*HEADER   CALCIUM-BINDING PROTEIN                 16-JUL-92   2BBM    
*COMPND   CALMODULIN (CALCIUM-BOUND) COMPLEXED WITH RABBIT SKELETAL   
*COMPND  2 MYOSIN LIGHT CHAIN KINASE (CALMODULIN-BINDING DOMAIN)      
*COMPND  3 (NMR, MINIMIZED AVERAGE STRUCTURE)                         
*SOURCE   CALMODULIN: (DROSOPHILA MELANOGASTER); PEPTIDE: SYNTHETIC   
*AUTHOR   G.M.CLORE,A.BAX,M.IKURA,A.M.GRONENBORN                      
*REVDAT  1   31-JAN-94 2BBM    0                                      

REMARK Ident code 1BBM  Revised restraints list
REMARK Experimental NMR restraints used to determine the
REMARK three-dimensional structure of the complex of drosophila
REMARK calmodulin with a 26 residue peptide comprising the calmodulin
REMARK binding domain of skeltal muscle myosin light chain kinase.
REMARKS
REMARKS
REMARK Authors: M. Ikura, G.M. Clore, A. Bax and A.M. Gronenborn
REMARK
REMARK References
REMARK
REMARK 1. M. Ikura, G.M. Clore*, A.M. Gronenborn*, G. Zhu, C.B. Klee & A. Bax*
REMARK    (1992) Solution structure of a ccalmodulin-target peptide complex by
REMARK    multidimensional NMR. Science in press
REMARK
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 1827 interproton distance restraints
REMARK    derived from NOE measurements; 148 hydrogen-bonding distance
REMARK    restraints for 74 hydrogen-bonds identified on the basis of the
REMARK    NOE and amide proton exchange data, as well as the initial structure
REMARK    calculations; 24 restraints for the 4 calcium ions, and 113 phi
REMARK    torsion angle restraints derived from oupling constants, NOE data, 
REMARK    and 13C 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    All the coordinates
REMARK    are included here as a separate file: cam_brookhaven.pdb
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.


