.0 40.0 2
  !!    48
 assign (resid   47 and name c )   (resid   48 and name n ) 
        (resid   48 and name ca)   (resid   48 and name c )  1.0 -50.0 40.0 2
  !!    49
 assign (resid   48 and name c )   (resid   49 and name n ) 
        (resid   49 and name ca)   (resid   49 and name c )  1.0 -50.0 40.0 2
  !!    50
 assign (resid   49 and name c )   (resid   50 and name n ) 
        (resid   50 and name ca)   (resid   50 and name c )  1.0 -50.0 40.0 2
  !!    51
 assign (resid   50 and name c )   (resid   51 and name n ) 
        (resid   51 and name ca)   (resid   51 and name c )  1.0 -50.0 40.0 2
  !!    52
 assign (resid   51 and name c )   (resid   52 and name n ) 
        (resid   52 and name ca)   (resid   52 and name c )  1.0 -50.0 40.0 2
  !!    53
 assign (resid   52 and name c )   (resid   53 and name n ) 
        (resid   53 and name ca)   (resid   53 and name c )  1.0 -50.0 40.0 2
  !!    54
 assign (resid   53 and name c )   (resid   54 and name n ) 
        (resid   54 and name ca)   (resid   54 and name c )  1.0 -50.0 40.0 2
  !!    55
 assign (resid   54 and name c )   (resid   55 and name n ) 
        (resid   55 and name ca)   (resid   55 and name c )  1.0 -50.0 40.0 2
  !!    56
 assign (resid   55 and name c )   (resid   56 and name n ) 
        (resid   56 and name ca)   (resid   56 and name c )  1.0 -50.0 40.0 2
  !!    57
 assign (resid   56 and name c )   (resid   57 and name n ) 
        (resid   57 and name ca)   (resid   57 and name c )  1.0 -50.0 40.0 2
  !!    58
 assign (resid   57 and name c )   (resid   58 and name n ) 
        (resid   58 and name ca)   (resid   58 and name c )  1.0 -50.0 40.0 2
  !!    59
 assign (resid   58 and name c )   (resid   59 and name n ) 
        (resid   59 and name ca)   (resid   59 and name c )  1.0 -50.0 40.0 2
  !!    60
 assign (resid   59 and name c )   (resid   60 and name n ) 
        (resid   60 and name ca)   (resid   60 and name c )  1.0 -50.0 40.0 2
  !!    61
 assign (resid   60 and name c )   (resid   61 and name n ) 
        (resid   61 and name ca)   (resid   61 and name c )  1.0 -50.0 40.0 2
  !!    62
 assign (resid   61 and name c )   (resid   62 and name n ) 
        (resid   62 and name ca)   (resid   62 and name c )  1.0 -50.0 40.0 2
  !!    63
 assign (resid   62 and name c )   (resid   63 and name n ) 
        (resid   63 and name ca)   (resid  63 and name c )  1.0 -50.0 40.0 2
  !!    64
 assign (resid   63 and name c )   (resid   64 and name n ) 
        (resid   64 and name ca)   (resid   64 and name c )  1.0 -50.0 40.0 2

  !!    66
 assign (resid   65 and name c )   (resid   66 and name n ) 
        (resid   66 and name ca)   (resid   66 and name c )  1.0 -125.0 50.0 2

  !!    67
 assign (resid   66 and name c )   (resid   67 and name n ) 
        (resid   67 and name ca)   (resid   67 and name c )  1.0 -50.0 40.0 2
  !!    68
 assign (resid   67 and name c )   (resid   68 and name n ) 
        (resid   68 and name ca)   (resid   68 and name c )  1.0 -50.0 40.0 2
  !!    69
 assign (resid   68 and name c )   (resid   69 and name n ) 
        (resid   69 and name ca)   (resid   69 and name c )  1.0 -50.0 40.0 2
  !!    70
 assign (resid   69 and name c )   (resid   70 and name n ) 
        (resid   70 and name ca)   (resid   70 and name c )  1.0 -50.0 40.0 2

  !!    72
 assign (resid   71 and name c )   (resid   72 and name n ) 
        (resid   72 and name ca)   (resid   72 and name c )  1.0 -125.0 50.0 2
  !!    73
 assign (resid   72 and name c )   (resid   73 and name n ) 
        (resid   73 and name ca)   (resid   73 and name c )  1.0 -125.0 50.0 2
  !!    74
 assign (resid   73 and name c )   (resid   74 and name n ) 
        (resid   74 and name ca)   (resid   74 and name c )  1.0 -50.0 40.0 2
  !!    75
 assign (resid   74 and name c )   (resid   75 and name n ) 
        (resid   75 and name ca)   (resid   75 and name c )  1.0 -50.0 40.0 2
  !!    76
 assign (resid   75 and name c )   (resid   76 and name n ) 
        (resid   76 and name ca)   (resid   76 and name c )  1.0 -50.0 40.0 2
  !!    77
 assign (resid   76 and name c )   (resid   77 and name n ) 
        (resid   77 and name ca)   (resid   77 and name c )  1.0 -50.0 40.0 2
  !!    78
 assign (resid   77 and name c )   (resid   78 and name n ) 
        (resid   78 and name ca)   (resid   78 and name c )  1.0 -50.0 40.0 2
  !!    79
 assign (resid   78 and name c )   (resid   79 and name n ) 
        (resid   79 and name ca)   (resid   79 and name c )  1.0 -50.0 40.0 2
  !!    80
 assign (resid   79 and name c )   (resid   80 and name n ) 
        (resid   80 and name ca)   (resid   80 and name c )  1.0 -50.0 40.0 2
  !!    81
 assign (resid   80 and name c )   (resid   81 and name n ) 
        (resid   81 and name ca)   (resid   81 and name c )  1.0 -50.0 40.0 2
  !!    82
 assign (resid   81 and name c )   (resid   82 and name n ) 
        (resid   82 and name ca)   (resid   82 and name c )  1.0 -50.0 40.0 2
  !!    83
 assign (resid   82 and name c )   (resid   83 and name n ) 
        (resid   83 and name ca)   (resid   83 and name c )  1.0 -50.0 40.0 2
  !!    84
 assign (resid   83 and name c )   (resid   84 and name n ) 
        (resid   84 and name ca)   (resid   84 and name c )  1.0 -50.0 40.0 2
  !!    85
 assign (resid   84 and name c )   (resid   85 and name n ) 
        (resid   85 and name ca)   (resid   85 and name c )  1.0 -50.0 40.0 2
  !!    86
 assign (resid   85 and name c )   (resid   86 and name n ) 
        (resid   86 and name ca)   (resid   86 and name c )  1.0 -50.0 40.0 2
  !!    87
 assign (resid   86 and name c )   (resid   87 and name n ) 
        (resid   87 and name ca)   (resid   87 and name c )  1.0 -50.0 40.0 2
  !!    88
 assign (resid   87 and name c )   (resid   88 and name n ) 
        (resid   88 and name ca)   (resid   88 and name c )  1.0 -50.0 40.0 2
  !!    89
 assign (resid   88 and name c )   (resid   89 and name n ) 
        (resid   89 and name ca)   (resid   89 and name c )  1.0 -50.0 40.0 2
  !!    90
 assign (resid   89 and name c )   (resid   90 and name n ) 
        (resid   90 and name ca)   (resid   90 and name c )  1.0 -50.0 40.0 2
  !!    91
 assign (resid   90 and name c )   (resid   91 and name n ) 
        (resid   91 and name ca)   (resid   91 and name c )  1.0 -50.0 40.0 2
  !!    92
 assign (resid   91 and name c )   (resid   92 and name n ) 
        (resid   92 and name ca)   (resid   92 and name c )  1.0 -50.0 40.0 2
  !!    93
 assign (resid   92 and name c )   (resid   93 and name n ) 
        (resid   93 and name ca)   (resid   93 and name c )  1.0 -50.0 40.0 2
  !!    94
 assign (resid   93 and name c )   (resid   94 and name n ) 
        (resid   94 and name ca)   (resid   94 and name c )  1.0 -50.0 40.0 2
  !!    95
 assign (resid   94 and name c )   (resid   95 and name n ) 
        (resid   95 and name ca)   (resid   95 and name c )  1.0 -50.0 40.0 2
  !!    96
 assign (resid   95 and name c )   (resid   96 and name n ) 
        (resid   96 and name ca)   (resid   96 and name c )  1.0 -50.0 40.0 2
  !!    97
 assign (resid   96 and name c )   (resid   97 and name n ) 
        (resid   97 and name ca)   (resid   97 and name c )  1.0 -50.0 40.0 2
  !!    98
 assign (resid   97 and name c )   (resid   98 and name n ) 
        (resid   98 and name ca)   (resid   98 and name c )  1.0 -50.0 40.0 2
  !!    100
 assign (resid   99 and name c )   (resid    100 and name n ) 
        (resid   100 and name ca)   (resid   100 and name c )  1.0 -125.0 40.0 2
   !!    102
 assign (resid   101 and name c )   (resid   102 and name n ) 
        (resid   102 and name ca)   (resid   102 and name c )  1.0 -50.0 40.0 2
   !!    103
 assign (resid   102 and name c )   (resid   103 and name n ) 
        (resid   103 and name ca)   (resid   103 and name c )  1.0 -125.0 40.0 2
   !!    104
 assign (resid   103 and name c )   (resid   104 and name n ) 
        (resid   104 and name ca)   (resid   104 and name c )  1.0 -50.0 40.0 2
 assign (resid   107 and name c )   (resid   108 and name n ) 
        (resid   108 and name ca)   (resid   108 and name c )  1.0 -125.0 50.0 2
  !!    111
 assign (resid   110 and name c )   (resid   111 and name n ) 
        (resid   111 and name ca)   (resid   111 and name c )  1.0 -125.0 50.0 2
 
  !!    113
 assign (resid   112 and name c )   (resid   113 and name n ) 
        (resid   113 and name ca)   (resid   113 and name c )  1.0 -50.0 40.0 2
  !!    114
 assign (resid   113 and name c )   (resid   114 and name n ) 
        (resid   114 and name ca)   (resid   114 and name c )  1.0 -50.0 40.0 2
  !!    115
 assign (resid   114 and name c )   (resid   115 and name n ) 
        (resid   115 and name ca)   (resid   115 and name c )  1.0 -50.0 40.0 2
  !!    116
 assign (resid   115 and name c )   (resid   116 and name n ) 
        (resid   116 and name ca)   (resid   116 and name c )  1.0 -50.0 40.0 2
  !!    117
 assign (resid   116 and name c )   (resid   117 and name n ) 
        (resid   117 and name ca)   (resid   117 and name c )  1.0 -50.0 40.0 2
  !!    118
 assign (resid   117 and name c )   (resid   118 and name n ) 
        (resid   118 and name ca)   (resid   118 and name c )  1.0 -50.0 40.0 2
  !!    119
 assign (resid   118 and name c )   (resid   119 and name n ) 
        (resid   119 and name ca)   (resid   119 and name c )  1.0 -50.0 40.0 2
  !!    120
 assign (resid   119 and name c )   (resid   120 and name n ) 
        (resid   120 and name ca)   (resid   120 and name c )  1.0 -50.0 40.0 2
  !!    121
 assign (resid   120 and name c )   (resid   121 and name n ) 
        (resid   121 and name ca)   (resid   121 and name c )  1.0 -50.0 40.0 2
  !!    122
 assign (resid   121 and name c )   (resid   122 and name n ) 
        (resid   122 and name ca)   (resid   122 and name c )  1.0 -50.0 40.0 2
  !!    123
 assign (resid   122 and name c )   (resid   123 and name n ) 
        (resid   123 and name ca)   (resid   123 and name c )  1.0 -50.0 40.0 2
  !!    124
 assign (resid   123 and name c )   (resid   124 and name n ) 
        (resid   124 and name ca)   (resid   124 and name c )  1.0 -50.0 40.0 2
  !!    125
 assign (resid   124 and name c )   (resid   125 and name n ) 
        (resid   125 and name ca)   (resid   125 and name c )  1.0 -50.0 40.0 2
  !!    126
 assign (resid   125 and name c )   (resid   126 and name n ) 
        (resid   126 and name ca)   (resid   126 and name c )  1.0 -50.0 40.0 2
  !!    127
 assign (resid   126 and name c )   (resid   127 and name n ) 
        (resid   127 and name ca)   (resid   127 and name c )  1.0 -50.0 40.0 2
  !!    128
 assign (resid   127 and name c )   (resid   128 and name n ) 
        (resid   128 and name ca)   (resid   128 and name c )  1.0 -50.0 40.0 2
  !!    129
 assign (resid   128 and name c )   (resid   129 and name n ) 
        (resid   129 and name ca)   (resid   129 and name c )  1.0 -50.0 40.0 2

 !!    133
 assign (resid   132 and name c )   (resid   133 and name n ) 
        (resid   133 and name ca)   (resid   133 and name c )  1.0 -125.0 50.0 2
 


!!psi restraints
!!9
assign  (resid 9 and name n)   (resid 9 and name ca)
        (resid 9 and name c)   (resid 10 and name n)    1.0 -50.0 60.0 2
!!10
assign  (resid 10 and name n)   (resid 10 and name ca)
        (resid 10 and name c)   (resid 11 and name n)    1.0 -50.0 60.0 2
!!11
assign  (resid 11 and name n)   (resid 11 and name ca)
        (resid 11 and name c)   (resid 12 and name n)    1.0 -50.0 60.0 2
!!12
assign  (resid 12 and name n)   (resid 12 and name ca)
        (resid 12 and name c)   (resid 13 and name n)    1.0 -50.0 60.0 2
!!13
assign  (resid 13 and name n)   (resid 13 and name ca)
        (resid 13 and name c)   (resid 14 and name n)    1.0 -50.0 60.0 2
!!14
assign  (resid 14 and name n)   (resid 14 and name ca)
        (resid 14 and name c)   (resid 15 and name n)    1.0 -50.0 60.0 2
!!15
assign  (resid 15 and name n)   (resid 15 and name ca)
        (resid 15 and name c)   (resid 16 and name n)    1.0 -50.0 60.0 2
!!16
assign  (resid 16 and name n)   (resid 16 and name ca)
        (resid 16 and name c)   (resid 17 and name n)    1.0 -50.0 60.0 2
!!17
assign  (resid 17 and name n)   (resid 17 and name ca)
        (resid 17 and name c)   (resid 18 and name n)    1.0 -50.0 60.0 2
!!18
assign  (resid 18 and name n)   (resid 18 and name ca)
        (resid 18 and name c)   (resid 19 and name n)    1.0 -50.0 60.0 2
!!19
assign  (resid 19 and name n)   (resid 19 and name ca)
        (resid 19 and name c)   (resid 20 and name n)    1.0 -50.0 60.0 2
!!20
assign  (resid 20 and name n)   (resid 20 and name ca)
        (resid 20 and name c)   (resid 21 and name n)    1.0 -50.0 60.0 2
!!21
assign  (resid 21 and name n)   (resid 21 and name ca)
        (resid 21 and name c)   (resid 22 and name n)    1.0 -50.0 60.0 2
!!27
assign  (resid 27 and name n)   (resid 27 and name ca)
        (resid 27 and name c)   (resid 28 and name n)    1.0 -50.0 60.0 2
!!28
assign  (resid 28 and name n)   (resid 28 and name ca)
        (resid 28 and name c)   (resid 29 and name n)    1.0 -50.0 60.0 2
!!29
assign  (resid 29 and name n)   (resid 29 and name ca)
        (resid 29 and name c)   (resid 30 and name n)    1.0 -50.0 60.0 2
!!45
!assign  (resid 45 and name n)   (resid 45 and name ca)
!        (resid 45 and name c)   (resid 46 and name n)    1.0 -50.0 60.0 2
!!46
assign  (resid 46 and name n)   (resid 46 and name ca)
        (resid 46 and name c)   (resid 47 and name n)    1.0 -50.0 60.0 2
!!47
assign  (resid 47 and name n)   (resid 47 and name ca)
        (resid 47 and name c)   (resid 48 and name n)    1.0 -50.0 60.0 2
!!48
assign  (resid 48 and name n)   (resid 48 and name ca)
        (resid 48 and name c)   (resid 49 and name n)    1.0 -50.0 60.0 2
!!49
assign  (resid 49 and name n)   (resid 49 and name ca)
        (resid 49 and name c)   (resid 50 and name n)    1.0 -50.0 60.0 2
!!50
assign  (resid 50 and name n)   (resid 50 and name ca)
        (resid 50 and name c)   (resid 51 and name n)    1.0 -50.0 60.0 2
!!51
assign  (resid 51 and name n)   (resid 51 and name ca)
        (resid 51 and name c)   (resid 52 and name n)    1.0 -50.0 60.0 2
!!52
assign  (resid 52 and name n)   (resid 52 and name ca)
        (resid 52 and name c)   (resid 53 and name n)    1.0 -50.0 60.0 2
!!53
assign  (resid 53 and name n)   (resid 53 and name ca)
        (resid 53 and name c)   (resid 54 and name n)    1.0 -50.0 60.0 2
!!54
assign  (resid 54 and name n)   (resid 54 and name ca)
        (resid 54 and name c)   (resid 55 and name n)    1.0 -50.0 60.0 2
!!55
assign  (resid 55 and name n)   (resid 55 and name ca)
        (resid 55 and name c)   (resid 56 and name n)    1.0 -50.0 60.0 2
!!56
assign  (resid 56 and name n)   (resid 56 and name ca)
        (resid 56 and name c)   (resid 57 and name n)    1.0 -50.0 60.0 2
!!57
assign  (resid 57 and name n)   (resid 57 and name ca)
        (resid 57 and name c)   (resid 58 and name n)    1.0 -50.0 60.0 2
!!58
assign  (resid 58 and name n)   (resid 58 and name ca)
        (resid 58 and name c)   (resid 59 and name n)    1.0 -50.0 60.0 2
!!59
assign  (resid 59 and name n)   (resid 59 and name ca)
        (resid 59 and name c)   (resid 60 and name n)    1.0 -50.0 60.0 2
!!60
assign  (resid 60 and name n)   (resid 60 and name ca)
        (resid 60 and name c)   (resid 61 and name n)    1.0 -50.0 60.0 2
!!61
assign  (resid 61 and name n)   (resid 61 and name ca)
        (resid 61 and name c)   (resid 62 and name n)    1.0 -50.0 60.0 2
!!62
assign  (resid 62 and name n)   (resid 62 and name ca)
        (resid 62 and name c)   (resid 63 and name n)    1.0 -50.0 60.0 2

!!74
assign  (resid 74 and name n)   (resid 74 and name ca)
        (resid 74 and name c)   (resid 75 and name n)    1.0 -50.0 60.0 2
!!75
assign  (resid 75 and name n)   (resid 75 and name ca)
        (resid 75 and name c)   (resid 76 and name n)    1.0 -50.0 60.0 2
!!76
assign  (resid 76 and name n)   (resid 76 and name ca)
        (resid 76 and name c)   (resid 77 and name n)    1.0 -50.0 60.0 2
!!77
assign  (resid 77 and name n)   (resid 77 and name ca)
        (resid 77 and name c)   (resid 78 and name n)    1.0 -50.0 60.0 2
!!78
assign  (resid 78 and name n)   (resid 78 and name ca)
        (resid 78 and name c)   (resid 79 and name n)    1.0 -50.0 60.0 2
!!79
assign  (resid 79 and name n)   (resid 79 and name ca)
        (resid 79 and name c)   (resid 80 and name n)    1.0 -50.0 60.0 2
!!80
assign  (resid 80 and name n)   (resid 80 and name ca)
        (resid 80 and name c)   (resid 81 and name n)    1.0 -50.0 60.0 2
!!81
assign  (resid 81 and name n)   (resid 81 and name ca)
        (resid 81 and name c)   (resid 82 and name n)    1.0 -50.0 60.0 2
!!82
assign  (resid 82 and name n)   (resid 82 and name ca)
        (resid 82 and name c)   (resid 83 and name n)    1.0 -50.0 60.0 2
!!83
assign  (resid 83 and name n)   (resid 83 and name ca)
        (resid 83 and name c)   (resid 84 and name n)    1.0 -50.0 60.0 2
!!84
assign  (resid 84 and name n)   (resid 84 and name ca)
        (resid 84 and name c)   (resid 85 and name n)    1.0 -50.0 60.0 2
!!85
assign  (resid 85 and name n)   (resid 85 and name ca)
        (resid 85 and name c)   (resid 86 and name n)    1.0 -50.0 60.0 2
!!86
assign  (resid 86 and name n)   (resid 86 and name ca)
        (resid 86 and name c)   (resid 87 and name n)    1.0 -50.0 60.0 2
!!87
assign  (resid 87 and name n)   (resid 87 and name ca)
        (resid 87 and name c)   (resid 88 and name n)    1.0 -50.0 60.0 2
!!88
assign  (resid 88 and name n)   (resid 88 and name ca)
        (resid 88 and name c)   (resid 89 and name n)    1.0 -50.0 60.0 2
!!89
assign  (resid 89 and name n)   (resid 89 and name ca)
        (resid 89 and name c)   (resid 90 and name n)    1.0 -50.0 60.0 2
!!90
assign  (resid 90 and name n)   (resid 90 and name ca)
        (resid 90 and name c)   (resid 91 and name n)    1.0 -50.0 60.0 2
!!91
assign  (resid 91 and name n)   (resid 91 and name ca)
        (resid 91 and name c)   (resid 92 and name n)    1.0 -50.0 60.0 2
!!92
assign  (resid 92 and name n)   (resid 92 and name ca)
        (resid 92 and name c)   (resid 93 and name n)    1.0 -50.0 60.0 2
!!93
assign  (resid 93 and name n)   (resid 93 and name ca)
        (resid 93 and name c)   (resid 94 and name n)    1.0 -50.0 60.0 2
!!94
assign  (resid 94 and name n)   (resid 94 and name ca)
        (resid 94 and name c)   (resid 95 and name n)    1.0 -50.0 60.0 2
!!95
assign  (resid 95 and name n)   (resid 95 and name ca)
        (resid 95 and name c)   (resid 96 and name n)    1.0 -50.0 60.0 2
!!96
assign  (resid 96 and name n)   (resid 96 and name ca)
        (resid 96 and name c)   (resid 97 and name n)    1.0 -50.0 60.0 2
!!97
assign  (resid 97 and name n)   (resid 97 and name ca)
        (resid 97 and name c)   (resid 98 and name n)    1.0 -50.0 60.0 2

!!113
assign  (resid 113 and name n)   (resid 113 and name ca)
        (resid 113 and name c)   (resid 114 and name n)    1.0 -50.0 60.0 2
!!114
assign  (resid 114 and name n)   (resid 114 and name ca)
        (resid 114 and name c)   (resid 115 and name n)    1.0 -50.0 60.0 2
!!115
assign  (resid 115 and name n)   (resid 115 and name ca)
        (resid 115 and name c)   (resid 116 and name n)    1.0 -50.0 60.0 2
!!116
assign  (resid 116 and name n)   (resid 116 and name ca)
        (resid 116 and name c)   (resid 117 and name n)    1.0 -50.0 60.0 2
!!117
assign  (resid 117 and name n)   (resid 117 and name ca)
        (resid 117 and name c)   (resid 118 and name n)    1.0 -50.0 60.0 2
!!118
assign  (resid 118 and name n)   (resid 118 and name ca)
        (resid 118 and name c)   (resid 119 and name n)    1.0 -50.0 60.0 2
!!119
assign  (resid 119 and name n)   (resid 119 and name ca)
        (resid 119 and name c)   (resid 120 and name n)    1.0 -50.0 60.0 2
!!120
assign  (resid 120 and name n)   (resid 120 and name ca)
        (resid 120 and name c)   (resid 121 and name n)    1.0 -50.0 60.0 2
!!121
assign  (resid 121 and name n)   (resid 121 and name ca)
        (resid 121 and name c)   (resid 122 and name n)    1.0 -50.0 60.0 2
!!122
assign  (resid 122 and name n)   (resid 122 and name ca)
        (resid 122 and name c)   (resid 123 and name n)    1.0 -50.0 60.0 2
!!123
assign  (resid 123 and name n)   (resid 123 and name ca)
        (resid 123 and name c)   (resid 124 and name n)    1.0 -50.0 60.0 2
!!124
assign  (resid 124 and name n)   (resid 124 and name ca)
        (resid 124 and name c)   (resid 125 and name n)    1.0 -50.0 60.0 2
!!125
assign  (resid 125 and name n)   (resid 125 and name ca)
        (resid 125 and name c)   (resid 126 and name n)    1.0 -50.0 60.0 2
!!126
assign  (resid 126 and name n)   (resid 126 and name ca)
        (resid 126 and name c)   (resid 127 and name n)    1.0 -50.0 60.0 2
!!127
assign  (resid 127 and name n)   (resid 127 and name ca)
        (resid 127 and name c)   (resid 128 and name n)    1.0 -50.0 60.0 2


  Entry H atom name         Orig H atom name
  Start of MODEL           1
    1   1H    GLU   1           HT3      GLU   1 -20.156  19.152   7.431
    2   2H    GLU   1           HT2      GLU   1 -19.028  19.450   6.197
    3   3H    GLU   1           HT1      GLU   1 -20.679  19.731   5.927
    4    HA   GLU   1           HA       GLU   1 -21.159  17.600   5.539
    5   1HB   GLU   1           HB2      GLU   1 -19.309  16.412   4.460
    6   2HB   GLU   1           HB1      GLU   1 -19.293  18.114   3.999
    7   1HG   GLU   1           HG2      GLU   1 -17.761  17.821   6.392
    8   2HG   GLU   1           HG1      GLU   1 -17.233  16.596   5.236
    9    H    ALA   2           HN       ALA   2 -21.142  15.416   6.235
   10    HA   ALA   2           HA       ALA   2 -19.399  14.311   8.203
   11   1HB   ALA   2           HB1      ALA   2 -21.490  16.070   9.217
   12   2HB   ALA   2           HB3      ALA   2 -21.668  14.428   9.836
   13   3HB   ALA   2           HB2      ALA   2 -20.158  15.305  10.084
   14    H    GLU   3           HN       GLU   3 -22.731  14.504   7.031
   15    HA   GLU   3           HA       GLU   3 -23.093  11.591   7.318
   16   1HB   GLU   3           HB2      GLU   3 -24.825  13.924   6.632
   17   2HB   GLU   3           HB1      GLU   3 -25.281  12.355   5.968
   18   1HG   GLU   3           HG2      GLU   3 -24.822  11.551   8.458
   19   2HG   GLU   3           HG1      GLU   3 -25.170  13.242   8.822
   20    H    ALA   4           HN       ALA   4 -22.143  10.366   5.775
   21    HA   ALA   4           HA       ALA   4 -22.806  10.612   3.008
   22   1HB   ALA   4           HB3      ALA   4 -21.023  12.537   3.606
   23   2HB   ALA   4           HB2      ALA   4 -19.901  11.201   3.344
   24   3HB   ALA   4           HB1      ALA   4 -21.001  11.692   2.057
   25    H    HIS   5           HN       HIS   5 -20.669   9.377   1.826
   26    HA   HIS   5           HA       HIS   5 -20.402   6.891   3.464
   27   1HB   HIS   5           HB2      HIS   5 -20.310   7.271   0.452
   28   2HB   HIS   5           HB1      HIS   5 -20.082   5.733   1.287
   29    HD1  HIS   5           HD1      HIS   5 -22.154   4.461   1.934
   30    HD2  HIS   5           HD2      HIS   5 -23.004   8.398   0.864
   31    HE1  HIS   5           HE1      HIS   5 -24.677   4.661   1.889
   32    H    LYS   6           HN       LYS   6 -18.421   7.177   4.483
   33    HA   LYS   6           HA       LYS   6 -16.205   8.611   3.463
   34   1HB   LYS   6           HB2      LYS   6 -16.480   6.372   5.458
   35   2HB   LYS   6           HB1      LYS   6 -14.879   6.904   4.960
   36   1HG   LYS   6           HG2      LYS   6 -15.581   8.124   6.981
   37   2HG   LYS   6           HG1      LYS   6 -15.429   9.224   5.615
   38   1HD   LYS   6           HD2      LYS   6 -17.472   9.759   6.808
   39   2HD   LYS   6           HD1      LYS   6 -17.912   9.040   5.264
   40   1HE   LYS   6           HE2      LYS   6 -17.894   6.792   6.669
   41   2HE   LYS   6           HE1      LYS   6 -18.128   7.891   8.024
   42   1HZ   LYS   6           HZ1      LYS   6 -19.922   8.871   6.382
   43   2HZ   LYS   6           HZ3      LYS   6 -19.908   7.283   5.790
   44   3HZ   LYS   6           HZ2      LYS   6 -20.275   7.575   7.422
   45    H    CYS   7           HN       CYS   7 -15.841   8.159   1.329
   46    HA   CYS   7           HA       CYS   7 -14.235   5.918   0.605
   47   1HB   CYS   7           HB2      CYS   7 -16.253   4.605   0.808
   48   2HB   CYS   7           HB1      CYS   7 -17.170   5.784  -0.129
   49    H    ASP   8           HN       ASP   8 -16.466   8.470  -0.373
   50    HA   ASP   8           HA       ASP   8 -15.502   8.640  -3.095
   51   1HB   ASP   8           HB2      ASP   8 -17.739   9.512  -1.880
   52   2HB   ASP   8           HB1      ASP   8 -16.781  10.992  -1.797
   53    H    ILE   9           HN       ILE   9 -14.931  10.579  -0.142
   54    HA   ILE   9           HA       ILE   9 -12.904  12.160  -1.592
   55    HB   ILE   9           HB       ILE   9 -13.969  12.311   1.236
   56   1HG1  ILE   9          HG12      ILE   9 -14.263  14.122  -1.184
   57   2HG1  ILE   9          HG11      ILE   9 -15.508  13.037  -0.564
   58   1HG2  ILE   9          HG21      ILE   9 -11.919  14.027  -0.199
   59   2HG2  ILE   9          HG23      ILE   9 -12.695  14.470   1.321