!! calmodulin intraresidue NOEs
! A1
assign (resid    1 and  name HA   )(resid    1 and  name HB#  ) 2.5 2.2 1.7 !#
! D2
assign (resid    2 and  name HA   )(resid    2 and  name HB#  ) 3.0 2.2 1.3 !#
! Q3
assign (resid    3 and  name HA   )(resid    3 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid    3 and  name HA   )(resid    3 and  name HG#  ) 3.0 1.8 0.9 !#
assign (resid    3 and  name HN   )(resid    3 and  name HA   ) 4.0 2.2 1.0
assign (resid    3 and  name HN   )(resid    3 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid    3 and  name HN   )(resid    3 and  name HG#  ) 3.0 2.2 1.3 !#
assign (resid    3 and  name HB#  )(resid    3 and  name HG#  ) 3.0 3.2 2.3 ! !#
! L4
assign (resid    4 and  name HN   )(resid    4 and  name HB#  ) 3.0 1.8 0.9 !#
assign (resid    4 and  name HN   )(resid    4 and  name HD#  ) 4.0 3.9 2.7 !#
assign (resid    4 and  name HN   )(resid    4 and  name HA   ) 3.0 1.2 0.3
assign (resid    4 and  name HA   )(resid    4 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid    4 and  name HA   )(resid    4 and  name HD#  ) 2.5 2.4 1.9 !#
assign (resid    4 and  name HB#  )(resid    4 and  name HD#  ) 2.5 3.4 2.9 ! !#
! T5
assign (resid    5 and  name HN   )(resid    5 and  name HA   ) 3.0 1.2 0.3
assign (resid    5 and  name HN   )(resid    5 and  name HG2# ) 2.5 2.2 1.7 !#
assign (resid    5 and  name HN   )(resid    5 and  name HB   ) 4.0 2.2 1.0
assign (resid    5 and  name HN   )(resid    5 and  name HA   ) 4.0 2.2 1.0
assign (resid    5 and  name HA   )(resid    5 and  name HB   ) 2.5 0.7 0.2
assign (resid    5 and  name HA   )(resid    5 and  name HG2# ) 2.5 1.8 1.3 !#
assign (resid    5 and  name HB   )(resid    5 and  name HG2# ) 2.5 2.2 1.7 !#
! E6
assign (resid    6 and  name HN   )(resid    6 and  name HA   ) 2.5 0.7 0.2
assign (resid    6 and  name HN   )(resid    6 and  name HB#  ) 4.0 1.8 1.6 !#
assign (resid    6 and  name HN   )(resid    6 and  name HG#  ) 3.0 2.2 1.3 !#
assign (resid    6 and  name HA   )(resid    6 and  name HB#  ) 2.5 1.7 1.2 !#
! E7
assign (resid    7 and  name HN   )(resid    7 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid    7 and  name HN   )(resid    7 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid    7 and  name HN   )(resid    7 and  name HA   ) 2.5 0.7 0.2
assign (resid    7 and  name HA   )(resid    7 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid    7 and  name HA   )(resid    7 and  name HG#  ) 2.5 1.3 0.8 !#
assign (resid    7 and  name HG#  )(resid    7 and  name HB#  ) 4.0 4.2 3.0 ! !#
! Q8
assign (resid    8 and  name HN   )(resid    8 and  name HA   ) 3.0 1.2 0.3
assign (resid    8 and  name HN   )(resid    8 and  name HB#  ) 3.0 1.8 0.9 !#
assign (resid    8 and  name HN   )(resid    8 and  name HG#  ) 3.0 2.2 1.3 !#
assign (resid    8 and  name HA   )(resid    8 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid    8 and  name HA   )(resid    8 and  name HG#  ) 3.0 1.8 0.9 !#
! I9
assign (resid    9 and  name HN   )(resid    9 and  name HA   ) 2.5 0.7 0.2
assign (resid    9 and  name HN   )(resid    9 and  name HB   ) 3.0 1.2 0.3
assign (resid    9 and  name HN   )(resid    9 and  name HG1# ) 3.0 2.2 1.3 !#
assign (resid    9 and  name HN   )(resid    9 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid    9 and  name HN   )(resid    9 and  name HD#  ) 4.0 3.7 2.5 !#
assign (resid    9 and  name HA   )(resid    9 and  name HB   ) 4.0 2.2 1.0
assign (resid    9 and  name HA   )(resid    9 and  name HG1# ) 4.0 2.8 1.6 !#
assign (resid    9 and  name HA   )(resid    9 and  name HG2# ) 2.5 1.8 1.3 !#
assign (resid    9 and  name HA   )(resid    9 and  name HD#  ) 3.0 2.7 1.8 !#
assign (resid    9 and  name HB   )(resid    9 and  name HG2# ) 2.5 2.2 1.7 !#
assign (resid    9 and  name HB   )(resid    9 and  name HG1# ) 2.5 1.7 1.2 !#
assign (resid    9 and  name HB   )(resid    9 and  name HD#  ) 2.5 2.2 1.7 !#
assign (resid    9 and  name HG2# )(resid    9 and  name HG1# ) 3.0 3.7 2.8 ! !#
assign (resid    9 and  name HG2# )(resid    9 and  name HD#  ) 3.0 4.2 3.3 ! !#
assign (resid    9 and  name HD#  )(resid    9 and  name HG1# ) 2.5 3.2 2.7 ! !#
! A10
assign (resid   10 and  name HN   )(resid   10 and  name HA   ) 2.5 0.7 0.2
assign (resid   10 and  name HN   )(resid   10 and  name HB#  ) 2.5 1.8 1.3 !#
assign (resid   10 and  name HA   )(resid   10 and  name HB#  ) 2.5 2.2 1.7 !#
! E11
assign (resid   11 and  name HN   )(resid   11 and  name HA   ) 3.0 1.2 0.3
assign (resid   11 and  name HN   )(resid   11 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   11 and  name HN   )(resid   11 and  name HG#  ) 3.0 2.2 1.3 !#
! F12
assign (resid   12 and  name HN   )(resid   12 and  name HD#  ) 4.0 4.2 3.0 !#
assign (resid   12 and  name HN   )(resid   12 and  name HB#  ) 3.0 1.8 0.9 !#
assign (resid   12 and  name HN   )(resid   12 and  name HA   ) 4.0 2.2 1.0
assign (resid   12 and  name HN   )(resid   12 and  name HA   ) 3.0 1.2 0.3
assign (resid   12 and  name HA   )(resid   12 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   12 and  name HA   )(resid   12 and  name HD#  ) 4.0 4.2 3.0 !#
! K13
assign (resid   13 and  name HN   )(resid   13 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   13 and  name HN   )(resid   13 and  name HA   ) 4.0 2.2 1.0
assign (resid   13 and  name HN   )(resid   13 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   13 and  name HA   )(resid   13 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   13 and  name HA   )(resid   13 and  name HG#  ) 3.0 1.8 0.9 !#
assign (resid   13 and  name HA   )(resid   13 and  name HD#  ) 4.0 3.2 2.0 !#
assign (resid   13 and  name HB#  )(resid   13 and  name HG#  ) 3.0 3.2 2.3 ! !#
assign (resid   13 and  name HE#  )(resid   13 and  name HB#  ) 4.0 4.2 3.0 ! !#
assign (resid   13 and  name HE#  )(resid   13 and  name HD#  ) 4.0 4.2 3.0 ! !#
!E14
assign (resid   14 and  name HN   )(resid   14 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   14 and  name HN   )(resid   14 and  name HA   ) 3.0 1.2 0.3
assign (resid   14 and  name HN   )(resid   14 and  name HA   ) 3.0 1.2 0.3
assign (resid   14 and  name HN   )(resid   14 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   14 and  name HA   )(resid   14 and  name HB#  ) 3.0 2.2 1.3 !#
! A15
assign (resid   15 and  name HN   )(resid   15 and  name HA   ) 3.0 1.2 0.3
assign (resid   15 and  name HN   )(resid   15 and  name HB#  ) 2.5 1.8 1.3 !#
assign (resid   15 and  name HA   )(resid   15 and  name HB#  ) 2.5 2.2 1.7 !#
! F16
assign (resid   16 and  name HN   )(resid   16 and  name HE#  ) 4.0 4.2 3.0 !#
assign (resid   16 and  name HN   )(resid   16 and  name HD#  ) 4.0 4.2 3.0 !#
assign (resid   16 and  name HN   )(resid   16 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   16 and  name HN   )(resid   16 and  name HA   ) 4.0 2.2 1.0
assign (resid   16 and  name HA   )(resid   16 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   16 and  name HA   )(resid   16 and  name HD#  ) 4.0 4.2 3.0 !#
! S17
assign (resid   17 and  name HN   )(resid   17 and  name HA   ) 3.0 1.2 0.3
assign (resid   17 and  name HN   )(resid   17 and  name HB#  ) 3.0 1.8 0.9 !#
assign (resid   17 and  name HA   )(resid   17 and  name HB#  ) 2.5 1.7 1.2 !#
! L18
assign (resid   18 and  name HN   )(resid   18 and  name HD#  ) 4.0 3.9 2.7 !#
assign (resid   18 and  name HN   )(resid   18 and  name HA   ) 2.5 0.7 0.2
assign (resid   18 and  name HN   )(resid   18 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   18 and  name HN   )(resid   18 and  name HG#  ) 4.0 2.2 1.0
assign (resid   18 and  name HA   )(resid   18 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   18 and  name HA   )(resid   18 and  name HG   ) 4.0 2.2 1.0
assign (resid   18 and  name HA   )(resid   18 and  name HD#  ) 2.5 2.4 1.9 !#
assign (resid   18 and  name HB#  )(resid   18 and  name HD#  ) 4.0 4.9 3.7 ! !#
assign (resid   18 and  name HB#  )(resid   18 and  name HG   ) 4.0 3.2 2.0 !
assign (resid   18 and  name HD#  )(resid   18 and  name HG   ) 2.5 2.4 1.9 !
! F19
assign (resid   19 and  name HN   )(resid   19 and  name HB#  ) 4.0 2.8 1.6 !#
assign (resid   19 and  name HA   )(resid   19 and  name HB#  ) 4.0 3.2 2.0 !#
! D20
assign (resid   20 and  name HN   )(resid   20 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   20 and  name HN   )(resid   20 and  name HA   ) 4.0 2.2 1.0
! K21
assign (resid   21 and  name HN   )(resid   21 and  name HA   ) 2.5 0.7 0.2
assign (resid   21 and  name HN   )(resid   21 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   21 and  name HN   )(resid   21 and  name HG#  ) 3.0 2.2 1.3 !#
assign (resid   21 and  name HN   )(resid   21 and  name HD#  ) 3.0 2.2 1.3 !#
assign (resid   21 and  name HA   )(resid   21 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   21 and  name HA   )(resid   21 and  name HG#  ) 4.0 2.8 1.6 !#
assign (resid   21 and  name HA   )(resid   21 and  name HD#  ) 4.0 3.2 2.0 !#
! D22
assign (resid   22 and  name HN   )(resid   22 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   22 and  name HA   )(resid   22 and  name HB#  ) 2.5 1.7 1.2 !#
! G23
assign (resid   23 and  name HN   )(resid   23 and  name HA#  ) 3.0 1.8 0.9 !#
! D24
assign (resid   24 and  name HN   )(resid   24 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   24 and  name HN   )(resid   24 and  name HA   ) 3.0 1.2 0.3
assign (resid   24 and  name HA   )(resid   24 and  name HB#  ) 2.5 1.7 1.2 !#
! G25
assign (resid   25 and  name HN   )(resid   25 and  name HA#  ) 4.0 2.8 1.6 !#
! T26
assign (resid   26 and  name HN   )(resid   26 and  name HA   ) 2.5 0.7 0.2
assign (resid   26 and  name HN   )(resid   26 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid   26 and  name HN   )(resid   26 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid   26 and  name HA   )(resid   26 and  name HB   ) 2.5 0.7 0.2
assign (resid   26 and  name HA   )(resid   26 and  name HG2# ) 2.5 1.8 1.3 !#
assign (resid   26 and  name HB   )(resid   26 and  name HG2# ) 2.5 2.2 1.7 !#
! I27
assign (resid   27 and  name HN   )(resid   27 and  name HB   ) 3.0 1.2 0.3
assign (resid   27 and  name HA   )(resid   27 and  name HB   ) 4.0 2.2 1.0
assign (resid   27 and  name HA   )(resid   27 and  name HG1# ) 4.0 2.8 1.6 !#
assign (resid   27 and  name HA   )(resid   27 and  name HG2# ) 2.5 1.8 1.3 !#
assign (resid   27 and  name HA   )(resid   27 and  name HD#  ) 3.0 2.7 1.8 !#
assign (resid   27 and  name HG2# )(resid   27 and  name HD#  ) 2.5 3.7 3.2 ! !#
assign (resid   27 and  name HG2# )(resid   27 and  name HB   ) 2.5 2.2 1.7 !
assign (resid   27 and  name HD#  )(resid   27 and  name HB   ) 2.5 2.2 1.7 !
assign (resid   27 and  name HD#  )(resid   27 and  name HG1# ) 2.5 3.2 2.7 ! !#
! T28
assign (resid   28 and  name HN   )(resid   28 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid   28 and  name HN   )(resid   28 and  name HA   ) 4.0 2.2 1.0
assign (resid   28 and  name HA   )(resid   28 and  name HB   ) 4.0 2.2 1.0
assign (resid   28 and  name HA   )(resid   28 and  name HG2# ) 2.5 1.8 1.3 !#
! T29
assign (resid   29 and  name HN   )(resid   29 and  name HB   ) 4.0 2.2 1.0
assign (resid   29 and  name HN   )(resid   29 and  name HA   ) 3.0 1.2 0.3
assign (resid   29 and  name HN   )(resid   29 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid   29 and  name HA   )(resid   29 and  name HB   ) 2.5 0.7 0.2
assign (resid   29 and  name HA   )(resid   29 and  name HG2# ) 2.5 1.8 1.3 !#
assign (resid   29 and  name HG2# )(resid   29 and  name HB   ) 2.5 2.2 1.7 !
! K30
assign (resid   30 and  name HN   )(resid   30 and  name HA   ) 3.0 1.2 0.3
assign (resid   30 and  name HN   )(resid   30 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   30 and  name HA   )(resid   30 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   30 and  name HA   )(resid   30 and  name HG#  ) 3.0 1.8 0.9 !#
assign (resid   30 and  name HA   )(resid   30 and  name HD#  ) 4.0 3.2 2.0 !#
! E31
assign (resid   31 and  name HN   )(resid   31 and  name HA   ) 3.0 1.2 0.3
assign (resid   31 and  name HN   )(resid   31 and  name HB#  ) 3.0 1.8 0.9 !#
assign (resid   31 and  name HA   )(resid   31 and  name HB#  ) 3.0 2.2 1.3 !#
! L32
assign (resid   32 and  name HN   )(resid   32 and  name HG   ) 4.0 2.2 1.0
assign (resid   32 and  name HN   )(resid   32 and  name HD#  ) 4.0 3.9 2.7 !#
assign (resid   32 and  name HN   )(resid   32 and  name HB#  ) 3.0 1.8 0.9 !#
assign (resid   32 and  name HA   )(resid   32 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   32 and  name HA   )(resid   32 and  name HG   ) 3.0 1.2 0.3
assign (resid   32 and  name HA   )(resid   32 and  name HD#  ) 2.5 2.4 1.9 !#
assign (resid   32 and  name HD#  )(resid   32 and  name HB#  ) 2.5 3.4 2.9 ! !#
assign (resid   32 and  name HD#  )(resid   32 and  name HG   ) 3.0 2.9 2.0 !
! G33
assign (resid   33 and  name HN   )(resid   33 and  name HA#  ) 4.0 2.8 1.6 !#
! T34
assign (resid   34 and  name HN   )(resid   34 and  name HB   ) 4.0 2.2 1.0
assign (resid   34 and  name HN   )(resid   34 and  name HA   ) 2.5 0.7 0.2
assign (resid   34 and  name HA   )(resid   34 and  name HB   ) 2.5 0.7 0.2
assign (resid   34 and  name HA   )(resid   34 and  name HG2# ) 2.5 1.8 1.3 !#
! V35
assign (resid   35 and  name HN   )(resid   35 and  name HG*  ) 4.0 3.9 2.7 !#
assign (resid   35 and  name HN   )(resid   35 and  name HA   ) 3.0 1.2 0.3
assign (resid   35 and  name HN   )(resid   35 and  name HB   ) 2.5 0.7 0.2
assign (resid   35 and  name HA   )(resid   35 and  name HB   ) 3.0 1.2 0.3
assign (resid   35 and  name HA   )(resid   35 and  name HG*  ) 2.5 1.3 0.8 !#
assign (resid   35 and  name HG*  )(resid   35 and  name HB   ) 2.5 2.4 1.9 !
! M36
assign (resid   36 and  name HN   )(resid   36 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   36 and  name HN   )(resid   36 and  name HA   ) 2.5 0.7 0.2
assign (resid   36 and  name HN   )(resid   36 and  name HG#  ) 3.0 2.2 1.3 !#
assign (resid   36 and  name HA   )(resid   36 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   36 and  name HA   )(resid   36 and  name HG#  ) 4.0 2.8 1.6 !#
! R37
assign (resid   37 and  name HN   )(resid   37 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   37 and  name HN   )(resid   37 and  name HA   ) 2.5 0.7 0.2
assign (resid   37 and  name HA   )(resid   37 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   37 and  name HA   )(resid   37 and  name HG#  ) 2.5 1.3 0.8 !#
assign (resid   37 and  name HA   )(resid   37 and  name HD#  ) 4.0 3.2 2.0 !#
! S38
assign (resid   38 and  name HN   )(resid   38 and  name HA   ) 3.0 1.2 0.3
assign (resid   38 and  name HN   )(resid   38 and  name HB#  ) 3.0 1.8 0.9 !#
assign (resid   38 and  name HA   )(resid   38 and  name HB#  ) 2.5 1.7 1.2 !#
! L39
assign (resid   39 and  name HN   )(resid   39 and  name HD#  ) 4.0 3.9 2.7 !#
assign (resid   39 and  name HN   )(resid   39 and  name HA   ) 3.0 1.2 0.3
assign (resid   39 and  name HN   )(resid   39 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   39 and  name HA   )(resid   39 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   39 and  name HA   )(resid   39 and  name HG#  ) 3.0 1.2 0.3
assign (resid   39 and  name HA   )(resid   39 and  name HD#  ) 3.0 2.9 2.0 !#
assign (resid   39 and  name HD#  )(resid   39 and  name HB#  ) 2.5 3.4 2.9 ! !#
assign (resid   39 and  name HD#  )(resid   39 and  name HG   ) 2.5 2.4 1.9 !
! G40
assign (resid   40 and  name HN   )(resid   40 and  name HA#  ) 2.5 1.3 0.8 !#
! Q41
assign (resid   41 and  name HN   )(resid   41 and  name HB#  ) 3.0 1.8 0.9 !#
assign (resid   41 and  name HN   )(resid   41 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   41 and  name HN   )(resid   41 and  name HA   ) 3.0 1.2 0.3
assign (resid   41 and  name HA   )(resid   41 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   41 and  name HA   )(resid   41 and  name HG#  ) 2.5 1.3 0.8 !#
! N42
assign (resid   42 and  name HN   )(resid   42 and  name HB#  ) 3.0 1.8 0.9 !#
assign (resid   42 and  name HN   )(resid   42 and  name HA   ) 4.0 2.2 1.0
assign (resid   42 and  name HA   )(resid   42 and  name HB#  ) 2.5 1.7 1.2 !#
! P43
assign (resid   43 and  name HA   )(resid   43 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   43 and  name HA   )(resid   43 and  name HD#  ) 4.0 3.2 2.0 !#
assign (resid   43 and  name HB#  )(resid   43 and  name HD#  ) 4.0 4.2 3.0 ! !#
! T44
assign (resid   44 and  name HN   )(resid   44 and  name HB   ) 4.0 2.2 1.0
assign (resid   44 and  name HN   )(resid   44 and  name HG2# ) 2.5 2.2 1.7 !#
assign (resid   44 and  name HA   )(resid   44 and  name HB   ) 2.5 0.7 0.2
assign (resid   44 and  name HA   )(resid   44 and  name HG2# ) 2.5 1.8 1.3 !#
! E45
assign (resid   45 and  name HN   )(resid   45 and  name HA   ) 3.0 1.2 0.3
assign (resid   45 and  name HN   )(resid   45 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   45 and  name HA   )(resid   45 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   45 and  name HA   )(resid   45 and  name HG#  ) 2.5 1.3 0.8 !#
! A46
assign (resid   46 and  name HN   )(resid   46 and  name HA   ) 2.5 0.7 0.2
assign (resid   46 and  name HN   )(resid   46 and  name HB#  ) 2.5 1.8 1.3 !#
assign (resid   46 and  name HA   )(resid   46 and  name HB#  ) 3.0 2.7 1.8 !#
! E47 
assign (resid   47 and  name HN   )(resid   47 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   47 and  name HN   )(resid   47 and  name HA   ) 4.0 2.2 1.0
assign (resid   47 and  name HA   )(resid   47 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   47 and  name HA   )(resid   47 and  name HG#  ) 3.0 1.8 0.9 !#
! L48
assign (resid   48 and  name HN   )(resid   48 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   48 and  name HN   )(resid   48 and  name HA   ) 3.0 1.2 0.3
assign (resid   48 and  name HN   )(resid   48 and  name HD#  ) 4.0 3.9 2.7 !#
assign (resid   48 and  name HN   )(resid   48 and  name HG   ) 4.0 2.2 1.0
assign (resid   48 and  name HA   )(resid   48 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   48 and  name HA   )(resid   48 and  name HG   ) 4.0 2.2 1.0
assign (resid   48 and  name HA   )(resid   48 and  name HD#  ) 2.5 2.4 1.9 !#
assign (resid   48 and  name HD#  )(resid   48 and  name HB#  ) 3.0 3.9 3.0 ! !#
assign (resid   48 and  name HD#  )(resid   48 and  name HG   ) 3.0 2.9 2.0 !
! Q49
assign (resid   49 and  name HN   )(resid   49 and  name HA   ) 3.0 1.2 0.3
assign (resid   49 and  name HN   )(resid   49 and  name HB#  ) 3.0 1.8 0.9 !#
assign (resid   49 and  name HN   )(resid   49 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   49 and  name HA   )(resid   49 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   49 and  name HA   )(resid   49 and  name HG#  ) 2.5 1.3 0.8 !#
! D50
assign (resid   50 and  name HN   )(resid   50 and  name HA   ) 4.0 2.2 1.0
assign (resid   50 and  name HA   )(resid   50 and  name HB#  ) 2.5 1.7 1.2 !#
! M51
assign (resid   51 and  name HN   )(resid   51 and  name HB#  ) 4.0 2.8 1.6 !#
assign (resid   51 and  name HN   )(resid   51 and  name HG#  ) 3.0 2.2 1.3 !#
assign (resid   51 and  name HN   )(resid   51 and  name HA   ) 2.5 0.7 0.2
assign (resid   51 and  name HA   )(resid   51 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   51 and  name HA   )(resid   51 and  name HG#  ) 3.0 1.8 0.9 !#
assign (resid   51 and  name HE#  )(resid   51 and  name HG#  ) 3.0 3.7 2.8 ! !#
! I52
assign (resid   52 and  name HN   )(resid   52 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   52 and  name HN   )(resid   52 and  name HD#  ) 4.0 3.7 2.5 !#
assign (resid   52 and  name HN   )(resid   52 and  name HG1# ) 3.0 2.2 1.3 !#
assign (resid   52 and  name HN   )(resid   52 and  name HA   ) 4.0 2.2 1.0
assign (resid   52 and  name HN   )(resid   52 and  name HB   ) 3.0 1.2 0.3
assign (resid   52 and  name HA   )(resid   52 and  name HB   ) 4.0 2.2 1.0
assign (resid   52 and  name HA   )(resid   52 and  name HG1# ) 3.0 1.8 0.9 !#
assign (resid   52 and  name HA   )(resid   52 and  name HD#  ) 2.5 2.2 1.7 !#
assign (resid   52 and  name HG2# )(resid   52 and  name HB   ) 2.5 2.2 1.7 !
assign (resid   52 and  name HG2# )(resid   52 and  name HG1# ) 3.0 3.7 2.8 ! !#
assign (resid   52 and  name HB   )(resid   52 and  name HD#  ) 2.5 2.2 1.7 !#
assign (resid   52 and  name HB   )(resid   52 and  name HG1# ) 4.0 3.2 2.0 !#
! N53
assign (resid   53 and  name HN   )(resid   53 and  name HA   ) 3.0 1.2 0.3
assign (resid   53 and  name HN   )(resid   53 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   53 and  name HA   )(resid   53 and  name HB#  ) 2.5 1.7 1.2 !#
! E54
assign (resid   54 and  name HN   )(resid   54 and  name HB#  ) 3.0 1.8 0.9 !#
assign (resid   54 and  name HN   )(resid   54 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   54 and  name HN   )(resid   54 and  name HA   ) 2.5 0.7 0.2
assign (resid   54 and  name HA   )(resid   54 and  name HG#  ) 3.0 1.8 0.9 !#
assign (resid   54 and  name HA   )(resid   54 and  name HB#  ) 3.0 2.2 1.3 !#
! V55
assign (resid   55 and  name HN   )(resid   55 and  name HB   ) 4.0 2.2 1.0
assign (resid   55 and  name HN   )(resid   55 and  name HG*  ) 2.5 2.4 1.9 !#
assign (resid   55 and  name HN   )(resid   55 and  name HA   ) 4.0 2.2 1.0
assign (resid   55 and  name HA   )(resid   55 and  name HB   ) 2.5 0.7 0.2
assign (resid   55 and  name HA   )(resid   55 and  name HG*  ) 2.5 1.3 0.8 !#
assign (resid   55 and  name HB   )(resid   55 and  name HG*  ) 2.5 2.4 1.9 !#
! D56
assign (resid   56 and  name HN   )(resid   56 and  name HA   ) 3.0 1.2 0.3
assign (resid   56 and  name HN   )(resid   56 and  name HB#  ) 3.0 1.8 0.9 !#
assign (resid   56 and  name HA   )(resid   56 and  name HB#  ) 3.0 2.2 1.3 !#
! A57
assign (resid   57 and  name HN   )(resid   57 and  name HA   ) 2.5 0.7 0.2
assign (resid   57 and  name HN   )(resid   57 and  name HB#  ) 2.5 1.8 1.3 !#
assign (resid   57 and  name HA   )(resid   57 and  name HB#  ) 2.5 2.2 1.7 !#
! D58
assign (resid   58 and  name HN   )(resid   58 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   58 and  name HN   )(resid   58 and  name HA   ) 2.5 0.7 0.2
assign (resid   58 and  name HA   )(resid   58 and  name HB#  ) 2.5 1.7 1.2 !#
!G59
assign (resid   59 and  name HN   )(resid   59 and  name HA#  ) 2.5 1.3 0.8 !#
! N60
assign (resid   60 and  name HN   )(resid   60 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   60 and  name HN   )(resid   60 and  name HA   ) 3.0 1.2 0.3
assign (resid   60 and  name HA   )(resid   60 and  name HB#  ) 2.5 1.7 1.2 !#
! G61
assign (resid   61 and  name HN   )(resid   61 and  name HA#  ) 2.5 1.3 0.8 !#
! T62
assign (resid   62 and  name HN   )(resid   62 and  name HA   ) 4.0 2.2 1.0
assign (resid   62 and  name HN   )(resid   62 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid   62 and  name HA   )(resid   62 and  name HB   ) 2.5 0.7 0.2
assign (resid   62 and  name HA   )(resid   62 and  name HG2# ) 2.5 1.8 1.3 !#
assign (resid   62 and  name HB   )(resid   62 and  name HG2# ) 2.5 2.2 1.7 !#
! I63
assign (resid   63 and  name HN   )(resid   63 and  name HA   ) 4.0 2.2 1.0
assign (resid   63 and  name HN   )(resid   63 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   63 and  name HN   )(resid   63 and  name HG1# ) 4.0 3.2 2.0 !#
assign (resid   63 and  name HN   )(resid   63 and  name HD#  ) 4.0 3.7 2.5 !#
assign (resid   63 and  name HN   )(resid   63 and  name HB   ) 3.0 1.2 0.8
assign (resid   63 and  name HA   )(resid   63 and  name HB   ) 4.0 2.2 1.0
assign (resid   63 and  name HA   )(resid   63 and  name HG1# ) 4.0 2.8 1.6 !#
assign (resid   63 and  name HA   )(resid   63 and  name HG2# ) 4.0 3.3 2.1 !#
assign (resid   63 and  name HA   )(resid   63 and  name HD#  ) 4.0 3.7 2.5 !#
assign (resid   63 and  name HD#  )(resid   63 and  name HB   ) 2.5 2.2 1.7 !
assign (resid   63 and  name HD#  )(resid   63 and  name HG1# ) 2.5 3.2 2.7 ! !#
assign (resid   63 and  name HD#  )(resid   63 and  name HG2# ) 2.5 3.7 3.2 ! !#
! D64
assign (resid   64 and  name HN   )(resid   64 and  name HA   ) 4.0 2.2 1.0
assign (resid   64 and  name HN   )(resid   64 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   64 and  name HA   )(resid   64 and  name HB#  ) 2.5 1.7 1.2 !#
! F65
assign (resid   65 and  name HN   )(resid   65 and  name HE#  ) 4.0 4.2 3.0 !#
assign (resid   65 and  name HN   )(resid   65 and  name HD#  ) 4.0 4.2 3.0 !#
assign (resid   65 and  name HN   )(resid   65 and  name HA   ) 4.0 2.2 1.0
assign (resid   65 and  name HN   )(resid   65 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   65 and  name HA   )(resid   65 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   65 and  name HA   )(resid   65 and  name HD#  ) 4.0 4.2 3.0 !#
! P66
assign (resid   66 and  name HA   )(resid   66 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   66 and  name HA   )(resid   66 and  name HG#  ) 3.0 1.8 0.9 !#
assign (resid   66 and  name HA   )(resid   69 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   66 and  name HA   )(resid   69 and  name HD#  ) 4.0 4.6 3.4 !#
! E67
assign (resid   67 and  name HN   )(resid   67 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   67 and  name HN   )(resid   67 and  name HA   ) 4.0 2.2 1.0
assign (resid   67 and  name HN   )(resid   67 and  name HB#  ) 4.0 2.8 1.6 !#
assign (resid   67 and  name HN   )(resid   67 and  name HB#  ) 4.0 2.8 1.6 !#
assign (resid   67 and  name HN   )(resid   67 and  name HB#  ) 4.0 2.8 1.6 !#
assign (resid   67 and  name HA   )(resid   67 and  name HB#  ) 2.5 1.7 1.2 !#
!residue 68 phe
assign (resid   68 and  name HN   )(resid   68 and   name HA   ) 3.5 1.7 0.5
assign (resid   68 and   name HN   )(resid   68 and   name HD#  ) 4.0 4.2 3.0 !#
assign (resid   68 and   name HN   )(resid   68 and   name HB#  ) 3.5 2.3 1.1 !#
assign (resid   68 and   name HA   )(resid   68 and   name HB#  ) 3.0 2.2 1.3 !#
!residue 69 leu
assign (resid   69 and   name HN   )(resid   69 and   name HA   ) 3.5 1.7 0.5
assign (resid   69 and   name HN   )(resid   69 and   name HB#  ) 3.0 1.8 0.9 !#
assign (resid   69 and   name HN   )(resid   69 and   name HG   ) 3.5 1.7 0.5
assign (resid   69 and   name HN   )(resid   69 and   name HB#  ) 4.0 2.8 1.6 !#
assign (resid   69 and   name HN   )(resid   69 and   name HD#  ) 4.0 3.9 2.7 !#
assign (resid   69 and   name HA   )(resid   69 and   name HB#  ) 2.5 1.7 1.2 !#
assign (resid   69 and   name HA   )(resid   69 and   name HG   ) 4.0 2.2 1.0
assign (resid   69 and   name HA   )(resid   69 and   name HD#  ) 4.0 3.9 2.7 !#
assign (resid   69 and   name HB#  )(resid   69 and   name HG#  ) 4.0 3.2 2.0 !
assign (resid   69 and   name HB#  )(resid   69 and   name HD#  ) 4.0 4.9 3.7 ! !#
assign (resid   69 and  name HD#  )(resid   69 and  name HG   ) 2.5 2.4 1.9 !
assign (resid   69 and  name HD#  )(resid   69 and  name HB#  ) 2.5 3.4 2.9 ! !#
!residue 70 Thr
assign (resid   70 and  name HN   )(resid   70 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   70 and   name HN   )(resid   70 and   name HB   ) 3.0 1.2 0.8
assign (resid   70 and   name HN   )(resid   70 and   name HA   ) 3.0 1.2 0.3
assign (resid   70 and   name HN   )(resid   70 and   name HG2# ) 3.5 3.2 2.0 !#
!residue 71 Met
assign (resid   71 and   name HN   )(resid   71 and   name HA   ) 3.0 1.2 0.3
assign (resid   71 and   name HN   )(resid   71 and   name HB#  ) 2.5 1.3 0.8 !#
assign (resid   71 and   name HA   )(resid   71 and   name HB#  ) 3.0 2.2 1.3 !#
assign (resid   71 and   name HA   )(resid   71 and   name HG#  ) 4.0 2.8 1.6 !#
!residue 72 Met
assign (resid   72 and   name HN   )(resid   72 and   name HA   ) 3.0 1.2 0.3
assign (resid   72 and   name HN   )(resid   72 and   name HB#  ) 3.5 2.3 1.1 !#
assign (resid   72 and   name HN   )(resid   72 and   name HG#  ) 4.0 3.2 2.0 !#
assign (resid   72 and   name HA   )(resid   72 and   name HG#  ) 3.0 1.8 0.9 !#
!residue 73 Ala
assign (resid   73 and   name HN   )(resid   73 and   name HA   ) 3.0 1.2 0.3
assign (resid   73 and   name HN   )(resid   73 and   name HB#  ) 2.5 1.8 1.3 !#
assign (resid   73 and   name HA   )(resid   73 and   name HB#  ) 2.5 2.2 1.7 !#
!residue 74 Arg
assign (resid   74 and   name HN   )(resid   74 and   name HA   ) 3.0 1.2 0.3
assign (resid   74 and   name HN   )(resid   74 and   name HB#  ) 3.0 1.8 0.9 !#
assign (resid   74 and   name HN   )(resid   74 and   name HG#  ) 3.0 2.2 1.3 !#
assign (resid   74 and   name HA   )(resid   74 and   name HB#  ) 3.0 2.2 1.3 !#
assign (resid   74 and   name HA   )(resid   74 and   name HG#  ) 3.0 1.8 0.9 !#
assign (resid   74 and   name HA   )(resid   74 and   name HD#  ) 4.0 3.2 2.0 !#
assign (resid   74 and  name HB#  )(resid   74 and  name HG#  ) 2.5 2.7 2.2 ! !#
assign (resid   74 and  name HB#  )(resid   74 and  name HD#  ) 4.0 4.2 3.0 ! !#
!residue 75 Lys
assign (resid   75 and   name HN   )(resid   75 and   name HA   ) 4.0 2.2 1.2
assign (resid   75 and   name HN   )(resid   75 and   name HB#  ) 3.0 1.8 0.9 !#
assign (resid   75 and   name HA   )(resid   75 and   name HB#  ) 2.5 1.7 1.2 !#
assign (resid   75 and   name HA   )(resid   75 and   name HG#  ) 3.0 1.8 1.6 !#
!residue 76 Met
assign (resid   76 and   name HN   )(resid   76 and   name HA   ) 4.0 2.2 1.0
assign (resid   76 and   name HN   )(resid   76 and   name HB#  ) 3.0 1.8 0.9 !#
assign (resid   76 and   name HN   )(resid   76 and   name HG#  ) 3.5 2.7 1.5 !#
assign (resid   76 and   name HA   )(resid   76 and   name HB#  ) 2.5 1.7 1.2 !#
assign (resid   76 and   name HA   )(resid   76 and   name HG#  ) 4.0 2.8 1.6 !#
assign (resid   76 and   name HB#  )(resid   76 and   name HG#  ) 4.0 4.2 3.0 ! !#
!residue 77 Lys
assign (resid   77 and   name HN   )(resid   77 and   name HA   ) 4.0 2.2 1.0
assign (resid   77 and   name HN   )(resid   77 and   name HB#  ) 2.5 1.3 0.8 !#
!residue 78 Asp
assign (resid   78 and   name HN   )(resid   78 and   name HA   ) 4.0 2.2 1.0
assign (resid   78 and   name HN   )(resid   78 and   name HB#  ) 3.0 1.8 0.9 !#
assign (resid   78 and   name HA   )(resid   78 and   name HB#  ) 2.5 1.7 1.2 !#
!residue 79 Thr
assign (resid   79 and   name HN   )(resid   79 and   name HA   ) 4.0 2.2 1.0
assign (resid   79 and   name HN   )(resid   79 and   name HG2# ) 3.0 2.7 1.8 !#
assign (resid   79 and   name HN   )(resid   79 and   name HB   ) 4.0 2.2 1.0
assign (resid   79 and   name HA   )(resid   79 and   name HB   ) 2.5 0.7 0.2
assign (resid   79 and   name HA   )(resid   79 and   name HG2# ) 3.0 2.3 1.4 !#
!residue 80 Asp
assign (resid   80 and   name HN   )(resid   80 and   name HA   ) 4.0 2.2 1.0
assign (resid   80 and   name HN   )(resid   80 and   name HB#  ) 3.0 1.8 0.9 !#
assign (resid   80 and   name HA   )(resid   80 and   name HB#  ) 2.5 1.7 1.2 !#
!residue 81 Ser
assign (resid   81 and   name HN   )(resid   81 and   name HA   ) 4.0 2.2 1.0
assign (resid   81 and   name HN   )(resid   81 and   name HB#  ) 2.5 1.3 0.8 !#
assign (resid   81 and   name HA   )(resid   81 and   name HB#  ) 3.0 2.2 1.3 !#
!residue 82 Glu
assign (resid   82 and   name HN   )(resid   82 and   name HA   ) 3.0 1.2 0.3
assign (resid   82 and   name HN   )(resid   82 and   name HB#  ) 2.5 1.3 0.8 !#
assign (resid   82 and   name HA   )(resid   82 and   name HB#  ) 2.5 1.7 1.2 !#
assign (resid   82 and   name HA   )(resid   82 and   name HG#  ) 3.0 1.8 0.9 !#
!residue 83 Glu
assign (resid   83 and   name HN   )(resid   83 and   name HA   ) 3.0 1.2 0.3
assign (resid   83 and   name HN   )(resid   83 and   name HB#  ) 3.0 1.8 0.9 !#
assign (resid   83 and   name HN   )(resid   83 and   name HG#  ) 3.5 2.5 1.5 !#
assign (resid   83 and   name HA   )(resid   83 and   name HB#  ) 2.5 1.7 1.2 !#
assign (resid   83 and   name HA   )(resid   83 and   name HG#  ) 3.0 1.8 0.9 !#
!residue 84 Glu
assign (resid   84 and   name HN   )(resid   84 and   name HA   ) 3.0 1.2 0.3
assign (resid   84 and   name HN   )(resid   84 and   name HB#  ) 2.5 1.3 0.8 !#
assign (resid   84 and   name HN   )(resid   84 and   name HG#  ) 3.0 2.2 1.3 !#
assign (resid   84 and   name HA   )(resid   84 and   name HB#  ) 2.5 1.7 1.2 !#
!residue 85 Ile
assign (resid   85 and   name HN   )(resid   85 and   name HA   ) 3.0 1.2 0.3
assign (resid   85 and   name HN   )(resid   85 and   name HB   ) 2.5 0.7 0.2
assign (resid   85 and   name HN   )(resid   85 and   name HG1# ) 3.0 2.2 1.3 !#
assign (resid   85 and   name HN   )(resid   85 and   name HG2# ) 4.0 3.7 2.5 !#
assign (resid   85 and   name HN   )(resid   85 and   name HD#  ) 4.0 3.7 2.5 !#
assign (resid   85 and   name HA   )(resid   85 and   name HB   ) 4.0 2.2 1.0
assign (resid   85 and   name HA   )(resid   85 and   name HG2# ) 2.5 1.8 1.3 !#
assign (resid   85 and   name HG2# )(resid   85 and   name HD#  ) 3.0 4.2 3.3 ! !#
assign (resid   85 and   name HG2# )(resid   85 and   name HG1# ) 3.0 3.7 2.8 ! !#
assign (resid   85 and   name HG2# )(resid   85 and   name HB   ) 2.5 2.2 1.7 !
assign (resid   85 and   name HD#  )(resid   85 and   name HB   ) 3.5 3.2 2.0 !
assign (resid   85 and   name HD#  )(resid   85 and   name HG1# ) 3.0 3.7 2.8 ! !#
!residue 86 Arg
assign (resid   86 and   name HN   )(resid   86 and   name HB#  ) 2.5 1.3 0.8 !#
assign (resid   86 and   name HN   )(resid   86 and   name HG#  ) 3.0 2.2 1.3 !#
assign (resid   86 and   name HA   )(resid   86 and   name HB#  ) 2.5 1.7 1.2 !#
assign (resid   86 and   name HA   )(resid   86 and   name HG#  ) 3.0 1.8 0.9 !#
!residue 87 Glu
assign (resid   87 and   name HN   )(resid   87 and   name HA   ) 2.5 0.7 0.2
assign (resid   87 and   name HN   )(resid   87 and   name HB#  ) 3.0 1.8 0.9 !#
assign (resid   87 and   name HN   )(resid   87 and   name HG#  ) 3.0 2.2 1.3 !#
assign (resid   87 and   name HA   )(resid   87 and   name HB#  ) 3.0 2.2 1.3 !#
assign (resid   87 and   name HA   )(resid   87 and   name HG#  ) 3.0 1.8 0.9 !#
!residue 88 Ala
assign (resid   88 and   name HN   )(resid   88 and   name HA   ) 3.0 1.2 0.3
assign (resid   88 and   name HN   )(resid   88 and   name HB#  ) 2.5 1.8 1.3 !#
assign (resid   88 and   name HA   )(resid   88 and   name HB#  ) 2.5 2.2 1.7 !#
!residue 89 Phe
assign (resid   89 and   name HN   )(resid   89 and   name HB#  ) 2.5 1.3 0.8 !#
assign (resid   89 and   name HN   )(resid   89 and   name HD#  ) 4.0 4.2 3.0 !#
assign (resid   89 and   name HN   )(resid   89 and   name HE#  ) 4.0 4.2 3.0 !#
assign (resid   89 and   name HN   )(resid   89 and   name HA   ) 4.0 2.2 1.0
assign (resid   89 and   name HA   )(resid   89 and   name HD#  ) 3.0 3.2 2.3 !#
assign (resid   89 and   name HA   )(resid   89 and   name HB#  ) 2.5 1.7 1.2 !#
!residue 90 Arg
assign (resid   90 and   name HN   )(resid   90 and   name HA   ) 2.5 0.7 0.2
assign (resid   90 and   name HN   )(resid   90 and   name HB#  ) 2.5 1.3 0.8 !#
assign (resid   90 and   name HN   )(resid   90 and   name HG#  ) 4.0 3.2 2.0 !#
assign (resid   90 and   name HA   )(resid   90 and   name HB#  ) 3.0 2.2 1.3 !#
assign (resid   90 and   name HA   )(resid   90 and   name HG#  ) 4.0 2.8 1.6 !#
assign (resid   90 and   name HA   )(resid   90 and   name HD#  ) 4.0 3.2 2.0 !#
assign (resid   90 and   name HD#  )(resid   90 and  name HG#  ) 3.0 3.2 2.3 ! !#
!residue 91 Val
assign (resid   91 and   name HN   )(resid   91 and   name HA   ) 3.0 1.2 0.3
assign (resid   91 and   name HN   )(resid   91 and   name HB   ) 3.0 1.2 0.8
assign (resid   91 and   name HN   )(resid   91 and   name HG*  ) 2.5 2.4 1.9 !#
assign (resid   91 and   name HA   )(resid   91 and   name HB   ) 4.0 2.2 1.0
assign (resid   91 and   name HA   )(resid   91 and   name HG*  ) 2.5 1.3 0.8 !#
assign (resid   91 and   name HG*  )(resid   91 and   name HB   ) 2.5 2.4 1.9 !
!residue 92 Phe
assign (resid   92 and   name HN   )(resid   92 and   name HA   ) 3.0 1.2 0.3
assign (resid   92 and   name HN   )(resid   92 and   name HB#  ) 4.0 2.8 1.6 !#
assign (resid   92 and   name HA   )(resid   92 and   name HB#  ) 2.5 2.7 2.2 !#
assign (resid   92 and   name HA   )(resid   92 and   name HD#  ) 3.0 3.2 2.3 !#
! D93
assign (resid   93 and  name HN   )(resid   93 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   93 and  name HN   )(resid   93 and  name HA   ) 3.0 1.2 0.3
assign (resid   93 and  name HN   )(resid   93 and  name HA   ) 3.0 1.2 0.3
assign (resid   93 and  name HA   )(resid   93 and  name HB#  ) 2.5 1.7 1.2 !#
! K94
assign (resid   94 and  name HN   )(resid   94 and  name HA   ) 2.5 0.7 0.2
assign (resid   94 and  name HN   )(resid   94 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   94 and  name HN   )(resid   94 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   94 and  name HN   )(resid   94 and  name HD#  ) 4.0 3.2 2.0 !#
assign (resid   94 and  name HA   )(resid   94 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   94 and  name HA   )(resid   94 and  name HG#  ) 4.0 2.8 1.6 !#
assign (resid   94 and  name HA   )(resid   94 and  name HD#  ) 3.0 2.2 1.3 !#
! D95
assign (resid   95 and  name HN   )(resid   95 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   95 and  name HA   )(resid   95 and  name HB#  ) 2.5 1.7 1.2 !#
! G96
assign (resid   96 and  name HN   )(resid   96 and  name HA#  ) 2.5 1.3 0.8 !#
! N97
assign (resid   97 and  name HN   )(resid   97 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid   97 and  name HA   )(resid   97 and  name HB#  ) 4.0 3.2 2.0 !#
! G98
assign (resid   98 and  name HN   )(resid   98 and  name HA#  ) 4.0 2.8 1.6 !#
! F99
assign (resid   99 and  name HN   )(resid   99 and  name HD#  ) 4.0 4.2 3.0 !#
assign (resid   99 and  name HN   )(resid   99 and  name HB#  ) 4.0 2.8 1.6 !#
assign (resid   99 and  name HN   )(resid   99 and  name HA   ) 4.0 2.2 1.0
assign (resid   99 and  name HA   )(resid   99 and  name HB#  ) 3.0 2.2 1.3 !#
! I100
assign (resid  100 and  name HN   )(resid  100 and  name HG1# ) 4.0 3.2 2.0 !#
assign (resid  100 and  name HN   )(resid  100 and  name HD#  ) 4.0 3.7 2.5 !#
assign (resid  100 and  name HN   )(resid  100 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  100 and  name HN   )(resid  100 and  name HB   ) 3.0 1.2 0.3
assign (resid  100 and  name HA   )(resid  100 and  name HG1# ) 4.0 2.8 1.6 !#
assign (resid  100 and  name HA   )(resid  100 and  name HB   ) 4.0 2.2 1.0
assign (resid  100 and  name HA   )(resid  100 and  name HG2# ) 2.5 1.8 1.3 !#
assign (resid  100 and  name HA   )(resid  100 and  name HD#  ) 4.0 3.7 2.5 !#
assign (resid  100 and  name HB   )(resid  100 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid  100 and  name HD#  )(resid  100 and  name HB   ) 2.5 2.2 1.7 !
assign (resid  100 and  name HD#  )(resid  100 and  name HG1# ) 2.5 3.2 2.7 ! !#
assign (resid  100 and  name HD#  )(resid  100 and  name HG2# ) 2.5 3.7 3.2 ! !#
assign (resid  100 and  name HG2# )(resid  100 and  name HB   ) 2.5 2.2 1.7 !
assign (resid  100 and  name HG2# )(resid  100 and  name HG1# ) 3.0 3.7 2.8 ! !#
! S101
assign (resid  101 and  name HN   )(resid  101 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  101 and  name HA   )(resid  101 and  name HB#  ) 2.5 1.7 1.2 !#
! A102
assign (resid  102 and  name HN   )(resid  102 and  name HA   ) 2.5 0.7 0.2
assign (resid  102 and  name HN   )(resid  102 and  name HB#  ) 2.5 1.8 1.3 !#
assign (resid  102 and  name HA   )(resid  102 and  name HB#  ) 2.5 2.2 1.7 !#
! A103
assign (resid  103 and  name HN   )(resid  103 and  name HA   ) 2.5 0.7 0.2
assign (resid  103 and  name HA   )(resid  103 and  name HB#  ) 2.5 2.2 1.7 !#
! E104
assign (resid  104 and  name HN   )(resid  104 and  name HA   ) 2.5 0.7 0.2
assign (resid  104 and  name HN   )(resid  104 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  104 and  name HA   )(resid  104 and  name HB#  ) 2.5 1.7 1.2 !#
! L105
assign (resid  105 and  name HN   )(resid  105 and  name HG   ) 4.0 2.2 1.0
assign (resid  105 and  name HN   )(resid  105 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  105 and  name HN   )(resid  105 and  name HD#  ) 4.0 3.9 2.7 !#
assign (resid  105 and  name HN   )(resid  105 and  name HA   ) 4.0 2.2 1.0
assign (resid  105 and  name HA   )(resid  105 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid  105 and  name HA   )(resid  105 and  name HG#  ) 3.0 1.2 0.3
assign (resid  105 and  name HD#  )(resid  105 and  name HG#  ) 3.0 2.9 2.0 !
! R106
assign (resid  106 and  name HN   )(resid  106 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid  106 and  name HN   )(resid  106 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  106 and  name HN   )(resid  106 and  name HA   ) 3.0 1.2 0.3
assign (resid  106 and  name HA   )(resid  106 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid  106 and  name HA   )(resid  106 and  name HG#  ) 2.5 1.3 0.8 !#
assign (resid  106 and  name HA   )(resid  106 and  name HD#  ) 4.0 3.2 2.0 !#
! H107
assign (resid  107 and  name HN   )(resid  107 and  name HA   ) 3.0 1.2 0.3
assign (resid  107 and  name HN   )(resid  107 and  name HB#  ) 3.0 1.8 0.9 !#
assign (resid  107 and  name HA   )(resid  107 and  name HB#  ) 2.5 1.7 1.2 !#
! V108
assign (resid  108 and  name HN   )(resid  108 and  name HG*  ) 2.5 2.4 1.9 !#
assign (resid  108 and  name HN   )(resid  108 and  name HA   ) 3.0 1.2 0.3
assign (resid  108 and  name HN   )(resid  108 and  name HB   ) 3.0 1.2 0.3
assign (resid  108 and  name HA   )(resid  108 and  name HB   ) 2.5 0.7 0.2
assign (resid  108 and  name HA   )(resid  108 and  name HG*  ) 2.5 1.3 0.8 !#
assign (resid  108 and  name HG*  )(resid  108 and  name HB   ) 2.5 2.4 1.9 !
! M109
assign (resid  109 and  name HN   )(resid  109 and  name HA   ) 4.0 2.2 1.0
assign (resid  109 and  name HN   )(resid  109 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid  109 and  name HN   )(resid  109 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  109 and  name HA   )(resid  109 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid  109 and  name HA   )(resid  109 and  name HG#  ) 3.0 1.8 0.9 !#
assign (resid  109 and  name HE#  )(resid  109 and  name HG#  ) 3.0 3.7 2.8 ! !#
! T110
assign (resid  110 and  name HN   )(resid  110 and  name HA   ) 4.0 2.2 1.0
assign (resid  110 and  name HN   )(resid  110 and  name HB   ) 4.0 2.2 1.0
assign (resid  110 and  name HN   )(resid  110 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  110 and  name HA   )(resid  110 and  name HB   ) 2.5 0.7 0.2
assign (resid  110 and  name HA   )(resid  110 and  name HG2# ) 2.5 1.8 1.3 !#
! N111
assign (resid  111 and  name HN   )(resid  111 and  name HA   ) 3.0 1.2 0.3
assign (resid  111 and  name HN   )(resid  111 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  111 and  name HA   )(resid  111 and  name HB#  ) 2.5 1.7 1.2 !#
! L112
assign (resid  112 and  name HN   )(resid  112 and  name HB#  ) 4.0 2.8 1.6 !#
assign (resid  112 and  name HN   )(resid  112 and  name HD#  ) 4.0 3.9 2.7 !#
assign (resid  112 and  name HN   )(resid  112 and  name HA   ) 4.0 2.2 1.0
assign (resid  112 and  name HN   )(resid  112 and  name HG   ) 4.0 2.2 1.0
assign (resid  112 and  name HA   )(resid  112 and  name HD#  ) 2.5 2.4 1.9 !#
assign (resid  112 and  name HA   )(resid  112 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid  112 and  name HA   )(resid  112 and  name HG#  ) 3.0 1.2 0.3
assign (resid  112 and  name HD#  )(resid  112 and  name HB#  ) 2.5 3.4 2.9 ! !#
! G113
assign (resid  113 and  name HN   )(resid  113 and  name HA#  ) 3.0 1.8 0.9 !#
! E114
assign (resid  114 and  name HN   )(resid  114 and  name HA   ) 3.0 1.2 0.3
assign (resid  114 and  name HN   )(resid  114 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  114 and  name HN   )(resid  114 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid  114 and  name HA   )(resid  114 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid  114 and  name HA   )(resid  114 and  name HG#  ) 2.5 1.3 0.8 !#
! K115
assign (resid  115 and  name HN   )(resid  115 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid  115 and  name HN   )(resid  115 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  115 and  name HN   )(resid  115 and  name HA   ) 4.0 2.2 1.0
assign (resid  115 and  name HA   )(resid  115 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid  115 and  name HA   )(resid  115 and  name HG#  ) 2.5 1.3 0.8 !#
! L116
assign (resid  116 and  name HN   )(resid  116 and  name HD#  ) 2.5 2.4 1.9 !#
assign (resid  116 and  name HN   )(resid  116 and  name HA   ) 2.5 0.7 0.2
assign (resid  116 and  name HN   )(resid  116 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  116 and  name HA   )(resid  116 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid  116 and  name HA   )(resid  116 and  name HD#  ) 2.5 2.4 1.9 !#
assign (resid  116 and  name HD#  )(resid  116 and  name HB#  ) 2.5 3.4 2.9 ! !#
assign (resid  116 and  name HD#  )(resid  116 and  name HG#  ) 2.5 2.4 1.9 !
! T117
assign (resid  117 and  name HN   )(resid  117 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid  117 and  name HN   )(resid  117 and  name HB   ) 4.0 2.2 1.0
assign (resid  117 and  name HN   )(resid  117 and  name HA   ) 3.0 1.2 0.3
assign (resid  117 and  name HA   )(resid  117 and  name HB   ) 2.5 0.7 0.2
assign (resid  117 and  name HA   )(resid  117 and  name HG2# ) 2.5 1.8 1.3 !#
assign (resid  117 and  name HG2# )(resid  117 and  name HB   ) 2.5 2.2 1.7 !
! D118
assign (resid  118 and  name HN   )(resid  118 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  118 and  name HN   )(resid  118 and  name HA   ) 4.0 2.2 1.0
assign (resid  118 and  name HA   )(resid  118 and  name HB#  ) 2.5 1.7 1.2 !#
! E119
assign (resid  119 and  name HN   )(resid  119 and  name HA   ) 2.5 0.7 0.2
assign (resid  119 and  name HN   )(resid  119 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  119 and  name HN   )(resid  119 and  name HG#  ) 3.0 2.2 1.3 !#
! E120
assign (resid  120 and  name HN   )(resid  120 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  120 and  name HN   )(resid  120 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid  120 and  name HA   )(resid  120 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid  120 and  name HA   )(resid  120 and  name HG#  ) 2.5 1.3 0.8 !#
! V121
assign (resid  121 and  name HN   )(resid  121 and  name HA   ) 2.5 0.7 0.2
assign (resid  121 and  name HN   )(resid  121 and  name HB   ) 2.5 0.7 0.2
assign (resid  121 and  name HN   )(resid  121 and  name HG*  ) 2.5 2.4 1.9 !#
assign (resid  121 and  name HA   )(resid  121 and  name HB#  ) 3.0 1.2 0.3
assign (resid  121 and  name HA   )(resid  121 and  name HG*  ) 2.5 1.3 0.8 !#
! D122
assign (resid  122 and  name HN   )(resid  122 and  name HA   ) 2.5 0.7 0.2
assign (resid  122 and  name HA   )(resid  122 and  name HB#  ) 2.5 1.7 1.2 !#
! E123
assign (resid  123 and  name HN   )(resid  123 and  name HA   ) 2.5 0.7 0.2
assign (resid  123 and  name HN   )(resid  123 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  123 and  name HN   )(resid  123 and  name HG#  ) 3.0 2.2 1.3 !#
assign (resid  123 and  name HA   )(resid  123 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid  123 and  name HA   )(resid  123 and  name HG#  ) 2.5 1.3 0.8 !#
! M124
assign (resid  124 and  name HN   )(resid  124 and  name HG#  ) 3.0 2.2 1.3 !#
assign (resid  124 and  name HN   )(resid  124 and  name HB#  ) 3.0 1.8 0.9 !#
assign (resid  124 and  name HA   )(resid  124 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid  124 and  name HA   )(resid  124 and  name HG#  ) 3.0 1.8 0.9 !#
assign (resid  124 and  name HA   )(resid  124 and  name HE#  ) 3.0 2.7 1.8 !#
assign (resid  124 and  name HE#  )(resid  124 and  name HG#  ) 3.0 3.7 2.8 ! !#
! I125
assign (resid  125 and  name HN   )(resid  125 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  125 and  name HN   )(resid  125 and  name HB   ) 2.5 0.7 0.2
assign (resid  125 and  name HA   )(resid  125 and  name HB   ) 4.0 2.2 1.0
assign (resid  125 and  name HA   )(resid  125 and  name HG2# ) 4.0 3.3 2.1 !#
assign (resid  125 and  name HA   )(resid  125 and  name HD#  ) 2.5 2.2 1.7 !#
assign (resid  125 and  name HD#  )(resid  125 and  name HG2# ) 3.0 4.2 3.3 ! !#
assign (resid  125 and  name HD#  )(resid  125 and  name HG1# ) 2.5 3.2 2.7 ! !#
assign (resid  125 and  name HG2# )(resid  125 and  name HG1# ) 3.0 3.7 2.8 ! !#
! R126
assign (resid  126 and  name HN   )(resid  126 and  name HA   ) 2.5 0.7 0.2
assign (resid  126 and  name HN   )(resid  126 and  name HB#  ) 4.0 2.8 1.6 !#
assign (resid  126 and  name HN   )(resid  126 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid  126 and  name HA   )(resid  126 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid  126 and  name HA   )(resid  126 and  name HG#  ) 2.5 1.3 0.8 !#
assign (resid  126 and  name HA   )(resid  126 and  name HD#  ) 3.0 2.2 1.3 !#
! E127
assign (resid  127 and  name HN   )(resid  127 and  name HA   ) 2.5 0.7 0.2
assign (resid  127 and  name HN   )(resid  127 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  127 and  name HN   )(resid  127 and  name HG#  ) 3.0 2.2 1.3 !#
assign (resid  127 and  name HA   )(resid  127 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid  127 and  name HA   )(resid  127 and  name HG#  ) 3.0 1.8 0.9 !#
! A128
assign (resid  128 and  name HN   )(resid  128 and  name HA   ) 4.0 2.2 1.0
assign (resid  128 and  name HN   )(resid  128 and  name HB#  ) 2.5 1.8 1.3 !#
assign (resid  128 and  name HA   )(resid  128 and  name HB#  ) 2.5 2.2 1.7 !#
! N129
assign (resid  129 and  name HN   )(resid  129 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  129 and  name HN   )(resid  129 and  name HA   ) 3.0 1.2 0.3
assign (resid  129 and  name HA   )(resid  129 and  name HB#  ) 2.5 1.7 1.2 !#
! I130
assign (resid  130 and  name HN   )(resid  130 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  130 and  name HN   )(resid  130 and  name HG1# ) 4.0 3.2 2.0 !#
assign (resid  130 and  name HN   )(resid  130 and  name HA   ) 4.0 2.2 1.0
assign (resid  130 and  name HN   )(resid  130 and  name HB   ) 2.5 0.7 0.2
assign (resid  130 and  name HA   )(resid  130 and  name HB   ) 4.0 2.2 1.0
assign (resid  130 and  name HA   )(resid  130 and  name HG1# ) 2.5 1.3 0.8 !#
assign (resid  130 and  name HA   )(resid  130 and  name HG2# ) 2.5 1.8 1.3 !#
assign (resid  130 and  name HA   )(resid  130 and  name HD#  ) 3.0 2.7 1.8 !#
assign (resid  130 and  name HD#  )(resid  130 and  name HB   ) 3.0 2.7 1.8 !
! D131
assign (resid  131 and  name HN   )(resid  131 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  131 and  name HN   )(resid  131 and  name HA   ) 3.0 1.2 0.3
assign (resid  131 and  name HA   )(resid  131 and  name HB#  ) 2.5 1.7 1.2 !#
! G132
assign (resid  132 and  name HN   )(resid  132 and  name HA#  ) 3.0 1.8 0.9 !#
! D133
assign (resid  133 and  name HN   )(resid  133 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  133 and  name HN   )(resid  133 and  name HA   ) 4.0 2.2 1.0
assign (resid  133 and  name HA   )(resid  133 and  name HB#  ) 2.5 1.7 1.2 !#
! G134
assign (resid  134 and  name HN   )(resid  134 and  name HA#  ) 2.5 1.3 0.8 !#
! Q135
assign (resid  135 and  name HN   )(resid  135 and  name HB#  ) 3.0 1.8 0.9 !#
assign (resid  135 and  name HN   )(resid  135 and  name HA   ) 3.0 1.2 0.3
assign (resid  135 and  name HN   )(resid  135 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid  135 and  name HA   )(resid  135 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid  135 and  name HA   )(resid  135 and  name HG#  ) 4.0 2.8 1.6 !#
! V136
assign (resid  136 and  name HN   )(resid  136 and  name HG*  ) 4.0 3.9 2.7 !#
assign (resid  136 and  name HN   )(resid  136 and  name HA   ) 3.0 1.2 0.3
assign (resid  136 and  name HN   )(resid  136 and  name HB   ) 3.0 1.2 0.3
assign (resid  136 and  name HA   )(resid  136 and  name HG*  ) 2.5 1.3 0.8 !#
assign (resid  136 and  name HA   )(resid  136 and  name HB   ) 4.0 2.2 1.0
! N137
assign (resid  137 and  name HN   )(resid  137 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  137 and  name HA   )(resid  137 and  name HB#  ) 2.5 1.7 1.2 !#
! Y138
assign (resid  138 and  name HN   )(resid  138 and  name HD#  ) 4.0 4.2 3.0 !#
assign (resid  138 and  name HN   )(resid  138 and  name HA   ) 3.0 1.2 0.3
assign (resid  138 and  name HN   )(resid  138 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  138 and  name HA   )(resid  138 and  name HB#  ) 2.5 1.7 1.2 !#
! E139
assign (resid  139 and  name HN   )(resid  139 and  name HA   ) 2.5 0.7 0.2
assign (resid  139 and  name HN   )(resid  139 and  name HB#  ) 3.0 1.8 0.9 !#
assign (resid  139 and  name HN   )(resid  139 and  name HG#  ) 3.0 2.2 1.3 !#
assign (resid  139 and  name HA   )(resid  139 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid  139 and  name HA   )(resid  139 and  name HG#  ) 3.0 1.8 0.9 !#
! E140
assign (resid  140 and  name HN   )(resid  140 and  name HA   ) 4.0 2.2 1.0
assign (resid  140 and  name HN   )(resid  140 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  140 and  name HN   )(resid  140 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid  140 and  name HA   )(resid  140 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid  140 and  name HA   )(resid  140 and  name HG#  ) 3.0 1.8 0.9 !#
! F141
assign (resid  141 and  name HN   )(resid  141 and  name HD#  ) 4.0 4.2 3.0 !#
assign (resid  141 and  name HN   )(resid  141 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  141 and  name HN   )(resid  141 and  name HA   ) 3.0 1.2 0.3
assign (resid  141 and  name HA   )(resid  141 and  name HB#  ) 2.5 1.7 1.2 !#
! V142
assign (resid  142 and  name HN   )(resid  142 and  name HG*  ) 2.5 2.4 1.9 !#
assign (resid  142 and  name HA   )(resid  142 and  name HB   ) 4.0 2.2 1.0
assign (resid  142 and  name HA   )(resid  142 and  name HG*  ) 2.5 1.3 0.8 !#
! T143
assign (resid  143 and  name HN   )(resid  143 and  name HB   ) 2.5 0.7 0.2
assign (resid  143 and  name HN   )(resid  143 and  name HA   ) 3.0 1.2 0.3
assign (resid  143 and  name HA   )(resid  143 and  name HB   ) 4.0 2.2 1.0
assign (resid  143 and  name HA   )(resid  143 and  name HG2# ) 2.5 1.8 1.3 !#
! M144
assign (resid  144 and  name HN   )(resid  144 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  144 and  name HN   )(resid  144 and  name HG#  ) 3.0 2.2 1.8 !#
assign (resid  144 and  name HN   )(resid  144 and  name HA   ) 2.5 0.7 0.2
assign (resid  144 and  name HG#  )(resid  144 and  name HB#  ) 2.5 2.7 2.2 ! !#
! M145
assign (resid  145 and  name HN   )(resid  145 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  145 and  name HN   )(resid  145 and  name HA   ) 3.0 1.2 0.3
assign (resid  145 and  name HA   )(resid  145 and  name HG#  ) 4.0 2.8 1.6 !#
assign (resid  145 and  name HA   )(resid  145 and  name HB#  ) 2.5 1.7 1.2 !#
! T146
assign (resid  146 and  name HN   )(resid  146 and  name HB   ) 4.0 2.2 1.0
assign (resid  146 and  name HN   )(resid  146 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  146 and  name HN   )(resid  146 and  name HA   ) 4.0 2.2 1.0
assign (resid  146 and  name HA   )(resid  146 and  name HB   ) 2.5 0.7 0.2
assign (resid  146 and  name HA   )(resid  146 and  name HG2# ) 2.5 1.8 1.3 !#
! S147
assign (resid  147 and  name HN   )(resid  147 and  name HA   ) 4.0 2.2 1.0
assign (resid  147 and  name HN   )(resid  147 and  name HB#  ) 3.0 1.8 0.9 !#
assign (resid  147 and  name HA   )(resid  147 and  name HB#  ) 2.5 1.7 1.2 !#
! K148
assign (resid  148 and  name HN   )(resid  148 and  name HA   ) 3.0 1.2 0.3
assign (resid  148 and  name HN   )(resid  148 and  name HB#  ) 3.0 1.8 0.9 !#
assign (resid  148 and  name HN   )(resid  148 and  name HG#  ) 2.5 1.7 1.2 !#
assign (resid  148 and  name HA   )(resid  148 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid  148 and  name HA   )(resid  148 and  name HG#  ) 4.0 2.8 1.6 !#
assign (resid  148 and  name HA   )(resid  148 and  name HD#  ) 4.0 3.2 2.0 !#