   60   3HG2  ILE   9          HG22      ILE   9 -11.649  13.052   1.246
   61   1HD1  ILE   9          HD12      ILE   9 -14.680  14.511   1.670
   62   2HD1  ILE   9          HD11      ILE   9 -14.763  15.690   0.362
   63   3HD1  ILE   9          HD13      ILE   9 -16.181  14.726   0.770
   64    H    THR  10           HN       THR  10 -12.827  10.506   1.585
   65    HA   THR  10           HA       THR  10 -10.020  10.486   1.837
   66    HB   THR  10           HB       THR  10 -12.028   8.488   2.906
   67    HG1  THR  10           HG1      THR  10 -12.154   9.847   4.605
   68   1HG2  THR  10          HG22      THR  10  -9.115   8.989   3.471
   69   2HG2  THR  10          HG21      THR  10 -10.172   8.335   4.722
   70   3HG2  THR  10          HG23      THR  10  -9.943   7.453   3.211
   71    H    LEU  11           HN       LEU  11 -12.106   8.123   0.204
   72    HA   LEU  11           HA       LEU  11  -9.866   6.292  -0.211
   73   1HB   LEU  11           HB2      LEU  11 -12.685   6.177  -0.357
   74   2HB   LEU  11           HB1      LEU  11 -12.064   5.687  -1.923
   75    HG   LEU  11           HG       LEU  11 -10.733   3.945  -0.924
   76   1HD1  LEU  11          HD12      LEU  11 -11.030   5.596   1.453
   77   2HD1  LEU  11          HD11      LEU  11 -11.436   3.913   1.790
   78   3HD1  LEU  11          HD13      LEU  11  -9.855   4.322   1.123
   79   1HD2  LEU  11          HD23      LEU  11 -13.257   3.664  -1.167
   80   2HD2  LEU  11          HD22      LEU  11 -12.462   2.540  -0.070
   81   3HD2  LEU  11          HD21      LEU  11 -13.359   3.917   0.572
   82    H    GLN  12           HN       GLN  12 -11.758   8.460  -2.397
   83    HA   GLN  12           HA       GLN  12 -10.339   7.669  -4.737
   84   1HB   GLN  12           HB2      GLN  12 -11.381   9.407  -5.824
   85   2HB   GLN  12           HB1      GLN  12 -12.402   9.333  -4.396
   86   1HG   GLN  12           HG2      GLN  12 -11.057  11.126  -3.343
   87   2HG   GLN  12           HG1      GLN  12 -10.037  11.201  -4.782
   88   1HE2  GLN  12          HE22      GLN  12 -12.240  13.341  -6.470
   89   2HE2  GLN  12          HE21      GLN  12 -10.670  12.716  -6.309
   90    H    GLU  13           HN       GLU  13  -9.522   9.899  -2.155
   91    HA   GLU  13           HA       GLU  13  -7.149  10.955  -3.457
   92   1HB   GLU  13           HB2      GLU  13  -8.580  11.503  -1.090
   93   2HB   GLU  13           HB1      GLU  13  -6.992  10.948  -0.557
   94   1HG   GLU  13           HG2      GLU  13  -5.936  12.571  -2.126
   95   2HG   GLU  13           HG1      GLU  13  -7.540  13.172  -2.542
   96    H    ILE  14           HN       ILE  14  -7.923   8.291  -1.283
   97    HA   ILE  14           HA       ILE  14  -5.218   7.432  -0.799
   98    HB   ILE  14           HB       ILE  14  -7.918   6.510  -0.242
   99   1HG1  ILE  14          HG12      ILE  14  -5.490   5.453   1.139
  100   2HG1  ILE  14          HG11      ILE  14  -5.806   7.187   1.233
  101   1HG2  ILE  14          HG22      ILE  14  -5.857   4.423  -1.006
  102   2HG2  ILE  14          HG21      ILE  14  -7.331   4.083  -0.103
  103   3HG2  ILE  14          HG23      ILE  14  -7.434   4.676  -1.759
  104   1HD1  ILE  14          HD12      ILE  14  -8.171   5.474   1.683
  105   2HD1  ILE  14          HD11      ILE  14  -6.918   5.343   2.916
  106   3HD1  ILE  14          HD13      ILE  14  -7.639   6.911   2.557
  107    H    ILE  15           HN       ILE  15  -7.300   7.219  -3.560
  108    HA   ILE  15           HA       ILE  15  -6.023   4.871  -4.728
  109    HB   ILE  15           HB       ILE  15  -8.027   6.918  -5.646
  110   1HG1  ILE  15          HG12      ILE  15  -8.348   4.009  -6.122
  111   2HG1  ILE  15          HG11      ILE  15  -8.286   4.496  -4.427
  112   1HG2  ILE  15          HG21      ILE  15  -6.295   5.152  -7.347
  113   2HG2  ILE  15          HG23      ILE  15  -7.959   5.466  -7.838
  114   3HG2  ILE  15          HG22      ILE  15  -6.830   6.806  -7.643
  115   1HD1  ILE  15          HD11      ILE  15  -9.952   6.260  -6.078
  116   2HD1  ILE  15          HD13      ILE  15 -10.539   4.600  -6.025
  117   3HD1  ILE  15          HD12      ILE  15 -10.315   5.503  -4.527
  118    H    LYS  16           HN       LYS  16  -5.983   8.393  -5.355
  119    HA   LYS  16           HA       LYS  16  -3.998   8.328  -7.396
  120   1HB   LYS  16           HB2      LYS  16  -5.217  10.351  -5.647
  121   2HB   LYS  16           HB1      LYS  16  -3.547  10.719  -6.083
  122   1HG   LYS  16           HG2      LYS  16  -4.058  10.519  -8.446
  123   2HG   LYS  16           HG1      LYS  16  -5.691   9.959  -8.087
  124   1HD   LYS  16           HD2      LYS  16  -4.567  12.690  -7.392
  125   2HD   LYS  16           HD1      LYS  16  -5.709  12.347  -8.692
  126   1HE   LYS  16           HE2      LYS  16  -7.127  11.260  -6.750
  127   2HE   LYS  16           HE1      LYS  16  -6.150  12.312  -5.725
  128   1HZ   LYS  16           HZ2      LYS  16  -6.808  14.055  -7.553
  129   2HZ   LYS  16           HZ1      LYS  16  -8.133  13.012  -7.760
  130   3HZ   LYS  16           HZ3      LYS  16  -7.841  13.718  -6.246
  131    H    THR  17           HN       THR  17  -3.777   8.273  -3.889
  132    HA   THR  17           HA       THR  17  -0.919   8.695  -3.745
  133    HB   THR  17           HB       THR  17  -2.691   7.231  -1.763
  134    HG1  THR  17           HG1      THR  17  -2.825   9.363  -0.820
  135   1HG2  THR  17          HG22      THR  17  -0.044   7.347  -1.670
  136   2HG2  THR  17          HG21      THR  17  -0.363   8.966  -1.045
  137   3HG2  THR  17          HG23      THR  17  -1.008   7.554  -0.208
  138    H    LEU  18           HN       LEU  18  -3.030   5.876  -3.980
  139    HA   LEU  18           HA       LEU  18  -1.018   3.873  -3.627
  140   1HB   LEU  18           HB2      LEU  18  -3.594   3.637  -3.628
  141   2HB   LEU  18           HB1      LEU  18  -3.475   3.608  -5.382
  142    HG   LEU  18           HG       LEU  18  -3.555   1.333  -4.310
  143   1HD1  LEU  18          HD13      LEU  18  -2.151   2.170  -6.484
  144   2HD1  LEU  18          HD12      LEU  18  -0.876   1.394  -5.544
  145   3HD1  LEU  18          HD11      LEU  18  -2.312   0.481  -6.004
  146   1HD2  LEU  18          HD21      LEU  18  -1.738   2.403  -2.534
  147   2HD2  LEU  18          HD23      LEU  18  -2.092   0.688  -2.713
  148   3HD2  LEU  18          HD22      LEU  18  -0.721   1.399  -3.563
  149    H    ASN  19           HN       ASN  19  -2.008   5.822  -6.373
  150    HA   ASN  19           HA       ASN  19  -0.465   4.243  -8.293
  151   1HB   ASN  19           HB2      ASN  19  -2.564   5.910  -8.610
  152   2HB   ASN  19           HB1      ASN  19  -1.251   7.045  -8.924
  153   1HD2  ASN  19          HD22      ASN  19  -1.838   5.639 -12.235
  154   2HD2  ASN  19          HD21      ASN  19  -2.479   6.811 -11.188
  155    H    SER  20           HN       SER  20   0.056   6.983  -6.181
  156    HA   SER  20           HA       SER  20   2.355   8.081  -7.491
  157   1HB   SER  20           HB2      SER  20   1.081   8.290  -4.831
  158   2HB   SER  20           HB1      SER  20   2.816   8.594  -4.846
  159    HG   SER  20           HG       SER  20   2.500  10.191  -6.362
  160    H    LEU  21           HN       LEU  21   1.976   5.536  -5.024
  161    HA   LEU  21           HA       LEU  21   4.818   5.100  -4.702
  162   1HB   LEU  21           HB2      LEU  21   2.440   3.306  -4.126
  163   2HB   LEU  21           HB1      LEU  21   4.098   2.927  -3.662
  164    HG   LEU  21           HG       LEU  21   3.266   5.635  -2.884
  165   1HD1  LEU  21          HD13      LEU  21   1.274   3.741  -2.591
  166   2HD1  LEU  21          HD12      LEU  21   2.106   3.664  -1.039
  167   3HD1  LEU  21          HD11      LEU  21   1.443   5.196  -1.608
  168   1HD2  LEU  21          HD22      LEU  21   4.864   3.360  -1.897
  169   2HD2  LEU  21          HD21      LEU  21   5.138   5.092  -1.709
  170   3HD2  LEU  21          HD23      LEU  21   4.025   4.253  -0.629
  171    H    THR  22           HN       THR  22   2.603   4.267  -7.199
  172    HA   THR  22           HA       THR  22   3.971   1.876  -8.125
  173    HB   THR  22           HB       THR  22   2.279   3.554  -9.935
  174    HG1  THR  22           HG1      THR  22   0.688   2.034  -8.501
  175   1HG2  THR  22          HG23      THR  22   3.152   1.367 -10.667
  176   2HG2  THR  22          HG22      THR  22   2.370   0.596  -9.287
  177   3HG2  THR  22          HG21      THR  22   1.394   1.342 -10.550
  178    H    GLU  23           HN       GLU  23   4.909   5.104  -8.168
  179    HA   GLU  23           HA       GLU  23   5.951   5.315 -10.849
  180   1HB   GLU  23           HB2      GLU  23   5.493   7.173  -9.072
  181   2HB   GLU  23           HB1      GLU  23   7.111   6.776  -8.490
  182   1HG   GLU  23           HG2      GLU  23   8.141   7.608 -10.366
  183   2HG   GLU  23           HG1      GLU  23   6.803   7.163 -11.426
  184    H    GLN  24           HN       GLN  24   7.618   4.785  -7.729
  185    HA   GLN  24           HA       GLN  24   9.908   3.612  -9.250
  186   1HB   GLN  24           HB2      GLN  24   9.897   5.486  -7.235
  187   2HB   GLN  24           HB1      GLN  24  10.231   3.997  -6.351
  188   1HG   GLN  24           HG2      GLN  24  12.009   3.486  -8.081
  189   2HG   GLN  24           HG1      GLN  24  11.768   5.119  -8.704
  190   1HE2  GLN  24          HE22      GLN  24  13.225   6.695  -5.810
  191   2HE2  GLN  24          HE21      GLN  24  12.058   6.928  -7.021
  192    H    LYS  25           HN       LYS  25   8.334   1.750  -9.500
  193    HA   LYS  25           HA       LYS  25   8.440  -0.019  -7.093
  194   1HB   LYS  25           HB2      LYS  25   6.489  -1.195  -8.134
  195   2HB   LYS  25           HB1      LYS  25   6.145   0.486  -7.723
  196   1HG   LYS  25           HG2      LYS  25   6.482   1.180 -10.018
  197   2HG   LYS  25           HG1      LYS  25   7.037  -0.434 -10.467
  198   1HD   LYS  25           HD2      LYS  25   4.292   0.088  -9.314
  199   2HD   LYS  25           HD1      LYS  25   4.610   0.072 -11.050
  200   1HE   LYS  25           HE2      LYS  25   4.718  -2.190 -11.101
  201   2HE   LYS  25           HE1      LYS  25   5.747  -2.243  -9.669
  202   1HZ   LYS  25           HZ1      LYS  25   2.864  -1.636  -9.457
  203   2HZ   LYS  25           HZ3      LYS  25   3.420  -3.239  -9.492
  204   3HZ   LYS  25           HZ2      LYS  25   3.925  -2.193  -8.253
  205    H    THR  26           HN       THR  26  10.734  -0.035  -8.515
  206    HA   THR  26           HA       THR  26  10.583  -2.649  -9.942
  207    HB   THR  26           HB       THR  26  12.659  -0.978 -11.069
  208    HG1  THR  26           HG1      THR  26  10.920   0.329 -12.178
  209   1HG2  THR  26          HG21      THR  26  11.570  -3.052 -12.018
  210   2HG2  THR  26          HG23      THR  26  10.141  -2.071 -12.344
  211   3HG2  THR  26          HG22      THR  26  11.668  -1.696 -13.141
  212    H    LEU  27           HN       LEU  27  12.716  -0.193  -8.499
  213    HA   LEU  27           HA       LEU  27  14.757  -2.252  -7.902
  214   1HB   LEU  27           HB2      LEU  27  14.863   0.455  -8.508
  215   2HB   LEU  27           HB1      LEU  27  15.114   0.438  -6.761
  216    HG   LEU  27           HG       LEU  27  16.688  -1.673  -7.650
  217   1HD1  LEU  27          HD11      LEU  27  16.234  -0.738  -9.988
  218   2HD1  LEU  27          HD13      LEU  27  17.170   0.675  -9.499
  219   3HD1  LEU  27          HD12      LEU  27  17.933  -0.914  -9.548
  220   1HD2  LEU  27          HD21      LEU  27  16.999   0.952  -6.459
  221   2HD2  LEU  27          HD23      LEU  27  17.982  -0.494  -6.224
  222   3HD2  LEU  27          HD22      LEU  27  18.345   0.612  -7.547
  223    H    CYS  28           HN       CYS  28  12.277  -0.362  -6.274
  224    HA   CYS  28           HA       CYS  28  13.207  -1.321  -3.636
  225   1HB   CYS  28           HB2      CYS  28  11.874   0.981  -4.462
  226   2HB   CYS  28           HB1      CYS  28  10.620   0.029  -3.666
  227    H    THR  29           HN       THR  29  10.999  -2.253  -6.129
  228    HA   THR  29           HA       THR  29   9.311  -3.808  -4.286
  229    HB   THR  29           HB       THR  29   8.287  -4.587  -6.523
  230    HG1  THR  29           HG1      THR  29   9.882  -4.002  -7.920
  231   1HG2  THR  29          HG21      THR  29   8.073  -2.134  -5.010
  232   2HG2  THR  29          HG23      THR  29   7.681  -1.847  -6.702
  233   3HG2  THR  29          HG22      THR  29   6.800  -3.070  -5.791
  234    H    GLU  30           HN       GLU  30  12.342  -4.342  -5.193
  235    HA   GLU  30           HA       GLU  30  11.927  -7.170  -5.999
  236   1HB   GLU  30           HB2      GLU  30  14.509  -7.134  -6.129
  237   2HB   GLU  30           HB1      GLU  30  13.635  -6.184  -7.327
  238   1HG   GLU  30           HG2      GLU  30  14.204  -4.173  -6.348
  239   2HG   GLU  30           HG1      GLU  30  14.468  -4.888  -4.757
  240    H    LEU  31           HN       LEU  31  10.998  -6.582  -3.504
  241    HA   LEU  31           HA       LEU  31  12.855  -8.059  -1.718
  242   1HB   LEU  31           HB2      LEU  31  11.105  -5.760  -0.783
  243   2HB   LEU  31           HB1      LEU  31  12.338  -6.611   0.141
  244    HG   LEU  31           HG       LEU  31  13.234  -5.280  -2.372
  245   1HD1  LEU  31          HD13      LEU  31  11.600  -3.725  -1.090
  246   2HD1  LEU  31          HD12      LEU  31  12.873  -3.647   0.128
  247   3HD1  LEU  31          HD11      LEU  31  13.190  -3.092  -1.516
  248   1HD2  LEU  31          HD21      LEU  31  14.303  -6.243   0.173
  249   2HD2  LEU  31          HD23      LEU  31  15.142  -5.944  -1.349
  250   3HD2  LEU  31          HD22      LEU  31  14.868  -4.619  -0.218
  251    H    THR  32           HN       THR  32  11.604  -9.915  -2.011
  252    HA   THR  32           HA       THR  32   8.911 -10.281  -2.297
  253    HB   THR  32           HB       THR  32   9.253 -12.430  -0.883
  254    HG1  THR  32           HG1      THR  32  11.003 -12.289   0.257
  255   1HG2  THR  32          HG22      THR  32   9.678 -11.842  -3.482
  256   2HG2  THR  32          HG21      THR  32  11.315 -12.304  -3.017
  257   3HG2  THR  32          HG23      THR  32   9.982 -13.440  -2.802
  258    H    VAL  33           HN       VAL  33   7.086 -10.054  -1.135
  259    HA   VAL  33           HA       VAL  33   7.296  -9.531   1.797
  260    HB   VAL  33           HB       VAL  33   5.393  -7.954   1.530
  261   1HG1  VAL  33          HG13      VAL  33   7.999  -7.456   1.044
  262   2HG1  VAL  33          HG12      VAL  33   7.316  -6.977  -0.511
  263   3HG1  VAL  33          HG11      VAL  33   6.758  -6.205   0.974
  264   1HG2  VAL  33          HG22      VAL  33   4.916  -9.255  -0.833
  265   2HG2  VAL  33          HG21      VAL  33   4.264  -7.665  -0.438
  266   3HG2  VAL  33          HG23      VAL  33   5.730  -7.801  -1.408
  267    H    THR  34           HN       THR  34   4.192  -9.452   1.716
  268    HA   THR  34           HA       THR  34   3.873 -12.418   1.491
  269    HB   THR  34           HB       THR  34   3.283 -10.597   3.607
  270    HG1  THR  34           HG1      THR  34   3.677 -12.489   4.392
  271   1HG2  THR  34          HG21      THR  34   1.131 -10.155   2.481
  272   2HG2  THR  34          HG23      THR  34   0.795 -11.886   2.449
  273   3HG2  THR  34          HG22      THR  34   0.899 -11.037   3.987
  274    H    ASP  35           HN       ASP  35   2.187 -13.209   0.234
  275    HA   ASP  35           HA       ASP  35   0.830 -11.268  -1.532
  276   1HB   ASP  35           HB2      ASP  35   1.886 -13.628  -2.149
  277   2HB   ASP  35           HB1      ASP  35   0.304 -14.216  -1.643
  278    H    ILE  36           HN       ILE  36  -0.996 -10.359  -0.628
  279    HA   ILE  36           HA       ILE  36  -2.710 -12.079   1.083
  280    HB   ILE  36           HB       ILE  36  -3.628 -10.110   1.979
  281   1HG1  ILE  36          HG12      ILE  36  -2.590  -8.711  -0.508
  282   2HG1  ILE  36          HG11      ILE  36  -4.278  -8.998  -0.088
  283   1HG2  ILE  36          HG21      ILE  36  -1.176 -10.432   2.466
  284   2HG2  ILE  36          HG23      ILE  36  -0.822  -9.283   1.175
  285   3HG2  ILE  36          HG22      ILE  36  -1.714  -8.759   2.603
  286   1HD1  ILE  36          HD13      ILE  36  -3.263  -7.710   2.156
  287   2HD1  ILE  36          HD12      ILE  36  -2.486  -6.875   0.811
  288   3HD1  ILE  36          HD11      ILE  36  -4.244  -6.967   0.893
  289    H    PHE  37           HN       PHE  37  -2.521 -11.979  -2.047
  290    HA   PHE  37           HA       PHE  37  -5.467 -11.658  -2.472
  291   1HB   PHE  37           HB2      PHE  37  -3.227 -11.290  -4.487
  292   2HB   PHE  37           HB1      PHE  37  -4.949 -11.130  -4.826
  293    HD1  PHE  37           HD2      PHE  37  -6.266  -9.441  -3.297
  294    HD2  PHE  37           HD1      PHE  37  -2.006  -9.404  -3.850
  295    HE1  PHE  37           HE2      PHE  37  -6.192  -7.073  -2.567
  296    HE2  PHE  37           HE1      PHE  37  -1.931  -7.035  -3.121
  297    HZ   PHE  37           HZ       PHE  37  -4.026  -5.869  -2.480
  298    H    ALA  38           HN       ALA  38  -3.872 -14.056  -1.614
  299    HA   ALA  38           HA       ALA  38  -4.081 -15.793  -4.010
  300   1HB   ALA  38           HB1      ALA  38  -2.991 -16.301  -1.227
  301   2HB   ALA  38           HB3      ALA  38  -3.026 -17.506  -2.515
  302   3HB   ALA  38           HB2      ALA  38  -2.050 -16.049  -2.698
  303    H    ALA  39           HN       ALA  39  -5.633 -15.202  -0.912
  304    HA   ALA  39           HA       ALA  39  -7.748 -17.136  -1.721
  305   1HB   ALA  39           HB3      ALA  39  -5.969 -17.354   0.574
  306   2HB   ALA  39           HB2      ALA  39  -7.661 -17.295   1.068
  307   3HB   ALA  39           HB1      ALA  39  -7.115 -18.532  -0.065
  308    H    SER  40           HN       SER  40  -8.908 -15.162  -2.310
  309    HA   SER  40           HA       SER  40  -9.778 -13.529   0.036
  310   1HB   SER  40           HB2      SER  40  -8.979 -12.797  -2.579
  311   2HB   SER  40           HB1      SER  40 -10.717 -12.520  -2.503
  312    HG   SER  40           HG       SER  40  -9.804 -10.704  -1.685
  313    H    LYS  41           HN       LYS  41 -11.652 -14.327   0.875
  314    HA   LYS  41           HA       LYS  41 -13.745 -15.236  -1.062
  315   1HB   LYS  41           HB2      LYS  41 -12.642 -16.527   1.361
  316   2HB   LYS  41           HB1      LYS  41 -14.402 -16.547   1.239
  317   1HG   LYS  41           HG2      LYS  41 -14.182 -17.459  -1.082
  318   2HG   LYS  41           HG1      LYS  41 -12.438 -17.558  -0.839
  319   1HD   LYS  41           HD2      LYS  41 -12.935 -18.966   1.229
  320   2HD   LYS  41           HD1      LYS  41 -14.601 -19.052   0.655
  321   1HE   LYS  41           HE2      LYS  41 -12.670 -19.650  -1.456
  322   2HE   LYS  41           HE1      LYS  41 -12.538 -20.760  -0.091
  323   1HZ   LYS  41           HZ1      LYS  41 -15.248 -20.170  -0.874
  324   2HZ   LYS  41           HZ3      LYS  41 -14.350 -20.964  -2.074
  325   3HZ   LYS  41           HZ2      LYS  41 -14.515 -21.665  -0.536
  326    H    ASP  42           HN       ASP  42 -13.670 -14.564   2.454
  327    HA   ASP  42           HA       ASP  42 -16.072 -12.845   2.044
  328   1HB   ASP  42           HB2      ASP  42 -15.052 -14.520   4.300
  329   2HB   ASP  42           HB1      ASP  42 -16.013 -13.094   4.694
  330    H    THR  43           HN       THR  43 -13.104 -12.083   1.717
  331    HA   THR  43           HA       THR  43 -12.794 -10.109   3.894
  332    HB   THR  43           HB       THR  43 -10.701  -9.537   2.421
  333    HG1  THR  43           HG1      THR  43 -10.092 -11.345   1.163
  334   1HG2  THR  43          HG21      THR  43 -11.278 -11.630   4.360
  335   2HG2  THR  43          HG23      THR  43  -9.929 -12.066   3.310
  336   3HG2  THR  43          HG22      THR  43  -9.874 -10.570   4.242
  337    H    THR  44           HN       THR  44 -13.355  -7.983   3.660
  338    HA   THR  44           HA       THR  44 -14.399  -7.157   1.006
  339    HB   THR  44           HB       THR  44 -14.815  -5.131   2.963
  340    HG1  THR  44           HG1      THR  44 -16.169  -7.139   4.060
  341   1HG2  THR  44          HG22      THR  44 -16.452  -7.086   1.394
  342   2HG2  THR  44          HG21      THR  44 -17.237  -6.165   2.678
  343   3HG2  THR  44          HG23      THR  44 -16.457  -5.323   1.340
  344    H    GLU  45           HN       GLU  45 -14.115  -4.404   1.217
  345    HA   GLU  45           HA       GLU  45 -11.354  -4.106   0.425
  346   1HB   GLU  45           HB2      GLU  45 -11.914  -1.756   0.079
  347   2HB   GLU  45           HB1      GLU  45 -13.214  -2.765  -0.547
  348   1HG   GLU  45           HG2      GLU  45 -14.330  -2.467   1.750
  349   2HG   GLU  45           HG1      GLU  45 -13.163  -1.172   2.019
  350    H    LYS  46           HN       LYS  46 -13.204  -3.032   3.299
  351    HA   LYS  46           HA       LYS  46 -11.076  -1.618   4.543
  352   1HB   LYS  46           HB2      LYS  46 -12.326  -1.958   6.646
  353   2HB   LYS  46           HB1      LYS  46 -13.401  -1.477   5.332
  354   1HG   LYS  46           HG2      LYS  46 -13.691  -4.050   4.965
  355   2HG   LYS  46           HG1      LYS  46 -13.080  -4.179   6.617
  356   1HD   LYS  46           HD2      LYS  46 -15.086  -2.091   6.422
  357   2HD   LYS  46           HD1      LYS  46 -15.725  -3.631   5.846
  358   1HE   LYS  46           HE2      LYS  46 -14.626  -4.623   7.991
  359   2HE   LYS  46           HE1      LYS  46 -14.609  -2.954   8.560
  360   1HZ   LYS  46           HZ2      LYS  46 -17.098  -3.162   7.618
  361   2HZ   LYS  46           HZ1      LYS  46 -16.843  -4.753   8.159
  362   3HZ   LYS  46           HZ3      LYS  46 -16.674  -3.454   9.237
  363    H    GLU  47           HN       GLU  47 -11.981  -5.069   4.777
  364    HA   GLU  47           HA       GLU  47  -9.962  -5.723   6.710
  365   1HB   GLU  47           HB2      GLU  47 -11.867  -7.162   5.022
  366   2HB   GLU  47           HB1      GLU  47 -10.338  -8.027   5.194
  367   1HG   GLU  47           HG2      GLU  47 -10.504  -7.678   7.682
  368   2HG   GLU  47           HG1      GLU  47 -12.119  -7.016   7.428
  369    H    THR  48           HN       THR  48  -9.970  -5.648   3.161
  370    HA   THR  48           HA       THR  48  -7.337  -6.816   2.897
  371    HB   THR  48           HB       THR  48  -8.832  -5.033   0.955
  372    HG1  THR  48           HG1      THR  48  -9.207  -7.279   0.082
  373   1HG2  THR  48          HG21      THR  48  -6.344  -6.676   0.830
  374   2HG2  THR  48          HG23      THR  48  -7.389  -6.663  -0.590
  375   3HG2  THR  48          HG22      THR  48  -6.724  -5.152   0.030
  376    H    PHE  49           HN       PHE  49  -8.401  -3.619   3.754
  377    HA   PHE  49           HA       PHE  49  -5.881  -2.373   2.875
  378   1HB   PHE  49           HB2      PHE  49  -8.290  -1.319   4.365
  379   2HB   PHE  49           HB1      PHE  49  -6.849  -0.345   4.065
  380    HD1  PHE  49           HD2      PHE  49  -5.971  -1.045   1.426
  381    HD2  PHE  49           HD1      PHE  49  -9.975  -0.664   2.921
  382    HE1  PHE  49           HE2      PHE  49  -6.783  -0.616  -0.867
  383    HE2  PHE  49           HE1      PHE  49 -10.789  -0.236   0.633
  384    HZ   PHE  49           HZ       PHE  49  -9.196  -0.210  -1.272
  385    H    CYS  50           HN       CYS  50  -7.371  -3.470   5.873
  386    HA   CYS  50           HA       CYS  50  -5.327  -2.320   7.572
  387   1HB   CYS  50           HB2      CYS  50  -7.545  -2.962   8.449
  388   2HB   CYS  50           HB1      CYS  50  -7.228  -4.649   8.045
  389    NH1  ARG  51           NH2      ARG  51  -7.715 -11.631   5.047
  390    NH2  ARG  51           NH1      ARG  51  -6.233 -13.130   5.859
  391    H    ARG  51           HN       ARG  51  -5.797  -5.436   5.940
  392    HA   ARG  51           HA       ARG  51  -3.499  -6.741   7.117
  393   1HB   ARG  51           HB2      ARG  51  -5.277  -7.226   4.754
  394   2HB   ARG  51           HB1      ARG  51  -3.726  -8.063   4.813
  395   1HG   ARG  51           HG2      ARG  51  -4.274  -9.195   6.805
  396   2HG   ARG  51           HG1      ARG  51  -5.582  -8.074   7.188
  397   1HD   ARG  51           HD2      ARG  51  -7.064  -9.304   6.018
  398   2HD   ARG  51           HD1      ARG  51  -6.020  -9.296   4.598
  399    HE   ARG  51           HE       ARG  51  -4.856 -11.151   6.319
  400   1HH1  ARG  51          HH21      ARG  51  -7.982 -10.692   4.840
  401   2HH1  ARG  51          HH22      ARG  51  -8.338 -12.382   4.824
  402   1HH2  ARG  51          HH11      ARG  51  -5.350 -13.339   6.281
  403   2HH2  ARG  51          HH12      ARG  51  -6.866 -13.869   5.631
  404    H    ALA  52           HN       ALA  52  -4.039  -5.225   3.925
  405    HA   ALA  52           HA       ALA  52  -1.287  -5.327   3.119
  406   1HB   ALA  52           HB2      ALA  52  -3.306  -4.937   1.623
  407   2HB   ALA  52           HB1      ALA  52  -3.329  -3.280   2.230