!!calmodulin sequential NOEs |i-j|=1
! A1
! D2
! Q3
assign (resid    3 and  name HN   )(resid    2 and  name HA   ) 3.0 1.2 0.3
! L4
assign (resid    4 and  name HN   )(resid    3 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid    4 and  name HN   )(resid    3 and  name HA   ) 3.0 1.2 0.3
! T5
assign (resid    5 and  name HN   )(resid    4 and  name HA   ) 4.0 2.2 1.0
assign (resid    5 and  name HN   )(resid    4 and  name HB#  ) 4.0 3.2 2.0 !#
! E6
assign (resid    6 and  name HN   )(resid    5 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid    6 and  name HN   )(resid    5 and  name HA   ) 4.0 2.2 1.0
assign (resid    6 and  name HN   )(resid    5 and  name HB   ) 3.0 1.2 0.3
! E7
assign (resid    7 and  name HN   )(resid    6 and  name HN   ) 3.0 1.2 0.3
assign (resid    7 and  name HN   )(resid    6 and  name HA   ) 4.0 2.2 1.0
assign (resid    7 and  name HN   )(resid    6 and  name HB#  ) 3.0 2.2 1.3 !#
! Q8
assign (resid    8 and  name HN   )(resid    7 and  name HN   ) 2.5 0.7 0.2
assign (resid    8 and  name HN   )(resid    7 and  name HA   ) 4.0 2.2 1.0
assign (resid    8 and  name HN   )(resid    7 and  name HB#  ) 3.0 2.2 1.3 !#
! I9
assign (resid    9 and  name HN   )(resid    8 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid    9 and  name HN   )(resid    8 and  name HN   ) 3.0 1.2 0.3
assign (resid    9 and  name HN   )(resid    8 and  name HA   ) 4.0 2.2 1.0
! A10
assign (resid   10 and  name HN   )(resid    9 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   10 and  name HN   )(resid    9 and  name HN   ) 3.0 1.2 0.3
assign (resid   10 and  name HN   )(resid    9 and  name HB   ) 4.0 2.2 1.0
assign (resid   10 and  name HN   )(resid    9 and  name HA   ) 4.0 2.2 1.0
assign (resid   10 and  name HN   )(resid    9 and  name HD#  ) 4.0 3.7 2.5 !#
! E11
assign (resid   11 and  name HN   )(resid   10 and  name HN   ) 3.0 1.2 0.3
assign (resid   11 and  name HN   )(resid   10 and  name HB#  ) 3.0 2.7 1.8 !#
! F12
assign (resid   12 and  name HN   )(resid   11 and  name HA   ) 4.0 2.2 1.0
assign (resid   12 and  name HN   )(resid   11 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   12 and  name HN   )(resid   11 and  name HN   ) 3.0 1.2 0.3
! K13
assign (resid   13 and  name HN   )(resid   12 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   13 and  name HN   )(resid   12 and  name HN   ) 2.5 0.7 0.2
assign (resid   13 and  name HN   )(resid   12 and  name HB#  ) 4.0 3.2 2.0 !#
!E14
assign (resid   14 and  name HN   )(resid   13 and  name HA   ) 4.0 2.2 1.0
assign (resid   14 and  name HN   )(resid   13 and  name HN   ) 4.0 2.2 1.0
assign (resid   14 and  name HN   )(resid   13 and  name HB#  ) 4.0 3.2 2.0 !#
! A15
assign (resid   15 and  name HN   )(resid   14 and  name HN   ) 3.0 1.2 0.3
assign (resid   15 and  name HN   )(resid   14 and  name HB#  ) 3.0 2.2 1.3 !#
! F16
! S17
assign (resid   17 and  name HN   )(resid   16 and  name HA   ) 4.0 2.2 1.0
assign (resid   17 and  name HN   )(resid   16 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   17 and  name HN   )(resid   16 and  name HD#  ) 4.0 4.2 3.0 !#
assign (resid   17 and  name HN   )(resid   16 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HN   )(resid   16 and  name HA   ) 4.0 2.2 1.0
! L18
assign (resid   18 and  name HN   )(resid   17 and  name HA   ) 4.0 2.2 1.0
assign (resid   18 and  name HN   )(resid   17 and  name HA   ) 4.0 2.2 1.0
assign (resid   18 and  name HN   )(resid   17 and  name HN   ) 3.0 1.2 0.3
assign (resid   18 and  name HD#  )(resid   19 and  name HD#  ) 4.0 6.6 5.4 ! !#
! F19
assign (resid   19 and  name HN   )(resid   18 and  name HA   ) 4.0 2.2 1.0
assign (resid   19 and  name HN   )(resid   18 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   19 and  name HN   )(resid   18 and  name HN   ) 4.0 2.2 1.0
assign (resid   19 and  name HA   )(resid   18 and  name HD#  ) 3.0 3.6 2.7 !#
! D20
assign (resid   20 and  name HN   )(resid   19 and  name HN   ) 4.0 2.2 1.0
assign (resid   20 and  name HN   )(resid   19 and  name HB#  ) 4.0 3.2 2.0 !#
! K21
assign (resid   21 and  name HN   )(resid   20 and  name HA   ) 2.5 0.7 0.2
assign (resid   21 and  name HN   )(resid   20 and  name HB#  ) 4.0 3.2 2.0 !#
! D22
assign (resid   22 and  name HN   )(resid   21 and  name HA   ) 3.0 1.2 0.3
assign (resid   22 and  name HN   )(resid   21 and  name HN   ) 3.0 1.2 0.3
assign (resid   22 and  name HN   )(resid   21 and  name HB#  ) 4.0 3.2 2.0 !#
! G23
assign (resid   23 and  name HN   )(resid   22 and  name HN   ) 3.0 1.2 0.3
assign (resid   23 and  name HN   )(resid   22 and  name HA   ) 4.0 2.2 1.0
assign (resid   23 and  name HN   )(resid   22 and  name HN   ) 3.0 1.2 0.3
! D24
assign (resid   24 and  name HN   )(resid   23 and  name HA#  ) 4.0 3.2 2.0 !#
assign (resid   24 and  name HN   )(resid   23 and  name HN   ) 3.0 1.2 0.3
! G25
assign (resid   25 and  name HN   )(resid   24 and  name HN   ) 3.0 1.2 0.3
! T26
assign (resid   26 and  name HN   )(resid   25 and  name HN   ) 4.0 2.2 1.0
! I27
assign (resid   27 and  name HN   )(resid   26 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   27 and  name HN   )(resid   26 and  name HA   ) 2.5 0.7 0.2
! T28
assign (resid   28 and  name HN   )(resid   27 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   28 and  name HN   )(resid   27 and  name HA   ) 3.0 1.2 0.3
! T29
assign (resid   29 and  name HN   )(resid   28 and  name HA   ) 2.5 0.7 0.2
! K30
assign (resid   30 and  name HN   )(resid   29 and  name HA   ) 4.0 2.2 1.0
assign (resid   30 and  name HN   )(resid   29 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   30 and  name HN   )(resid   29 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   30 and  name HN   )(resid   29 and  name HN   ) 3.0 1.2 0.3
! E31
assign (resid   31 and  name HN   )(resid   30 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   31 and  name HA   )(resid   30 and  name HG#  ) 4.0 3.2 3.0 !#
assign (resid   31 and  name HA   )(resid   30 and  name HD#  ) 4.0 3.2 2.0 !#
! L32
assign (resid   32 and  name HN   )(resid   31 and  name HA   ) 3.0 1.2 0.3
assign (resid   32 and  name HN   )(resid   31 and  name HN   ) 3.0 1.2 0.3
assign (resid   32 and  name HN   )(resid   31 and  name HB#  ) 4.0 3.2 2.0 !#
! G33
assign (resid   33 and  name HN   )(resid   32 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   33 and  name HN   )(resid   32 and  name HD#  ) 4.0 4.6 3.4 !#
assign (resid   33 and  name HN   )(resid   32 and  name HN   ) 4.0 2.2 1.0
assign (resid   33 and  name HA#  )(resid   32 and  name HD#  ) 2.5 4.1 3.6 ! !#
! T34
assign (resid   34 and  name HN   )(resid   33 and  name HA#  ) 4.0 3.2 2.0 !#
assign (resid   34 and  name HN   )(resid   33 and  name HN   ) 3.0 1.2 0.3
assign (resid   34 and  name HG2# )(resid   35 and  name HG*  ) 3.0 5.1 4.2 ! !#

! V35
assign (resid   35 and  name HN   )(resid   34 and  name HA   ) 4.0 2.2 1.0
assign (resid   35 and  name HN   )(resid   34 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   35 and  name HN   )(resid   34 and  name HB   ) 4.0 2.2 1.0
assign (resid   35 and  name HN   )(resid   34 and  name HN   ) 3.0 1.2 0.3
assign (resid   35 and  name HA   )(resid   34 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   35 and  name HG*  )(resid   36 and  name HG#  ) 4.0 5.6 4.4 ! !#
! M36
assign (resid   36 and  name HN   )(resid   35 and  name HG*  ) 4.0 4.6 3.4 !#
assign (resid   36 and  name HN   )(resid   35 and  name HN   ) 3.0 1.2 0.3
assign (resid   36 and  name HN   )(resid   35 and  name HA   ) 4.0 2.2 1.0
assign (resid   36 and  name HN   )(resid   35 and  name HB   ) 4.0 2.2 1.0
! R37
assign (resid   37 and  name HN   )(resid   36 and  name HA   ) 4.0 2.2 1.0
assign (resid   37 and  name HN   )(resid   36 and  name HN   ) 4.0 2.2 1.0
assign (resid   37 and  name HN   )(resid   36 and  name HB#  ) 3.0 2.2 1.3 !#
! S38
assign (resid   38 and  name HN   )(resid   37 and  name HN   ) 4.0 2.2 1.0
assign (resid   38 and  name HN   )(resid   37 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   38 and  name HA   )(resid   39 and  name HD#  ) 4.0 4.6 3.4 !#
assign (resid   38 and  name HA   )(resid   39 and  name HB#  ) 4.0 3.2 2.0 !#
! L39
assign (resid   39 and  name HN   )(resid   38 and  name HN   ) 2.5 0.7 0.2
assign (resid   39 and  name HN   )(resid   38 and  name HB#  ) 4.0 3.2 2.0 !#
! G40
assign (resid   40 and  name HN   )(resid   39 and  name HA   ) 4.0 2.2 1.0
assign (resid   40 and  name HN   )(resid   39 and  name HN   ) 4.0 2.2 1.0
assign (resid   40 and  name HN   )(resid   39 and  name HB#  ) 4.0 3.2 2.0 !#
! Q41
assign (resid   41 and  name HN   )(resid   40 and  name HN   ) 3.0 1.2 0.3
! N42
assign (resid   42 and  name HN   )(resid   41 and  name HA   ) 3.0 1.2 0.3
assign (resid   42 and  name HN   )(resid   41 and  name HB#  ) 4.0 3.2 2.0 !#
! P43
! T44
assign (resid   44 and  name HN   )(resid   43 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   44 and  name HN   )(resid   43 and  name HA   ) 3.0 1.2 0.3
assign (resid   44 and  name HG2# )(resid   45 and  name HB#  ) 4.0 4.7 3.5 ! !#
! E45
assign (resid   45 and  name HN   )(resid   44 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   45 and  name HN   )(resid   44 and  name HA   ) 2.5 0.7 0.2
assign (resid   45 and  name HN   )(resid   44 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid   45 and  name HN   )(resid   44 and  name HB   ) 4.0 2.2 1.0
! A46
assign (resid   46 and  name HN   )(resid   45 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   46 and  name HN   )(resid   45 and  name HA   ) 4.0 2.2 1.0
assign (resid   46 and  name HN   )(resid   45 and  name HN   ) 2.5 0.7 0.2
assign (resid   46 and  name HB#  )(resid   45 and  name HB#  ) 4.0 4.7 3.5 ! !#
assign (resid   46 and  name HB#  )(resid   45 and  name HG#  ) 4.0 4.7 3.5 ! !#
! E47 
assign (resid   47 and  name HN   )(resid   46 and  name HN   ) 3.0 1.2 0.3
assign (resid   47 and  name HN   )(resid   46 and  name HA   ) 4.0 2.2 1.0
assign (resid   47 and  name HN   )(resid   46 and  name HB#  ) 3.0 2.7 1.8 !#
assign (resid   47 and  name HA   )(resid   46 and  name HB#  ) 4.0 3.7 2.5 !#
! L48
assign (resid   48 and  name HN   )(resid   47 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   48 and  name HN   )(resid   47 and  name HN   ) 2.5 0.7 0.2
! Q49
assign (resid   49 and  name HN   )(resid   48 and  name HN   ) 2.5 0.7 0.2
assign (resid   49 and  name HN   )(resid   48 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   49 and  name HN   )(resid   48 and  name HA   ) 4.0 2.2 1.0
! D50
assign (resid   50 and  name HN   )(resid   49 and  name HN   ) 2.5 0.7 0.2
assign (resid   50 and  name HN   )(resid   49 and  name HA   ) 4.0 2.2 1.0
assign (resid   50 and  name HN   )(resid   49 and  name HB#  ) 3.0 2.2 1.3 !#
! M51
assign (resid   51 and  name HN   )(resid   50 and  name HN   ) 2.5 0.7 0.2
assign (resid   51 and  name HN   )(resid   50 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   51 and  name HN   )(resid   50 and  name HA   ) 4.0 2.2 1.0
! I52
assign (resid   52 and  name HN   )(resid   51 and  name HN   ) 3.0 1.2 0.3
assign (resid   52 and  name HN   )(resid   51 and  name HA   ) 4.0 2.2 1.0
assign (resid   52 and  name HN   )(resid   51 and  name HB#  ) 4.0 3.2 2.0 !#
! N53
assign (resid   53 and  name HN   )(resid   52 and  name HG1# ) 4.0 3.2 2.0 !#
assign (resid   53 and  name HN   )(resid   52 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   53 and  name HN   )(resid   52 and  name HN   ) 3.0 1.2 0.3
assign (resid   53 and  name HN   )(resid   52 and  name HB   ) 3.0 1.2 0.3
assign (resid   53 and  name HA   )(resid   52 and  name HG2# ) 3.0 2.7 1.8 !#
! E54
assign (resid   54 and  name HN   )(resid   53 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   54 and  name HN   )(resid   53 and  name HN   ) 3.0 1.2 0.3
assign (resid   54 and  name HN   )(resid   53 and  name HA   ) 4.0 2.2 1.0
assign (resid   54 and  name HB#  )(resid   55 and  name HG*  ) 2.5 4.1 3.6 ! !#
assign (resid   54 and  name HG#  )(resid   55 and  name HG*  ) 4.0 5.6 4.4 ! !#
! V55
assign (resid   55 and  name HN   )(resid   54 and  name HN   ) 4.0 2.2 1.0
assign (resid   55 and  name HN   )(resid   54 and  name HA   ) 4.0 2.2 1.0
assign (resid   55 and  name HN   )(resid   54 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   55 and  name HG*  )(resid   54 and  name HB#  ) 3.0 4.6 3.7 ! !#
! D56
assign (resid   56 and  name HN   )(resid   55 and  name HG*  ) 4.0 4.6 3.4 !#
assign (resid   56 and  name HN   )(resid   55 and  name HN   ) 2.5 0.7 0.2
assign (resid   56 and  name HN   )(resid   55 and  name HA   ) 4.0 2.2 1.0
assign (resid   56 and  name HA   )(resid   55 and  name HG*  ) 4.0 4.6 3.4 !#
! A57
assign (resid   57 and  name HN   )(resid   56 and  name HN   ) 4.0 2.2 1.0
assign (resid   57 and  name HN   )(resid   56 and  name HA   ) 2.5 0.7 0.2
! D58
assign (resid   58 and  name HN   )(resid   57 and  name HN   ) 4.0 2.2 1.0
assign (resid   58 and  name HN   )(resid   57 and  name HA   ) 4.0 2.2 1.0
assign (resid   58 and  name HN   )(resid   57 and  name HB#  ) 3.0 2.7 1.8 !#
!G59
assign (resid   59 and  name HN   )(resid   58 and  name HN   ) 3.0 1.2 0.3
assign (resid   59 and  name HN   )(resid   58 and  name HA   ) 4.0 2.2 1.0
! N60
assign (resid   60 and  name HN   )(resid   59 and  name HN   ) 4.0 2.2 1.0
assign (resid   60 and  name HN   )(resid   59 and  name HA#  ) 4.0 3.2 2.0 !#
! G61
assign (resid   61 and  name HN   )(resid   60 and  name HN   ) 3.0 1.2 0.3
! T62
assign (resid   62 and  name HN   )(resid   61 and  name HA#  ) 4.0 3.2 2.0 !#
! I63
assign (resid   63 and  name HN   )(resid   62 and  name HA   ) 2.5 0.7 0.2
assign (resid   63 and  name HN   )(resid   62 and  name HB   ) 3.0 1.2 0.3
! D64
assign (resid   64 and  name HN   )(resid   63 and  name HB   ) 4.0 2.2 1.0
assign (resid   64 and  name HN   )(resid   63 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   64 and  name HN   )(resid   63 and  name HA   ) 2.5 0.7 0.2
! F65
assign (resid   65 and  name HN   )(resid   64 and  name HA   ) 3.0 1.2 0.3
assign (resid   65 and  name HN   )(resid   64 and  name HB#  ) 2.5 1.7 1.2 !#
! P66
! E67
!residue 68 phe
assign (resid   68 and  name HN   )(resid   69 and   name HN   ) 3.0 1.2 0.3
assign (resid   68 and  name HN   )(resid   67 and  name HA   ) 4.0 2.2 1.0
assign (resid   68 and  name HN   )(resid   67 and  name HN   ) 4.0 2.2 1.0
assign (resid   68 and  name HN   )(resid   67 and  name HB#  ) 4.0 3.2 2.0 !#
!residue 69 leu
assign (resid   69 and   name HN   )(resid   70 and   name HN   ) 3.0 1.2 0.3
assign (resid   69 and   name HN   )(resid   68 and   name HD#  ) 4.0 4.2 3.0 !#
assign (resid   69 and   name HN   )(resid   68 and   name HA   ) 4.0 2.2 1.0
assign (resid   69 and   name HN   )(resid   68 and   name HB#  ) 4.0 3.2 2.0 !#
!residue 70 Thr
assign (resid   70 and   name HN   )(resid   71 and   name HN   ) 2.5 0.7 0.2
assign (resid   70 and   name HN   )(resid   69 and   name HB#  ) 4.0 3.2 2.0 !#
assign (resid   70 and   name HN   )(resid   69 and   name HD#  ) 4.0 4.6 3.4 !#
assign (resid   70 and   name HN   )(resid   69 and   name HA   ) 4.0 2.2 1.0
!residue 71 Met
assign (resid   71 and   name HN   )(resid   72 and   name HN   ) 2.5 0.7 0.2
assign (resid   71 and   name HN   )(resid   70 and   name HB   ) 4.0 2.2 1.0
assign (resid   71 and   name HN   )(resid   70 and   name HG2# ) 4.0 3.7 2.5 !#
assign (resid   71 and   name HA   )(resid   70 and   name HG2# ) 4.0 3.7 2.5 !#
assign (resid   71 and   name HG#  )(resid   72 and   name HE#  ) 4.0 4.7 3.5 ! !#
!residue 72 Met
assign (resid   72 and   name HN   )(resid   73 and   name HN   ) 2.5 0.7 0.2
assign (resid   72 and   name HN   )(resid   71 and   name HA   ) 3.5 1.7 0.5
assign (resid   72 and   name HN   )(resid   71 and   name HB#  ) 3.0 2.2 1.3 !#
!residue 73 Ala
assign (resid   73 and   name HN   )(resid   74 and   name HN   ) 2.5 0.7 0.2
assign (resid   73 and   name HN   )(resid   72 and   name HB#  ) 4.0 3.2 2.0 !#
assign (resid   73 and   name HN   )(resid   72 and   name HG#  ) 4.0 3.2 2.0 !#
assign (resid   73 and   name HN   )(resid   72 and   name HA   ) 3.5 1.7 0.5
!residue 74 Arg
assign (resid   74 and   name HN   )(resid   73 and   name HA   ) 3.0 1.2 0.3
assign (resid   74 and   name HN   )(resid   73 and   name HB#  ) 3.0 2.7 1.8 !#
!residue 75 Lys
assign (resid   75 and   name HN   )(resid   74 and   name HA   ) 3.0 1.2 0.3
!residue 76 Met
assign (resid   76 and   name HN   )(resid   75 and   name HA   ) 3.0 1.2 0.3
!residue 77 Lys
assign (resid   77 and   name HN   )(resid   76 and   name HA   ) 2.5 0.7 0.2
assign (resid   77 and   name HN   )(resid   76 and   name HB#  ) 4.0 3.2 2.0 !#
!residue 78 Asp
assign (resid   78 and   name HN   )(resid   77 and   name HA   ) 3.0 1.2 0.3
!residue 79 Thr
assign (resid   79 and   name HN   )(resid   78 and   name HA   ) 3.0 1.2 0.3
assign (resid   79 and   name HN   )(resid   78 and   name HB#  ) 4.0 3.2 2.0 !#
!residue 80 Asp
assign (resid   80 and   name HN   )(resid   79 and   name HA   ) 3.0 1.2 0.3
assign (resid   80 and   name HN   )(resid   79 and   name HG2# ) 4.0 3.7 2.5 !#
!residue 81 Ser
assign (resid   81 and   name HN   )(resid   80 and   name HA   ) 3.0 1.2 0.3
assign (resid   81 and   name HN   )(resid   80 and   name HB#  ) 4.0 3.2 2.0 !#
!residue 82 Glu
assign (resid   82 and   name HN   )(resid   81 and   name HA   ) 3.0 1.2 0.3
assign (resid   82 and   name HN   )(resid   83 and   name HN   ) 3.0 1.2 0.3
!residue 83 Glu
assign (resid   83 and   name HN   )(resid   82 and   name HA   ) 3.5 1.7 0.5
assign (resid   83 and   name HN   )(resid   84 and   name HN   ) 2.5 0.7 0.2
assign (resid   83 and   name HN   )(resid   82 and   name HB#  ) 4.0 3.2 2.0 !#
!residue 84 Glu
assign (resid   84 and   name HN   )(resid   85 and   name HN   ) 4.0 2.2 1.0
assign (resid   84 and   name HN   )(resid   83 and   name HA   ) 3.5 1.7 0.5
assign (resid   84 and   name HN   )(resid   83 and   name HB#  ) 4.0 3.2 2.0 !#
!residue 85 Ile
assign (resid   85 and   name HN   )(resid   86 and   name HN   ) 3.0 1.2 0.3
assign (resid   85 and   name HN   )(resid   84 and   name HB#  ) 3.5 2.7 1.5 !#
assign (resid   85 and   name HG2# )(resid   86 and   name HA   ) 4.0 3.7 2.5 !
!residue 86 Arg
assign (resid   86 and   name HN   )(resid   85 and   name HA   ) 3.5 1.7 0.5
assign (resid   86 and   name HN   )(resid   85 and   name HB   ) 3.0 1.2 0.3
assign (resid   86 and   name HN   )(resid   87 and   name HN   ) 3.0 1.2 0.3
assign (resid   86 and   name HN   )(resid   85 and   name HB   ) 3.5 1.7 0.5
!residue 87 Glu
assign (resid   87 and   name HN   )(resid   88 and   name HN   ) 3.0 1.2 0.3
!residue 88 Ala
assign (resid   88 and   name HN   )(resid   89 and   name HN   ) 2.5 0.7 0.2
assign (resid   88 and   name HN   )(resid   87 and   name HB#  ) 4.0 3.2 2.0 !#
!residue 89 Phe
assign (resid   89 and   name HN   )(resid   90 and   name HN   ) 3.0 1.2 0.3
assign (resid   89 and   name HN   )(resid   88 and   name HA   ) 3.5 1.7 0.5
assign (resid   89 and   name HN   )(resid   88 and   name HB#  ) 2.5 2.2 1.7 !#
!residue 90 Arg
assign (resid   90 and   name HN   )(resid   89 and   name HA   ) 3.5 1.7 0.5
assign (resid   90 and   name HN   )(resid   91 and   name HN   ) 3.0 1.2 0.3
assign (resid   90 and   name HN   )(resid   89 and   name HB#  ) 4.0 3.2 2.0 !#
!residue 91 Val
assign (resid   91 and   name HN   )(resid   92 and   name HN   ) 3.0 1.2 0.3
assign (resid   91 and   name HN   )(resid   90 and   name HB#  ) 3.5 2.7 1.5 !#
assign (resid   91 and  name HG*  )(resid   92 and  name HD#  ) 4.0 6.6 5.4 ! !#
assign (resid   91 and   name HG*  )(resid   90 and   name HG#  ) 4.0 5.6 4.4 ! !#
!residue 92 Phe
assign (resid   92 and  name HN   )(resid   93 and  name HN   ) 3.0 1.2 0.3
assign (resid   92 and   name HN   )(resid   91 and   name HB   ) 4.0 2.2 1.0
assign (resid   92 and   name HA   )(resid   91 and   name HG*  ) 3.0 3.6 2.7 !#
! D93
assign (resid   93 and  name HN   )(resid   92 and  name HN   ) 3.0 1.2 0.3
assign (resid   93 and  name HN   )(resid   92 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   93 and  name HN   )(resid   92 and  name HA   ) 4.0 2.2 1.0
! K94
assign (resid   94 and  name HN   )(resid   93 and  name HA   ) 3.0 1.2 0.3
! D95
assign (resid   95 and  name HN   )(resid   94 and  name HA   ) 4.0 2.2 1.0
assign (resid   95 and  name HN   )(resid   94 and  name HN   ) 3.0 1.2 0.3
assign (resid   95 and  name HN   )(resid   94 and  name HB#  ) 3.0 2.2 1.3 !#
! G96
assign (resid   96 and  name HN   )(resid   95 and  name HN   ) 4.0 2.2 1.0
assign (resid   96 and  name HN   )(resid   95 and  name HA   ) 4.0 2.2 1.0
! N97
assign (resid   97 and  name HN   )(resid   96 and  name HN   ) 4.0 2.2 1.0
assign (resid   97 and  name HN   )(resid   96 and  name HA#  ) 4.0 3.2 2.0 !#
! G98
assign (resid   98 and  name HN   )(resid   97 and  name HN   ) 4.0 2.2 1.0
! F99
assign (resid   99 and  name HN   )(resid   98 and  name HA#  ) 4.0 3.2 2.0 !#
assign (resid   99 and  name HN   )(resid   98 and  name HN   ) 4.0 2.2 1.0
! I100
assign (resid  100 and  name HN   )(resid   99 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  100 and  name HN   )(resid   99 and  name HA   ) 2.5 0.7 0.2
! S101
assign (resid  101 and  name HN   )(resid  100 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  101 and  name HN   )(resid  100 and  name HA   ) 2.5 0.7 0.2
! A102
assign (resid  102 and  name HN   )(resid  101 and  name HA   ) 2.5 0.7 0.2
assign (resid  102 and  name HN   )(resid  101 and  name HB#  ) 2.5 1.7 1.2 !#
! A103
assign (resid  103 and  name HN   )(resid  102 and  name HA   ) 3.0 1.2 0.3
assign (resid  103 and  name HN   )(resid  102 and  name HB#  ) 3.0 2.7 1.8 !#
assign (resid  103 and  name HN   )(resid  102 and  name HN   ) 3.0 1.2 0.3
! E104
assign (resid  104 and  name HN   )(resid  103 and  name HB#  ) 3.0 2.7 1.8 !#
assign (resid  104 and  name HN   )(resid  103 and  name HN   ) 2.5 0.7 0.2
assign (resid  104 and  name HN   )(resid  105 and  name HN   ) 3.0 1.2 0.3
assign (resid  104 and  name HN   )(resid  103 and  name HA   ) 4.0 2.2 1.0
! L105
assign (resid  105 and  name HN   )(resid  104 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  105 and  name HN   )(resid  104 and  name HN   ) 4.0 2.2 1.0
! R106
assign (resid  106 and  name HN   )(resid  105 and  name HN   ) 4.0 2.2 1.0
assign (resid  106 and  name HN   )(resid  105 and  name HB#  ) 3.0 2.2 1.3 !#
! H107
assign (resid  107 and  name HN   )(resid  106 and  name HB#  ) 4.0 3.2 2.0 !#
! V108
assign (resid  108 and  name HN   )(resid  107 and  name HB#  ) 4.0 3.2 2.0 !#
! M109
assign (resid  109 and  name HN   )(resid  108 and  name HN   ) 3.0 1.2 0.3
assign (resid  109 and  name HN   )(resid  108 and  name HG*  ) 4.0 4.6 3.4 !#
assign (resid  109 and  name HN   )(resid  108 and  name HA   ) 4.0 2.2 1.0
assign (resid  109 and  name HN   )(resid  108 and  name HB   ) 4.0 2.2 1.0
assign (resid  109 and  name HE#  )(resid  108 and  name HG*  ) 4.0 6.1 4.9 ! !#
! T110
assign (resid  110 and  name HN   )(resid  109 and  name HN   ) 4.0 2.2 1.0
assign (resid  110 and  name HN   )(resid  109 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  110 and  name HN   )(resid  109 and  name HG#  ) 4.0 3.2 2.0 !#
! N111
assign (resid  111 and  name HN   )(resid  110 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  111 and  name HN   )(resid  110 and  name HN   ) 3.0 1.2 0.3
assign (resid  111 and  name HN   )(resid  110 and  name HB   ) 4.0 2.2 1.0
assign (resid  111 and  name HA   )(resid  110 and  name HG2# ) 4.0 3.7 2.5 !#
! L112
assign (resid  112 and  name HN   )(resid  111 and  name HN   ) 4.0 2.2 1.0
! G113
assign (resid  113 and  name HN   )(resid  112 and  name HA   ) 3.0 1.2 0.3
assign (resid  113 and  name HN   )(resid  112 and  name HN   ) 4.0 2.2 1.0
assign (resid  113 and  name HN   )(resid  112 and  name HB#  ) 4.0 3.2 2.0 !#
! E114
assign (resid  114 and  name HN   )(resid  113 and  name HA#  ) 3.0 2.2 1.3 !#
assign (resid  114 and  name HN   )(resid  113 and  name HN   ) 3.0 1.2 0.3
! K115
assign (resid  115 and  name HN   )(resid  114 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid  115 and  name HN   )(resid  116 and  name HD#  ) 4.0 4.6 3.4 !#
! L116
assign (resid  116 and  name HN   )(resid  115 and  name HA   ) 2.5 0.7 0.2
assign (resid  116 and  name HN   )(resid  115 and  name HB#  ) 4.0 3.2 2.0 !#
! T117
assign (resid  117 and  name HN   )(resid  116 and  name HB#  ) 4.0 3.2 2.0 !#
! D118
assign (resid  118 and  name HN   )(resid  117 and  name HA   ) 3.0 1.2 0.3
! E119
assign (resid  119 and  name HN   )(resid  118 and  name HA   ) 3.0 1.2 0.3
assign (resid  119 and  name HN   )(resid  118 and  name HN   ) 2.5 0.7 0.2
assign (resid  119 and  name HA   )(resid  118 and  name HB#  ) 4.0 3.2 2.0 !#
! E120
assign (resid  120 and  name HN   )(resid  119 and  name HN   ) 4.0 2.2 1.0
assign (resid  120 and  name HN   )(resid  119 and  name HA   ) 4.0 2.2 1.0
! V121
assign (resid  121 and  name HN   )(resid  120 and  name HA   ) 4.0 2.2 1.0
assign (resid  121 and  name HN   )(resid  120 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid  121 and  name HN   )(resid  120 and  name HN   ) 4.0 2.2 1.0
! D122
assign (resid  122 and  name HN   )(resid  121 and  name HA   ) 4.0 2.2 1.0
assign (resid  122 and  name HN   )(resid  121 and  name HG*  ) 3.0 3.6 2.7 !#
assign (resid  122 and  name HN   )(resid  121 and  name HN   ) 4.0 2.2 1.0
assign (resid  122 and  name HN   )(resid  121 and  name HB   ) 2.5 0.7 0.2
! E123
assign (resid  123 and  name HN   )(resid  122 and  name HA   ) 4.0 2.2 1.0
assign (resid  123 and  name HN   )(resid  122 and  name HN   ) 3.0 1.2 0.3
assign (resid  123 and  name HN   )(resid  122 and  name HB#  ) 3.0 2.2 1.3 !#
! M124
assign (resid  124 and  name HN   )(resid  123 and  name HN   ) 3.0 1.2 0.3
assign (resid  124 and  name HN   )(resid  123 and  name HA   ) 3.0 1.2 0.3
! I125
assign (resid  125 and  name HN   )(resid  124 and  name HA   ) 4.0 2.2 1.0
assign (resid  125 and  name HN   )(resid  124 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid  125 and  name HN   )(resid  124 and  name HN   ) 3.0 1.2 0.3
! R126
assign (resid  126 and  name HN   )(resid  125 and  name HN   ) 4.0 2.2 1.0
assign (resid  126 and  name HN   )(resid  125 and  name HA   ) 4.0 2.2 1.0
assign (resid  126 and  name HN   )(resid  125 and  name HB   ) 4.0 2.2 1.0
assign (resid  126 and  name HN   )(resid  125 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  126 and  name HA   )(resid  125 and  name HG2# ) 4.0 3.7 2.5 !#
! E127
assign (resid  127 and  name HN   )(resid  126 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid  127 and  name HN   )(resid  126 and  name HN   ) 3.0 1.2 0.3
assign (resid  127 and  name HN   )(resid  126 and  name HA   ) 4.0 2.2 1.0
! A128
assign (resid  128 and  name HN   )(resid  127 and  name HN   ) 3.0 1.2 0.3
assign (resid  128 and  name HN   )(resid  127 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid  128 and  name HN   )(resid  127 and  name HA   ) 4.0 2.2 1.0
assign (resid  128 and  name HN   )(resid  127 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid  128 and  name HA   )(resid  127 and  name HB#  ) 4.0 3.2 2.0 !#
! N129
assign (resid  129 and  name HN   )(resid  128 and  name HA   ) 4.0 2.2 1.0
assign (resid  129 and  name HN   )(resid  128 and  name HN   ) 3.0 1.2 0.3
assign (resid  129 and  name HN   )(resid  128 and  name HB#  ) 3.0 2.7 1.8 !#
assign (resid  129 and  name HA   )(resid  130 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  129 and  name HB#  )(resid  130 and  name HD#  ) 4.0 4.7 4.5 ! !#
! I130
assign (resid  130 and  name HN   )(resid  129 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid  130 and  name HN   )(resid  129 and  name HA   ) 2.5 0.7 0.2
! D131
assign (resid  131 and  name HN   )(resid  130 and  name HA   ) 4.0 2.2 1.0
assign (resid  131 and  name HN   )(resid  130 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  131 and  name HN   )(resid  130 and  name HG1# ) 4.0 3.2 2.0 !#
assign (resid  131 and  name HN   )(resid  130 and  name HN   ) 3.0 1.2 0.3
assign (resid  131 and  name HN   )(resid  130 and  name HB   ) 4.0 2.2 1.0
! G132
assign (resid  132 and  name HN   )(resid  131 and  name HN   ) 4.0 2.2 1.0
! D133
assign (resid  133 and  name HN   )(resid  132 and  name HA#  ) 4.0 3.2 2.0 !#
assign (resid  133 and  name HN   )(resid  132 and  name HN   ) 4.0 2.2 1.0
! G134
assign (resid  134 and  name HN   )(resid  133 and  name HN   ) 3.0 1.2 0.3
! Q135
assign (resid  135 and  name HN   )(resid  134 and  name HA#  ) 4.0 3.2 2.0 !#
assign (resid  135 and  name HN   )(resid  134 and  name HN   ) 4.0 2.2 1.0
assign (resid  135 and  name HA   )(resid  136 and  name HG*  ) 3.0 3.6 2.7 !#
! V136
assign (resid  136 and  name HN   )(resid  135 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  136 and  name HN   )(resid  135 and  name HA   ) 2.5 0.7 0.2
! N137
assign (resid  137 and  name HN   )(resid  136 and  name HG*  ) 4.0 4.6 3.4 !#
assign (resid  137 and  name HN   )(resid  136 and  name HA   ) 4.0 2.2 1.0
! Y138
assign (resid  138 and  name HN   )(resid  137 and  name HA   ) 3.0 1.2 0.3
assign (resid  138 and  name HN   )(resid  137 and  name HB#  ) 3.0 2.2 1.3 !#
! E139
assign (resid  139 and  name HN   )(resid  138 and  name HA   ) 4.0 2.2 1.0
assign (resid  139 and  name HN   )(resid  138 and  name HD#  ) 4.0 4.2 3.0 !#
assign (resid  139 and  name HN   )(resid  138 and  name HN   ) 4.0 2.2 1.0
assign (resid  139 and  name HN   )(resid  138 and  name HB#  ) 3.0 2.2 1.3 !#
! E140
assign (resid  140 and  name HN   )(resid  139 and  name HN   ) 3.0 1.2 0.3
assign (resid  140 and  name HN   )(resid  139 and  name HA   ) 4.0 2.2 1.0
assign (resid  140 and  name HN   )(resid  139 and  name HB#  ) 4.0 3.2 2.0 !#
! F141
assign (resid  141 and  name HN   )(resid  140 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  141 and  name HN   )(resid  140 and  name HN   ) 3.0 1.2 0.3
assign (resid  141 and  name HN   )(resid  140 and  name HA   ) 3.0 1.2 0.3
! V142
assign (resid  142 and  name HN   )(resid  141 and  name HD#  ) 4.0 4.2 3.0 !#
assign (resid  142 and  name HN   )(resid  141 and  name HA   ) 4.0 2.2 1.0
assign (resid  142 and  name HN   )(resid  141 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid  142 and  name HN   )(resid  143 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  142 and  name HN   )(resid  141 and  name HN   ) 3.0 1.2 0.3
assign (resid  142 and  name HN   )(resid  141 and  name HD#  ) 4.0 4.2 3.0 !#
! T143
assign (resid  143 and  name HN   )(resid  142 and  name HA   ) 4.0 2.2 1.0
assign (resid  143 and  name HN   )(resid  142 and  name HG*  ) 4.0 4.6 3.4 !#
assign (resid  143 and  name HN   )(resid  142 and  name HN   ) 2.5 0.7 0.2
assign (resid  143 and  name HN   )(resid  142 and  name HB   ) 4.0 2.2 1.0
! M144
assign (resid  144 and  name HN   )(resid  143 and  name HN   ) 2.5 0.7 0.2
assign (resid  144 and  name HN   )(resid  143 and  name HB   ) 4.0 2.2 1.0
! M145
assign (resid  145 and  name HN   )(resid  144 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid  145 and  name HN   )(resid  146 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  145 and  name HN   )(resid  144 and  name HN   ) 3.0 1.2 0.3
assign (resid  145 and  name HA   )(resid  144 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  145 and  name HA   )(resid  144 and  name HB#  ) 4.0 3.2 2.0 !#
! T146
assign (resid  146 and  name HN   )(resid  145 and  name HN   ) 4.0 2.2 1.0
assign (resid  146 and  name HN   )(resid  145 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  146 and  name HG2# )(resid  145 and  name HB#  ) 4.0 4.7 3.5 ! !#
! S147
assign (resid  147 and  name HN   )(resid  146 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  147 and  name HN   )(resid  146 and  name HN   ) 4.0 2.2 1.0
assign (resid  147 and  name HN   )(resid  146 and  name HA   ) 3.0 1.2 0.3
assign (resid  147 and  name HN   )(resid  146 and  name HB   ) 4.0 2.2 1.0
! K148
assign (resid  148 and  name HN   )(resid  147 and  name HA   ) 3.0 1.2 0.3


!!calmodulin medium range NOEs 1 < |i-j >=5
assign (resid  141 and  name HA   )(resid  145 and  name HE#  ) 3.0 2.7 1.8 !#
assign (resid  141 and  name HB#  )(resid  145 and  name HE#  ) 3.0 3.7 2.8 ! !#
assign (resid  141 and  name HD#  )(resid  145 and  name HE#  ) 4.0 5.7 4.5 ! !#
assign (resid  141 and  name HA   )(resid  144 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid  141 and  name HB#  )(resid  144 and  name HE#  ) 4.0 4.7 3.5 ! !#
assign (resid   32 and  name HD#  )(resid   36 and  name HE#  ) 2.5 4.6 4.1 ! !#
assign (resid   48 and  name HD#  )(resid   51 and  name HE#  ) 4.0 6.1 4.9 ! !#
assign (resid   68 and  name HD#  )(resid   72 and  name HE#  ) 2.5 4.2 3.7 ! !#
assign (resid   68 and  name HE#  )(resid   72 and  name HE#  ) 2.5 4.2 3.7 ! !#
! Additional intra NOEs from the NOESY spectra of the CaM_M13 complex
assign (resid   15 and  name HB#  )(resid   19 and  name HD#  ) 4.0 5.7 4.5 ! !#
assign (resid   15 and  name HB#  )(resid   19 and  name HE#  ) 4.0 5.7 4.5 ! !#
assign (resid   65 and  name HD#  )(resid   69 and  name HD#  ) 4.0 6.6 5.4 ! !#
assign (resid   88 and  name HB#  )(resid   92 and  name HD#  ) 4.0 5.7 4.5 ! !#
assign (resid   88 and  name HB#  )(resid   92 and  name HE#  ) 4.0 5.7 4.5 ! !#
assign (resid  138 and  name HD#  )(resid  141 and  name HE#  ) 4.0 6.2 5.0 ! !#
assign (resid  138 and  name HE#  )(resid  141 and  name HE#  ) 4.0 6.2 5.0 ! !#
! NOE constraints from NOE_CT.TBL AND NOE_NT.TBL in [ikura.all.cter/nter]
! A1
! D2
assign (resid    2 and  name HA   )(resid    4 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid    2 and  name HA   )(resid    5 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid    2 and  name HA   )(resid    4 and  name HD#  ) 4.0 4.6 3.4 !#
! Q3
! L4
! T5
assign (resid    5 and  name HN   )(resid    3 and  name HG#  ) 4.0 3.2 2.0 !#
! E6
assign (resid    6 and  name HA   )(resid    9 and  name HB   ) 4.0 2.2 1.0
assign (resid    6 and  name HA   )(resid    9 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid    6 and  name HA   )(resid    9 and  name HG1# ) 4.0 3.2 2.0 !#
! E7
assign (resid    7 and  name HA   )(resid   10 and  name HB#  ) 3.0 2.7 1.8 !#
! Q8
assign (resid    8 and  name HN   )(resid    6 and  name HA   ) 4.0 2.2 1.0
assign (resid    8 and  name HN   )(resid   10 and  name HB#  ) 4.0 3.7 2.5 !#
assign (resid    8 and  name HA   )(resid   11 and  name HB#  ) 4.0 3.2 2.0 !#
! I9
assign (resid    9 and  name HN   )(resid    6 and  name HA   ) 4.0 2.2 1.0
assign (resid    9 and  name HA   )(resid   12 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid    9 and  name HG2# )(resid   12 and  name HD#  ) 4.0 5.7 4.5 ! !#
assign (resid    9 and  name HG2# )(resid   12 and  name HE#  ) 4.0 5.7 4.5 ! !#
assign (resid    9 and  name HG2# )(resid   13 and  name HE#  ) 4.0 4.7 3.5 ! !#
assign (resid    9 and  name HD#  )(resid    6 and  name HB#  ) 4.0 4.7 3.5 ! !#
assign (resid    9 and  name HD#  )(resid    6 and  name HG#  ) 4.0 4.7 3.5 ! !#
! A10
assign (resid   10 and  name HN   )(resid    7 and  name HA   ) 4.0 2.2 1.0
assign (resid   10 and  name HA   )(resid   13 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   10 and  name HA   )(resid   13 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   10 and  name HA   )(resid   13 and  name HD#  ) 4.0 3.2 2.0 !#
assign (resid   10 and  name HB#  )(resid    7 and  name HB#  ) 4.0 4.7 3.5 ! !#
assign (resid   10 and  name HB#  )(resid    7 and  name HG#  ) 4.0 4.7 3.5 ! !#
! E11
assign (resid   11 and  name HN   )(resid    8 and  name HA   ) 3.0 1.2 0.3
! F12
assign (resid   12 and  name HN   )(resid    9 and  name HA   ) 4.0 2.2 1.0
assign (resid   12 and  name HA   )(resid   15 and  name HB#  ) 3.0 2.7 1.8 !#
! K13
assign (resid   13 and  name HN   )(resid   10 and  name HA   ) 4.0 2.2 1.0
assign (resid   13 and  name HA   )(resid   16 and  name HE#  ) 4.0 4.2 3.0 !#
!E14
assign (resid   14 and  name HA   )(resid   17 and  name HB#  ) 3.0 2.2 1.3 !#
! A15
assign (resid   15 and  name HN   )(resid   12 and  name HA   ) 4.0 2.2 1.0
assign (resid   15 and  name HN   )(resid   11 and  name HA   ) 4.0 2.2 1.0
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 HG   ) 4.0 2.2 2.0
assign (resid   15 and  name HA   )(resid   18 and  name HD#  ) 3.0 3.6 2.7 !#
assign (resid   15 and  name HB#  )(resid   18 and  name HD#  ) 4.0 6.1 4.9 ! !#
! F16
assign (resid   15 and  name HA   )(resid   18 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   16 and  name HN   )(resid   12 and  name HA   ) 4.0 2.2 1.0
assign (resid   16 and  name HN   )(resid   13 and  name HA   ) 4.0 2.2 1.0
assign (resid   16 and  name HA   )(resid   19 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   16 and  name HB#  )(resid   13 and  name HA   ) 4.0 3.2 2.0 !
! S17
assign (resid   17 and  name HA   )(resid   20 and  name HB#  ) 4.0 3.2 2.0 !#
! L18
assign (resid   18 and  name HN   )(resid   15 and  name HA   ) 4.0 2.2 1.0
! F19
assign (resid   19 and  name HN   )(resid   16 and  name HA   ) 4.0 2.2 1.0
! D20
assign (resid   20 and  name HN   )(resid   17 and  name HA   ) 4.0 2.2 1.0
! K21
! D22
! G23
! D24
assign (resid   24 and  name HN   )(resid   26 and  name HN   ) 4.0 2.2 1.0
! G25
! T26
! I27
assign (resid   27 and  name HG2# )(resid   32 and  name HA   ) 4.0 3.7 2.5 !
assign (resid   27 and  name HG2# )(resid   32 and  name HB#  ) 3.0 3.7 2.8 ! !#
! T28
! T29
assign (resid   29 and  name HA   )(resid   32 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   29 and  name HA   )(resid   32 and  name HG   ) 4.0 2.2 1.0
assign (resid   29 and  name HA   )(resid   32 and  name HD#  ) 3.0 3.6 2.7 !#
assign (resid   29 and  name HG2# )(resid   32 and  name HD#  ) 3.0 5.1 4.2 ! !#
assign (resid   29 and  name HG2# )(resid   52 and  name HG2# ) 2.5 3.7 3.2 ! !#
! K30
assign (resid   30 and  name HN   )(resid   28 and  name HB   ) 4.0 2.2 1.0
assign (resid   30 and  name HN   )(resid   28 and  name HA   ) 4.0 2.2 1.0
assign (resid   30 and  name HA   )(resid   32 and  name HD#  ) 4.0 4.6 4.4 !#
! E31
assign (resid   31 and  name HN   )(resid   27 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   31 and  name HA   )(resid   34 and  name HB   ) 4.0 2.2 1.0
! L32
assign (resid   32 and  name HA   )(resid   35 and  name HB   ) 3.0 1.2 0.3
assign (resid   32 and  name HA   )(resid   35 and  name HG*  ) 4.0 4.6 3.4 !#
! G33
! T34
assign (resid   34 and  name HN   )(resid   31 and  name HA   ) 4.0 2.2 1.0
assign (resid   34 and  name HA   )(resid   37 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid   34 and  name HA   )(resid   37 and  name HD#  ) 4.0 3.2 2.0 !#
assign (resid   34 and  name HG2# )(resid   30 and  name HB#  ) 4.0 4.7 3.5 ! !#
assign (resid   34 and  name HG2# )(resid   30 and  name HD#  ) 4.0 4.7 3.5 ! !#
! V35
assign (resid   35 and  name HN   )(resid   32 and  name HA   ) 4.0 2.2 1.0
assign (resid   35 and  name HA   )(resid   38 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   35 and  name HA   )(resid   39 and  name HD#  ) 4.0 4.6 3.4 !#
assign (resid   35 and  name HG*  )(resid   39 and  name HD#  ) 4.0 7.0 5.8 ! !#
! M36
assign (resid   36 and  name HN   )(resid   32 and  name HD#  ) 4.0 4.6 3.4 !#
assign (resid   36 and  name HN   )(resid   33 and  name HA#  ) 4.0 3.2 2.0 !#
assign (resid   36 and  name HA   )(resid   39 and  name HD#  ) 2.5 3.1 2.6 !#
assign (resid   36 and  name HA   )(resid   39 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   36 and  name HE#  )(resid   39 and  name HD#  ) 4.0 6.1 4.9 ! !#
! R37
assign (resid   37 and  name HN   )(resid   34 and  name HA   ) 4.0 2.2 1.0
! S38
assign (resid   38 and  name HN   )(resid   35 and  name HA   ) 4.0 2.2 1.0
! L39
assign (resid   39 and  name HN   )(resid   36 and  name HA   ) 4.0 2.2 1.0
! G40
! Q41
assign (resid   41 and  name HN   )(resid   37 and  name HA   ) 2.5 0.7 0.2
assign (resid   41 and  name HB#  )(resid   43 and  name HD#  ) 4.0 4.2 3.0 ! !#
! N42
! P43
! T44
assign (resid   44 and  name HN   )(resid   47 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid   44 and  name HA   )(resid   47 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   44 and  name HB   )(resid   47 and  name HG#  ) 4.0 3.2 2.0 !#
! E45
assign (resid   45 and  name HN   )(resid   48 and  name HD#  ) 4.0 4.6 3.4 !#
assign (resid   45 and  name HA   )(resid   48 and  name HB#  ) 3.0 2.2 1.3 !#
! A46
assign (resid   46 and  name HN   )(resid   44 and  name HG2# ) 3.0 2.7 2.3 !#
assign (resid   46 and  name HA   )(resid   49 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   46 and  name HB#  )(resid   48 and  name HD#  ) 4.0 6.1 4.9 ! !#
! E47 
assign (resid   47 and  name HA   )(resid   50 and  name HB#  ) 3.0 2.2 1.3 !#
! L48
assign (resid   48 and  name HN   )(resid   45 and  name HA   ) 3.0 1.2 0.3
assign (resid   48 and  name HA   )(resid   51 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   48 and  name HD#  )(resid   51 and  name HB#  ) 4.0 5.6 4.4 ! !#
! Q49
assign (resid   49 and  name HN   )(resid   46 and  name HA   ) 4.0 2.2 1.0
assign (resid   49 and  name HA   )(resid   52 and  name HB#  ) 2.5 0.7 0.2
assign (resid   49 and  name HA   )(resid   52 and  name HD#  ) 3.0 2.7 1.8 !#
assign (resid   49 and  name HA   )(resid   52 and  name HG2# ) 3.0 2.7 1.8 !#
! D50
assign (resid   50 and  name HN   )(resid   47 and  name HA   ) 4.0 2.2 1.0
assign (resid   50 and  name HA   )(resid   53 and  name HB#  ) 2.5 1.7 1.2 !#
! M51
assign (resid   51 and  name HA   )(resid   54 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   51 and  name HE#  )(resid   48 and  name HD#  ) 3.0 5.1 4.2 ! !#
assign (resid   51 and  name HA   )(resid   55 and  name HG*  ) 4.0 4.6 3.4 !#
! I52
assign (resid   52 and  name HN   )(resid   49 and  name HA   ) 4.0 2.2 1.0
assign (resid   52 and  name HA   )(resid   55 and  name HG*  ) 2.5 3.1 2.6 !#
assign (resid   52 and  name HG2# )(resid   56 and  name HB#  ) 4.0 4.7 3.5 ! !#
! N53
assign (resid   53 and  name HN   )(resid   51 and  name HA   ) 4.0 2.2 1.0
assign (resid   53 and  name HN   )(resid   49 and  name HA   ) 4.0 2.2 1.0
assign (resid   53 and  name HA   )(resid   56 and  name HB#  ) 3.0 2.2 1.3 !#
! E54
! V55
! D56
assign (resid   56 and  name HN   )(resid   54 and  name HA   ) 4.0 2.2 1.0
assign (resid   56 and  name HN   )(resid   53 and  name HA   ) 3.0 1.2 0.3
assign (resid   56 and  name HN   )(resid   52 and  name HG2# ) 4.0 3.7 2.5 !#
! A57
! D58
! G59
! N60
! G61
! T62
assign (resid   62 and  name HN   )(resid   60 and  name HN   ) 4.0 2.2 1.0
assign (resid   62 and  name HN   )(resid   59 and  name HA#  ) 4.0 3.2 2.0 !#
! I63
assign (resid   63 and  name HG2# )(resid   68 and  name HA   ) 4.0 3.7 2.5 !
assign (resid   63 and  name HG2# )(resid   68 and  name HB#  ) 4.0 4.7 3.5 ! !#
assign (resid   63 and  name HG2# )(resid   67 and  name HB#  ) 4.0 4.7 3.5 ! !#
! D64
assign (resid   64 and  name HN   )(resid   67 and  name HB#  ) 4.0 3.2 2.0 !#
! F65
assign (resid   65 and  name HA   )(resid   69 and  name HD#  ) 4.0 4.6 3.4 !#
! P66
assign (resid   66 and  name HA   )(resid   69 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   66 and  name HA   )(resid   69 and  name HD#  ) 4.0 4.6 3.4 !#
! E67
assign (resid   67 and  name HA   )(resid   70 and  name HB   ) 4.0 2.2 1.0
assign (resid   67 and  name HA   )(resid   70 and  name HG2# ) 3.0 2.7 1.8 !#
!residue 68 phe
assign (resid   68 and  name HN   )(resid   63 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   68 and  name HN   )(resid   63 and  name HB   ) 4.0 2.2 1.0
assign (resid   68 and  name HA   )(resid   71 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   68 and   name HA   )(resid   70 and   name HG2# ) 4.0 3.7 3.5 !#
!residue 69 leu
assign (resid   69 and  name HN   )(resid   65 and  name HA   ) 4.0 2.2 1.0
!residue 70 Thr
assign (resid   70 and  name HN   )(resid   67 and  name HA   ) 4.0 2.2 1.0
assign (resid   70 and  name HB   )(resid   67 and  name HA   ) 4.0 2.2 1.0
assign (resid   70 and  name HG2# )(resid   74 and  name HD#  ) 4.0 4.7 3.5 ! !#
!residue 71 Met
assign (resid   71 and   name HN   )(resid   68 and   name HA   ) 4.0 2.2 1.0
assign (resid   71 and   name HA   )(resid   74 and   name HD#  ) 4.0 3.2 2.0 !#
assign (resid   71 and   name HA   )(resid   74 and   name HB#  ) 4.0 3.2 2.0 !#
!residue 72 Met
assign (resid   72 and   name HN   )(resid   69 and   name HA   ) 3.5 1.7 0.5
assign (resid   72 and   name HE#  )(resid   68 and   name HE#  ) 4.0 4.7 4.5 ! !#
assign (resid   72 and   name HE#  )(resid   68 and   name HZ   ) 4.0 2.7 2.5 !
!residue 73 Ala
assign (resid   73 and   name HN   )(resid   70 and   name HA   ) 4.0 2.2 1.0
assign (resid   73 and   name HN   )(resid   69 and   name HA   ) 4.0 2.2 1.0
assign (resid   73 and   name HB#  )(resid   70 and   name HA   ) 4.0 3.7 2.5 !
!residue 74 Arg
!residue 75 Lys
!residue 76 Met
!residue 77 Lys
!residue 78 Asp
!residue 79 Thr
!residue 80 Asp
!residue 81 Ser
!residue 82 Glu
assign (resid   82 and  name HA   )(resid   85 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   82 and  name HA   )(resid   85 and  name HD#  ) 4.0 3.7 2.5 !#
!residue 83 Glu
assign (resid   83 and   name HA   )(resid   86 and   name HG#  ) 4.0 3.2 2.0 !#
assign (resid   83 and   name HA   )(resid   86 and   name HD#  ) 4.0 3.2 2.0 !#
assign (resid   83 and   name HG#  )(resid   86 and   name HD#  ) 4.0 4.2 3.0 ! !#
!residue 84 Glu
!residue 85 Ile
assign (resid   85 and   name HA   )(resid   88 and   name HB#  ) 2.5 2.2 1.7 !#
assign (resid   85 and   name HG2# )(resid   89 and   name HD#  ) 3.0 4.7 3.8 ! !#
assign (resid   85 and   name HG2# )(resid   89 and   name HE#  ) 4.0 5.7 4.5 ! !#
!residue 86 Arg
assign (resid   86 and   name HB#  )(resid   83 and   name HA   ) 3.0 2.2 1.3 !
assign (resid   86 and   name HA   )(resid   89 and   name HB#  ) 3.0 2.2 1.3 !#
!residue 87 Glu
assign (resid   87 and   name HN   )(resid   84 and   name HA   ) 4.0 2.2 1.0
assign (resid   87 and  name HA   )(resid   90 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid   87 and  name HA   )(resid   90 and  name HD#  ) 4.0 3.2 2.0 !#
!residue 88 Ala
assign (resid   88 and   name HN   )(resid   85 and   name HA   ) 4.0 2.2 1.0
assign (resid   88 and   name HA   )(resid   91 and   name HB   ) 4.0 2.2 1.0
assign (resid   88 and   name HA   )(resid   91 and   name HG*  ) 3.0 3.6 2.7 !#
assign (resid   88 and   name HB#  )(resid   91 and   name HG*  ) 4.0 6.1 4.9 ! !#
assign (resid   88 and   name HB#  )(resid   85 and   name HD#  ) 4.0 5.2 4.0 ! !#
!residue 89 Phe
assign (resid   89 and   name HN   )(resid   86 and   name HA   ) 3.5 1.7 0.5
assign (resid   89 and   name HA   )(resid   92 and   name HD#  ) 3.5 3.7 2.5 !#
assign (resid   89 and  name HA   )(resid   92 and  name HB#  ) 4.0 3.2 2.0 !#
!residue 90 Arg
assign (resid   90 and   name HN   )(resid   87 and   name HA   ) 3.0 1.2 0.3
assign (resid   90 and   name HA   )(resid   93 and  name HB#  ) 3.0 2.2 1.3 !#
!residue 91 Val
assign (resid   91 and   name HN   )(resid   88 and   name HA   ) 3.5 1.7 0.5
assign (resid   91 and   name HG*  )(resid   87 and   name HG#  ) 4.0 5.6 4.4 ! !#
!residue 92 Phe
! D93
assign (resid   93 and  name HN   )(resid   90 and  name HA   ) 4.0 2.2 1.0
! K94
! D95
! G96
! N97
assign (resid   97 and  name HN   )(resid   99 and  name HN   ) 4.0 2.2 1.0
! G98
! F99
! I100
assign (resid  100 and  name HG2# )(resid  105 and  name HA   ) 4.0 3.7 2.5 !
assign (resid  100 and  name HG2# )(resid  104 and  name HB#  ) 4.0 4.7 3.5 ! !#
assign (resid  100 and  name HG2# )(resid  105 and  name HB#  ) 4.0 3.7 3.5 ! !#
! S101
assign (resid  101 and  name HN   )(resid  104 and  name HB#  ) 4.0 3.2 2.0 !#
! A102
assign (resid  102 and  name HA   )(resid  105 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  102 and  name HA   )(resid  105 and  name HD#  ) 4.0 4.6 3.4 !#
! A103
assign (resid  103 and  name HN   )(resid  101 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  103 and  name HA   )(resid  106 and  name HB#  ) 2.5 1.7 1.2 !#
! E104
assign (resid  104 and  name HN   )(resid  100 and  name HG2# ) 4.0 3.7 3.5 !#
assign (resid  104 and  name HA   )(resid  107 and  name HB#  ) 4.0 3.2 2.0 !#
! L105
assign (resid  105 and  name HN   )(resid  102 and  name HA   ) 4.0 2.2 1.0
assign (resid  105 and  name HA   )(resid  108 and  name HB   ) 4.0 2.2 1.5
assign (resid  105 and  name HD#  )(resid  108 and  name HG*  ) 4.0 7.0 5.8 ! !#
assign (resid  105 and  name HD#  )(resid  109 and  name HE#  ) 3.0 5.1 4.2 ! !#
! R106
assign (resid  106 and  name HN   )(resid  103 and  name HA   ) 4.0 2.2 1.0
assign (resid  106 and  name HA   )(resid  109 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid  106 and  name HG#  )(resid  110 and  name HG2# ) 4.0 4.7 3.5 ! !#
! H107
assign (resid  107 and  name HN   )(resid  104 and  name HA   ) 4.0 2.2 1.0
assign (resid  107 and  name HA   )(resid  110 and  name HB   ) 4.0 2.2 1.0
assign (resid  107 and  name HA   )(resid  110 and  name HG2# ) 4.0 3.7 2.5 !#
! V108
assign (resid  108 and  name HN   )(resid  105 and  name HA   ) 4.0 2.2 1.0
! M109
assign (resid  109 and  name HN   )(resid  106 and  name HN   ) 4.0 2.2 1.0
assign (resid  109 and  name HA   )(resid  112 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  109 and  name HE#  )(resid  105 and  name HD#  ) 4.0 6.1 5.9 ! !#
! T110
! N111
! L112
! G113
! E114
! K115
! L116
assign (resid  116 and  name HD#  )(resid  121 and  name HA   ) 4.0 4.6 3.4 !
! T117
assign (resid  117 and  name HN   )(resid  120 and  name HG#  ) 4.0 3.2 2.0 !#
! D118
assign (resid  118 and  name HA   )(resid  121 and  name HB   ) 3.0 1.2 0.3
assign (resid  118 and  name HA   )(resid  121 and  name HG*  ) 3.0 3.6 2.7 !#
! E119
assign (resid  119 and  name HA   )(resid  122 and  name HB#  ) 2.5 1.7 1.2 !#
! E120
assign (resid  120 and  name HA   )(resid  123 and  name HB#  ) 3.0 2.2 1.3 !#
! V121
assign (resid  121 and  name HN   )(resid  116 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  121 and  name HN   )(resid  116 and  name HD#  ) 4.0 4.6 4.4 !#
assign (resid  121 and  name HN   )(resid  119 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  121 and  name HA   )(resid  124 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid  121 and  name HG*  )(resid  125 and  name HD#  ) 4.0 6.1 5.9 ! !#
assign (resid  121 and  name HG*  )(resid  124 and  name HG#  ) 4.0 5.6 4.4 ! !#
! D122
assign (resid  122 and  name HN   )(resid  119 and  name HA   ) 4.0 2.2 1.0
assign (resid  122 and  name HA   )(resid  125 and  name HB   ) 3.0 1.2 0.3
assign (resid  122 and  name HA   )(resid  125 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  122 and  name HA   )(resid  125 and  name HG1# ) 4.0 3.2 2.0 !#
! E123
assign (resid  123 and  name HA   )(resid  126 and  name HB#  ) 4.0 3.2 2.0 !#
! M124
assign (resid  124 and  name HN   )(resid  121 and  name HA   ) 4.0 2.2 1.0
assign (resid  124 and  name HA   )(resid  127 and  name HB#  ) 4.0 3.2 2.0 !#
! I125
assign (resid  125 and  name HN   )(resid  122 and  name HA   ) 3.0 1.2 0.8
assign (resid  125 and  name HA   )(resid  128 and  name HB#  ) 4.0 3.7 2.5 !#
assign (resid  125 and  name HD#  )(resid  122 and  name HA   ) 4.0 3.7 2.5 !
assign (resid  125 and  name HG2# )(resid  129 and  name HB#  ) 4.0 4.7 3.5 ! !#
! R126
assign (resid  126 and  name HN   )(resid  123 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  126 and  name HA   )(resid  129 and  name HB#  ) 4.0 3.2 2.0 !#
! E127
! A128
assign (resid  128 and  name HN   )(resid  125 and  name HA   ) 4.0 2.2 1.0
! N129
assign (resid  129 and  name HN   )(resid  126 and  name HA   ) 4.0 2.2 1.0
assign (resid  129 and  name HN   )(resid  125 and  name HG2# ) 4.0 3.7 2.5 !#
! I130
! D131
! G132
! D133
! G134
! Q135
! V136
assign (resid  136 and  name HA   )(resid  140 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  136 and  name HG*  )(resid  141 and  name HA   ) 4.0 4.6 3.4 !
assign (resid  136 and  name HG*  )(resid  141 and  name HB#  ) 4.0 5.6 4.4 ! !#
assign (resid  136 and  name HG*  )(resid  140 and  name HB#  ) 4.0 5.6 4.4 ! !#
! N137
! Y138
assign (resid  138 and  name HA   )(resid  141 and  name HB#  ) 3.0 2.2 1.3 !#
assign (resid  138 and  name HD#  )(resid  142 and  name HG*  ) 4.0 6.6 6.4 ! !#
assign (resid  138 and  name HE#  )(resid  142 and  name HG*  ) 4.0 6.6 5.4 ! !#
! E139
assign (resid  139 and  name HA   )(resid  142 and  name HB   ) 4.0 2.2 1.5
assign (resid  139 and  name HA   )(resid  142 and  name HG*  ) 4.0 4.6 3.4 !#
! E140
assign (resid  140 and  name HA   )(resid  143 and  name HB   ) 4.0 2.2 1.0
! F141
assign (resid  141 and  name HN   )(resid  136 and  name HG*  ) 4.0 4.6 3.4 !#
assign (resid  141 and  name HN   )(resid  138 and  name HA   ) 4.0 2.2 1.0
assign (resid  141 and  name HA   )(resid  144 and  name HB#  ) 3.0 2.2 1.3 !#
! V142
assign (resid  142 and  name HN   )(resid  139 and  name HA   ) 4.0 2.2 1.0
assign (resid  142 and  name HA   )(resid  145 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  142 and  name HG*  )(resid  146 and  name HG2# ) 3.0 5.1 4.2 ! !#
assign (resid  142 and  name HG*  )(resid  146 and  name HB   ) 3.0 3.6 2.7 !
assign (resid  142 and  name HA   )(resid  146 and  name HG2# ) 4.0 3.7 2.5 !#
! T143
assign (resid  143 and  name HA   )(resid  146 and  name HB   ) 4.0 2.2 1.0
! M144
! M145
! T146
assign (resid  146 and  name HN   )(resid  144 and  name HB#  ) 4.0 3.2 2.0 !#
! S147
! K148
assign (resid  148 and  name HN   )(resid  146 and  name HA   ) 4.0 2.2 1.0