  408   3HB   ALA  52           HB3      ALA  52  -1.932  -3.871   1.329
  409    H    ALA  53           HN       ALA  53  -2.914  -3.335   5.410
  410    HA   ALA  53           HA       ALA  53  -1.114  -1.050   5.147
  411   1HB   ALA  53           HB3      ALA  53  -3.387  -1.834   6.902
  412   2HB   ALA  53           HB2      ALA  53  -2.200  -0.733   7.600
  413   3HB   ALA  53           HB1      ALA  53  -3.052  -0.288   6.121
  414    H    THR  54           HN       THR  54  -1.354  -3.996   7.059
  415    HA   THR  54           HA       THR  54   0.736  -3.309   8.937
  416    HB   THR  54           HB       THR  54  -0.578  -5.884   8.072
  417    HG1  THR  54           HG1      THR  54  -0.331  -4.482  10.525
  418   1HG2  THR  54          HG21      THR  54   1.896  -5.520   9.760
  419   2HG2  THR  54          HG23      THR  54   0.837  -6.917   9.959
  420   3HG2  THR  54          HG22      THR  54   1.642  -6.633   8.416
  421    H    VAL  55           HN       VAL  55   0.620  -5.135   5.884
  422    HA   VAL  55           HA       VAL  55   3.426  -5.762   5.809
  423    HB   VAL  55           HB       VAL  55   1.478  -5.404   3.501
  424   1HG1  VAL  55          HG11      VAL  55   4.300  -6.053   3.653
  425   2HG1  VAL  55          HG13      VAL  55   3.393  -7.407   2.979
  426   3HG1  VAL  55          HG12      VAL  55   3.292  -5.816   2.226
  427   1HG2  VAL  55          HG22      VAL  55   0.766  -7.046   5.273
  428   2HG2  VAL  55          HG21      VAL  55   1.075  -7.793   3.706
  429   3HG2  VAL  55          HG23      VAL  55   2.269  -7.926   4.995
  430    H    LEU  56           HN       LEU  56   1.500  -3.004   4.779
  431    HA   LEU  56           HA       LEU  56   3.600  -1.650   3.328
  432   1HB   LEU  56           HB2      LEU  56   0.856  -1.117   4.139
  433   2HB   LEU  56           HB1      LEU  56   1.874   0.303   4.378
  434    HG   LEU  56           HG       LEU  56   2.763  -0.411   1.953
  435   1HD1  LEU  56          HD11      LEU  56  -0.112  -1.378   2.060
  436   2HD1  LEU  56          HD13      LEU  56   0.841  -1.193   0.588
  437   3HD1  LEU  56          HD12      LEU  56   1.310  -2.388   1.797
  438   1HD2  LEU  56          HD21      LEU  56   1.621   1.740   2.773
  439   2HD2  LEU  56          HD23      LEU  56   1.392   1.333   1.073
  440   3HD2  LEU  56          HD22      LEU  56   0.107   1.011   2.237
  441    NH1  ARG  57           NH2      ARG  57   2.049  -1.056  13.886
  442    NH2  ARG  57           NH1      ARG  57   3.056   0.825  14.629
  443    H    ARG  57           HN       ARG  57   2.716  -1.936   6.701
  444    HA   ARG  57           HA       ARG  57   4.178   0.343   7.672
  445   1HB   ARG  57           HB2      ARG  57   2.412  -0.932   8.952
  446   2HB   ARG  57           HB1      ARG  57   3.577  -2.243   9.137
  447   1HG   ARG  57           HG2      ARG  57   5.148  -0.635  10.228
  448   2HG   ARG  57           HG1      ARG  57   3.892   0.602  10.138
  449   1HD   ARG  57           HD2      ARG  57   2.407  -1.195  11.336
  450   2HD   ARG  57           HD1      ARG  57   3.954  -1.909  11.792
  451    HE   ARG  57           HE       ARG  57   4.230   0.759  12.475
  452   1HH1  ARG  57          HH21      ARG  57   1.915  -1.756  13.186
  453   2HH1  ARG  57          HH22      ARG  57   1.529  -1.102  14.738
  454   1HH2  ARG  57          HH11      ARG  57   3.702   1.576  14.496
  455   2HH2  ARG  57          HH12      ARG  57   2.528   0.764  15.476
  456    H    GLN  58           HN       GLN  58   4.962  -3.120   7.362
  457    HA   GLN  58           HA       GLN  58   7.640  -2.895   8.373
  458   1HB   GLN  58           HB2      GLN  58   5.966  -4.936   7.184
  459   2HB   GLN  58           HB1      GLN  58   7.591  -5.002   6.503
  460   1HG   GLN  58           HG2      GLN  58   8.331  -4.744   9.023
  461   2HG   GLN  58           HG1      GLN  58   6.714  -5.371   9.348
  462   1HE2  GLN  58          HE22      GLN  58   8.865  -8.362   9.057
  463   2HE2  GLN  58          HE21      GLN  58   8.656  -7.079  10.149
  464    H    PHE  59           HN       PHE  59   6.210  -2.254   5.238
  465    HA   PHE  59           HA       PHE  59   8.688  -2.319   3.745
  466   1HB   PHE  59           HB2      PHE  59   6.375  -2.486   2.743
  467   2HB   PHE  59           HB1      PHE  59   6.172  -0.767   3.076
  468    HD1  PHE  59           HD2      PHE  59   8.034   0.827   2.144
  469    HD2  PHE  59           HD1      PHE  59   7.375  -3.172   0.733
  470    HE1  PHE  59           HE2      PHE  59   9.228   1.376   0.049
  471    HE2  PHE  59           HE1      PHE  59   8.579  -2.624  -1.363
  472    HZ   PHE  59           HZ       PHE  59   9.503  -0.350  -1.708
  473    OH   TYR  60           OH       TYR  60   6.420   4.396  10.903
  474    H    TYR  60           HN       TYR  60   6.843   0.295   5.332
  475    HA   TYR  60           HA       TYR  60   8.877   2.257   4.503
  476   1HB   TYR  60           HB2      TYR  60   7.259   3.780   4.859
  477   2HB   TYR  60           HB1      TYR  60   6.169   2.416   5.106
  478    HD1  TYR  60           HD2      TYR  60   5.706   1.575   7.397
  479    HD2  TYR  60           HD1      TYR  60   8.060   5.100   6.710
  480    HE1  TYR  60           HE2      TYR  60   5.420   2.226   9.772
  481    HE2  TYR  60           HE1      TYR  60   7.774   5.754   9.086
  482    HH   TYR  60           HH       TYR  60   6.351   5.353  10.943
  483    H    SER  61           HN       SER  61   8.542   0.090   7.118
  484    HA   SER  61           HA       SER  61   9.934   1.881   9.013
  485   1HB   SER  61           HB2      SER  61   8.104  -0.116   9.406
  486   2HB   SER  61           HB1      SER  61   9.614  -0.959   9.740
  487    HG   SER  61           HG       SER  61   8.925   0.027  11.619
  488    H    HIS  62           HN       HIS  62  10.536  -1.257   7.401
  489    HA   HIS  62           HA       HIS  62  13.342  -1.185   8.300
  490   1HB   HIS  62           HB2      HIS  62  11.507  -3.196   7.148
  491   2HB   HIS  62           HB1      HIS  62  13.196  -3.351   6.667
  492    HD1  HIS  62           HD1      HIS  62  14.337  -4.954   8.187
  493    HD2  HIS  62           HD2      HIS  62  11.603  -2.580  10.254
  494    HE1  HIS  62           HE1      HIS  62  14.510  -5.620  10.625
  495    H    HIS  63           HN       HIS  63  11.772  -1.600   5.089
  496    HA   HIS  63           HA       HIS  63  14.169  -1.173   3.617
  497   1HB   HIS  63           HB2      HIS  63  11.292  -0.718   2.796
  498   2HB   HIS  63           HB1      HIS  63  12.658  -0.730   1.683
  499    HD1  HIS  63           HD1      HIS  63  14.274  -3.076   2.381
  500    HD2  HIS  63           HD2      HIS  63  10.118  -3.208   2.672
  501    HE1  HIS  63           HE1      HIS  63  13.629  -5.523   2.310
  502    H    GLU  64           HN       GLU  64  12.106   1.122   5.207
  503    HA   GLU  64           HA       GLU  64  12.519   3.426   3.629
  504   1HB   GLU  64           HB2      GLU  64  11.109   3.987   5.327
  505   2HB   GLU  64           HB1      GLU  64  11.880   2.876   6.461
  506   1HG   GLU  64           HG2      GLU  64  13.660   4.419   6.905
  507   2HG   GLU  64           HG1      GLU  64  13.180   5.457   5.561
  508    H    LYS  65           HN       LYS  65  14.706   1.797   5.855
  509    HA   LYS  65           HA       LYS  65  16.807   3.768   5.060
  510   1HB   LYS  65           HB2      LYS  65  15.788   3.421   7.628
  511   2HB   LYS  65           HB1      LYS  65  17.282   2.487   7.645
  512   1HG   LYS  65           HG2      LYS  65  18.440   4.496   6.632
  513   2HG   LYS  65           HG1      LYS  65  16.954   5.405   6.907
  514   1HD   LYS  65           HD2      LYS  65  17.221   5.422   9.193
  515   2HD   LYS  65           HD1      LYS  65  18.049   3.863   9.211
  516   1HE   LYS  65           HE2      LYS  65  20.110   4.806   8.609
  517   2HE   LYS  65           HE1      LYS  65  19.360   6.260   7.951
  518   1HZ   LYS  65           HZ1      LYS  65  18.619   6.745  10.281
  519   2HZ   LYS  65           HZ3      LYS  65  19.642   5.495  10.800
  520   3HZ   LYS  65           HZ2      LYS  65  20.294   6.854  10.017
  521    H    ASP  66           HN       ASP  66  16.552   1.567   3.509
  522    HA   ASP  66           HA       ASP  66  18.670  -0.293   4.518
  523   1HB   ASP  66           HB2      ASP  66  16.091  -0.812   3.368
  524   2HB   ASP  66           HB1      ASP  66  17.335  -1.434   2.284
  525    H    THR  67           HN       THR  67  20.518  -0.400   3.331
  526    HA   THR  67           HA       THR  67  21.111   1.498   1.304
  527    HB   THR  67           HB       THR  67  22.748  -0.815   0.869
  528    HG1  THR  67           HG1      THR  67  23.459  -0.622   3.260
  529   1HG2  THR  67          HG22      THR  67  23.104   1.871   2.193
  530   2HG2  THR  67          HG21      THR  67  24.434   0.725   2.029
  531   3HG2  THR  67          HG23      THR  67  23.637   1.364   0.591
  532    NH1  ARG  68           NH2      ARG  68  20.233  -6.993  -0.579
  533    NH2  ARG  68           NH1      ARG  68  20.195  -7.835   1.514
  534    H    ARG  68           HN       ARG  68  19.593  -1.638   1.124
  535    HA   ARG  68           HA       ARG  68  19.998  -2.365  -1.550
  536   1HB   ARG  68           HB2      ARG  68  17.770  -2.731   0.407
  537   2HB   ARG  68           HB1      ARG  68  17.455  -3.128  -1.281
  538   1HG   ARG  68           HG2      ARG  68  19.519  -4.558  -1.261
  539   2HG   ARG  68           HG1      ARG  68  19.645  -4.268   0.475
  540   1HD   ARG  68           HD2      ARG  68  17.080  -5.027   0.381
  541   2HD   ARG  68           HD1      ARG  68  17.648  -5.901  -1.037
  542    HE   ARG  68           HE       ARG  68  18.079  -6.631   1.702
  543   1HH1  ARG  68          HH21      ARG  68  19.810  -6.466  -1.311
  544   2HH1  ARG  68          HH22      ARG  68  21.100  -7.463  -0.742
  545   1HH2  ARG  68          HH11      ARG  68  19.739  -7.946   2.398
  546   2HH2  ARG  68          HH12      ARG  68  21.056  -8.307   1.333
  547    H    CYS  69           HN       CYS  69  17.116  -0.561  -0.399
  548    HA   CYS  69           HA       CYS  69  16.387   0.227  -3.075
  549   1HB   CYS  69           HB2      CYS  69  14.907   0.056  -0.937
  550   2HB   CYS  69           HB1      CYS  69  15.468   1.698  -0.617
  551    H    LEU  70           HN       LEU  70  18.436   1.679  -0.624
  552    HA   LEU  70           HA       LEU  70  18.415   4.369  -1.497
  553   1HB   LEU  70           HB2      LEU  70  20.465   2.624  -0.179
  554   2HB   LEU  70           HB1      LEU  70  20.963   4.204  -0.779
  555    HG   LEU  70           HG       LEU  70  18.649   3.718   1.123
  556   1HD1  LEU  70          HD12      LEU  70  21.427   3.759   1.624
  557   2HD1  LEU  70          HD11      LEU  70  20.824   5.337   2.135
  558   3HD1  LEU  70          HD13      LEU  70  20.131   3.865   2.816
  559   1HD2  LEU  70          HD21      LEU  70  19.596   6.030  -0.444
  560   2HD2  LEU  70          HD23      LEU  70  18.028   5.756   0.316
  561   3HD2  LEU  70          HD22      LEU  70  19.375   6.374   1.271
  562    H    GLY  71           HN       GLY  71  21.049   2.095  -2.321
  563   1HA   GLY  71           HA2      GLY  71  21.523   1.612  -4.721
  564   2HA   GLY  71           HA1      GLY  71  21.023   3.268  -5.073
  565    H    ALA  72           HN       ALA  72  22.797   4.433  -5.624
  566    HA   ALA  72           HA       ALA  72  25.029   4.629  -3.737
  567   1HB   ALA  72           HB2      ALA  72  25.201   2.793  -5.907
  568   2HB   ALA  72           HB1      ALA  72  26.244   4.159  -6.297
  569   3HB   ALA  72           HB3      ALA  72  26.482   3.271  -4.793
  570    H    THR  73           HN       THR  73  23.013   6.416  -4.864
  571    HA   THR  73           HA       THR  73  24.871   8.420  -6.046
  572    HB   THR  73           HB       THR  73  22.743   9.080  -7.469
  573    HG1  THR  73           HG1      THR  73  21.892   6.846  -8.096
  574   1HG2  THR  73          HG22      THR  73  25.094   8.037  -8.110
  575   2HG2  THR  73          HG21      THR  73  24.117   6.607  -8.444
  576   3HG2  THR  73          HG23      THR  73  23.790   8.116  -9.295
  577    H    ALA  74           HN       ALA  74  24.045  10.645  -5.790
  578    HA   ALA  74           HA       ALA  74  22.682  10.977  -3.223
  579   1HB   ALA  74           HB3      ALA  74  24.540  12.474  -3.908
  580   2HB   ALA  74           HB2      ALA  74  23.563  13.052  -5.258
  581   3HB   ALA  74           HB1      ALA  74  23.058  13.382  -3.600