!!calmodulin long range NOEs |i-j| > 5

!NOEs between C and N-domains
assign (resid   91 and  name HG*  )(resid   39 and  name HD#  ) 4.0 7.0 5.8 ! !#
assign (resid   91 and  name HA   )(resid   39 and  name HD#  ) 4.0 4.6 3.4 !#
assign (resid   21 and  name HE#  )(resid  112 and  name HD#  ) 4.0 5.6 4.4 ! !#
assign (resid   35 and  name HG*  )(resid  112 and  name HD#  ) 4.0 7.0 5.8 ! !#
assign (resid   92 and  name HZ   )(resid  109 and  name HE#  ) 3.5 3.2 3.0 !#
assign (resid   92 and  name HE#  )(resid  109 and  name HE#  ) 4.0 5.7 4.5 ! !#
assign (resid  128 and  name HB#  )(resid  144 and  name HE#  ) 2.5 3.7 3.2 ! !#
assign (resid  128 and  name HA   )(resid  144 and  name HE#  ) 2.5 2.2 1.7 !#
assign (resid   19 and  name HZ   )(resid   36 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid   32 and  name HD#  )(resid   51 and  name HE#  ) 2.5 4.6 4.1 ! !#
assign (resid    9 and  name HG2# )(resid   65 and  name HD#  ) 4.0 5.7 4.5 ! !#
assign (resid   15 and  name HB#  )(resid   68 and  name HE#  ) 4.0 5.7 4.5 ! !#
assign (resid   68 and  name HE#  )(resid   27 and  name HD#  ) 4.0 5.7 4.5 ! !#
assign (resid   88 and  name HB#  )(resid  141 and  name HE#  ) 4.0 5.7 4.5 ! !#
assign (resid   89 and  name HD#  )(resid  142 and  name HG*  ) 4.0 6.6 5.4 ! !#
assign (resid  138 and  name HE#  )(resid   85 and  name HG2# ) 3.0 4.7 3.8 ! !#
assign (resid  138 and  name HD#  )(resid   85 and  name HG2# ) 4.0 5.7 4.5 ! !#
assign (resid  138 and  name HE#  )(resid   86 and  name HG#  ) 4.0 5.2 4.0 ! !#
assign (resid  138 and  name HE#  )(resid   86 and  name HB#  ) 4.0 5.2 4.0 ! !#
assign (resid  138 and  name HD#  )(resid   89 and  name HD#  ) 4.0 6.2 5.0 ! !#
assign (resid  138 and  name HE#  )(resid   89 and  name HD#  ) 4.0 6.2 5.0 ! !#
assign (resid  141 and  name HD#  )(resid   85 and  name HG2# ) 4.0 5.7 4.5 ! !#
assign (resid  141 and  name HE#  )(resid   85 and  name HG2# ) 4.0 5.7 4.5 ! !#
! A1
! D2
! Q3
! L4
! T5
! E6
! E7
! Q8
! I9
assign (resid    9 and  name HA   )(resid   69 and  name HD#  ) 4.0 4.6 3.4 !#
assign (resid    9 and  name HG2# )(resid   69 and  name HD#  ) 3.0 5.1 4.2 ! !#
! A10
! E11
! F12
assign (resid   12 and  name HN   )(resid   69 and  name HD#  ) 4.0 4.6 3.4 !#
! K13
! E14
! A15
assign (resid   15 and  name HB#  )(resid   68 and  name HD#  ) 3.0 4.7 3.8 ! !#
assign (resid   15 and  name HB#  )(resid   68 and  name HE#  ) 3.0 4.7 3.8 ! !#
! F16
assign (resid   16 and  name HA   )(resid   27 and  name HD#  ) 4.0 3.7 2.5 !#
! S17
! L18
assign (resid   18 and  name HG   )(resid   35 and  name HG*  ) 4.0 4.6 3.4 !#
! F19
assign (resid   19 and  name HA   )(resid   35 and  name HG*  ) 4.0 4.6 3.4 !#
assign (resid   19 and  name HB#  )(resid   27 and  name HG2# ) 4.0 4.7 3.5 ! !#
assign (resid   19 and  name HA   )(resid   27 and  name HD#  ) 4.0 3.7 2.5 !#
assign (resid   19 and  name HB#  )(resid   27 and  name HD#  ) 3.0 3.7 2.8 ! !#
! D20
assign (resid   20 and  name HA   )(resid   27 and  name HD#  ) 4.0 3.7 2.5 !#
! K21
assign (resid   21 and  name HN   )(resid   31 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid   21 and  name HD#  )(resid   35 and  name HG*  ) 4.0 5.6 4.4 ! !#
! D22
! G23
! D24
! G25
! T26
assign (resid   26 and  name HA   )(resid   64 and  name HA   ) 3.0 1.2 0.3
assign (resid   26 and  name HG2# )(resid   62 and  name HB   ) 4.0 3.7 2.5 !
assign (resid   26 and  name HB   )(resid   62 and  name HB   ) 2.5 0.7 0.2
assign (resid   26 and  name HB   )(resid   62 and  name HG2# ) 4.0 3.7 2.5 !#
! I27
assign (resid   27 and  name HD#  )(resid   16 and  name HE#  ) 4.0 5.7 4.5 ! !#
assign (resid   27 and  name HD#  )(resid   63 and  name HD#  ) 3.0 4.2 3.3 ! !#
! T28
assign (resid   28 and  name HA   )(resid   62 and  name HB   ) 3.0 1.2 0.8
assign (resid   28 and  name HA   )(resid   62 and  name HG2# ) 2.5 2.2 1.7 !#
assign (resid   28 and  name HA   )(resid   62 and  name HA   ) 3.0 1.2 0.8
assign (resid   28 and  name HA   )(resid   52 and  name HD#  ) 3.0 2.7 1.8 !#
assign (resid   28 and  name HG2# )(resid   62 and  name HG2# ) 3.0 4.2 3.3 ! !#
assign (resid   28 and  name HG2# )(resid   62 and  name HB   ) 4.0 3.7 2.5 !
assign (resid   28 and  name HB   )(resid   62 and  name HG2# ) 4.0 3.7 2.5 !#
! T29
assign (resid   29 and  name HA   )(resid   52 and  name HD#  ) 3.0 2.7 1.8 !#
assign (resid   29 and  name HG2# )(resid   52 and  name HG2# ) 2.5 3.7 3.2 ! !#
assign (resid   29 and  name HG2# )(resid   48 and  name HB#  ) 3.0 3.7 2.8 ! !#
assign (resid   29 and  name HG2# )(resid   49 and  name HB#  ) 4.0 4.7 3.5 ! !#
assign (resid   29 and  name HG2# )(resid   49 and  name HG#  ) 4.0 4.7 3.5 ! !#
assign (resid   29 and  name HG2# )(resid   52 and  name HD#  ) 2.5 3.7 3.2 ! !#
! K30
! E31
! L32
assign (resid   32 and  name HD#  )(resid   19 and  name HD#  ) 4.0 6.6 5.4 ! !#
assign (resid   32 and  name HD#  )(resid   19 and  name HE#  ) 4.0 6.6 5.4 ! !#
assign (resid   32 and  name HD#  )(resid   19 and  name HZ#  ) 4.0 4.6 3.4 !
! G33
! T34
! V35
assign (resid   35 and  name HG*  )(resid   19 and  name HD#  ) 3.0 5.6 4.7 ! !#
! M36
assign (resid   36 and  name HG#  )(resid   48 and  name HD#  ) 4.0 5.6 4.4 ! !#
! R37
assign (resid   37 and  name HB#  )(resid   48 and  name HD#  ) 4.0 5.6 4.4 ! !#
! S38
! L39
! G40
! Q41
! N42
! P43
! T44
! E45
! A46
! E47 
! L48
assign (resid   48 and  name HN   )(resid   29 and  name HG2# ) 4.0 3.7 2.5 !#
! Q49
assign (resid   49 and  name HA   )(resid   29 and  name HG2# ) 3.0 2.7 1.8 !#
! D50
! M51
! I52
assign (resid   52 and  name HD#  )(resid   63 and  name HG1# ) 4.0 4.7 3.5 ! !#
assign (resid   52 and  name HD#  )(resid   63 and  name HD#  ) 4.0 5.2 5.0 ! !#
assign (resid   52 and  name HD#  )(resid   62 and  name HA   ) 4.0 3.7 2.5 !
! N53
! E54
! V55
assign (resid   55 and  name HG*  )(resid   63 and  name HG2# ) 4.0 6.1 4.9 ! !#
assign (resid   55 and  name HG*  )(resid   63 and  name HG1# ) 4.0 5.6 4.4 ! !#
! D56
assign (resid   56 and  name HA   )(resid   63 and  name HD#  ) 4.0 3.7 2.5 !#
! A57
! D58
! G59
! N60
! G61
! T62
assign (resid   62 and  name HA   )(resid   28 and  name HG2# ) 4.0 3.7 3.5 !#
! I63
assign (resid   63 and  name HN   )(resid   27 and  name HN   ) 4.0 2.2 1.0
assign (resid   63 and  name HG2# )(resid   27 and  name HB   ) 4.0 3.7 2.5 !
! D64
assign (resid   64 and  name HA   )(resid   26 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid   64 and  name HA   )(resid   16 and  name HE#  ) 4.0 4.2 3.0 !#
! F65
! P66
! E67
!residue 68 phe
assign (resid   68 and  name HD#  )(resid   27 and  name HD#  ) 4.0 5.7 4.5 ! !#
!residue 69 Leu
assign (resid   69 and  name HD#  )(resid   12 and  name HB#  ) 4.0 5.6 4.4 ! !#
assign (resid   69 and  name HD#  )(resid   12 and  name HD#  ) 3.0 5.6 4.7 ! !#
assign (resid   69 and  name HD#  )(resid   12 and  name HE#  ) 4.0 6.6 5.4 ! !#
!residue 70 Thr
!residue 71 Met
assign (resid   71 and  name HA   )(resid   55 and  name HG*  ) 4.0 4.6 3.4 !#
!residue 72 Met
!residue 73 Ala
!residue 74 Arg
!residue 76 Met
!residue 77 Lys
!residue 78 Asp
!residue 79 Thr
!residue 80 Asp
!residue 81 Ser
!residue 82 Glu
!residue 83 Glu
!residue 84 Glu
!residue 85 Ile
assign (resid   85 and  name HG2# )(resid  142 and  name HG*  ) 4.0 6.1 4.9 ! !#
assign (resid   85 and   name HG2# )(resid  138 and   name HD#  ) 4.0 5.7 4.5 ! !#
assign (resid   85 and   name HG2# )(resid  138 and   name HE#  ) 3.0 4.7 3.8 ! !#
!residue 86 Arg
assign (resid   86 and   name HG#  )(resid  138 and   name HE#  ) 4.0 5.2 4.0 ! !#
assign (resid   86 and   name HA   )(resid  138 and   name HE#  ) 3.0 3.2 2.3 !#
assign (resid   86 and   name HA   )(resid  138 and   name HD#  ) 4.0 4.2 3.0 !#
!residue 87 Glu
!residue 88 Ala
assign (resid   88 and   name HB#  )(resid  141 and   name HZ   ) 4.0 3.7 2.5 !
!residue 89 Phe
assign (resid   89 and  name HA   )(resid  100 and  name HD#  ) 4.0 3.7 2.5 !#
assign (resid   89 and  name HB#  )(resid  141 and  name HE#  ) 4.0 5.2 4.0 ! !#
!residue 90 Arg
!residue 91 Val
assign (resid   91 and  name HG*  )(resid  108 and  name HG*  ) 4.0 7.0 5.8 ! !#
!residue 92 Phe
assign (resid   92 and   name HA   )(resid  100 and   name HD#  ) 4.0 3.7 2.5 !#
assign (resid   92 and   name HA   )(resid  108 and   name HG*  ) 4.0 4.6 3.4 !#
! D93
assign (resid   93 and  name HN   )(resid  100 and  name HD#  ) 4.0 3.7 2.5 !#
! K94
! D95
! G96
! N97
! G98
! F99
assign (resid   99 and  name HA   )(resid  137 and  name HA   ) 3.0 1.2 0.3
assign (resid   99 and  name HD#  )(resid  135 and  name HB#  ) 4.0 5.2 4.0 ! !#
assign (resid   99 and  name HD#  )(resid  135 and  name HG#  ) 4.0 5.2 4.0 ! !#
! I100
assign (resid  100 and  name HN   )(resid  136 and  name HN   ) 4.0 2.2 1.0
assign (resid  100 and  name HN   )(resid  136 and  name HB#  ) 4.0 2.2 1.0
assign (resid  100 and  name HD#  )(resid   89 and  name HE#  ) 4.0 5.7 4.5 ! !#
assign (resid  100 and  name HD#  )(resid   89 and  name HD#  ) 4.0 5.7 4.5 ! !#
assign (resid  100 and  name HD#  )(resid  136 and  name HB   ) 4.0 3.7 2.5 !
assign (resid  100 and  name HB   )(resid  136 and  name HB   ) 4.0 2.2 1.0
assign (resid  100 and  name HB   )(resid  136 and  name HG*  ) 4.0 4.6 3.4 !#
assign (resid  100 and  name HD#  )(resid  100 and  name HG1# ) 2.5 3.2 2.7 ! !#
assign (resid  100 and  name HD#  )(resid  100 and  name HG2# ) 2.5 3.7 3.2 ! !#
assign (resid  100 and  name HD#  )(resid   92 and  name HB#  ) 3.0 3.7 2.8 ! !#
assign (resid  100 and  name HD#  )(resid  136 and  name HG*  ) 3.0 5.1 4.2 ! !#
assign (resid  100 and  name HG2# )(resid  105 and  name HA   ) 4.0 3.7 2.5 !
assign (resid  100 and  name HG2# )(resid   92 and  name HB#  ) 4.0 4.7 3.5 ! !#
assign (resid  100 and  name HG2# )(resid  125 and  name HD#  ) 4.0 4.2 4.0 ! !#
assign (resid  100 and  name HG2# )(resid  136 and  name HG*  ) 3.0 5.1 4.2 ! !#
! S101
assign (resid  101 and  name HA   )(resid  135 and  name HA   ) 4.0 2.2 1.0
assign (resid  101 and  name HA   )(resid  135 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  101 and  name HA   )(resid  135 and  name HG#  ) 4.0 3.2 2.0 !#
assign (resid  101 and  name HA   )(resid  125 and  name HD#  ) 4.0 3.7 2.5 !#
! A102
assign (resid  102 and  name HN   )(resid  125 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  102 and  name HN   )(resid  125 and  name HD#  ) 4.0 3.7 3.5 !#
assign (resid  102 and  name HA   )(resid  125 and  name HD#  ) 3.0 2.7 1.8 !#
assign (resid  102 and  name HA   )(resid  121 and  name HG*  ) 4.0 4.6 3.4 !#
assign (resid  102 and  name HB#  )(resid  121 and  name HG*  ) 4.0 6.1 4.9 ! !#
assign (resid  102 and  name HB#  )(resid  125 and  name HD#  ) 4.0 5.2 5.0 ! !#
assign (resid  102 and  name HA   )(resid  125 and  name HG1# ) 4.0 3.2 2.0 !#
! A103
assign (resid  103 and  name HA   )(resid  121 and  name HG*  ) 4.0 4.6 4.4 !#
! E104
! L105
assign (resid  105 and  name HD#  )(resid   92 and  name HD#  ) 3.0 5.6 4.7 ! !#
assign (resid  105 and  name HD#  )(resid   92 and  name HE#  ) 3.0 5.6 4.7 ! !#
assign (resid  105 and  name HD#  )(resid   92 and  name HB#  ) 4.0 5.6 5.4 ! !#
assign (resid  105 and  name HD#  )(resid  121 and  name HG*  ) 4.0 7.0 5.8 ! !#
assign (resid  105 and  name HD#  )(resid  124 and  name HB#  ) 3.0 4.6 3.7 ! !#
assign (resid  105 and  name HB#  )(resid  125 and  name HD#  ) 4.0 4.7 3.5 ! !#
! R106
assign (resid  106 and  name HA   )(resid  121 and  name HG*  ) 3.0 3.6 2.7 !#
assign (resid  106 and  name HA   )(resid  116 and  name HD#  ) 4.0 4.6 4.4 !#
assign (resid  106 and  name HG#  )(resid  121 and  name HG*  ) 4.0 5.6 4.4 ! !#
assign (resid  106 and  name HD#  )(resid  121 and  name HG*  ) 4.0 5.6 4.4 ! !#
assign (resid  106 and  name HB#  )(resid  121 and  name HG*  ) 4.0 5.6 4.4 ! !#
! H107
! V108
assign (resid  108 and  name HG*  )(resid   92 and  name HD#  ) 4.0 6.6 5.4 ! !#
assign (resid  108 and  name HG*  )(resid   92 and  name HE#  ) 4.0 6.6 5.4 ! !#
assign (resid  108 and  name HG*  )(resid   92 and  name HZ   ) 4.0 4.6 4.4 !
! M109
assign (resid  109 and  name HA   )(resid  116 and  name HD#  ) 4.0 4.6 4.4 !#
assign (resid  109 and  name HE#  )(resid  116 and  name HD#  ) 3.0 5.1 4.2 ! !#
! T110
! N111
! L112
! G113
! E114
! K115
! L116
assign (resid  116 and  name HD#  )(resid  121 and  name HA   ) 4.0 4.6 3.4 !
! T117
! D118
! E119
! E120
! V121
assign (resid  121 and  name HG*  )(resid  109 and  name HB#  ) 4.0 5.6 5.4 ! !#
assign (resid  121 and  name HG*  )(resid  109 and  name HG#  ) 4.0 5.6 5.4 ! !#
! D122
! E123
! M124
assign (resid  124 and  name HE#  )(resid  116 and  name HD#  ) 4.0 6.1 5.9 ! !#
! I125
assign (resid  125 and  name HN   )(resid  105 and  name HD#  ) 4.0 4.6 4.4 !#
assign (resid  125 and  name HA   )(resid  136 and  name HG*  ) 4.0 4.6 3.4 !#
assign (resid  125 and  name HD#  )(resid  136 and  name HG*  ) 4.0 6.1 4.9 ! !#
assign (resid  125 and  name HD#  )(resid  136 and  name HB   ) 4.0 3.7 2.5 !
assign (resid  125 and  name HD#  )(resid  135 and  name HA   ) 4.0 3.7 2.5 !
assign (resid  125 and  name HG2# )(resid  136 and  name HG*  ) 4.0 6.1 5.9 ! !#
! R126
! E127
! A128
assign (resid  128 and  name HB#  )(resid  136 and  name HG*  ) 4.0 6.1 4.9 ! !#
assign (resid  128 and  name HB#  )(resid  136 and  name HB   ) 4.0 3.7 2.5 !
! N129
! I130
! D131
! G132
! D133
! G134
! Q135
assign (resid  135 and  name HA   )(resid  125 and  name HG2# ) 3.0 2.7 1.8 !#
! V136
assign (resid  136 and  name HN   )(resid  100 and  name HB   ) 4.0 2.2 1.0
assign (resid  136 and  name HN   )(resid  125 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  136 and  name HN   )(resid  100 and  name HD#  ) 4.0 3.7 2.5 !#
! N137
! Y138
assign (resid  138 and  name HN   )(resid   89 and  name HZ   ) 4.0 2.2 1.0
! E139
! E140
! F141
assign (resid  141 and  name HD#  )(resid  100 and  name HD#  ) 4.0 5.7 4.5 ! !#
assign (resid  141 and  name HE#  )(resid  100 and  name HD#  ) 4.0 5.7 4.5 ! !#
! V142
! T143
! M144
! M145
! T146

!!calmodulin hbond restraints
assign (resid    7 and  name O    )(resid   11 and  name N    ) 2.8 0.4 0.5
assign (resid    7 and  name O    )(resid   11 and  name HN   ) 1.8 0.3 0.5
assign (resid    8 and  name O    )(resid   12 and  name N    ) 2.8 0.4 0.5
assign (resid    8 and  name O    )(resid   12 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
assign (resid    9 and  name O    )(resid   13 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
assign (resid   10 and  name O    )(resid   14 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
assign (resid   11 and  name O    )(resid   15 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
assign (resid   12 and  name O    )(resid   16 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
assign (resid   13 and  name O    )(resid   17 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
assign (resid   14 and  name O    )(resid   18 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
assign (resid   15 and  name O    )(resid   19 and  name HN   ) 1.8 0.3 0.5
!HBONDS
assign (resid   29 and  name O    )(resid   33 and  name N    ) 2.8 0.4 0.5
assign (resid   29 and  name O    )(resid   33 and  name HN   ) 1.8 0.3 0.5
assign (resid   30 and  name O    )(resid   34 and  name N    ) 2.8 0.4 0.5
assign (resid   30 and  name O    )(resid   34 and  name HN   ) 1.8 0.3 0.5
assign (resid   31 and  name O    )(resid   35 and  name N    ) 2.8 0.4 0.5
assign (resid   31 and  name O    )(resid   35 and  name HN   ) 1.8 0.3 0.5
assign (resid   32 and  name O    )(resid   36 and  name N    ) 2.8 0.4 0.5
assign (resid   32 and  name O    )(resid   36 and  name HN   ) 1.8 0.3 0.5
assign (resid   33 and  name O    )(resid   37 and  name N    ) 2.8 0.4 0.5
assign (resid   33 and  name O    )(resid   37 and  name HN   ) 1.8 0.3 0.5
assign (resid   34 and  name O    )(resid   38 and  name N    ) 2.8 0.4 0.5
assign (resid   34 and  name O    )(resid   38 and  name HN   ) 1.8 0.3 0.5
!HBONDS
assign (resid   45 and  name O    )(resid   49 and  name N    ) 2.8 0.4 0.5
assign (resid   45 and  name O    )(resid   49 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
assign (resid   46 and  name O    )(resid   50 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
assign (resid   47 and  name O    )(resid   51 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
assign (resid   48 and  name O    )(resid   52 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
assign (resid   49 and  name O    )(resid   53 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
assign (resid   50 and  name O    )(resid   54 and  name HN   ) 1.8 0.3 0.5
!H-bonds
assign (resid   65 and  name O    )(resid   69 and  name N    ) 2.8 0.4 0.5
assign (resid   65 and  name O    )(resid   69 and  name HN   ) 1.8 0.3 0.5
assign (resid   66 and  name O    )(resid   70 and  name N    ) 2.8 0.4 0.5
assign (resid   66 and  name O    )(resid   70 and  name HN   ) 1.8 0.3 0.5
assign (resid   67 and  name O    )(resid   71 and  name N    ) 2.8 0.4 0.5
assign (resid   67 and  name O    )(resid   71 and  name HN   ) 1.8 0.3 0.5
assign (resid   68 and  name O    )(resid   72 and  name N    ) 2.8 0.4 0.5
assign (resid   68 and  name O    )(resid   72 and  name HN   ) 1.8 0.3 0.5
assign (resid   69 and  name O    )(resid   73 and  name N    ) 2.8 0.4 0.5
assign (resid   69 and  name O    )(resid   73 and  name HN   ) 1.8 0.3 0.5
assign (resid   70 and  name O    )(resid   74 and  name N    ) 2.8 0.4 0.5
assign (resid   70 and  name O    )(resid   74 and  name HN   ) 1.8 0.3 0.5
!HBONDS
assign (resid   82 and  name O    )(resid   86 and  name N    ) 2.8 0.3 0.5
assign (resid   82 and  name O    )(resid   86 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
assign (resid   83 and  name O    )(resid   87 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
assign (resid   84 and  name O    )(resid   88 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
assign (resid   85 and  name O    )(resid   89 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
assign (resid   86 and  name O    )(resid   90 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
assign (resid   87 and  name O    )(resid   91 and  name HN   ) 1.8 0.3 0.5
assign (resid   88 and  name O    )(resid   92 and  name N    ) 2.8 0.4 0.5
assign (resid   88 and  name O    )(resid   92 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
assign (resid   89 and  name O    )(resid   93 and  name HN   ) 1.8 0.3 0.5
!HBONDS
assign (resid  102 and  name O    )(resid  106 and  name N    ) 2.8 0.4 0.5
assign (resid  102 and  name O    )(resid  106 and  name HN   ) 1.8 0.3 0.5
assign (resid  103 and  name O    )(resid  107 and  name N    ) 2.8 0.4 0.5
assign (resid  103 and  name O    )(resid  107 and  name HN   ) 1.8 0.3 0.5
assign (resid  104 and  name O    )(resid  108 and  name N    ) 2.8 0.4 0.5
assign (resid  104 and  name O    )(resid  108 and  name HN   ) 1.8 0.3 0.5
assign (resid  105 and  name O    )(resid  109 and  name N    ) 2.8 0.4 0.5
assign (resid  105 and  name O    )(resid  109 and  name HN   ) 1.8 0.3 0.5
assign (resid  106 and  name O    )(resid  110 and  name N    ) 2.8 0.4 0.5
assign (resid  106 and  name O    )(resid  110 and  name HN   ) 1.8 0.3 0.5
assign (resid  107 and  name O    )(resid  111 and  name N    ) 2.8 0.4 0.5
assign (resid  107 and  name O    )(resid  111 and  name HN   ) 1.8 0.3 0.5
!HBONDS
assign (resid  118 and  name O    )(resid  122 and  name N    ) 2.8 0.4 0.5
assign (resid  118 and  name O    )(resid  122 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
assign (resid  119 and  name O    )(resid  123 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
assign (resid  120 and  name O    )(resid  124 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
assign (resid  121 and  name O    )(resid  125 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
assign (resid  122 and  name O    )(resid  126 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
assign (resid  123 and  name O    )(resid  127 and  name HN   ) 1.8 0.3 0.5
!HBONDS
assign (resid  138 and  name O    )(resid  142 and  name N    ) 2.8 0.4 0.5
assign (resid  138 and  name O    )(resid  142 and  name HN   ) 1.8 0.3 0.5
assign (resid  139 and  name O    )(resid  143 and  name N    ) 2.8 0.4 0.5
assign (resid  139 and  name O    )(resid  143 and  name HN   ) 1.8 0.3 0.5
assign (resid  140 and  name O    )(resid  144 and  name N    ) 2.8 0.4 0.5
assign (resid  140 and  name O    )(resid  144 and  name HN   ) 1.8 0.3 0.5
assign (resid  141 and  name O    )(resid  145 and  name N    ) 2.8 0.4 0.5
assign (resid  141 and  name O    )(resid  145 and  name HN   ) 1.8 0.3 0.5
!beta-sheet h-bonds
assign (resid   63 and  name O    )(resid   27 and  name N    ) 2.8 0.4 0.8
assign (resid   63 and  name O    )(resid   27 and  name HN   ) 1.8 0.3 0.8
assign (resid   27 and  name O    )(resid   63 and  name N    ) 2.8 0.4 0.8
assign (resid   27 and  name O    )(resid   63 and  name HN   ) 1.8 0.3 0.8
assign (resid  136 and  name O    )(resid  100 and  name N    ) 2.8 0.4 0.8
assign (resid  136 and  name O    )(resid  100 and  name HN   ) 1.8 0.3 0.8
assign (resid  100 and  name O    )(resid  136 and  name N    ) 2.8 0.4 0.8
assign (resid  100 and  name O    )(resid  136 and  name HN   ) 1.8 0.3 0.8
!Gly h-bond
assign (resid   20 and  name OD1  )(resid   25 and  name N    ) 2.8 0.4 0.8
assign (resid   20 and  name OD1  )(resid   25 and  name HN   ) 1.8 0.3 0.8
assign (resid   56 and  name OD1  )(resid   61 and  name N    ) 2.8 0.4 0.8
assign (resid   56 and  name OD1  )(resid   61 and  name HN   ) 1.8 0.3 0.8
assign (resid   93 and  name OD1  )(resid   98 and  name N    ) 2.8 0.4 0.8
assign (resid   93 and  name OD1  )(resid   98 and  name HN   ) 1.8 0.3 0.8
assign (resid  129 and  name OD1  )(resid  134 and  name N    ) 2.8 0.4 0.8
assign (resid  129 and  name OD1  )(resid  134 and  name HN   ) 1.8 0.3 0.8


!!peptide intraresidue NOEs
! K1
assign (resid  201 and  name HA   )(resid  201 and  name HB#  ) 2.5 1.7 1.2 !#
! R2
assign (resid  202 and  name HA   )(resid  202 and  name HB#  ) 3.0 2.2 1.3 !#
! R3
assign (resid  203 and  name HA   )(resid  203 and  name HB#  ) 3.0 2.2 1.3 !#
! W4
assign (resid  204 and  name HN   )(resid  204 and  name HA   ) 3.0 1.2 0.3
assign (resid  204 and  name HN   )(resid  204 and  name HB#  ) 3.0 1.8 0.9 !#
assign (resid  204 and  name HA   )(resid  204 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid  204 and  name HD1  )(resid  204 and  name HA   ) 4.0 2.2 1.0
assign (resid  204 and  name HD1  )(resid  204 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid  204 and  name HE3  )(resid  204 and  name HA   ) 4.0 2.2 1.0
assign (resid  204 and  name HE3  )(resid  204 and  name HB#  ) 3.0 2.2 1.3 !#
! K5
assign (resid  205 and  name HN   )(resid  205 and  name HA   ) 2.5 0.7 0.2
assign (resid  205 and  name HN   )(resid  205 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  205 and  name HA   )(resid  205 and  name HB#  ) 2.5 1.7 1.2 !#
! K6
assign (resid  206 and  name HN   )(resid  206 and  name HA   ) 2.5 0.7 0.2
assign (resid  206 and  name HN   )(resid  206 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  206 and  name HA   )(resid  206 and  name HB#  ) 2.5 1.7 1.2 !#
! N7
assign (resid  207 and  name HN   )(resid  207 and  name HA   ) 3.0 1.2 0.3
assign (resid  207 and  name HN   )(resid  207 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  207 and  name HA   )(resid  207 and  name HB#  ) 2.5 1.7 1.2 !#

! F8
assign (resid  208 and  name HN   )(resid  208 and  name HD#  ) 4.0 4.2 3.0 !#
assign (resid  208 and  name HN   )(resid  208 and  name HA   ) 2.5 0.7 0.2
assign (resid  208 and  name HN   )(resid  208 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  208 and  name HA   )(resid  208 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid  208 and  name HD#  )(resid  208 and  name HB#  ) 2.5 3.7 3.2 ! !#
assign (resid  208 and  name HD#  )(resid  208 and  name HA   ) 2.5 2.7 2.2 !
! I9
assign (resid  209 and  name HN   )(resid  209 and  name HA   ) 2.5 0.7 0.2
assign (resid  209 and  name HN   )(resid  209 and  name HB#  ) 2.5 0.7 0.2
assign (resid  209 and  name HN   )(resid  209 and  name HG2# ) 2.5 2.2 1.7 !#
assign (resid  209 and  name HN   )(resid  209 and  name HD#  ) 4.0 3.7 2.5 !#
assign (resid  209 and  name HA   )(resid  209 and  name HB   ) 2.5 0.7 0.2
assign (resid  209 and  name HA   )(resid  209 and  name HG2# ) 2.5 1.8 1.3 !#
assign (resid  209 and  name HA   )(resid  209 and  name HG1# ) 4.0 2.8 1.6 !#
assign (resid  209 and  name HA   )(resid  209 and  name HD#  ) 3.0 2.7 1.8 !#
! A10
assign (resid  210 and  name HN   )(resid  210 and  name HA   ) 2.5 0.7 0.2
assign (resid  210 and  name HN   )(resid  210 and  name HB#  ) 2.5 1.8 1.3 !#
assign (resid  210 and  name HA   )(resid  210 and  name HB#  ) 2.5 2.2 1.7 !#
! V11
assign (resid  211 and  name HN   )(resid  211 and  name HA   ) 2.5 0.7 0.2
assign (resid  211 and  name HN   )(resid  211 and  name HB   ) 2.5 0.7 0.2
assign (resid  211 and  name HN   )(resid  211 and  name HG*  ) 2.5 2.4 1.9 !#
assign (resid  211 and  name HA   )(resid  211 and  name HB   ) 2.5 0.7 0.2
assign (resid  211 and  name HA   )(resid  211 and  name HG*  ) 2.5 1.3 0.8 !#
! S12
assign (resid  212 and  name HN   )(resid  212 and  name HA   ) 4.0 2.2 1.0
assign (resid  212 and  name HN   )(resid  212 and  name HB#  ) 3.0 1.8 0.9 !#
! A13
assign (resid  213 and  name HN   )(resid  213 and  name HA   ) 2.5 0.7 0.2
assign (resid  213 and  name HN   )(resid  213 and  name HB#  ) 2.5 1.8 1.3 !#
assign (resid  213 and  name HA   )(resid  213 and  name HB#  ) 2.5 2.2 1.7 !#
! A14
assign (resid  214 and  name HN   )(resid  214 and  name HA   ) 3.0 1.2 0.3
assign (resid  214 and  name HA   )(resid  214 and  name HB#  ) 2.5 2.2 1.7 !#
! N15
assign (resid  215 and  name HN   )(resid  215 and  name HB#  ) 3.0 1.8 0.9
assign (resid  215 and  name HA   )(resid  215 and  name HB#  ) 2.5 2.2 1.7 !#
! R16
assign (resid  216 and  name HN   )(resid  216 and  name HB#  ) 4.0 2.8 1.6 !#
assign (resid  216 and  name HA   )(resid  216 and  name HB#  ) 2.5 1.7 1.2 !#
! F17
assign (resid  217 and  name HN   )(resid  217 and  name HA   ) 3.0 1.2 0.3
assign (resid  217 and  name HN   )(resid  217 and  name HB#  ) 3.0 1.8 0.9 !#
assign (resid  217 and  name HN   )(resid  217 and  name HD#  ) 3.0 3.2 2.3 !#
assign (resid  217 and  name HA   )(resid  217 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid  217 and  name HD#  )(resid  217 and  name HA   ) 2.5 2.7 2.2 !
assign (resid  217 and  name HE#  )(resid  217 and  name HA   ) 3.0 3.2 2.3 !
! K18
assign (resid  218 and  name HN   )(resid  218 and  name HA   ) 2.5 0.7 0.2
assign (resid  218 and  name HN   )(resid  218 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  218 and  name HA   )(resid  218 and  name HB#  ) 2.5 1.7 1.2 !#
assign (resid  218 and  name HA   )(resid  218 and  name HD#  ) 4.0 3.2 2.0 !#
assign (resid  218 and  name HA   )(resid  218 and  name HG#  ) 4.0 2.8 1.6 !#
! K19
assign (resid  219 and  name HN   )(resid  219 and  name HA   ) 2.5 0.7 0.2
assign (resid  219 and  name HN   )(resid  219 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  219 and  name HA   )(resid  219 and  name HB#  ) 2.5 1.7 1.2 !#
! I20
assign (resid  220 and  name HN   )(resid  220 and  name HA   ) 2.5 0.7 0.2
assign (resid  220 and  name HN   )(resid  220 and  name HB#  ) 2.5 0.7 0.2
assign (resid  220 and  name HN   )(resid  220 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid  220 and  name HA   )(resid  220 and  name HB   ) 2.5 0.7 0.2
assign (resid  220 and  name HA   )(resid  220 and  name HG1# ) 2.5 1.3 0.8 !#
assign (resid  220 and  name HA   )(resid  220 and  name HG2# ) 2.5 1.8 1.3 !#
assign (resid  220 and  name HA   )(resid  220 and  name HD#  ) 2.5 2.2 1.7 !#
! S21
assign (resid  221 and  name HN   )(resid  221 and  name HA   ) 2.5 0.7 0.2
assign (resid  221 and  name HN   )(resid  221 and  name HB#  ) 2.5 1.3 0.8 !#
assign (resid  221 and  name HA   )(resid  221 and  name HB#  ) 2.5 1.7 1.2 !#
! S22
assign (resid  222 and  name HA   )(resid  222 and  name HB#  ) 2.5 1.7 1.2 !#
! S23
assign (resid  223 and  name HA   )(resid  223 and  name HB#  ) 2.5 1.7 1.2 !#
! G24
! A25
assign (resid  225 and  name HA   )(resid  225 and  name HB#  ) 2.5 2.2 1.7 !#
! L26
assign (resid  226 and  name HA   )(resid  226 and  name HB#  ) 2.5 1.7 1.2 !#


!!peptide sequential NOEs |i-j|=1
! K1
! R2
! R3
! W4
assign (resid  204 and  name HN   )(resid  203 and  name HN   ) 4.0 2.2 1.0
! K5
assign (resid  205 and  name HN   )(resid  204 and  name HN   ) 2.5 0.7 0.2
assign (resid  205 and  name HN   )(resid  204 and  name HA   ) 4.0 2.2 1.0
assign (resid  205 and  name HN   )(resid  204 and  name HB#  ) 4.0 3.2 2.0 !#
! K6
assign (resid  206 and  name HN   )(resid  205 and  name HB#  ) 3.0 2.2 1.3 !#
! N7
assign (resid  207 and  name HN   )(resid  206 and  name HN   ) 2.5 0.7 0.2
assign (resid  207 and  name HN   )(resid  206 and  name HA   ) 3.0 1.2 0.3

! F8
assign (resid  208 and  name HN   )(resid  207 and  name HN   ) 2.5 0.7 0.2
assign (resid  208 and  name HN   )(resid  207 and  name HB#  ) 4.0 3.2 2.0 !#
assign (resid  208 and  name HD#  )(resid  209 and  name HA   ) 4.0 4.2 3.0 !
assign (resid  208 and  name HD#  )(resid  209 and  name HB   ) 3.0 3.2 2.3 !
assign (resid  208 and  name HD#  )(resid  209 and  name HG2# ) 3.0 4.7 3.8 ! !#
assign (resid  208 and  name HD#  )(resid  209 and  name HG2# ) 4.0 5.7 4.5 ! !#
assign (resid  208 and  name HD#  )(resid  209 and  name HD#  ) 4.0 5.7 4.5 ! !#
! I9
assign (resid  209 and  name HN   )(resid  208 and  name HN   ) 2.5 0.7 0.2
assign (resid  209 and  name HN   )(resid  208 and  name HD#  ) 3.0 3.2 2.3 !#
assign (resid  209 and  name HN   )(resid  208 and  name HA   ) 4.0 2.2 1.0
assign (resid  209 and  name HN   )(resid  210 and  name HB#  ) 4.0 3.7 2.5 !#
! A10
assign (resid  210 and  name HN   )(resid  209 and  name HN   ) 2.5 0.7 0.2
assign (resid  210 and  name HN   )(resid  209 and  name HA   ) 4.0 2.2 1.0
assign (resid  210 and  name HN   )(resid  209 and  name HB   ) 2.5 0.7 0.2
assign (resid  210 and  name HN   )(resid  209 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid  210 and  name HA   )(resid  209 and  name HG#  ) 3.0 2.2 1.3 !#
! V11
assign (resid  211 and  name HN   )(resid  210 and  name HN   ) 3.0 1.2 0.3
assign (resid  211 and  name HN   )(resid  210 and  name HA   ) 4.0 2.2 1.0
assign (resid  211 and  name HN   )(resid  210 and  name HB#  ) 2.5 2.2 1.7 !#
assign (resid  211 and  name HG*  )(resid  210 and  name HB#  ) 3.0 5.1 4.2 ! !#
! S12
assign (resid  212 and  name HN   )(resid  211 and  name HN   ) 3.0 1.2 0.3
assign (resid  212 and  name HN   )(resid  211 and  name HB   ) 2.5 0.7 0.2
assign (resid  212 and  name HN   )(resid  211 and  name HG*  ) 3.0 3.6 2.7 !#
! A13
assign (resid  213 and  name HN   )(resid  212 and  name HN   ) 2.5 0.7 0.2
assign (resid  213 and  name HN   )(resid  212 and  name HA   ) 4.0 2.2 1.0
assign (resid  213 and  name HN   )(resid  212 and  name HB#  ) 4.0 3.2 2.0 !#
! A14
assign (resid  214 and  name HN   )(resid  213 and  name HN   ) 2.5 0.7 0.2
assign (resid  214 and  name HN   )(resid  213 and  name HA   ) 4.0 2.2 1.0
assign (resid  214 and  name HN   )(resid  213 and  name HB#  ) 2.5 2.2 1.7 !#
! N15
assign (resid  215 and  name HN   )(resid  214 and  name HN   ) 3.0 1.2 0.3
assign (resid  215 and  name HN   )(resid  214 and  name HB#  ) 2.5 2.2 1.7 !#
! R16
assign (resid  216 and  name HN   )(resid  215 and  name HN   ) 2.5 0.7 0.2
assign (resid  216 and  name HN   )(resid  215 and  name HB#  ) 4.0 3.2 2.0 !#
! F17
assign (resid  217 and  name HN   )(resid  216 and  name HN   ) 2.5 0.7 0.2
! K18
assign (resid  218 and  name HN   )(resid  217 and  name HN   ) 3.0 1.2 0.3
assign (resid  218 and  name HN   )(resid  217 and  name HB#  ) 4.0 3.2 2.0 !#
! K19
assign (resid  219 and  name HN   )(resid  218 and  name HN   ) 2.5 0.7 0.2
assign (resid  219 and  name HN   )(resid  218 and  name HA   ) 4.0 2.2 1.0
! I20
assign (resid  220 and  name HN   )(resid  219 and  name HN   ) 3.0 1.2 0.3
assign (resid  220 and  name HN   )(resid  219 and  name HA   ) 3.0 1.2 0.3
! S21
assign (resid  221 and  name HN   )(resid  220 and  name HN   ) 2.5 0.7 0.2
assign (resid  221 and  name HN   )(resid  220 and  name HB   ) 4.0 2.2 1.0
assign (resid  221 and  name HN   )(resid  220 and  name HG#  ) 3.0 2.2 1.3 !#
assign (resid  221 and  name HA   )(resid  220 and  name HB   ) 4.0 2.2 1.0
! S22
! S23
! G24
! A25
! L26

!!peptide medium range NOEs 1 < |i-j| >=5
! K1
! R2
! R3
! W4
assign (resid  204 and  name HA   )(resid  207 and  name HB#  ) 4.0 3.2 2.0 !#
! K5
assign (resid  205 and  name HA   )(resid  208 and  name HB#  ) 2.5 1.7 1.2 !#
! K6
assign (resid  206 and  name HA   )(resid  209 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  206 and  name HA   )(resid  209 and  name HD#  ) 2.5 2.2 1.7 !#
! N7
assign (resid  207 and  name HA   )(resid  210 and  name HB#  ) 3.0 2.7 1.8 !#

! F8
assign (resid  208 and  name HN   )(resid  205 and  name HA   ) 4.0 2.2 1.0
assign (resid  208 and  name HA   )(resid  211 and  name HB#  ) 3.0 1.2 0.3
assign (resid  208 and  name HA   )(resid  211 and  name HG*  ) 3.0 3.6 2.7 !#
assign (resid  208 and  name HD#  )(resid  205 and  name HA   ) 3.0 3.2 2.3 !
assign (resid  208 and  name HD#  )(resid  210 and  name HB#  ) 4.0 5.7 4.5 ! !#
! I9
assign (resid  209 and  name HN   )(resid  205 and  name HA   ) 4.0 2.2 1.0
assign (resid  209 and  name HN   )(resid  206 and  name HA   ) 4.0 2.2 1.0
assign (resid  209 and  name HA   )(resid  212 and  name HB#  ) 2.5 1.7 1.2 !#
! A10
assign (resid  210 and  name HA   )(resid  213 and  name HB#  ) 3.0 2.7 1.8 !#
! V11
assign (resid  211 and  name HA   )(resid  214 and  name HB#  ) 2.5 2.2 1.7 !#
assign (resid  211 and  name HG*  )(resid  214 and  name HB#  ) 3.0 5.1 4.2 ! !#
! S12
assign (resid  212 and  name HN   )(resid  209 and  name HA   ) 4.0 2.2 1.0
assign (resid  212 and  name HA   )(resid  215 and  name HB#  ) 2.5 1.7 1.2 !#
! A13
assign (resid  213 and  name HN   )(resid  210 and  name HA   ) 4.0 2.2 1.0
assign (resid  213 and  name HA   )(resid  216 and  name HB#  ) 3.0 2.2 1.3 !#
! A14
assign (resid  214 and  name HN   )(resid  211 and  name HA   ) 3.0 1.2 0.3
assign (resid  214 and  name HA   )(resid  217 and  name HB#  ) 4.0 3.2 2.0 !#
! N15
assign (resid  215 and  name HN   )(resid  212 and  name HA   ) 4.0 2.2 1.0
assign (resid  215 and  name HA   )(resid  218 and  name HB#  ) 3.0 2.2 1.3 !#
! R16
! F17
assign (resid  217 and  name HA   )(resid  220 and  name HB#  ) 3.0 1.2 0.3
assign (resid  217 and  name HA   )(resid  220 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  217 and  name HA   )(resid  220 and  name HD#  ) 2.5 2.2 1.7 !#
assign (resid  217 and  name HD#  )(resid  214 and  name HA   ) 2.5 2.7 2.2 !
assign (resid  217 and  name HE#  )(resid  214 and  name HA   ) 4.0 4.2 3.0 !
assign (resid  217 and  name HD#  )(resid  214 and  name HB#  ) 3.0 4.7 3.8 ! !#
assign (resid  217 and  name HE#  )(resid  214 and  name HB#  ) 4.0 5.7 4.5 ! !#
assign (resid  217 and  name HD#  )(resid  213 and  name HA   ) 4.0 4.2 3.0 !
assign (resid  217 and  name HE#  )(resid  213 and  name HA   ) 4.0 4.2 3.0 !
! K18
! K19
! I20
! S21
! S22
! S23
! G24
! A25
! L26

!!peptide hbond restraints
assign (resid  204 and  name O    )(resid  208 and  name N    ) 2.8 0.4 0.5
assign (resid  204 and  name O    )(resid  208 and  name HN   ) 1.8 0.3 0.5
assign (resid  205 and  name O    )(resid  209 and  name N    ) 2.8 0.4 0.5
assign (resid  205 and  name O    )(resid  209 and  name HN   ) 1.8 0.3 0.5
assign (resid  206 and  name O    )(resid  210 and  name N    ) 2.8 0.4 0.5
assign (resid  206 and  name O    )(resid  210 and  name HN   ) 1.8 0.3 0.5
assign (resid  207 and  name O    )(resid  211 and  name N    ) 2.8 0.4 0.5
assign (resid  207 and  name O    )(resid  211 and  name HN   ) 1.8 0.3 0.5
assign (resid  208 and  name O    )(resid  212 and  name N    ) 2.8 0.4 0.5
assign (resid  208 and  name O    )(resid  212 and  name HN   ) 1.8 0.3 0.5
assign (resid  209 and  name O    )(resid  213 and  name N    ) 2.8 0.4 0.5
assign (resid  209 and  name O    )(resid  213 and  name HN   ) 1.8 0.3 0.5
assign (resid  210 and  name O    )(resid  214 and  name N    ) 2.8 0.4 0.5
assign (resid  210 and  name O    )(resid  214 and  name HN   ) 1.8 0.3 0.5
assign (resid  211 and  name O    )(resid  215 and  name N    ) 2.8 0.4 0.5
assign (resid  211 and  name O    )(resid  215 and  name HN   ) 1.8 0.3 0.5
assign (resid  212 and  name O    )(resid  216 and  name N    ) 2.8 0.4 0.5
assign (resid  212 and  name O    )(resid  216 and  name HN   ) 1.8 0.3 0.5
assign (resid  213 and  name O    )(resid  217 and  name N    ) 2.8 0.4 0.5
assign (resid  213 and  name O    )(resid  217 and  name HN   ) 1.8 0.3 0.5
assign (resid  214 and  name O    )(resid  218 and  name N    ) 2.8 0.4 0.5
assign (resid  214 and  name O    )(resid  218 and  name HN   ) 1.8 0.3 0.5
assign (resid  215 and  name O    )(resid  219 and  name N    ) 2.8 0.4 0.5
assign (resid  215 and  name O    )(resid  219 and  name HN   ) 1.8 0.3 0.5
assign (resid  216 and  name O    )(resid  220 and  name N    ) 2.8 0.4 0.5
assign (resid  216 and  name O    )(resid  220 and  name HN   ) 1.8 0.3 0.5


!! NOE restraints between calmodulin and peptide
assign (resid  215 and  name HD2# )(resid   85 and  name HG1# ) 4.0 4.2 3.0 ! !#
assign (resid  215 and  name HD2# )(resid   85 and  name HD#  ) 4.0 4.7 3.5 ! !#
! NOEs for MET CH3
assign (resid  204 and  name HA   )(resid  109 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid  207 and  name HA   )(resid  109 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid  207 and  name HB#  )(resid  109 and  name HE#  ) 4.0 4.7 3.5 ! !#
assign (resid  204 and  name HD1  )(resid  109 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid  204 and  name HD1  )(resid  124 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid  204 and  name HZ2  )(resid  124 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid  204 and  name HH2  )(resid  124 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid  204 and  name HA   )(resid  124 and  name HE#  ) 3.0 2.7 1.8 !#
assign (resid  202 and  name HA   )(resid  124 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid  204 and  name HD1  )(resid  145 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid  204 and  name HZ3  )(resid  145 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid  204 and  name HE3  )(resid  145 and  name HE#  ) 3.0 2.7 1.8 !#
assign (resid  204 and  name HA   )(resid  145 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid  205 and  name HA   )(resid  145 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid  204 and  name HB#  )(resid  145 and  name HE#  ) 3.0 3.7 2.8 ! !#
assign (resid  208 and  name HB#  )(resid  145 and  name HE#  ) 4.0 3.7 3.5 ! !#
assign (resid  208 and  name HD#  )(resid  145 and  name HE#  ) 4.0 3.7 3.5 ! !#
assign (resid  204 and  name HD1  )(resid  144 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid  204 and  name HE3  )(resid  144 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid  204 and  name HZ2  )(resid  144 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid  204 and  name HA   )(resid  144 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid  217 and  name HD#  )(resid   36 and  name HE#  ) 3.0 4.7 3.8 ! !#
assign (resid  217 and  name HA   )(resid   36 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid  217 and  name HB#  )(resid   36 and  name HE#  ) 3.0 3.7 2.8 ! !#
assign (resid  218 and  name HA   )(resid   36 and  name HE#  ) 3.0 2.7 1.8 !#
assign (resid  218 and  name HB#  )(resid   36 and  name HE#  ) 3.0 3.7 2.8 ! !#
assign (resid  214 and  name HA   )(resid   36 and  name HE#  ) 3.0 2.7 1.8 !#
assign (resid  214 and  name HB#  )(resid   36 and  name HE#  ) 3.0 4.2 3.3 ! !#
assign (resid  217 and  name HD#  )(resid   51 and  name HE#  ) 4.0 5.7 4.5 ! !#
assign (resid  217 and  name HB#  )(resid   51 and  name HE#  ) 4.0 4.7 3.5 ! !#
assign (resid  218 and  name HA   )(resid   51 and  name HE#  ) 2.5 2.2 1.7 !#
assign (resid  221 and  name HB#  )(resid   51 and  name HE#  ) 3.0 3.7 2.8 ! !#
assign (resid  220 and  name HA   )(resid   71 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid  220 and  name HD#  )(resid   71 and  name HE#  ) 3.0 4.2 3.3 ! !#
assign (resid  213 and  name HA   )(resid   72 and  name HE#  ) 4.0 3.7 2.5 !#
assign (resid  212 and  name HB#  )(resid   72 and  name HE#  ) 4.0 4.7 3.5 ! !#
assign (resid  213 and  name HB#  )(resid   72 and  name HE#  ) 4.0 5.2 4.0 ! !#
assign (resid  209 and  name HG2# )(resid   72 and  name HE#  ) 3.0 4.2 3.3 ! !#
assign (resid  209 and  name HD#  )(resid   72 and  name HE#  ) 4.0 5.2 4.0 ! !#
! Inter-molecular NOEs
assign (resid  204 and  name HH2  )(resid  100 and  name HD#  ) 4.0 3.7 2.5 !#
assign (resid  204 and  name HZ2  )(resid  100 and  name HD#  ) 3.0 2.7 1.8 !#
assign (resid  204 and  name HZ3  )(resid  105 and  name HD#  ) 3.0 3.6 2.7 !#
assign (resid  204 and  name HH2  )(resid  105 and  name HD#  ) 3.0 3.6 2.7 !#
assign (resid  204 and  name HZ2  )(resid  105 and  name HD#  ) 3.0 3.6 2.7 !#
assign (resid  204 and  name HE3  )(resid  105 and  name HD#  ) 4.0 4.6 3.4 !#
assign (resid  204 and  name HZ3  )(resid  100 and  name HD#  ) 4.0 3.7 2.5 !#
assign (resid  204 and  name HH2  )(resid  100 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid  204 and  name HZ3  )(resid  100 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  204 and  name HZ2  )(resid  100 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  204 and  name HZ2  )(resid  125 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid  204 and  name HB#  )(resid  105 and  name HD#  ) 4.0 5.6 4.4 ! !#
assign (resid  204 and  name HE3  )(resid  136 and  name HG*  ) 4.0 4.6 3.4 !#
assign (resid  204 and  name HZ2  )(resid  136 and  name HG*  ) 4.0 4.6 3.4 !#
assign (resid  204 and  name HH2  )(resid  136 and  name HG*  ) 4.0 4.6 3.4 !#
assign (resid  204 and  name HZ3  )(resid  136 and  name HG*  ) 4.0 4.6 3.4 !#
assign (resid  204 and  name HZ2  )(resid  125 and  name HA   ) 3.0 1.2 0.3
assign (resid  204 and  name HH2  )(resid  125 and  name HA   ) 4.0 2.2 1.0
assign (resid  204 and  name HZ2  )(resid  125 and  name HD#  ) 3.0 2.7 1.8 !#
assign (resid  204 and  name HH2  )(resid  125 and  name HD#  ) 3.0 2.7 1.8 !#
assign (resid  204 and  name HZ3  )(resid  125 and  name HD#  ) 4.0 3.7 2.5 !#
assign (resid  204 and  name HZ2  )(resid  121 and  name HG*  ) 3.0 3.6 2.7 !#
assign (resid  204 and  name HH2  )(resid  121 and  name HG*  ) 3.0 3.6 2.7 !#
assign (resid  204 and  name HZ3  )(resid  121 and  name HG*  ) 4.0 4.6 3.4 !#
assign (resid  206 and  name HA   )(resid   15 and  name HB#  ) 3.0 2.7 1.8 !#
assign (resid  207 and  name HA   )(resid  112 and  name HD#  ) 3.0 3.6 2.7 !#
assign (resid  208 and  name HD#  )(resid   85 and  name HG2# ) 4.0 5.7 4.5 ! !#
assign (resid  208 and  name HE#  )(resid   85 and  name HG2# ) 2.5 4.2 3.7 ! !#
assign (resid  208 and  name HZ   )(resid   85 and  name HG2# ) 3.0 2.7 1.8 !#
assign (resid  208 and  name HD#  )(resid   85 and  name HA   ) 4.0 4.2 3.0 !
assign (resid  208 and  name HE#  )(resid   85 and  name HA   ) 2.5 2.7 2.2 !
assign (resid  208 and  name HZ   )(resid   85 and  name HA   ) 3.0 1.2 0.3
assign (resid  208 and  name HD#  )(resid   88 and  name HB#  ) 2.5 4.2 3.7 ! !#
assign (resid  208 and  name HE#  )(resid   88 and  name HB#  ) 2.5 4.2 3.7 ! !#
assign (resid  208 and  name HZ   )(resid   88 and  name HB#  ) 4.0 3.7 2.5 !#
assign (resid  208 and  name HE#  )(resid   85 and  name HG1# ) 3.0 4.2 3.3 ! !#
assign (resid  208 and  name HZ   )(resid   85 and  name HG1# ) 3.0 2.2 1.3 !#
assign (resid  208 and  name HA   )(resid   92 and  name HE#  ) 4.0 4.2 3.0 !#
assign (resid  209 and  name HG2# )(resid   12 and  name HA   ) 3.0 2.7 1.8 !
assign (resid  209 and  name HD#  )(resid   12 and  name HA   ) 3.0 2.7 1.8 !
assign (resid  209 and  name HG2# )(resid   12 and  name HD#  ) 4.0 5.7 4.5 ! !#
assign (resid  209 and  name HG2# )(resid   12 and  name HE#  ) 4.0 5.7 4.5 ! !#
assign (resid  209 and  name HD#  )(resid   11 and  name HB#  ) 3.0 3.7 2.8 ! !#
assign (resid  209 and  name HG2# )(resid   15 and  name HB#  ) 2.5 3.7 3.2 ! !#
assign (resid  209 and  name HD#  )(resid   15 and  name HB#  ) 3.0 4.2 3.3 ! !#
assign (resid  209 and  name HA   )(resid   15 and  name HB#  ) 4.0 3.7 2.5 !#
assign (resid  210 and  name HB#  )(resid   15 and  name HB#  ) 2.5 3.7 3.2 ! !#
assign (resid  210 and  name HA   )(resid   15 and  name HB#  ) 3.0 2.7 1.8 !#
assign (resid  210 and  name HB#  )(resid   15 and  name HA   ) 3.0 2.7 1.8 !
assign (resid  210 and  name HB#  )(resid   19 and  name HE#  ) 4.0 5.7 4.5 ! !#
assign (resid  210 and  name HB#  )(resid  112 and  name HD#  ) 3.0 5.1 4.2 ! !#
assign (resid  211 and  name HG*  )(resid  108 and  name HG*  ) 3.0 6.0 5.1 ! !#
assign (resid  211 and  name HA   )(resid   39 and  name HD#  ) 3.0 3.6 2.7 !#
assign (resid  211 and  name HA   )(resid   92 and  name HE#  ) 4.0 4.2 3.0 !#
assign (resid  211 and  name HG*  )(resid   92 and  name HE#  ) 3.0 5.6 4.7 ! !#
assign (resid  211 and  name HG*  )(resid   92 and  name HZ   ) 4.0 4.6 3.4 !
assign (resid  211 and  name HG*  )(resid   88 and  name HB#  ) 2.5 4.6 4.1 ! !#
assign (resid  211 and  name HG*  )(resid   88 and  name HA   ) 2.5 3.1 2.6 !
assign (resid  211 and  name HA   )(resid   91 and  name HG*  ) 4.0 4.6 3.4 !#
assign (resid  211 and  name HB   )(resid   91 and  name HG*  ) 4.0 4.6 3.4 !#
assign (resid  211 and  name HG*  )(resid   91 and  name HG*  ) 2.5 5.5 5.0 ! !#
assign (resid  211 and  name HG*  )(resid   91 and  name HB   ) 3.0 3.6 2.7 !
assign (resid  212 and  name HA   )(resid   88 and  name HB#  ) 3.0 2.7 1.8 !#
assign (resid  213 and  name HB#  )(resid   27 and  name HG2# ) 2.5 3.7 3.2 ! !#
assign (resid  213 and  name HA   )(resid   27 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  214 and  name HB#  )(resid   27 and  name HD#  ) 2.5 3.7 3.2 ! !#
assign (resid  214 and  name HA   )(resid   32 and  name HD#  ) 4.0 4.6 3.4 !#
assign (resid  214 and  name HB#  )(resid   32 and  name HD#  ) 4.0 6.1 4.9 ! !#
assign (resid  214 and  name HB#  )(resid   39 and  name HD#  ) 2.5 4.6 4.1 ! !#
assign (resid  214 and  name HA   )(resid   19 and  name HE#  ) 3.0 3.2 2.3 !#
assign (resid  214 and  name HB#  )(resid   19 and  name HE#  ) 3.0 4.7 3.8 ! !#
assign (resid  214 and  name HA   )(resid   19 and  name HZ   ) 4.0 2.2 1.0
assign (resid  214 and  name HB#  )(resid   19 and  name HZ   ) 3.0 2.7 1.8 !
assign (resid  217 and  name HD#  )(resid   32 and  name HD#  ) 3.0 5.6 4.7 ! !#
assign (resid  217 and  name HE#  )(resid   32 and  name HD#  ) 3.0 5.6 4.7 ! !#
assign (resid  217 and  name HE#  )(resid   27 and  name HG#  ) 2.5 3.7 3.2 ! !#
assign (resid  217 and  name HD#  )(resid   27 and  name HG#  ) 3.0 4.2 3.3 ! !#
assign (resid  217 and  name HD#  )(resid   27 and  name HG2# ) 4.0 5.7 4.5 ! !#
assign (resid  217 and  name HE#  )(resid   63 and  name HG2# ) 2.5 4.2 3.7 ! !#
assign (resid  217 and  name HD#  )(resid   27 and  name HG2# ) 3.0 4.7 3.8 ! !#
assign (resid  217 and  name HE#  )(resid   27 and  name HG2# ) 2.5 4.2 3.7 ! !#
assign (resid  217 and  name HA   )(resid   32 and  name HD#  ) 4.0 4.6 3.4 !#
assign (resid  217 and  name HA   )(resid   27 and  name HG2# ) 4.0 3.7 2.5 !#
assign (resid  217 and  name HE#  )(resid   63 and  name HD#  ) 2.5 4.2 3.7 ! !#
assign (resid  217 and  name HE#  )(resid   63 and  name HG1# ) 3.0 4.2 3.3 ! !#
assign (resid  217 and  name HD#  )(resid   55 and  name HG*  ) 2.5 5.1 4.6 ! !#
assign (resid  217 and  name HE#  )(resid   55 and  name HG*  ) 2.5 5.1 4.6 ! !#
assign (resid  217 and  name HZ   )(resid   55 and  name HG*  ) 4.0 4.6 3.4 !#
assign (resid  217 and  name HE#  )(resid   52 and  name HG2# ) 4.0 5.7 4.5 ! !#
assign (resid  217 and  name HE#  )(resid   52 and  name HD#  ) 3.0 4.7 3.8 ! !#
assign (resid  220 and  name HD#  )(resid   55 and  name HG*  ) 3.0 5.1 4.2 ! !#