  582    H    GLN  75           HN       GLN  75  21.872  11.216  -6.631
  583    HA   GLN  75           HA       GLN  75  19.429  12.686  -6.367
  584   1HB   GLN  75           HB2      GLN  75  20.592  10.829  -8.413
  585   2HB   GLN  75           HB1      GLN  75  18.887  11.262  -8.534
  586   1HG   GLN  75           HG2      GLN  75  19.656  13.703  -8.296
  587   2HG   GLN  75           HG1      GLN  75  21.284  13.099  -8.612
  588   1HE2  GLN  75          HE22      GLN  75  20.497  13.590 -12.040
  589   2HE2  GLN  75          HE21      GLN  75  21.411  14.144 -10.721
  590    H    GLN  76           HN       GLN  76  20.050   9.166  -6.514
  591    HA   GLN  76           HA       GLN  76  17.328   8.387  -6.141
  592   1HB   GLN  76           HB2      GLN  76  19.950   7.089  -6.133
  593   2HB   GLN  76           HB1      GLN  76  18.819   6.350  -4.996
  594   1HG   GLN  76           HG2      GLN  76  17.164   6.056  -6.748
  595   2HG   GLN  76           HG1      GLN  76  18.168   6.940  -7.898
  596   1HE2  GLN  76          HE22      GLN  76  18.684   3.181  -8.216
  597   2HE2  GLN  76          HE21      GLN  76  17.275   4.125  -8.158
  598    H    PHE  77           HN       PHE  77  19.578   9.750  -3.904
  599    HA   PHE  77           HA       PHE  77  18.435   8.551  -1.512
  600   1HB   PHE  77           HB2      PHE  77  20.748   9.877  -1.997
  601   2HB   PHE  77           HB1      PHE  77  19.779  11.198  -1.346
  602    HD1  PHE  77           HD2      PHE  77  18.696  10.947   0.916
  603    HD2  PHE  77           HD1      PHE  77  21.568   8.132  -0.594
  604    HE1  PHE  77           HE2      PHE  77  19.053  10.080   3.213
  605    HE2  PHE  77           HE1      PHE  77  21.927   7.266   1.703
  606    HZ   PHE  77           HZ       PHE  77  20.669   8.240   3.606
  607    H    HIS  78           HN       HIS  78  18.070  11.648  -3.225
  608    HA   HIS  78           HA       HIS  78  16.147  12.747  -1.375
  609   1HB   HIS  78           HB2      HIS  78  17.512  14.106  -2.966
  610   2HB   HIS  78           HB1      HIS  78  16.577  13.427  -4.299
  611    HD1  HIS  78           HD1      HIS  78  14.004  14.051  -4.381
  612    HD2  HIS  78           HD2      HIS  78  16.219  16.156  -1.545
  613    HE1  HIS  78           HE1      HIS  78  12.572  16.014  -3.667
  614    NH1  ARG  79           NH2      ARG  79  12.344  11.620  -9.337
  615    NH2  ARG  79           NH1      ARG  79  14.076  11.860 -10.766
  616    H    ARG  79           HN       ARG  79  15.889  10.870  -4.361
  617    HA   ARG  79           HA       ARG  79  13.032  11.092  -4.647
  618   1HB   ARG  79           HB2      ARG  79  15.220   9.661  -5.911
  619   2HB   ARG  79           HB1      ARG  79  13.826   8.604  -5.699
  620   1HG   ARG  79           HG2      ARG  79  12.427  10.513  -6.699
  621   2HG   ARG  79           HG1      ARG  79  13.965  11.231  -7.188
  622   1HD   ARG  79           HD2      ARG  79  14.192   8.561  -7.941
  623   2HD   ARG  79           HD1      ARG  79  12.527   8.961  -8.343
  624    HE   ARG  79           HE       ARG  79  14.873   9.779  -9.776
  625   1HH1  ARG  79          HH21      ARG  79  11.862  11.105  -8.632
  626   2HH1  ARG  79          HH22      ARG  79  11.942  12.461  -9.699
  627   1HH2  ARG  79          HH11      ARG  79  14.935  11.527 -11.153
  628   2HH2  ARG  79          HH12      ARG  79  13.658  12.698 -11.120
  629    H    HIS  80           HN       HIS  80  15.148   8.772  -3.009
  630    HA   HIS  80           HA       HIS  80  13.150   6.874  -2.276
  631   1HB   HIS  80           HB2      HIS  80  15.629   6.516  -2.133
  632   2HB   HIS  80           HB1      HIS  80  15.663   7.596  -0.741
  633    HD1  HIS  80           HD1      HIS  80  12.863   5.137  -1.310
  634    HD2  HIS  80           HD2      HIS  80  16.212   5.553   1.137
  635    HE1  HIS  80           HE1      HIS  80  12.685   3.335   0.463
  636    H    LYS  81           HN       LYS  81  14.311   9.821  -0.667
  637    HA   LYS  81           HA       LYS  81  12.896   9.494   1.779
  638   1HB   LYS  81           HB2      LYS  81  14.618  11.353   0.861
  639   2HB   LYS  81           HB1      LYS  81  13.107  12.236   0.645
  640   1HG   LYS  81           HG2      LYS  81  12.518  11.798   3.007
  641   2HG   LYS  81           HG1      LYS  81  14.044  10.939   3.222
  642   1HD   LYS  81           HD2      LYS  81  14.700  13.426   2.047
  643   2HD   LYS  81           HD1      LYS  81  13.544  13.778   3.331
  644   1HE   LYS  81           HE2      LYS  81  14.983  12.184   4.782
  645   2HE   LYS  81           HE1      LYS  81  16.216  12.398   3.539
  646   1HZ   LYS  81           HZ2      LYS  81  15.001  14.861   4.378
  647   2HZ   LYS  81           HZ1      LYS  81  15.802  14.053   5.639
  648   3HZ   LYS  81           HZ3      LYS  81  16.644  14.459   4.224
  649    H    GLN  82           HN       GLN  82  11.862  10.736  -1.362
  650    HA   GLN  82           HA       GLN  82   9.318  11.747  -0.451
  651   1HB   GLN  82           HB2      GLN  82  10.596  11.166  -3.079
  652   2HB   GLN  82           HB1      GLN  82   8.834  11.247  -3.048
  653   1HG   GLN  82           HG2      GLN  82   9.265  13.447  -1.650
  654   2HG   GLN  82           HG1      GLN  82  10.837  13.398  -2.448
  655   1HE2  GLN  82          HE22      GLN  82   7.753  14.833  -4.503
  656   2HE2  GLN  82          HE21      GLN  82   7.809  14.707  -2.811
  657    H    LEU  83           HN       LEU  83  10.459   8.586  -1.488
  658    HA   LEU  83           HA       LEU  83   7.846   7.419  -1.867
  659   1HB   LEU  83           HB2      LEU  83   9.942   6.438  -2.790
  660   2HB   LEU  83           HB1      LEU  83  10.457   6.051  -1.148
  661    HG   LEU  83           HG       LEU  83   7.804   5.072  -1.439
  662   1HD1  LEU  83          HD13      LEU  83   8.491   5.270  -3.934
  663   2HD1  LEU  83          HD12      LEU  83   9.587   3.932  -3.588
  664   3HD1  LEU  83          HD11      LEU  83   7.847   3.725  -3.377
  665   1HD2  LEU  83          HD21      LEU  83  10.563   3.876  -1.179
  666   2HD2  LEU  83          HD23      LEU  83   9.284   3.969   0.033
  667   3HD2  LEU  83          HD22      LEU  83   9.142   2.841  -1.315
  668    H    ILE  84           HN       ILE  84  10.103   7.522   0.883
  669    HA   ILE  84           HA       ILE  84   8.559   5.866   2.627
  670    HB   ILE  84           HB       ILE  84  10.351   8.165   3.445
  671   1HG1  ILE  84          HG12      ILE  84  11.702   6.908   1.962
  672   2HG1  ILE  84          HG11      ILE  84  12.078   6.232   3.547
  673   1HG2  ILE  84          HG21      ILE  84   8.941   6.021   4.828
  674   2HG2  ILE  84          HG23      ILE  84  10.676   5.962   5.131
  675   3HG2  ILE  84          HG22      ILE  84   9.767   7.428   5.498
  676   1HD1  ILE  84          HD11      ILE  84  10.280   4.491   3.110
  677   2HD1  ILE  84          HD13      ILE  84  10.225   5.082   1.448
  678   3HD1  ILE  84          HD12      ILE  84  11.707   4.367   2.082
  679    NH1  ARG  85           NH2      ARG  85   9.342  15.943   3.296
  680    NH2  ARG  85           NH1      ARG  85   8.180  16.688   5.085
  681    H    ARG  85           HN       ARG  85   8.410   9.337   1.931
  682    HA   ARG  85           HA       ARG  85   6.616   9.973   4.092
  683   1HB   ARG  85           HB2      ARG  85   7.828  11.352   1.870
  684   2HB   ARG  85           HB1      ARG  85   6.114  11.759   1.965
  685   1HG   ARG  85           HG2      ARG  85   6.308  12.540   4.196
  686   2HG   ARG  85           HG1      ARG  85   7.883  11.776   4.412
  687   1HD   ARG  85           HD2      ARG  85   8.989  13.388   3.134
  688   2HD   ARG  85           HD1      ARG  85   7.522  13.858   2.277
  689    HE   ARG  85           HE       ARG  85   7.005  14.543   4.912
  690   1HH1  ARG  85          HH21      ARG  85   9.532  15.244   2.609
  691   2HH1  ARG  85          HH22      ARG  85   9.868  16.793   3.296
  692   1HH2  ARG  85          HH11      ARG  85   7.470  16.556   5.776
  693   2HH2  ARG  85          HH12      ARG  85   8.716  17.532   5.072
  694    H    PHE  86           HN       PHE  86   5.999   9.508   0.605
  695    HA   PHE  86           HA       PHE  86   3.194   9.665   0.631
  696   1HB   PHE  86           HB2      PHE  86   5.243   8.592  -1.125
  697   2HB   PHE  86           HB1      PHE  86   3.819   7.553  -1.127
  698    HD1  PHE  86           HD2      PHE  86   1.606   8.450  -1.779
  699    HD2  PHE  86           HD1      PHE  86   5.168  10.836  -2.017
  700    HE1  PHE  86           HE2      PHE  86   0.424  10.067  -3.239
  701    HE2  PHE  86           HE1      PHE  86   3.987  12.452  -3.480
  702    HZ   PHE  86           HZ       PHE  86   1.614  12.069  -4.091
  703    H    LEU  87           HN       LEU  87   5.308   7.072   1.685
  704    HA   LEU  87           HA       LEU  87   3.300   5.021   1.883
  705   1HB   LEU  87           HB2      LEU  87   6.099   5.331   2.444
  706   2HB   LEU  87           HB1      LEU  87   5.308   4.586   3.834
  707    HG   LEU  87           HG       LEU  87   5.085   3.644   0.962
  708   1HD1  LEU  87          HD11      LEU  87   7.080   3.228   2.923
  709   2HD1  LEU  87          HD13      LEU  87   6.131   1.744   2.859
  710   3HD1  LEU  87          HD12      LEU  87   6.888   2.369   1.395
  711   1HD2  LEU  87          HD22      LEU  87   3.630   3.014   3.475
  712   2HD2  LEU  87          HD21      LEU  87   3.100   2.852   1.801
  713   3HD2  LEU  87          HD23      LEU  87   4.142   1.623   2.519
  714    H    LYS  88           HN       LYS  88   4.798   7.107   4.382
  715    HA   LYS  88           HA       LYS  88   3.347   6.238   6.611
  716   1HB   LYS  88           HB2      LYS  88   4.171   9.075   5.924
  717   2HB   LYS  88           HB1      LYS  88   3.689   8.523   7.528
  718   1HG   LYS  88           HG2      LYS  88   5.556   6.917   7.550
  719   2HG   LYS  88           HG1      LYS  88   6.035   7.445   5.936
  720   1HD   LYS  88           HD2      LYS  88   7.027   9.329   6.718
  721   2HD   LYS  88           HD1      LYS  88   5.708   9.658   7.842
  722   1HE   LYS  88           HE2      LYS  88   6.706   7.584   9.138
  723   2HE   LYS  88           HE1      LYS  88   8.172   7.997   8.248
  724   1HZ   LYS  88           HZ2      LYS  88   6.941  10.319   9.323
  725   2HZ   LYS  88           HZ1      LYS  88   7.246   9.185  10.551
  726   3HZ   LYS  88           HZ3      LYS  88   8.516   9.729   9.565
  727    NH1  ARG  89           NH2      ARG  89  -1.063  14.484   1.670
  728    NH2  ARG  89           NH1      ARG  89  -1.476  13.554  -0.347
  729    H    ARG  89           HN       ARG  89   2.371   8.588   4.139
  730    HA   ARG  89           HA       ARG  89  -0.081   9.369   5.389
  731   1HB   ARG  89           HB2      ARG  89   1.082  10.524   3.453
  732   2HB   ARG  89           HB1      ARG  89   0.446   9.251   2.413
  733   1HG   ARG  89           HG2      ARG  89  -1.670  10.079   2.479
  734   2HG   ARG  89           HG1      ARG  89  -1.557  10.483   4.192
  735   1HD   ARG  89           HD2      ARG  89  -1.469  12.635   3.462
  736   2HD   ARG  89           HD1      ARG  89   0.214  12.267   3.091
  737    HE   ARG  89           HE       ARG  89  -1.198  11.429   0.845
  738   1HH1  ARG  89          HH21      ARG  89  -0.856  14.401   2.644
  739   2HH1  ARG  89          HH22      ARG  89  -1.158  15.391   1.261
  740   1HH2  ARG  89          HH11      ARG  89  -1.587  12.745  -0.925
  741   2HH2  ARG  89          HH12      ARG  89  -1.569  14.467  -0.741
  742    H    LEU  90           HN       LEU  90   0.670   6.797   3.048
  743    HA   LEU  90           HA       LEU  90  -2.115   5.954   2.880
  744   1HB   LEU  90           HB2      LEU  90  -0.117   5.635   1.179
  745   2HB   LEU  90           HB1      LEU  90   0.139   4.151   2.098
  746    HG   LEU  90           HG       LEU  90  -2.460   3.863   1.799
  747   1HD1  LEU  90          HD13      LEU  90  -2.490   6.214   0.687
  748   2HD1  LEU  90          HD12      LEU  90  -1.850   5.385  -0.731
  749   3HD1  LEU  90          HD11      LEU  90  -3.421   4.925  -0.075
  750   1HD2  LEU  90          HD22      LEU  90  -0.177   3.260  -0.008
  751   2HD2  LEU  90          HD21      LEU  90  -1.304   2.159   0.786
  752   3HD2  LEU  90          HD23      LEU  90  -1.790   3.014  -0.675
  753    H    ASP  91           HN       ASP  91   0.326   5.411   5.216
  754    HA   ASP  91           HA       ASP  91  -0.596   2.723   5.940
  755   1HB   ASP  91           HB2      ASP  91   1.772   3.599   6.298
  756   2HB   ASP  91           HB1      ASP  91   1.114   4.591   7.600
  757    NH1  ARG  92           NH2      ARG  92  -3.625   5.055  13.490
  758    NH2  ARG  92           NH1      ARG  92  -2.788   6.652  14.846
  759    H    ARG  92           HN       ARG  92  -1.176   6.042   6.899
  760    HA   ARG  92           HA       ARG  92  -2.793   5.204   9.207
  761   1HB   ARG  92           HB2      ARG  92  -1.176   7.263   9.028
  762   2HB   ARG  92           HB1      ARG  92  -2.503   8.024   8.161
  763   1HG   ARG  92           HG2      ARG  92  -2.343   8.472  10.684
  764   2HG   ARG  92           HG1      ARG  92  -3.916   7.987  10.063
  765   1HD   ARG  92           HD2      ARG  92  -3.874   5.978  11.142
  766   2HD   ARG  92           HD1      ARG  92  -2.127   5.788  10.955
  767    HE   ARG  92           HE       ARG  92  -2.278   7.832  12.755
  768   1HH1  ARG  92          HH21      ARG  92  -3.830   4.701  12.581
  769   2HH1  ARG  92          HH22      ARG  92  -3.875   4.518  14.296
  770   1HH2  ARG  92          HH11      ARG  92  -2.344   7.539  14.978
  771   2HH2  ARG  92          HH12      ARG  92  -3.043   6.099  15.640
  772    H    ASN  93           HN       ASN  93  -3.228   6.474   5.950
  773    HA   ASN  93           HA       ASN  93  -6.102   6.917   6.349
  774   1HB   ASN  93           HB2      ASN  93  -4.326   7.061   3.904
  775   2HB   ASN  93           HB1      ASN  93  -6.053   7.419   3.882
  776   1HD2  ASN  93          HD22      ASN  93  -5.423  10.735   4.849
  777   2HD2  ASN  93          HD21      ASN  93  -6.310   9.653   3.887
  778    H    LEU  94           HN       LEU  94  -4.115   4.597   4.469
  779    HA   LEU  94           HA       LEU  94  -6.174   3.204   3.191
  780   1HB   LEU  94           HB2      LEU  94  -3.632   2.846   3.043
  781   2HB   LEU  94           HB1      LEU  94  -3.831   1.749   4.409
  782    HG   LEU  94           HG       LEU  94  -5.799   0.812   2.853
  783   1HD1  LEU  94          HD11      LEU  94  -5.052   2.669   1.157
  784   2HD1  LEU  94          HD13      LEU  94  -3.749   1.542   0.777
  785   3HD1  LEU  94          HD12      LEU  94  -5.429   1.055   0.552
  786   1HD2  LEU  94          HD23      LEU  94  -3.224   0.012   3.587
  787   2HD2  LEU  94          HD22      LEU  94  -4.449  -1.005   2.829
  788   3HD2  LEU  94          HD21      LEU  94  -3.250  -0.180   1.835
  789    CH2  TRP  95           CH2      TRP  95  -5.419   0.130  13.507
  790    H    TRP  95           HN       TRP  95  -4.781   2.239   6.376
  791    HA   TRP  95           HA       TRP  95  -7.137   0.511   6.780
  792   1HB   TRP  95           HB2      TRP  95  -5.883  -0.618   8.285
  793   2HB   TRP  95           HB1      TRP  95  -4.548   0.203   7.491
  794    HD1  TRP  95           HD1      TRP  95  -4.222   2.822   8.626
  795    HE1  TRP  95           HE1      TRP  95  -3.921   3.329  11.145
  796    HE3  TRP  95           HE3      TRP  95  -6.244  -1.397  10.580
  797    HZ2  TRP  95           HZ2      TRP  95  -4.478   2.056  13.670
  798    HZ3  TRP  95           HZ3      TRP  95  -6.345  -1.752  13.026
  799    HH2  TRP  95           HH2      TRP  95  -5.466  -0.028  14.574
  800    H    GLY  96           HN       GLY  96  -6.044   3.662   7.733
  801   1HA   GLY  96           HA2      GLY  96  -7.409   4.045  10.168
  802   2HA   GLY  96           HA1      GLY  96  -7.175   5.320   8.969
  803    H    LEU  97           HN       LEU  97  -8.641   3.876   6.875
  804    HA   LEU  97           HA       LEU  97 -11.339   4.742   7.580
  805   1HB   LEU  97           HB2      LEU  97 -10.085   4.679   5.230
  806   2HB   LEU  97           HB1      LEU  97 -10.778   3.059   5.165
  807    HG   LEU  97           HG       LEU  97 -12.902   4.585   6.055
  808   1HD1  LEU  97          HD13      LEU  97 -11.073   6.220   4.339
  809   2HD1  LEU  97          HD12      LEU  97 -12.810   6.361   4.071
  810   3HD1  LEU  97          HD11      LEU  97 -12.129   6.734   5.654
  811   1HD2  LEU  97          HD22      LEU  97 -12.059   3.189   3.630
  812   2HD2  LEU  97          HD21      LEU  97 -13.650   3.245   4.389
  813   3HD2  LEU  97          HD23      LEU  97 -13.159   4.521   3.275
  814    H    ALA  98           HN       ALA  98  -9.629   1.681   7.159
  815    HA   ALA  98           HA       ALA  98 -11.765  -0.137   7.250
  816   1HB   ALA  98           HB3      ALA  98  -9.077  -0.399   7.188
  817   2HB   ALA  98           HB2      ALA  98  -9.367  -0.806   8.878
  818   3HB   ALA  98           HB1      ALA  98 -10.153  -1.735   7.602
  819    H    GLY  99           HN       GLY  99 -10.080   1.453   9.951
  820   1HA   GLY  99           HA2      GLY  99 -10.830   1.853  12.145
  821   2HA   GLY  99           HA1      GLY  99 -12.443   1.369  11.614
  822    H    LEU 100           HN       LEU 100  -9.336  -0.394  11.738
  823    HA   LEU 100           HA       LEU 100 -10.740  -2.476  13.369
  824   1HB   LEU 100           HB2      LEU 100  -9.628  -2.775  10.848
  825   2HB   LEU 100           HB1      LEU 100  -8.351  -3.358  11.917
  826    HG   LEU 100           HG       LEU 100 -10.644  -4.462  13.016
  827   1HD1  LEU 100          HD11      LEU 100 -11.465  -3.638  10.538
  828   2HD1  LEU 100          HD13      LEU 100 -10.902  -5.272  10.186
  829   3HD1  LEU 100          HD12      LEU 100 -12.155  -5.013  11.399
  830   1HD2  LEU 100          HD23      LEU 100  -8.233  -5.347  12.292
  831   2HD2  LEU 100          HD22      LEU 100  -9.569  -6.465  12.559
  832   3HD2  LEU 100          HD21      LEU 100  -9.141  -5.980  10.919
  833    H    ASN 101           HN       ASN 101  -8.839  -3.935  14.409
  834    HA   ASN 101           HA       ASN 101  -6.883  -2.028  15.634
  835   1HB   ASN 101           HB2      ASN 101  -8.912  -3.624  16.893
  836   2HB   ASN 101           HB1      ASN 101  -7.333  -4.239  17.381
  837   1HD2  ASN 101          HD22      ASN 101  -6.716  -1.536  19.534
  838   2HD2  ASN 101          HD21      ASN 101  -6.317  -3.112  19.045
  839    H    SER 102           HN       SER 102  -7.250  -5.563  15.923
  840    HA   SER 102           HA       SER 102  -4.407  -5.857  15.168
  841   1HB   SER 102           HB2      SER 102  -6.297  -7.323  16.804
  842   2HB   SER 102           HB1      SER 102  -5.525  -8.394  15.639
  843    HG   SER 102           HG       SER 102  -4.080  -6.524  17.198
  844    H    CYS 103           HN       CYS 103  -3.719  -7.017  13.363
  845    HA   CYS 103           HA       CYS 103  -5.760  -8.209  11.570
  846   1HB   CYS 103           HB2      CYS 103  -4.018  -5.848  10.942
  847   2HB   CYS 103           HB1      CYS 103  -4.412  -6.997   9.661
  848    HA   PRO 104           HA       PRO 104  -1.889 -10.639  12.304
  849   1HB   PRO 104           HB2      PRO 104  -3.580 -12.958  11.982
  850   2HB   PRO 104           HB1      PRO 104  -2.741 -12.403  13.437
  851   1HG   PRO 104           HG2      PRO 104  -5.564 -12.269  12.881
  852   2HG   PRO 104           HG1      PRO 104  -4.716 -11.697  14.325
  853   1HD   PRO 104           HD2      PRO 104  -5.896 -10.108  12.237
  854   2HD   PRO 104           HD1      PRO 104  -5.014  -9.540  13.668
  855    H    VAL 105           HN       VAL 105  -1.219  -9.922  10.117
  856    HA   VAL 105           HA       VAL 105  -2.350 -11.267   7.783
  857    HB   VAL 105           HB       VAL 105  -1.002  -8.965   7.966
  858   1HG1  VAL 105          HG12      VAL 105   1.048 -10.128   8.847
  859   2HG1  VAL 105          HG11      VAL 105   1.202 -10.927   7.282
  860   3HG1  VAL 105          HG13      VAL 105   1.337  -9.172   7.394
  861   1HG2  VAL 105          HG23      VAL 105  -1.403 -10.936   5.833
  862   2HG2  VAL 105          HG22      VAL 105  -1.668  -9.192   5.816
  863   3HG2  VAL 105          HG21      VAL 105  -0.056  -9.844   5.519
  864    H    LYS 106           HN       LYS 106  -1.799 -13.381   7.209
  865    HA   LYS 106           HA       LYS 106   0.882 -14.377   7.898
  866   1HB   LYS 106           HB2      LYS 106  -1.383 -14.804   9.630
  867   2HB   LYS 106           HB1      LYS 106  -0.797 -16.345   9.004
  868   1HG   LYS 106           HG2      LYS 106   1.423 -15.924   9.804
  869   2HG   LYS 106           HG1      LYS 106   1.031 -14.246  10.190
  870   1HD   LYS 106           HD2      LYS 106   0.975 -15.466  12.263
  871   2HD   LYS 106           HD1      LYS 106  -0.701 -15.138  11.821
  872   1HE   LYS 106           HE2      LYS 106  -0.723 -17.432  12.407
  873   2HE   LYS 106           HE1      LYS 106  -0.625 -17.454  10.647
  874   1HZ   LYS 106           HZ2      LYS 106   1.864 -17.530  10.973
  875   2HZ   LYS 106           HZ1      LYS 106   1.552 -17.894  12.602
  876   3HZ   LYS 106           HZ3      LYS 106   1.009 -18.939  11.381
  877    H    GLU 107           HN       GLU 107  -2.349 -15.183   6.562
  878    HA   GLU 107           HA       GLU 107  -1.323 -17.618   5.344
  879   1HB   GLU 107           HB2      GLU 107  -3.486 -17.828   4.278
  880   2HB   GLU 107           HB1      GLU 107  -3.736 -17.305   5.940
  881   1HG   GLU 107           HG2      GLU 107  -3.694 -14.891   4.875
  882   2HG   GLU 107           HG1      GLU 107  -4.094 -15.761   3.393
  883    H    ALA 108           HN       ALA 108   0.525 -16.891   4.210
  884    HA   ALA 108           HA       ALA 108   0.088 -16.255   1.465
  885   1HB   ALA 108           HB2      ALA 108  -0.345 -14.008   2.696
  886   2HB   ALA 108           HB1      ALA 108   1.399 -13.980   2.940
  887   3HB   ALA 108           HB3      ALA 108   0.737 -14.000   1.308
  888    H    ASP 109           HN       ASP 109   1.937 -16.708   0.313
  889    HA   ASP 109           HA       ASP 109   4.276 -17.605   1.886
  890   1HB   ASP 109           HB2      ASP 109   3.199 -18.124  -0.835
  891   2HB   ASP 109           HB1      ASP 109   4.957 -18.110  -0.693
  892    H    GLN 110           HN       GLN 110   6.392 -17.083   0.250
  893    HA   GLN 110           HA       GLN 110   6.650 -14.183   0.559
  894   1HB   GLN 110           HB2      GLN 110   8.417 -16.385   0.515
  895   2HB   GLN 110           HB1      GLN 110   8.836 -15.404  -0.887
  896   1HG   GLN 110           HG2      GLN 110   9.964 -14.045   0.510
  897   2HG   GLN 110           HG1      GLN 110   8.408 -13.552   1.177
  898   1HE2  GLN 110          HE22      GLN 110   9.647 -14.783   4.267
  899   2HE2  GLN 110          HE21      GLN 110   9.204 -13.404   3.382
  900    H    SER 111           HN       SER 111   5.337 -13.214  -1.001
  901    HA   SER 111           HA       SER 111   5.683 -14.007  -3.839
  902   1HB   SER 111           HB2      SER 111   3.494 -13.410  -3.863
  903   2HB   SER 111           HB1      SER 111   3.619 -12.721  -2.249
  904    HG   SER 111           HG       SER 111   3.077 -11.151  -3.824
  905    H    THR 112           HN       THR 112   5.776 -11.817  -5.305
  906    HA   THR 112           HA       THR 112   8.119 -10.326  -4.222
  907    HB   THR 112           HB       THR 112   8.545  -9.675  -6.554
  908    HG1  THR 112           HG1      THR 112   6.773 -11.312  -7.732
  909   1HG2  THR 112          HG23      THR 112   8.043 -12.599  -6.001
  910   2HG2  THR 112          HG22      THR 112   8.773 -12.051  -7.509
  911   3HG2  THR 112          HG21      THR 112   9.577 -11.729  -5.973
  912    H    LEU 113           HN       LEU 113   7.985  -8.074  -3.928
  913    HA   LEU 113           HA       LEU 113   5.393  -6.945  -3.567
  914   1HB   LEU 113           HB2      LEU 113   7.660  -6.159  -2.578
  915   2HB   LEU 113           HB1      LEU 113   7.811  -5.226  -4.070
  916    HG   LEU 113           HG       LEU 113   5.230  -4.667  -3.367
  917   1HD1  LEU 113          HD13      LEU 113   6.841  -5.060  -0.834
  918   2HD1  LEU 113          HD12      LEU 113   5.386  -4.066  -0.906
  919   3HD1  LEU 113          HD11      LEU 113   5.291  -5.793  -1.246
  920   1HD2  LEU 113          HD21      LEU 113   7.857  -3.336  -3.067
  921   2HD2  LEU 113          HD23      LEU 113   6.391  -2.763  -3.860
  922   3HD2  LEU 113          HD22      LEU 113   6.554  -2.646  -2.106
  923    H    GLU 114           HN       GLU 114   7.188  -7.389  -6.477
  924    HA   GLU 114           HA       GLU 114   6.234  -5.127  -7.949
  925   1HB   GLU 114           HB2      GLU 114   7.625  -7.613  -8.503
  926   2HB   GLU 114           HB1      GLU 114   6.411  -7.289  -9.740
  927   1HG   GLU 114           HG2      GLU 114   7.330  -4.991 -10.003
  928   2HG   GLU 114           HG1      GLU 114   8.587  -5.383  -8.828