!!restraints for 4 Ca2+ ions
! contraints for Ca2+ (resid 181 182 183 184)
! site I
assign (resid   20 and  name OD2  )(resid  181 and  name MN   ) 2.5 1.3 0.8 !#
assign (resid   22 and  name OD1  )(resid  181 and  name MN   ) 2.5 1.3 0.8 !#
assign (resid   24 and  name OD2  )(resid  181 and  name MN   ) 2.5 1.3 0.8 !#
assign (resid   26 and  name O    )(resid  181 and  name MN   ) 2.5 1.3 0.8 !#
assign (resid   31 and  name OE1  )(resid  181 and  name MN   ) 2.5 1.3 0.8 !#
assign (resid   31 and  name OE2  )(resid  181 and  name MN   ) 2.5 1.3 0.8 !#
! site II
assign (resid   56 and  name OD2  )(resid  182 and  name MN   ) 2.5 1.3 0.8 !#
assign (resid   58 and  name OD2  )(resid  182 and  name MN   ) 2.5 1.3 0.8 !#
assign (resid   60 and  name OD1  )(resid  182 and  name MN   ) 2.5 1.3 0.8 !#
assign (resid   62 and  name O    )(resid  182 and  name MN   ) 2.5 1.3 0.8 !#
assign (resid   67 and  name OE1  )(resid  182 and  name MN   ) 2.5 1.3 0.8 !#
assign (resid   67 and  name OE2  )(resid  182 and  name MN   ) 2.5 1.3 0.8 !#
! site III
assign (resid   93 and  name OD2  )(resid  183 and  name MN   ) 2.5 1.3 0.8 !#
assign (resid   95 and  name OD2  )(resid  183 and  name MN   ) 2.5 1.3 0.8 !#
assign (resid   97 and  name OD1  )(resid  183 and  name MN   ) 2.5 1.3 0.8 !#
assign (resid   99 and  name O    )(resid  183 and  name MN   ) 2.5 1.3 0.8 !#
assign (resid  104 and  name OE1  )(resid  183 and  name MN   ) 2.5 1.3 0.8 !#
assign (resid  104 and  name OE2  )(resid  183 and  name MN   ) 2.5 1.3 0.8 !#
! site IV
assign (resid  129 and  name OD2  )(resid  184 and  name MN   ) 2.5 1.3 0.8 !#
assign (resid  131 and  name OD2  )(resid  184 and  name MN   ) 2.5 1.3 0.8 !#
assign (resid  133 and  name OD2  )(resid  184 and  name MN   ) 2.5 1.3 0.8 !#
assign (resid  135 and  name O    )(resid  184 and  name MN   ) 2.5 1.3 0.8 !#
assign (resid  140 and  name OE1  )(resid  184 and  name MN   ) 2.5 1.3 0.8 !#
assign (resid  140 and  name OE2  )(resid  184 and  name MN   ) 2.5 1.3 0.8 !#



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 minimum deviation = 30 degrees
cons dihedral reset
!!Q3
!assign (resid 2 and name c) (resid 3 and name n)
!       (resid 3 and name ca) (resid 3 and name c)  1.0  -60.0 50.0 2
!!E6
!assign (resid 5 and name c) (resid 6 and name n)
!       (resid 6 and name ca) (resid 6 and name c)  1.0  -60.0 80.0 2
!!E7
assign (resid 6 and name c) (resid 7 and name n)
       (resid 7 and name ca) (resid 7 and name c)  1.0  -60.0 60.0 2
!!Q8
assign (resid 7 and name c) (resid 8 and name n)
       (resid 8 and name ca) (resid 8 and name c)  1.0  -60.0 50.0 2
!!I9
assign (resid 8 and name c) (resid 9 and name n)
       (resid 9 and name ca) (resid 9 and name c)  1.0  -60.0 50.0 2
!!A10
assign (resid 9 and name c) (resid 10 and name n)
       (resid 10 and name ca) (resid 10 and name c)  1.0  -60.0 50.0 2
!!E11
assign (resid 10 and name c) (resid 11 and name n)
       (resid 11 and name ca) (resid 11 and name c)  1.0  -60.0 50.0 2
!!F12
assign (resid 11 and name c) (resid 12 and name n)
       (resid 12 and name ca) (resid 12 and name c)  1.0  -60.0 50.0 2
!!K13
assign (resid 12 and name c) (resid 13 and name n)
       (resid 13 and name ca) (resid 13 and name c)  1.0  -60.0 50.0 2
!!E14
assign (resid 13 and name c) (resid 14 and name n)
       (resid 14 and name ca) (resid 14 and name c)  1.0  -60.0 50.0 2
!!A15
assign (resid 14 and name c) (resid 15 and name n)
       (resid 15 and name ca) (resid 15 and name c)  1.0  -60.0 50.0 2
!!F16
assign (resid 15 and name c) (resid 16 and name n)
       (resid 16 and name ca) (resid 16 and name c)  1.0  -60.0 50.0 2
!!S17
assign (resid 16 and name c) (resid 17 and name n)
       (resid 17 and name ca) (resid 17 and name c)  1.0  -60.0 50.0 2
!!K21
assign (resid 20 and name c) (resid 21 and name n)
       (resid 21 and name ca) (resid 21 and name c)  1.0  -60.0 50.0 2
!!D22
assign (resid 21 and name c) (resid 22 and name n)
       (resid 22 and name ca) (resid 22 and name c)  1.0  -120.0 50.0 2
!!T26
assign (resid 25 and name c) (resid 26 and name n)
       (resid 26 and name ca) (resid 26 and name c)  1.0  -120.0 50.0 2
!!I27
assign (resid 26 and name c) (resid 27 and name n)
       (resid 27 and name ca) (resid 27 and name c)  1.0  -120.0 50.0 2
!!T28
assign (resid 27 and name c) (resid 28 and name n)
       (resid 28 and name ca) (resid 28 and name c)  1.0  -120.0 50.0 2
!!T29
assign (resid 28 and name c) (resid 29 and name n)
       (resid 29 and name ca) (resid 29 and name c)  1.0  -60.0 50.0 2
!!E31
assign (resid 30 and name c) (resid 31 and name n)
       (resid 31 and name ca) (resid 31 and name c)  1.0  -60.0 50.0 2
!!L32
assign (resid 31 and name c) (resid 32 and name n)
       (resid 32 and name ca) (resid 32 and name c)  1.0  -60.0 50.0 2
!!G33
!assign (resid 32 and name c) (resid 33 and name n)
!       (resid 33 and name ca) (resid 33 and name c)  1.0  -60.0 50.0 2
!!T34
assign (resid 33 and name c) (resid 34 and name n)
       (resid 34 and name ca) (resid 34 and name c)  1.0  -60.0 50.0 2
!!V35
assign (resid 34 and name c) (resid 35 and name n)
       (resid 35 and name ca) (resid 35 and name c)  1.0  -60.0 50.0 2
!!M36
assign (resid 35 and name c) (resid 36 and name n)
       (resid 36 and name ca) (resid 36 and name c)  1.0  -60.0 50.0 2
!!R37
assign (resid 36 and name c) (resid 37 and name n)
       (resid 37 and name ca) (resid 37 and name c)  1.0  -60.0 50.0 2
!!S38
assign (resid 37 and name c) (resid 38 and name n)
       (resid 38 and name ca) (resid 38 and name c)  1.0  -60.0 50.0 2
!!L39
assign (resid 38 and name c) (resid 39 and name n)
       (resid 39 and name ca) (resid 39 and name c)  1.0  -120.0 60.0 2
!!Q41
!assign (resid 40 and name c) (resid 41 and name n)
!       (resid 41 and name ca) (resid 41 and name c)  1.0  -120.0 60.0 2
!!E45
assign (resid 44 and name c) (resid 45 and name n)
       (resid 45 and name ca) (resid 45 and name c)  1.0  -60.0 80.0 2
!!A46
assign (resid 45 and name c) (resid 46 and name n)
       (resid 46 and name ca) (resid 46 and name c)  1.0  -60.0 60.0 2
!!E47
assign (resid 46 and name c) (resid 47 and name n)
       (resid 47 and name ca) (resid 47 and name c)  1.0  -60.0 50.0 2
!!L48
assign (resid 47 and name c) (resid 48 and name n)
       (resid 48 and name ca) (resid 48 and name c)  1.0  -60.0 50.0 2
!!Q49
assign (resid 48 and name c) (resid 49 and name n)
       (resid 49 and name ca) (resid 49 and name c)  1.0  -60.0 50.0 2
!!D50
assign (resid 49 and name c) (resid 50 and name n)
       (resid 50 and name ca) (resid 50 and name c)  1.0  -60.0 50.0 2
!!M51
assign (resid 50 and name c) (resid 51 and name n)
       (resid 51 and name ca) (resid 51 and name c)  1.0  -60.0 50.0 2
!!N53
assign (resid 52 and name c) (resid 53 and name n)
       (resid 53 and name ca) (resid 53 and name c)  1.0  -60.0 50.0 2
!!E54
assign (resid 53 and name c) (resid 54 and name n)
       (resid 54 and name ca) (resid 54 and name c)  1.0  -60.0 50.0 2
!!V55
assign (resid 54 and name c) (resid 55 and name n)
       (resid 55 and name ca) (resid 55 and name c)  1.0  -120.0 60.0 2
!!D56
assign (resid 55 and name c) (resid 56 and name n)
       (resid 56 and name ca) (resid 56 and name c)  1.0  -60.0 50.0 2
!!A57
assign (resid 56 and name c) (resid 57 and name n)
       (resid 57 and name ca) (resid 57 and name c)  1.0  -60.0 50.0 2
!!D58
assign (resid 57 and name c) (resid 58 and name n)
       (resid 58 and name ca) (resid 58 and name c)  1.0  -120.0 60.0 2
!!N60
assign (resid 59 and name c) (resid 60 and name n)
       (resid 60 and name ca) (resid 60 and name c)  1.0  -60.0 50.0 2
!!T62
assign (resid 61 and name c) (resid 62 and name n)
       (resid 62 and name ca) (resid 62 and name c)  1.0  -120.0 50.0 2
!!I63
assign (resid 62 and name c) (resid 63 and name n)
       (resid 63 and name ca) (resid 63 and name c)  1.0  -120.0 50.0 2
!!D64
assign (resid 63 and name c) (resid 64 and name n)
       (resid 64 and name ca) (resid 64 and name c)  1.0  -120.0 50.0 2
!!F65
assign (resid 64 and name c) (resid 65 and name n)
       (resid 65 and name ca) (resid 65 and name c)  1.0  -60.0 50.0 2
!!F68
assign (resid 67 and name c) (resid 68 and name n)
       (resid 68 and name ca) (resid 68 and name c)  1.0  -60.0 50.0 2
!!L69
assign (resid 68 and name c) (resid 69 and name n)
       (resid 69 and name ca) (resid 69 and name c)  1.0  -60.0 50.0 2
!!T70
assign (resid 69 and name c) (resid 70 and name n)
       (resid 70 and name ca) (resid 70 and name c)  1.0  -60.0 50.0 2
!!M71
assign (resid 70 and name c) (resid 71 and name n)
       (resid 71 and name ca) (resid 71 and name c)  1.0  -60.0 50.0 2
!!M72
assign (resid 71 and name c) (resid 72 and name n)
       (resid 72 and name ca) (resid 72 and name c)  1.0  -60.0 50.0 2
!!A73
assign (resid 72 and name c) (resid 73 and name n)
       (resid 73 and name ca) (resid 73 and name c)  1.0  -60.0 60.0 2  !30.0 2
!!R74
assign (resid 73 and name c) (resid 74 and name n)
       (resid 74 and name ca) (resid 74 and name c)  1.0  -105.0 80.0 2
!!K75
!assign (resid 74 and name c) (resid 75 and name n)
!       (resid 75 and name ca) (resid 75 and name c)  1.0  -60.0 35.0 2
!!M76
!assign (resid 75 and name c) (resid 76 and name n)
!       (resid 76 and name ca) (resid 76 and name c)  1.0  -80.0 75.0 2
!!K77
!assign (resid 76 and name c) (resid 77 and name n)
!       (resid 77 and name ca) (resid 77 and name c)  1.0  -65.0 60.0 2  !30.0 2
!!
!T79
!assign (resid 78 and name c) (resid 79 and name n)
!       (resid 79 and name ca) (resid 79 and name c)  1.0  -85.0 90.0 2 !60.0 2  !30.0 2
!!D80
!assign (resid 79 and name c) (resid 80 and name n)
!       (resid 80 and name ca) (resid 80 and name c)  1.0  -80.0 120.0 2 !90.0 2 !60.0 2  !30.0 2
!!S81
!assign (resid 80 and name c) (resid 81 and name n)
!       (resid 81 and name ca) (resid 81 and name c)  1.0  -80.0 75.0 2
!!E82
!assign (resid 81 and name c) (resid 82 and name n)
!       (resid 82 and name ca) (resid 82 and name c)  1.0  -60.0 80.0 2
!!E83
assign (resid 82 and name c) (resid 83 and name n)
       (resid 83 and name ca) (resid 83 and name c)  1.0  -60.0 80.0 2
!!E84
assign (resid 83 and name c) (resid 84 and name n)
       (resid 84 and name ca) (resid 84 and name c)  1.0  -65.0 30.0 2
!!I85
assign (resid 84 and name c) (resid 85 and name n)
       (resid 85 and name ca) (resid 85 and name c)  1.0  -65.0 30.0 2
!!R86
assign (resid 85 and name c) (resid 86 and name n)
       (resid 86 and name ca) (resid 86 and name c)  1.0  -60.0 30.0 2
!!E87
assign (resid 86 and name c) (resid 87 and name n)
       (resid 87 and name ca) (resid 87 and name c)  1.0  -100.0 80.0 2
!!A88
assign (resid 87 and name c) (resid 88 and name n)
       (resid 88 and name ca) (resid 88 and name c)  1.0  -40.0 35.0 2
!!F89
assign (resid 88 and name c) (resid 89 and name n)
       (resid 89 and name ca) (resid 89 and name c)  1.0  -60.0 50.0 2
!!R90
assign (resid 89 and name c) (resid 90 and name n)
       (resid 90 and name ca) (resid 90 and name c)  1.0  -80.0 50.0 2
!!V91
assign (resid 90 and name c) (resid 91 and name n)
       (resid 91 and name ca) (resid 91 and name c)  1.0  -75.0 50.0 2
!!F92
assign (resid 91 and name c) (resid 92 and name n)
       (resid 92 and name ca) (resid 92 and name c)  1.0  -100.0 90.0 2
!!K94
assign (resid 93 and name c) (resid 94 and name n)
       (resid 94 and name ca) (resid 94 and name c)  1.0  -60.0 50.0 2
!!D95
assign (resid 94 and name c) (resid 95 and name n)
       (resid 95 and name ca) (resid 95 and name c)  1.0  -100.0 50.0 2
!!N97
assign (resid 96 and name c) (resid 97 and name n)
       (resid 97 and name ca) (resid 97 and name c)  1.0  -120.0 50.0 2
!!F99
assign (resid 98 and name c) (resid 99 and name n)
       (resid 99 and name ca) (resid 99 and name c)  1.0  -120.0 80.0 2
!!I100
assign (resid 99 and name c) (resid 100 and name n)
       (resid 100 and name ca) (resid 100 and name c)  1.0  -120.0 50.0 2
!!A102
assign (resid 101 and name c) (resid 102 and name n)
       (resid 102 and name ca) (resid 102 and name c)  1.0  -60.0 50.0 2
!!A103
assign (resid 102 and name c) (resid 103 and name n)
       (resid 103 and name ca) (resid 103 and name c)  1.0  -60.0 50.0 2
!!E104
assign (resid 103 and name c) (resid 104 and name n)
       (resid 104 and name ca) (resid 104 and name c)  1.0  -60.0 50.0 2
!!L105
assign (resid 104 and name c) (resid 105 and name n)
       (resid 105 and name ca) (resid 105 and name c)  1.0  -60.0 50.0 2
!!R106
assign (resid 105 and name c) (resid 106 and name n)
       (resid 106 and name ca) (resid 106 and name c)  1.0  -60.0 50.0 2
!!V108
assign (resid 107 and name c) (resid 108 and name n)
       (resid 108 and name ca) (resid 108 and name c)  1.0  -60.0 50.0 2
!!M109
assign (resid 108 and name c) (resid 109 and name n)
       (resid 109 and name ca) (resid 109 and name c)  1.0  -60.0 50.0 2
!!T110
assign (resid 109 and name c) (resid 110 and name n)
       (resid 110 and name ca) (resid 110 and name c)  1.0  -60.0 50.0 2
!!N111
assign (resid 110 and name c) (resid 111 and name n)
       (resid 111 and name ca) (resid 111 and name c)  1.0  -60.0 50.0 2
!!L112
assign (resid 111 and name c) (resid 112 and name n)
       (resid 112 and name ca) (resid 112 and name c)  1.0  -60.0 50.0 2
!!E119
assign (resid 118 and name c) (resid 119 and name n)
       (resid 119 and name ca) (resid 119 and name c)  1.0  -60.0 50.0 2
!!E120
assign (resid 119 and name c) (resid 120 and name n)
       (resid 120 and name ca) (resid 120 and name c)  1.0  -60.0 50.0 2
!!D122
assign (resid 121 and name c) (resid 122 and name n)
       (resid 122 and name ca) (resid 122 and name c)  1.0  -60.0 50.0 2
!!E123
assign (resid 122 and name c) (resid 123 and name n)
       (resid 123 and name ca) (resid 123 and name c)  1.0  -60.0 50.0 2
!!M124
assign (resid 123 and name c) (resid 124 and name n)
       (resid 124 and name ca) (resid 124 and name c)  1.0  -60.0 50.0 2
!!I125
assign (resid 124 and name c) (resid 125 and name n)
       (resid 125 and name ca) (resid 125 and name c)  1.0  -60.0 50.0 2
!!R126
assign (resid 125 and name c) (resid 126 and name n)
       (resid 126 and name ca) (resid 126 and name c)  1.0  -60.0 50.0 2
!!E127
assign (resid 126 and name c) (resid 127 and name n)
       (resid 127 and name ca) (resid 127 and name c)  1.0  -60.0 50.0 2
!!A128 ***
assign (resid 127 and name c) (resid 128 and name n)
       (resid 128 and name ca) (resid 128 and name c)  1.0  -60.0 50.0 2
!!D129 ***
assign (resid 128 and name c) (resid 129 and name n)
       (resid 129 and name ca) (resid 129 and name c)  1.0  -60.0 50.0 2
!!I130 ***
assign (resid 129 and name c) (resid 130 and name n)
       (resid 130 and name ca) (resid 130 and name c)  1.0  -60.0 50.0 2
!!D131
assign (resid 130 and name c) (resid 131 and name n)
       (resid 131 and name ca) (resid 131 and name c)  1.0  -100.0 50.0 2
!!Q135
assign (resid 134 and name c) (resid 135 and name n)
       (resid 135 and name ca) (resid 135 and name c)  1.0  -120.0 50.0 2
!!V136
assign (resid 135 and name c) (resid 136 and name n)
       (resid 136 and name ca) (resid 136 and name c)  1.0  -120.0 50.0 2
!!N137
assign (resid 136 and name c) (resid 137 and name n)
       (resid 137 and name ca) (resid 137 and name c)  1.0  -120.0 50.0 2
!!Y138
assign (resid 137 and name c) (resid 138 and name n)
       (resid 138 and name ca) (resid 138 and name c)  1.0  -60.0 50.0 2
!!E139
assign (resid 138 and name c) (resid 139 and name n)
       (resid 139 and name ca) (resid 139 and name c)  1.0  -60.0 50.0 2
!!E140
assign (resid 139 and name c) (resid 140 and name n)
       (resid 140 and name ca) (resid 140 and name c)  1.0  -60.0 50.0 2
!!F141
assign (resid 140 and name c) (resid 141 and name n)
       (resid 141 and name ca) (resid 141 and name c)  1.0  -60.0 50.0 2
!!V142
assign (resid 141 and name c) (resid 142 and name n)
       (resid 142 and name ca) (resid 142 and name c)  1.0  -60.0 50.0 2
!!T143
assign (resid 142 and name c) (resid 143 and name n)
       (resid 143 and name ca) (resid 143 and name c)  1.0  -60.0 50.0 2
!!M144
assign (resid 143 and name c) (resid 144 and name n)
       (resid 144 and name ca) (resid 144 and name c)  1.0  -60.0 100.0 2
!!
!!  M13 peptide
!! W4
!assign (resid 203 and name c) (resid 204 and name n)
!       (resid 204 and name ca) (resid 204 and name c)  1.0  -60.0 100.0 2
!! K5
assign (resid 204 and name c) (resid 205 and name n)
       (resid 205 and name ca) (resid 205 and name c)  1.0  -60.0 80.0 2
!! K6
assign (resid 205 and name c) (resid 206 and name n)
       (resid 206 and name ca) (resid 206 and name c)  1.0  -60.0 50.0 2
!! N7
assign (resid 206 and name c) (resid 207 and name n)
       (resid 207 and name ca) (resid 207 and name c)  1.0  -60.0 50.0 2
!! F8
assign (resid 207 and name c) (resid 208 and name n)
       (resid 208 and name ca) (resid 208 and name c)  1.0  -60.0 50.0 2
!! I9
assign (resid 208 and name c) (resid 209 and name n)
       (resid 209 and name ca) (resid 209 and name c)  1.0  -60.0 50.0 2
!! A10
assign (resid 209 and name c) (resid 210 and name n)
       (resid 210 and name ca) (resid 210 and name c)  1.0  -60.0 50.0 2
!! V11
assign (resid 210 and name c) (resid 211 and name n)
       (resid 211 and name ca) (resid 211 and name c)  1.0  -60.0 50.0 2
!! S12
assign (resid 211 and name c) (resid 212 and name n)
       (resid 212 and name ca) (resid 212 and name c)  1.0  -60.0 50.0 2
!! A13
assign (resid 212 and name c) (resid 213 and name n)
       (resid 213 and name ca) (resid 213 and name c)  1.0  -60.0 50.0 2
!! A14
assign (resid 213 and name c) (resid 214 and name n)
       (resid 214 and name ca) (resid 214 and name c)  1.0  -60.0 50.0 2
!! K15
assign (resid 214 and name c) (resid 215 and name n)
       (resid 215 and name ca) (resid 215 and name c)  1.0  -60.0 50.0 2
!! R16
assign (resid 215 and name c) (resid 216 and name n)
       (resid 216 and name ca) (resid 216 and name c)  1.0  -60.0 50.0 2
!! F17
assign (resid 216 and name c) (resid 217 and name n)
       (resid 217 and name ca) (resid 217 and name c)  1.0  -60.0 50.0 2
!! K18
assign (resid 217 and name c) (resid 218 and name n)
       (resid 218 and name ca) (resid 218 and name c)  1.0  -60.0 50.0 2
!! K19
assign (resid 218 and name c) (resid 219 and name n)
       (resid 219 and name ca) (resid 219 and name c)  1.0  -60.0 50.0 2
!! I20
assign (resid 219 and name c) (resid 220 and name n)
       (resid 220 and name ca) (resid 220 and name c)  1.0  -60.0 80.0 2
!! S21
!assign (resid 220 and name c) (resid 221 and name n)
!       (resid 221 and name ca) (resid 221 and name c)  1.0  -60.0 100.0 2
!!