  929    H    ASN 115           HN       ASN 115   5.007  -8.470  -7.725
  930    HA   ASN 115           HA       ASN 115   2.577  -7.849  -9.192
  931   1HB   ASN 115           HB2      ASN 115   3.907 -10.171  -8.511
  932   2HB   ASN 115           HB1      ASN 115   2.505 -10.213  -7.446
  933   1HD2  ASN 115          HD22      ASN 115   1.354 -11.806 -10.561
  934   2HD2  ASN 115          HD21      ASN 115   2.393 -12.174  -9.272
  935    H    PHE 116           HN       PHE 116   3.532  -7.583  -5.854
  936    HA   PHE 116           HA       PHE 116   0.879  -7.767  -4.714
  937   1HB   PHE 116           HB2      PHE 116   2.753  -8.036  -3.234
  938   2HB   PHE 116           HB1      PHE 116   3.450  -6.497  -3.737
  939    HD1  PHE 116           HD1      PHE 116   0.310  -7.909  -2.246
  940    HD2  PHE 116           HD2      PHE 116   3.021  -4.583  -2.468
  941    HE1  PHE 116           HE1      PHE 116  -0.970  -6.746  -0.470
  942    HE2  PHE 116           HE2      PHE 116   1.740  -3.421  -0.691
  943    HZ   PHE 116           HZ       PHE 116  -0.256  -4.502   0.309
  944    H    LEU 117           HN       LEU 117   2.965  -4.931  -5.366
  945    HA   LEU 117           HA       LEU 117   0.964  -2.974  -4.887
  946   1HB   LEU 117           HB2      LEU 117   3.569  -3.037  -6.358
  947   2HB   LEU 117           HB1      LEU 117   2.482  -1.688  -6.683
  948    HG   LEU 117           HG       LEU 117   3.474  -2.530  -3.940
  949   1HD1  LEU 117          HD12      LEU 117   4.974  -1.282  -5.763
  950   2HD1  LEU 117          HD11      LEU 117   4.056   0.117  -5.205
  951   3HD1  LEU 117          HD13      LEU 117   5.025  -0.814  -4.063
  952   1HD2  LEU 117          HD22      LEU 117   1.293  -0.797  -4.858
  953   2HD2  LEU 117          HD21      LEU 117   1.626  -1.410  -3.238
  954   3HD2  LEU 117          HD23      LEU 117   2.435   0.048  -3.812
  955    H    GLU 118           HN       GLU 118   1.767  -4.886  -7.741
  956    HA   GLU 118           HA       GLU 118   0.237  -3.453  -9.659
  957   1HB   GLU 118           HB2      GLU 118   1.688  -5.208 -10.422
  958   2HB   GLU 118           HB1      GLU 118   0.888  -6.399  -9.398
  959   1HG   GLU 118           HG2      GLU 118  -0.722  -6.773 -10.935
  960   2HG   GLU 118           HG1      GLU 118  -0.988  -5.047 -11.183
  961    NH1  ARG 119           NH2      ARG 119  -5.326 -11.137  -9.205
  962    NH2  ARG 119           NH1      ARG 119  -3.846 -11.611 -10.846
  963    H    ARG 119           HN       ARG 119  -0.713  -6.182  -7.574
  964    HA   ARG 119           HA       ARG 119  -3.488  -6.152  -8.364
  965   1HB   ARG 119           HB2      ARG 119  -2.100  -7.254  -5.900
  966   2HB   ARG 119           HB1      ARG 119  -3.797  -7.537  -6.288
  967   1HG   ARG 119           HG2      ARG 119  -1.864  -8.095  -8.466
  968   2HG   ARG 119           HG1      ARG 119  -1.807  -9.190  -7.085
  969   1HD   ARG 119           HD2      ARG 119  -4.062  -9.841  -7.358
  970   2HD   ARG 119           HD1      ARG 119  -4.427  -8.457  -8.388
  971    HE   ARG 119           HE       ARG 119  -2.488  -9.859  -9.794
  972   1HH1  ARG 119          HH21      ARG 119  -5.597 -10.616  -8.398
  973   2HH1  ARG 119          HH22      ARG 119  -5.941 -11.836  -9.571
  974   1HH2  ARG 119          HH11      ARG 119  -2.969 -11.449 -11.299
  975   2HH2  ARG 119          HH12      ARG 119  -4.471 -12.306 -11.200
  976    H    LEU 120           HN       LEU 120  -1.643  -4.152  -6.208
  977    HA   LEU 120           HA       LEU 120  -3.875  -3.401  -4.507
  978   1HB   LEU 120           HB2      LEU 120  -1.065  -2.871  -4.627
  979   2HB   LEU 120           HB1      LEU 120  -1.915  -1.325  -4.596
  980    HG   LEU 120           HG       LEU 120  -2.658  -3.552  -2.702
  981   1HD1  LEU 120          HD12      LEU 120  -0.137  -2.667  -2.693
  982   2HD1  LEU 120          HD11      LEU 120  -0.873  -1.328  -1.813
  983   3HD1  LEU 120          HD13      LEU 120  -1.010  -2.973  -1.192
  984   1HD2  LEU 120          HD21      LEU 120  -3.396  -0.752  -3.177
  985   2HD2  LEU 120          HD23      LEU 120  -4.260  -2.002  -2.282
  986   3HD2  LEU 120          HD22      LEU 120  -2.982  -1.076  -1.495
  987    H    LYS 121           HN       LYS 121  -2.367  -2.066  -7.431
  988    HA   LYS 121           HA       LYS 121  -4.048   0.302  -7.503
  989   1HB   LYS 121           HB2      LYS 121  -1.751  -0.274  -8.723
  990   2HB   LYS 121           HB1      LYS 121  -2.839  -0.858  -9.981
  991   1HG   LYS 121           HG2      LYS 121  -4.051   1.402  -9.742
  992   2HG   LYS 121           HG1      LYS 121  -2.622   1.935  -8.856
  993   1HD   LYS 121           HD2      LYS 121  -2.366   2.528 -11.207
  994   2HD   LYS 121           HD1      LYS 121  -1.211   1.258 -10.803
  995   1HE   LYS 121           HE2      LYS 121  -2.500  -0.414 -11.885
  996   2HE   LYS 121           HE1      LYS 121  -3.933   0.612 -11.941
  997   1HZ   LYS 121           HZ2      LYS 121  -1.533   1.604 -13.266
  998   2HZ   LYS 121           HZ1      LYS 121  -2.334   0.303 -14.007
  999   3HZ   LYS 121           HZ3      LYS 121  -3.163   1.754 -13.717
 1000    H    THR 122           HN       THR 122  -4.122  -2.882  -8.995
 1001    HA   THR 122           HA       THR 122  -6.339  -2.405 -10.741
 1002    HB   THR 122           HB       THR 122  -6.433  -5.124  -9.939
 1003    HG1  THR 122           HG1      THR 122  -4.047  -5.414 -10.462
 1004   1HG2  THR 122          HG21      THR 122  -6.050  -3.560 -12.271
 1005   2HG2  THR 122          HG23      THR 122  -4.713  -4.707 -12.208
 1006   3HG2  THR 122          HG22      THR 122  -6.376  -5.289 -12.181
 1007    H    ILE 123           HN       ILE 123  -6.197  -3.749  -7.471
 1008    HA   ILE 123           HA       ILE 123  -9.009  -4.221  -7.215
 1009    HB   ILE 123           HB       ILE 123  -6.868  -3.766  -5.124
 1010   1HG1  ILE 123          HG12      ILE 123  -6.694  -5.756  -6.716
 1011   2HG1  ILE 123          HG11      ILE 123  -6.744  -6.153  -4.998
 1012   1HG2  ILE 123          HG23      ILE 123  -9.734  -4.713  -4.879
 1013   2HG2  ILE 123          HG22      ILE 123  -8.523  -4.929  -3.614
 1014   3HG2  ILE 123          HG21      ILE 123  -9.004  -3.305  -4.107
 1015   1HD1  ILE 123          HD13      ILE 123  -9.168  -6.157  -6.823
 1016   2HD1  ILE 123          HD12      ILE 123  -8.254  -7.597  -6.379
 1017   3HD1  ILE 123          HD11      ILE 123  -9.117  -6.685  -5.142
 1018    H    MET 124           HN       MET 124  -6.990  -1.446  -6.250
 1019    HA   MET 124           HA       MET 124  -9.031  -0.002  -4.893
 1020   1HB   MET 124           HB2      MET 124  -6.672   1.090  -6.442
 1021   2HB   MET 124           HB1      MET 124  -7.617   1.976  -5.243
 1022   1HG   MET 124           HG2      MET 124  -6.543  -0.652  -4.375
 1023   2HG   MET 124           HG1      MET 124  -5.358   0.627  -4.626
 1024   1HE   MET 124           HE3      MET 124  -5.275   2.618  -3.878
 1025   2HE   MET 124           HE2      MET 124  -6.597   3.518  -3.141
 1026   3HE   MET 124           HE1      MET 124  -5.323   2.848  -2.125
 1027    NH1  ARG 125           NH2      ARG 125  -6.751   3.182 -14.896
 1028    NH2  ARG 125           NH1      ARG 125  -8.525   4.335 -15.683
 1029    H    ARG 125           HN       ARG 125  -7.920   0.342  -8.257
 1030    HA   ARG 125           HA       ARG 125  -9.850   2.310  -9.000
 1031   1HB   ARG 125           HB2      ARG 125  -7.642   1.363 -10.160
 1032   2HB   ARG 125           HB1      ARG 125  -8.819   0.373 -11.021
 1033   1HG   ARG 125           HG2      ARG 125 -10.048   2.417 -11.680
 1034   2HG   ARG 125           HG1      ARG 125  -8.842   3.402 -10.847
 1035   1HD   ARG 125           HD2      ARG 125  -7.131   2.798 -12.363
 1036   2HD   ARG 125           HD1      ARG 125  -8.031   1.404 -12.953
 1037    HE   ARG 125           HE       ARG 125  -9.623   3.578 -13.625
 1038   1HH1  ARG 125          HH21      ARG 125  -6.322   2.610 -14.200
 1039   2HH1  ARG 125          HH22      ARG 125  -6.233   3.443 -15.710
 1040   1HH2  ARG 125          HH11      ARG 125  -9.469   4.650 -15.587
 1041   2HH2  ARG 125          HH12      ARG 125  -7.994   4.587 -16.492
 1042    H    GLU 126           HN       GLU 126  -9.768  -1.112  -9.983
 1043    HA   GLU 126           HA       GLU 126 -12.232  -1.285 -11.234
 1044   1HB   GLU 126           HB2      GLU 126 -10.307  -3.073 -10.618
 1045   2HB   GLU 126           HB1      GLU 126 -11.567  -3.588  -9.495
 1046   1HG   GLU 126           HG2      GLU 126 -13.163  -3.819 -11.311
 1047   2HG   GLU 126           HG1      GLU 126 -12.006  -3.151 -12.462
 1048    H    LYS 127           HN       LYS 127 -11.703  -1.724  -7.709
 1049    HA   LYS 127           HA       LYS 127 -14.562  -2.184  -7.320
 1050   1HB   LYS 127           HB2      LYS 127 -12.205  -2.671  -5.834
 1051   2HB   LYS 127           HB1      LYS 127 -13.196  -1.586  -4.859
 1052   1HG   LYS 127           HG2      LYS 127 -14.693  -3.216  -4.411
 1053   2HG   LYS 127           HG1      LYS 127 -14.801  -3.681  -6.108
 1054   1HD   LYS 127           HD2      LYS 127 -13.082  -5.236  -5.937
 1055   2HD   LYS 127           HD1      LYS 127 -12.344  -4.421  -4.557
 1056   1HE   LYS 127           HE2      LYS 127 -13.343  -6.070  -3.346
 1057   2HE   LYS 127           HE1      LYS 127 -14.788  -5.077  -3.528
 1058   1HZ   LYS 127           HZ3      LYS 127 -14.740  -6.462  -5.837
 1059   2HZ   LYS 127           HZ2      LYS 127 -14.131  -7.607  -4.740
 1060   3HZ   LYS 127           HZ1      LYS 127 -15.649  -6.893  -4.471
 1061    OH   TYR 128           OH       TYR 128 -10.868   1.257  -0.970
 1062    H    TYR 128           HN       TYR 128 -12.499   0.652  -7.227
 1063    HA   TYR 128           HA       TYR 128 -14.571   2.096  -5.708
 1064   1HB   TYR 128           HB2      TYR 128 -11.876   2.991  -6.738
 1065   2HB   TYR 128           HB1      TYR 128 -13.014   4.072  -5.933
 1066    HD1  TYR 128           HD2      TYR 128 -14.176   2.127  -3.930
 1067    HD2  TYR 128           HD1      TYR 128 -10.124   2.886  -5.139
 1068    HE1  TYR 128           HE2      TYR 128 -13.377   1.335  -1.744
 1069    HE2  TYR 128           HE1      TYR 128  -9.335   2.107  -2.931
 1070    HH   TYR 128           HH       TYR 128 -10.465   2.007  -0.529
 1071    H    SER 129           HN       SER 129 -14.104   1.347  -8.941
 1072    HA   SER 129           HA       SER 129 -15.017   3.849 -10.078
 1073   1HB   SER 129           HB2      SER 129 -14.098   1.448 -11.118
 1074   2HB   SER 129           HB1      SER 129 -15.813   1.416 -11.520
 1075    HG   SER 129           HG       SER 129 -14.928   2.556 -13.141
 1076    H    LYS 130           HN       LYS 130 -16.512   1.382  -8.205
 1077    HA   LYS 130           HA       LYS 130 -19.207   2.380  -9.002
 1078   1HB   LYS 130           HB2      LYS 130 -18.424  -0.150  -9.324
 1079   2HB   LYS 130           HB1      LYS 130 -18.872  -0.245  -7.620
 1080   1HG   LYS 130           HG2      LYS 130 -21.019   1.093  -8.561
 1081   2HG   LYS 130           HG1      LYS 130 -20.592   0.178 -10.008
 1082   1HD   LYS 130           HD2      LYS 130 -20.982  -1.028  -7.254
 1083   2HD   LYS 130           HD1      LYS 130 -22.184  -1.057  -8.544
 1084   1HE   LYS 130           HE2      LYS 130 -19.459  -2.045  -9.232
 1085   2HE   LYS 130           HE1      LYS 130 -20.432  -3.063  -8.170
 1086   1HZ   LYS 130           HZ3      LYS 130 -21.318  -1.992 -10.795
 1087   2HZ   LYS 130           HZ2      LYS 130 -20.781  -3.579 -10.516
 1088   3HZ   LYS 130           HZ1      LYS 130 -22.208  -3.022  -9.783
 1089    H    CYS 131           HN       CYS 131 -16.998   2.843  -6.629
 1090    HA   CYS 131           HA       CYS 131 -18.271   2.232  -4.182
 1091   1HB   CYS 131           HB2      CYS 131 -16.078   3.128  -4.022
 1092   2HB   CYS 131           HB1      CYS 131 -16.485   4.520  -5.026
 1093    H    SER 132           HN       SER 132 -18.437   5.298  -6.000
 1094    HA   SER 132           HA       SER 132 -20.967   5.946  -4.589
 1095   1HB   SER 132           HB2      SER 132 -20.461   7.984  -6.422
 1096   2HB   SER 132           HB1      SER 132 -20.057   8.021  -4.709
 1097    HG   SER 132           HG       SER 132 -18.010   7.429  -5.174
 1098    H    SER 133           HN       SER 133 -22.881   6.484  -5.932
 1099    HA   SER 133           HA       SER 133 -22.753   5.201  -8.633
 1100   1HB   SER 133           HB2      SER 133 -24.763   4.845  -6.420
 1101   2HB   SER 133           HB1      SER 133 -25.216   4.564  -8.098
 1102    HG   SER 133           HG       SER 133 -22.836   3.421  -7.523