  Entry H atom name         Orig H atom name
  Start of MODEL           1
 Raw file had *** H/Q atoms
  Start of MODEL     
    1   1H    ALA   1           HT1      ALA   1   4.076  29.053  -3.002
    2   2H    ALA   1           HT2      ALA   1   4.398  30.505  -3.822
    3   3H    ALA   1           HT3      ALA   1   2.942  30.318  -2.968
    4    HA   ALA   1           HA       ALA   1   2.108  29.841  -4.979
    5   1HB   ALA   1           HB1      ALA   1   4.645  28.561  -5.965
    6   2HB   ALA   1           HB2      ALA   1   4.500  30.316  -5.926
    7   3HB   ALA   1           HB3      ALA   1   3.379  29.360  -6.891
    8    H    ASP   2           HN       ASP   2   4.544  27.387  -4.129
    9    HA   ASP   2           HA       ASP   2   2.345  25.352  -4.129
   10   1HB   ASP   2           HB1      ASP   2   3.994  23.697  -4.829
   11   2HB   ASP   2           HB2      ASP   2   5.277  24.903  -4.742
   12    H    GLN   3           HN       GLN   3   4.671  26.952  -2.294
   13    HA   GLN   3           HA       GLN   3   5.491  24.964  -0.435
   14   1HB   GLN   3           HB1      GLN   3   6.011  26.755   1.078
   15   2HB   GLN   3           HB2      GLN   3   4.841  27.812   0.317
   16   1HG   GLN   3           HG1      GLN   3   6.478  27.203  -1.823
   17   2HG   GLN   3           HG2      GLN   3   7.625  27.169  -0.496
   18   1HE2  GLN   3          HE21      GLN   3   8.373  29.172  -1.882
   19   2HE2  GLN   3          HE22      GLN   3   7.719  30.674  -1.436
   20    H    LEU   4           HN       LEU   4   2.479  26.428  -0.986
   21    HA   LEU   4           HA       LEU   4   1.408  25.806   1.684
   22   1HB   LEU   4           HB1      LEU   4  -0.704  26.751   0.770
   23   2HB   LEU   4           HB2      LEU   4   0.069  26.918  -0.800
   24    HG   LEU   4           HG       LEU   4   1.505  28.115   1.538
   25   1HD1  LEU   4          HD11      LEU   4   2.030  28.141  -1.080
   26   2HD1  LEU   4          HD12      LEU   4   2.370  29.545  -0.080
   27   3HD1  LEU   4          HD13      LEU   4   0.909  29.494  -1.058
   28   1HD2  LEU   4          HD21      LEU   4   0.095  30.154   1.418
   29   2HD2  LEU   4          HD22      LEU   4  -0.837  28.764   1.969
   30   3HD2  LEU   4          HD23      LEU   4  -0.993  29.328   0.308
   31    H    THR   5           HN       THR   5   2.230  23.879  -0.702
   32    HA   THR   5           HA       THR   5  -0.285  22.361  -0.932
   33    HB   THR   5           HB       THR   5   1.106  20.828  -2.396
   34    HG1  THR   5           HG1      THR   5   2.985  22.545  -1.228
   35   1HG2  THR   5          HG21      THR   5   1.055  23.809  -2.848
   36   2HG2  THR   5          HG22      THR   5   0.226  22.550  -3.756
   37   3HG2  THR   5          HG23      THR   5   1.958  22.789  -3.962
   38    H    GLU   6           HN       GLU   6   2.892  20.923  -0.441
   39    HA   GLU   6           HA       GLU   6   3.506  19.163   0.996
   40   1HB   GLU   6           HB1      GLU   6   2.995  19.703   3.428
   41   2HB   GLU   6           HB2      GLU   6   2.110  21.108   2.845
   42   1HG   GLU   6           HG1      GLU   6   4.097  22.044   1.840
   43   2HG   GLU   6           HG2      GLU   6   5.003  20.556   2.100
   44    H    GLU   7           HN       GLU   7   0.574  19.308  -0.136
   45    HA   GLU   7           HA       GLU   7  -0.958  17.765   1.745
   46   1HB   GLU   7           HB1      GLU   7  -2.208  17.250  -0.588
   47   2HB   GLU   7           HB2      GLU   7  -1.281  18.664  -1.071
   48   1HG   GLU   7           HG1      GLU   7  -2.230  19.962   0.789
   49   2HG   GLU   7           HG2      GLU   7  -3.101  18.543   1.365
   50    H    GLN   8           HN       GLN   8   0.554  16.936  -1.362
   51    HA   GLN   8           HA       GLN   8   0.188  14.114  -1.100
   52   1HB   GLN   8           HB1      GLN   8   1.958  13.947  -2.836
   53   2HB   GLN   8           HB2      GLN   8   2.317  15.656  -2.613
   54   1HG   GLN   8           HG1      GLN   8   0.197  16.326  -3.458
   55   2HG   GLN   8           HG2      GLN   8  -0.480  14.711  -3.273
   56   1HE2  GLN   8          HE21      GLN   8   0.465  16.756  -5.638
   57   2HE2  GLN   8          HE22      GLN   8   1.043  15.653  -6.791
   58    H    ILE   9           HN       ILE   9   2.998  16.176  -0.431
   59    HA   ILE   9           HA       ILE   9   4.790  14.281   0.531
   60    HB   ILE   9           HB       ILE   9   4.313  17.010   1.761
   61   1HG1  ILE   9          HG11      ILE   9   4.517  17.057  -0.740
   62   2HG1  ILE   9          HG12      ILE   9   6.055  16.221  -0.608
   63   1HG2  ILE   9          HG21      ILE   9   6.981  15.633   1.447
   64   2HG2  ILE   9          HG22      ILE   9   5.956  15.235   2.818
   65   3HG2  ILE   9          HG23      ILE   9   6.514  16.885   2.591
   66   1HD1  ILE   9          HD11      ILE   9   7.150  18.124  -0.013
   67   2HD1  ILE   9          HD12      ILE   9   5.894  18.592   1.126
   68   3HD1  ILE   9          HD13      ILE   9   5.719  18.975  -0.581
   69    H    ALA  10           HN       ALA  10   2.201  15.912   2.299
   70    HA   ALA  10           HA       ALA  10   2.665  14.674   4.807
   71   1HB   ALA  10           HB1      ALA  10   1.215  16.432   5.063
   72   2HB   ALA  10           HB2      ALA  10   0.025  15.139   4.935
   73   3HB   ALA  10           HB3      ALA  10   0.411  16.123   3.527
   74    H    GLU  11           HN       GLU  11   0.858  13.632   1.977
   75    HA   GLU  11           HA       GLU  11  -0.520  11.465   3.249
   76   1HB   GLU  11           HB1      GLU  11  -0.152  10.643   0.625
   77   2HB   GLU  11           HB2      GLU  11  -0.084  12.400   0.514
   78   1HG   GLU  11           HG1      GLU  11  -2.217  12.561   1.776
   79   2HG   GLU  11           HG2      GLU  11  -2.288  10.804   1.882
   80    H    PHE  12           HN       PHE  12   2.443  11.383   1.212
   81    HA   PHE  12           HA       PHE  12   3.057   8.655   1.616
   82   1HB   PHE  12           HB1      PHE  12   5.433   9.264   1.248
   83   2HB   PHE  12           HB2      PHE  12   5.039  10.957   1.505
   84    HD1  PHE  12           HD2      PHE  12   3.602   8.154  -0.579
   85    HD2  PHE  12           HD1      PHE  12   4.976  12.189  -0.468
   86    HE1  PHE  12           HE2      PHE  12   3.066   8.414  -2.959
   87    HE2  PHE  12           HE1      PHE  12   4.438  12.434  -2.848
   88    HZ   PHE  12           HZ       PHE  12   3.488  10.547  -4.095
   89    H    LYS  13           HN       LYS  13   4.078  11.470   3.458
   90    HA   LYS  13           HA       LYS  13   5.585  10.373   5.484
   91   1HB   LYS  13           HB1      LYS  13   3.527  12.224   6.487
   92   2HB   LYS  13           HB2      LYS  13   4.373  12.793   5.053
   93   1HG   LYS  13           HG1      LYS  13   6.545  12.373   6.180
   94   2HG   LYS  13           HG2      LYS  13   5.684  11.846   7.623
   95   1HD   LYS  13           HD1      LYS  13   4.498  14.132   7.541
   96   2HD   LYS  13           HD2      LYS  13   5.730  14.603   6.377
   97   1HE   LYS  13           HE1      LYS  13   7.244  13.442   8.365
   98   2HE   LYS  13           HE2      LYS  13   5.955  14.205   9.290
   99   1HZ   LYS  13           HZ1      LYS  13   6.546  16.142   7.572
  100   2HZ   LYS  13           HZ2      LYS  13   8.071  15.409   7.720
  101   3HZ   LYS  13           HZ3      LYS  13   7.268  15.990   9.100
  102    H    GLU  14           HN       GLU  14   2.043  10.725   5.655
  103    HA   GLU  14           HA       GLU  14   1.679   9.327   8.075
  104   1HB   GLU  14           HB1      GLU  14  -0.545   8.666   6.511
  105   2HB   GLU  14           HB2      GLU  14   0.005  10.218   5.881
  106   1HG   GLU  14           HG1      GLU  14   0.082  11.093   8.232
  107   2HG   GLU  14           HG2      GLU  14  -0.594   9.564   8.789
  108    H    ALA  15           HN       ALA  15   2.035   8.094   4.791
  109    HA   ALA  15           HA       ALA  15   1.361   5.373   5.369
  110   1HB   ALA  15           HB1      ALA  15   2.292   6.819   3.129
  111   2HB   ALA  15           HB2      ALA  15   1.771   5.139   3.173
  112   3HB   ALA  15           HB3      ALA  15   3.469   5.538   3.403
  113    H    PHE  16           HN       PHE  16   4.357   7.193   5.587
  114    HA   PHE  16           HA       PHE  16   5.992   4.917   6.332
  115   1HB   PHE  16           HB1      PHE  16   7.270   7.162   7.341
  116   2HB   PHE  16           HB2      PHE  16   6.319   7.820   6.015
  117    HD1  PHE  16           HD1      PHE  16   6.338   5.470   4.119
  118    HD2  PHE  16           HD2      PHE  16   9.478   7.165   6.461
  119    HE1  PHE  16           HE1      PHE  16   8.002   4.575   2.558
  120    HE2  PHE  16           HE2      PHE  16  11.122   6.324   4.844
  121    HZ   PHE  16           HZ       PHE  16  10.387   5.025   2.901
  122    H    SER  17           HN       SER  17   4.136   7.332   8.070
  123    HA   SER  17           HA       SER  17   5.117   6.571  10.691
  124   1HB   SER  17           HB1      SER  17   3.242   7.945  11.537
  125   2HB   SER  17           HB2      SER  17   2.557   8.015   9.901
  126    HG   SER  17           HG       SER  17   4.182   9.713  10.708
  127    H    LEU  18           HN       LEU  18   2.782   5.325   8.513
  128    HA   LEU  18           HA       LEU  18   1.421   3.763  10.579
  129   1HB   LEU  18           HB1      LEU  18   1.002   3.948   7.588
  130   2HB   LEU  18           HB2      LEU  18   0.054   4.772   8.817
  131    HG   LEU  18           HG       LEU  18   0.239   1.761   8.428
  132   1HD1  LEU  18          HD11      LEU  18  -1.749   1.990  10.153
  133   2HD1  LEU  18          HD12      LEU  18  -0.951   3.501  10.574
  134   3HD1  LEU  18          HD13      LEU  18  -0.089   1.975  10.739
  135   1HD2  LEU  18          HD21      LEU  18  -1.205   3.471   6.938
  136   2HD2  LEU  18          HD22      LEU  18  -2.304   3.321   8.305
  137   3HD2  LEU  18          HD23      LEU  18  -1.825   1.890   7.401
  138    H    PHE  19           HN       PHE  19   3.418   3.265   7.715
  139    HA   PHE  19           HA       PHE  19   3.499   0.386   7.973
  140   1HB   PHE  19           HB1      PHE  19   5.738   1.767   6.601
  141   2HB   PHE  19           HB2      PHE  19   4.127   2.083   5.965
  142    HD1  PHE  19           HD2      PHE  19   6.101  -0.846   7.231
  143    HD2  PHE  19           HD1      PHE  19   3.359   0.615   4.314
  144    HE1  PHE  19           HE2      PHE  19   6.107  -3.034   6.122
  145    HE2  PHE  19           HE1      PHE  19   3.372  -1.578   3.211
  146    HZ   PHE  19           HZ       PHE  19   4.741  -3.404   4.119
  147    H    ASP  20           HN       ASP  20   5.640   3.023   8.936
  148    HA   ASP  20           HA       ASP  20   7.604   1.181  10.092
  149   1HB   ASP  20           HB1      ASP  20   7.416   4.169  10.517
  150   2HB   ASP  20           HB2      ASP  20   8.161   3.447   9.092
  151    H    LYS  21           HN       LYS  21   6.778   0.057  11.797
  152    HA   LYS  21           HA       LYS  21   5.187   1.425  13.824
  153   1HB   LYS  21           HB1      LYS  21   4.951  -0.795  14.838
  154   2HB   LYS  21           HB2      LYS  21   6.138  -1.437  13.708
  155   1HG   LYS  21           HG1      LYS  21   4.642  -0.702  11.820
  156   2HG   LYS  21           HG2      LYS  21   3.430  -0.254  13.015
  157   1HD   LYS  21           HD1      LYS  21   3.868  -2.730  13.889
  158   2HD   LYS  21           HD2      LYS  21   4.403  -2.981  12.230
  159   1HE   LYS  21           HE1      LYS  21   2.196  -1.836  11.534
  160   2HE   LYS  21           HE2      LYS  21   1.685  -2.075  13.200
  161   1HZ   LYS  21           HZ1      LYS  21   2.760  -4.478  12.306
  162   2HZ   LYS  21           HZ2      LYS  21   1.708  -3.926  11.092
  163   3HZ   LYS  21           HZ3      LYS  21   1.139  -4.133  12.679
  164    H    ASP  22           HN       ASP  22   8.433   0.745  13.235
  165    HA   ASP  22           HA       ASP  22   9.285   0.533  16.016
  166   1HB   ASP  22           HB1      ASP  22  11.292  -0.010  15.121
  167   2HB   ASP  22           HB2      ASP  22  11.315   1.428  14.104
  168    H    GLY  23           HN       GLY  23   9.911   3.018  13.535
  169   1HA   GLY  23           HA1      GLY  23  10.231   5.006  15.733
  170   2HA   GLY  23           HA2      GLY  23   9.085   5.346  14.442
  171    H    ASP  24           HN       ASP  24  11.403   3.678  12.908
  172    HA   ASP  24           HA       ASP  24  13.385   5.843  12.664
  173   1HB   ASP  24           HB1      ASP  24  14.611   3.956  12.341
  174   2HB   ASP  24           HB2      ASP  24  14.006   4.038  10.689
  175    H    GLY  25           HN       GLY  25  10.899   4.303  10.684
  176   1HA   GLY  25           HA1      GLY  25  10.653   6.774   9.110
  177   2HA   GLY  25           HA2      GLY  25   9.598   5.367   8.995
  178    H    THR  26           HN       THR  26  11.132   3.328   8.350
  179    HA   THR  26           HA       THR  26  12.070   4.013   5.679
  180    HB   THR  26           HB       THR  26  14.309   2.852   6.048
  181    HG1  THR  26           HG1      THR  26  14.365   3.163   8.669
  182   1HG2  THR  26          HG21      THR  26  13.974   5.070   8.086
  183   2HG2  THR  26          HG22      THR  26  14.007   5.423   6.363
  184   3HG2  THR  26          HG23      THR  26  15.402   4.683   7.134
  185    H    ILE  27           HN       ILE  27  11.708   2.344   4.258
  186    HA   ILE  27           HA       ILE  27  10.364  -0.039   5.319
  187    HB   ILE  27           HB       ILE  27  11.123   0.875   2.531
  188   1HG1  ILE  27          HG11      ILE  27   8.808   1.254   2.234
  189   2HG1  ILE  27          HG12      ILE  27   9.101   1.778   3.882
  190   1HG2  ILE  27          HG21      ILE  27  11.272  -1.366   2.001
  191   2HG2  ILE  27          HG22      ILE  27   9.517  -1.256   1.984
  192   3HG2  ILE  27          HG23      ILE  27  10.350  -1.876   3.409
  193   1HD1  ILE  27          HD11      ILE  27   8.481  -0.865   4.310
  194   2HD1  ILE  27          HD12      ILE  27   7.502  -0.527   2.892
  195   3HD1  ILE  27          HD13      ILE  27   7.300   0.430   4.352
  196    H    THR  28           HN       THR  28  11.530  -1.584   6.268
  197    HA   THR  28           HA       THR  28  14.164  -2.346   5.041
  198    HB   THR  28           HB       THR  28  13.521  -2.354   8.019
  199    HG1  THR  28           HG1      THR  28  14.697  -0.447   7.967
  200   1HG2  THR  28          HG21      THR  28  16.063  -2.398   8.109
  201   2HG2  THR  28          HG22      THR  28  16.056  -2.713   6.378
  202   3HG2  THR  28          HG23      THR  28  15.355  -3.886   7.486
  203    H    THR  29           HN       THR  29  14.848  -4.586   5.705
  204    HA   THR  29           HA       THR  29  12.915  -6.530   5.008
  205    HB   THR  29           HB       THR  29  14.565  -8.174   6.121
  206    HG1  THR  29           HG1      THR  29  15.747  -5.630   6.626
  207   1HG2  THR  29          HG21      THR  29  14.874  -6.983   3.744
  208   2HG2  THR  29          HG22      THR  29  16.190  -7.911   4.452
  209   3HG2  THR  29          HG23      THR  29  16.178  -6.156   4.589
  210    H    LYS  30           HN       LYS  30  13.521  -4.909   7.967
  211    HA   LYS  30           HA       LYS  30  12.248  -6.848   9.713
  212   1HB   LYS  30           HB1      LYS  30  12.274  -4.041  10.584
  213   2HB   LYS  30           HB2      LYS  30  13.850  -4.663  10.109
  214   1HG   LYS  30           HG1      LYS  30  13.668  -6.506  11.668
  215   2HG   LYS  30           HG2      LYS  30  11.982  -6.119  12.007
  216   1HD   LYS  30           HD1      LYS  30  12.525  -4.317  13.351
  217   2HD   LYS  30           HD2      LYS  30  13.984  -3.946  12.438
  218   1HE   LYS  30           HE1      LYS  30  15.171  -5.805  13.442
  219   2HE   LYS  30           HE2      LYS  30  13.697  -6.396  14.201
  220   1HZ   LYS  30           HZ1      LYS  30  14.755  -3.700  14.773
  221   2HZ   LYS  30           HZ2      LYS  30  13.650  -4.619  15.677
  222   3HZ   LYS  30           HZ3      LYS  30  15.287  -5.067  15.630
  223    H    GLU  31           HN       GLU  31  11.231  -3.565   8.716
  224    HA   GLU  31           HA       GLU  31   8.542  -3.923   9.649
  225   1HB   GLU  31           HB1      GLU  31   8.066  -1.936   8.138
  226   2HB   GLU  31           HB2      GLU  31   9.759  -2.004   7.659
  227   1HG   GLU  31           HG1      GLU  31   9.864  -2.152  10.442
  228   2HG   GLU  31           HG2      GLU  31   8.574  -0.991  10.140
  229    H    LEU  32           HN       LEU  32  10.181  -4.637   6.707
  230    HA   LEU  32           HA       LEU  32   7.817  -5.144   5.119
  231   1HB   LEU  32           HB1      LEU  32  10.551  -6.351   4.681
  232   2HB   LEU  32           HB2      LEU  32  10.191  -4.677   4.269
  233    HG   LEU  32           HG       LEU  32   8.187  -6.615   3.303
  234   1HD1  LEU  32          HD11      LEU  32   9.823  -4.457   1.928
  235   2HD1  LEU  32          HD12      LEU  32   8.279  -4.179   2.728
  236   3HD1  LEU  32          HD13      LEU  32   8.360  -5.211   1.303
  237   1HD2  LEU  32          HD21      LEU  32  10.032  -8.056   2.862
  238   2HD2  LEU  32          HD22      LEU  32  11.078  -6.712   2.422
  239   3HD2  LEU  32          HD23      LEU  32   9.770  -7.197   1.347
  240    H    GLY  33           HN       GLY  33  10.190  -7.254   6.714
  241   1HA   GLY  33           HA1      GLY  33   9.938  -9.412   7.599
  242   2HA   GLY  33           HA2      GLY  33   8.939  -9.723   6.180
  243    H    THR  34           HN       THR  34   8.664  -7.846   9.200
  244    HA   THR  34           HA       THR  34   6.690  -9.268  10.498
  245    HB   THR  34           HB       THR  34   5.871  -6.946  11.335
  246    HG1  THR  34           HG1      THR  34   8.151  -5.976  10.083
  247   1HG2  THR  34          HG21      THR  34   8.629  -8.066  11.492
  248   2HG2  THR  34          HG22      THR  34   8.450  -6.379  11.962
  249   3HG2  THR  34          HG23      THR  34   7.535  -7.629  12.800
  250    H    VAL  35           HN       VAL  35   5.921  -6.461   8.475
  251    HA   VAL  35           HA       VAL  35   3.133  -6.982   8.336
  252    HB   VAL  35           HB       VAL  35   4.872  -5.515   6.340
  253   1HG1  VAL  35          HG11      VAL  35   1.906  -5.708   6.826
  254   2HG1  VAL  35          HG12      VAL  35   2.782  -5.715   5.299
  255   3HG1  VAL  35          HG13      VAL  35   2.589  -4.213   6.197
  256   1HG2  VAL  35          HG21      VAL  35   3.393  -4.535   8.808
  257   2HG2  VAL  35          HG22      VAL  35   4.307  -3.527   7.690
  258   3HG2  VAL  35          HG23      VAL  35   5.140  -4.720   8.681
  259    H    MET  36           HN       MET  36   5.422  -7.334   5.622
  260    HA   MET  36           HA       MET  36   3.840  -8.694   3.834
  261   1HB   MET  36           HB1      MET  36   6.670  -9.602   4.363
  262   2HB   MET  36           HB2      MET  36   6.322  -8.043   3.628
  263   1HG   MET  36           HG1      MET  36   4.933  -9.274   1.908
  264   2HG   MET  36           HG2      MET  36   5.529 -10.768   2.583
  265   1HE   MET  36           HE1      MET  36   5.890  -8.001   0.139
  266   2HE   MET  36           HE2      MET  36   7.619  -7.772  -0.121
  267   3HE   MET  36           HE3      MET  36   6.887  -7.300   1.413
  268    NH1  ARG  37           NH1      ARG  37   5.417 -14.135  12.878
  269    NH2  ARG  37           NH2      ARG  37   7.033 -15.697  12.465
  270    H    ARG  37           HN       ARG  37   5.444 -10.083   6.634
  271    HA   ARG  37           HA       ARG  37   4.766 -12.807   6.119
  272   1HB   ARG  37           HB1      ARG  37   5.244 -11.427   8.774
  273   2HB   ARG  37           HB2      ARG  37   6.503 -12.085   7.742
  274   1HG   ARG  37           HG1      ARG  37   6.016 -14.267   8.289
  275   2HG   ARG  37           HG2      ARG  37   4.301 -13.953   8.502
  276   1HD   ARG  37           HD1      ARG  37   4.591 -13.103  10.675
  277   2HD   ARG  37           HD2      ARG  37   6.292 -12.731  10.404
  278    HE   ARG  37           HE       ARG  37   5.963 -15.548  10.186
  279   1HH1  ARG  37          HH11      ARG  37   4.724 -13.509  12.523
  280   2HH1  ARG  37          HH12      ARG  37   5.578 -14.198  13.864
  281   1HH2  ARG  37          HH21      ARG  37   7.547 -16.239  11.804
  282   2HH2  ARG  37          HH22      ARG  37   7.223 -15.788  13.444
  283    H    SER  38           HN       SER  38   3.188 -10.262   7.991
  284    HA   SER  38           HA       SER  38   0.926 -11.978   8.688
  285   1HB   SER  38           HB1      SER  38   0.471  -9.091   8.929
  286   2HB   SER  38           HB2      SER  38   1.963  -9.622   9.730
  287    HG   SER  38           HG       SER  38   0.702 -10.455  11.182
  288    H    LEU  39           HN       LEU  39   1.764 -11.252   5.839
  289    HA   LEU  39           HA       LEU  39  -0.969 -10.492   4.909
  290   1HB   LEU  39           HB1      LEU  39   1.294  -9.654   3.198
  291   2HB   LEU  39           HB2      LEU  39   1.214  -8.824   4.742
  292    HG   LEU  39           HG       LEU  39  -1.371  -9.047   3.228
  293   1HD1  LEU  39          HD11      LEU  39   0.082  -6.955   4.162
  294   2HD1  LEU  39          HD12      LEU  39  -1.082  -8.222   5.061
  295   3HD1  LEU  39          HD13      LEU  39  -0.412  -7.101   5.425
  296   1HD2  LEU  39          HD21      LEU  39  -0.546  -6.870   1.961
  297   2HD2  LEU  39          HD22      LEU  39  -0.192  -8.463   1.304
  298   3HD2  LEU  39          HD23      LEU  39   1.050  -7.585   2.188
  299    H    GLY  40           HN       GLY  40   2.066 -12.132   4.210
  300   1HA   GLY  40           HA1      GLY  40   1.715 -13.185   1.700
  301   2HA   GLY  40           HA2      GLY  40   0.621 -14.162   2.674
  302    H    GLN  41           HN       GLN  41   2.464 -13.880   5.025
  303    HA   GLN  41           HA       GLN  41   4.073 -15.291   6.000
  304   1HB   GLN  41           HB1      GLN  41   4.697 -16.890   3.624
  305   2HB   GLN  41           HB2      GLN  41   2.977 -16.858   3.994
  306   1HG   GLN  41           HG1      GLN  41   3.444 -17.531   6.315
  307   2HG   GLN  41           HG2      GLN  41   5.173 -17.535   5.980
  308   1HE2  GLN  41          HE21      GLN  41   5.856 -19.065   4.136
  309   2HE2  GLN  41          HE22      GLN  41   5.015 -20.531   3.983
  310    H    ASN  42           HN       ASN  42   6.417 -15.982   5.659
  311    HA   ASN  42           HA       ASN  42   7.829 -14.170   3.771
  312   1HB   ASN  42           HB1      ASN  42   8.134 -14.325   6.753
  313   2HB   ASN  42           HB2      ASN  42   7.928 -12.897   5.741
  314   1HD2  ASN  42          HD21      ASN  42  10.260 -15.499   6.516
  315   2HD2  ASN  42          HD22      ASN  42  11.640 -14.610   6.083
  316    HA   PRO  43           HA       PRO  43   9.732 -18.286   3.358
  317   1HB   PRO  43           HB1      PRO  43   9.923 -18.338   1.111
  318   2HB   PRO  43           HB2      PRO  43  11.449 -17.489   1.235
  319   1HG   PRO  43           HG1      PRO  43   9.031 -16.469   0.138
  320   2HG   PRO  43           HG2      PRO  43  10.494 -15.540   0.470
  321   1HD   PRO  43           HD1      PRO  43   9.399 -14.449   2.140
  322   2HD   PRO  43           HD2      PRO  43   7.954 -15.445   1.865
  323    H    THR  44           HN       THR  44  12.520 -16.607   2.187
  324    HA   THR  44           HA       THR  44  13.900 -17.192   4.766
  325    HB   THR  44           HB       THR  44  15.997 -16.952   3.183
  326    HG1  THR  44           HG1      THR  44  14.942 -17.713   1.041
  327   1HG2  THR  44          HG21      THR  44  15.098 -19.174   4.039
  328   2HG2  THR  44          HG22      THR  44  15.769 -19.266   2.414
  329   3HG2  THR  44          HG23      THR  44  14.024 -19.205   2.645
  330    H    GLU  45           HN       GLU  45  15.937 -15.730   5.001
  331    HA   GLU  45           HA       GLU  45  14.944 -12.935   4.944
  332   1HB   GLU  45           HB1      GLU  45  17.289 -12.793   6.292
  333   2HB   GLU  45           HB2      GLU  45  16.876 -14.479   6.580
  334   1HG   GLU  45           HG1      GLU  45  14.502 -13.554   7.166
  335   2HG   GLU  45           HG2      GLU  45  15.324 -12.005   7.337
  336    H    ALA  46           HN       ALA  46  17.797 -14.830   4.034
  337    HA   ALA  46           HA       ALA  46  19.400 -12.844   2.928
  338   1HB   ALA  46           HB1      ALA  46  19.360 -15.173   1.202
  339   2HB   ALA  46           HB2      ALA  46  19.348 -15.641   2.899
  340   3HB   ALA  46           HB3      ALA  46  20.635 -14.611   2.280
  341    H    GLU  47           HN       GLU  47  16.655 -14.498   1.448
  342    HA   GLU  47           HA       GLU  47  16.910 -13.309  -1.151
  343   1HB   GLU  47           HB1      GLU  47  14.368 -13.829  -1.238
  344   2HB   GLU  47           HB2      GLU  47  14.586 -14.511   0.367
  345   1HG   GLU  47           HG1      GLU  47  15.509 -16.404  -0.483
  346   2HG   GLU  47           HG2      GLU  47  16.633 -15.502  -1.486
  347    H    LEU  48           HN       LEU  48  15.125 -12.316   1.743
  348    HA   LEU  48           HA       LEU  48  13.846 -10.057   0.530
  349   1HB   LEU  48           HB1      LEU  48  14.060  -9.267   3.118
  350   2HB   LEU  48           HB2      LEU  48  14.375 -10.983   3.311
  351    HG   LEU  48           HG       LEU  48  11.966  -9.962   1.761
  352   1HD1  LEU  48          HD11      LEU  48  12.075 -12.532   3.279
  353   2HD1  LEU  48          HD12      LEU  48  13.026 -12.441   1.803
  354   3HD1  LEU  48          HD13      LEU  48  11.288 -12.175   1.746
  355   1HD2  LEU  48          HD21      LEU  48  11.838  -9.070   4.044
  356   2HD2  LEU  48          HD22      LEU  48  12.187 -10.665   4.704
  357   3HD2  LEU  48          HD23      LEU  48  10.677 -10.380   3.844
  358    H    GLN  49           HN       GLN  49  16.862 -10.351   2.368
  359    HA   GLN  49           HA       GLN  49  17.549  -7.581   2.258
  360   1HB   GLN  49           HB1      GLN  49  19.542  -9.859   2.293
  361   2HB   GLN  49           HB2      GLN  49  18.595  -9.430   3.709
  362   1HG   GLN  49           HG1      GLN  49  19.511  -6.988   3.231
  363   2HG   GLN  49           HG2      GLN  49  20.754  -7.846   2.327
  364   1HE2  GLN  49          HE21      GLN  49  22.366  -8.952   3.521
  365   2HE2  GLN  49          HE22      GLN  49  22.407  -9.003   5.217
  366    H    ASP  50           HN       ASP  50  18.220 -10.279   0.088
  367    HA   ASP  50           HA       ASP  50  19.957  -8.834  -1.690
  368   1HB   ASP  50           HB1      ASP  50  18.152 -11.126  -2.484
  369   2HB   ASP  50           HB2      ASP  50  19.622 -11.370  -1.544
  370    H    MET  51           HN       MET  51  16.479  -9.300  -1.557
  371    HA   MET  51           HA       MET  51  15.873  -8.094  -4.075
  372   1HB   MET  51           HB1      MET  51  13.818  -7.728  -2.037
  373   2HB   MET  51           HB2      MET  51  14.445  -9.370  -2.046
  374   1HG   MET  51           HG1      MET  51  13.825  -9.728  -4.289
  375   2HG   MET  51           HG2      MET  51  13.690  -8.025  -4.627
  376   1HE   MET  51           HE1      MET  51  10.616  -9.861  -1.794
  377   2HE   MET  51           HE2      MET  51  11.832  -8.680  -1.316
  378   3HE   MET  51           HE3      MET  51  12.325 -10.280  -1.865
  379    H    ILE  52           HN       ILE  52  16.457  -6.840  -0.894
  380    HA   ILE  52           HA       ILE  52  15.444  -4.179  -1.518
  381    HB   ILE  52           HB       ILE  52  16.321  -5.643   0.826
  382   1HG1  ILE  52          HG11      ILE  52  14.214  -3.973   0.223
  383   2HG1  ILE  52          HG12      ILE  52  15.210  -2.920   1.214
  384   1HG2  ILE  52          HG21      ILE  52  17.453  -3.798   2.032
  385   2HG2  ILE  52          HG22      ILE  52  17.508  -2.857   0.550
  386   3HG2  ILE  52          HG23      ILE  52  18.415  -4.368   0.680
  387   1HD1  ILE  52          HD11      ILE  52  13.684  -4.160   2.650
  388   2HD1  ILE  52          HD12      ILE  52  15.319  -4.753   2.925
  389   3HD1  ILE  52          HD13      ILE  52  14.199  -5.684   1.937
  390    H    ASN  53           HN       ASN  53  18.514  -5.817  -1.621
  391    HA   ASN  53           HA       ASN  53  20.076  -3.388  -1.972
  392   1HB   ASN  53           HB1      ASN  53  21.326  -5.727  -3.122
  393   2HB   ASN  53           HB2      ASN  53  20.629  -6.120  -1.553
  394   1HD2  ASN  53          HD21      ASN  53  23.524  -5.468  -2.610
  395   2HD2  ASN  53          HD22      ASN  53  24.109  -4.379  -1.446
  396    H    GLU  54           HN       GLU  54  18.392  -5.619  -4.048
  397    HA   GLU  54           HA       GLU  54  19.580  -4.854  -6.521
  398   1HB   GLU  54           HB1      GLU  54  16.755  -5.599  -6.676
  399   2HB   GLU  54           HB2      GLU  54  17.720  -6.723  -5.725
  400   1HG   GLU  54           HG1      GLU  54  19.322  -6.950  -7.578
  401   2HG   GLU  54           HG2      GLU  54  18.418  -5.772  -8.526
  402    H    VAL  55           HN       VAL  55  17.725  -3.062  -4.413
  403    HA   VAL  55           HA       VAL  55  16.909  -1.207  -6.611
  404    HB   VAL  55           HB       VAL  55  15.200  -2.576  -4.857
  405   1HG1  VAL  55          HG11      VAL  55  14.095  -0.787  -3.595
  406   2HG1  VAL  55          HG12      VAL  55  15.260   0.388  -4.163
  407   3HG1  VAL  55          HG13      VAL  55  15.766  -0.912  -3.080
  408   1HG2  VAL  55          HG21      VAL  55  14.821  -0.188  -6.674
  409   2HG2  VAL  55          HG22      VAL  55  13.481  -1.032  -5.911
  410   3HG2  VAL  55          HG23      VAL  55  14.519  -1.883  -7.048
  411    H    ASP  56           HN       ASP  56  17.980  -1.546  -3.279
  412    HA   ASP  56           HA       ASP  56  18.098   1.209  -2.602
  413   1HB   ASP  56           HB1      ASP  56  20.090  -0.881  -1.697
  414   2HB   ASP  56           HB2      ASP  56  18.455  -0.770  -1.049
  415    H    ALA  57           HN       ALA  57  19.006   2.644  -3.959
  416    HA   ALA  57           HA       ALA  57  21.243   2.098  -5.643
  417   1HB   ALA  57           HB1      ALA  57  19.593   3.882  -6.104
  418   2HB   ALA  57           HB2      ALA  57  21.239   4.506  -6.093
  419   3HB   ALA  57           HB3      ALA  57  20.188   4.772  -4.706
  420    H    ASP  58           HN       ASP  58  21.018   4.142  -2.735
  421    HA   ASP  58           HA       ASP  58  23.788   4.664  -2.526
  422   1HB   ASP  58           HB1      ASP  58  23.183   5.857  -0.704
  423   2HB   ASP  58           HB2      ASP  58  22.435   4.462   0.061
  424    H    GLY  59           HN       GLY  59  22.018   2.530  -0.284
  425   1HA   GLY  59           HA1      GLY  59  24.514   0.933   0.007
  426   2HA   GLY  59           HA2      GLY  59  23.035   0.092  -0.445
  427    H    ASN  60           HN       ASN  60  22.130   2.614   1.491
  428    HA   ASN  60           HA       ASN  60  22.825   1.853   4.118
  429   1HB   ASN  60           HB1      ASN  60  21.222   3.349   4.812
  430   2HB   ASN  60           HB2      ASN  60  20.022   2.749   3.671
  431   1HD2  ASN  60          HD21      ASN  60  22.775   4.935   4.042
  432   2HD2  ASN  60          HD22      ASN  60  22.546   5.761   2.577
  433    H    GLY  61           HN       GLY  61  21.142   0.066   1.857
  434   1HA   GLY  61           HA1      GLY  61  20.554  -2.029   3.768
  435   2HA   GLY  61           HA2      GLY  61  20.137  -2.055   2.056
  436    H    THR  62           HN       THR  62  19.017   0.803   3.205
  437    HA   THR  62           HA       THR  62  16.274  -0.319   3.532
  438    HB   THR  62           HB       THR  62  15.827   1.101   5.480
  439    HG1  THR  62           HG1      THR  62  17.004   2.869   5.358
  440   1HG2  THR  62          HG21      THR  62  17.053  -0.084   7.043
  441   2HG2  THR  62          HG22      THR  62  18.576   0.232   6.219
  442   3HG2  THR  62          HG23      THR  62  17.512  -1.045   5.643
  443    H    ILE  63           HN       ILE  63  14.752   1.792   3.771
  444    HA   ILE  63           HA       ILE  63  15.556   3.645   1.542
  445    HB   ILE  63           HB       ILE  63  12.700   2.992   1.992
  446   1HG1  ILE  63          HG11      ILE  63  13.606   0.798   2.122
  447   2HG1  ILE  63          HG12      ILE  63  14.811   1.128   0.897
  448   1HG2  ILE  63          HG21      ILE  63  13.673   4.608   0.263
  449   2HG2  ILE  63          HG22      ILE  63  12.586   3.381  -0.369
  450   3HG2  ILE  63          HG23      ILE  63  14.328   3.192  -0.551
  451   1HD1  ILE  63          HD11      ILE  63  11.860   1.273   0.328
  452   2HD1  ILE  63          HD12      ILE  63  12.774  -0.227   0.189
  453   3HD1  ILE  63          HD13      ILE  63  13.200   1.159  -0.811
  454    H    ASP  64           HN       ASP  64  15.157   5.753   1.791
  455    HA   ASP  64           HA       ASP  64  13.878   6.602   4.355
  456   1HB   ASP  64           HB1      ASP  64  15.260   8.740   3.920
  457   2HB   ASP  64           HB2      ASP  64  16.094   7.810   2.684
  458    H    PHE  65           HN       PHE  65  13.740   9.375   3.485
  459    HA   PHE  65           HA       PHE  65  11.179   9.297   2.167
  460   1HB   PHE  65           HB1      PHE  65  11.705  11.921   2.194
  461   2HB   PHE  65           HB2      PHE  65  12.935  11.395   3.319
  462    HD1  PHE  65           HD2      PHE  65  10.295   9.075   3.951
  463    HD2  PHE  65           HD1      PHE  65  11.362  13.181   4.545
  464    HE1  PHE  65           HE2      PHE  65   8.688   9.243   5.768
  465    HE2  PHE  65           HE1      PHE  65   9.779  13.284   6.414
  466    HZ   PHE  65           HZ       PHE  65   8.457  11.323   7.025
  467    HA   PRO  66           HA       PRO  66  13.326  11.573  -1.531
  468   1HB   PRO  66           HB1      PRO  66  15.444  12.354  -1.483
  469   2HB   PRO  66           HB2      PRO  66  16.045  10.705  -1.673
  470   1HG   PRO  66           HG1      PRO  66  16.278  12.321   0.659
  471   2HG   PRO  66           HG2      PRO  66  16.638  10.597   0.546
  472   1HD   PRO  66           HD1      PRO  66  14.872  10.261   1.976
  473   2HD   PRO  66           HD2      PRO  66  14.331  11.931   1.768
  474    H    GLU  67           HN       GLU  67  14.925   8.561  -0.526
  475    HA   GLU  67           HA       GLU  67  14.939   7.350  -3.099
  476   1HB   GLU  67           HB1      GLU  67  14.920   5.180  -1.617
  477   2HB   GLU  67           HB2      GLU  67  15.134   6.330  -0.301
  478   1HG   GLU  67           HG1      GLU  67  17.065   7.324  -1.589
  479   2HG   GLU  67           HG2      GLU  67  16.899   6.008  -2.750
  480    H    PHE  68           HN       PHE  68  12.514   7.157  -0.479
  481    HA   PHE  68           HA       PHE  68  10.843   5.295  -1.834
  482   1HB   PHE  68           HB1      PHE  68  10.018   7.474   0.108
  483   2HB   PHE  68           HB2      PHE  68  10.537   5.860   0.564
  484    HD1  PHE  68           HD2      PHE  68   8.789   4.850  -2.186
  485    HD2  PHE  68           HD1      PHE  68   7.943   6.891   1.479
  486    HE1  PHE  68           HE2      PHE  68   6.495   4.073  -2.281
  487    HE2  PHE  68           HE1      PHE  68   5.623   6.110   1.336
  488    HZ   PHE  68           HZ       PHE  68   4.900   4.708  -0.537
  489    H    LEU  69           HN       LEU  69  10.414   8.799  -1.466
  490    HA   LEU  69           HA       LEU  69   8.395   9.257  -3.314
  491   1HB   LEU  69           HB1      LEU  69  10.069  11.370  -3.845
  492   2HB   LEU  69           HB2      LEU  69  10.707  10.803  -2.311
  493    HG   LEU  69           HG       LEU  69   8.391  10.839  -1.341
  494   1HD1  LEU  69          HD11      LEU  69   8.437  13.166  -0.830
  495   2HD1  LEU  69          HD12      LEU  69   9.109  13.602  -2.397
  496   3HD1  LEU  69          HD13      LEU  69  10.104  12.767  -1.215
  497   1HD2  LEU  69          HD21      LEU  69   8.069  12.173  -3.704
  498   2HD2  LEU  69          HD22      LEU  69   6.969  11.901  -2.130
  499   3HD2  LEU  69          HD23      LEU  69   6.807  12.511  -3.328
  500    H    THR  70           HN       THR  70  11.856   8.948  -3.905
  501    HA   THR  70           HA       THR  70  11.777   9.307  -6.724
  502    HB   THR  70           HB       THR  70  13.724   7.651  -5.066
  503    HG1  THR  70           HG1      THR  70  14.285  10.164  -6.071
  504   1HG2  THR  70          HG21      THR  70  13.914   8.921  -7.824
  505   2HG2  THR  70          HG22      THR  70  14.047   7.200  -7.467
  506   3HG2  THR  70          HG23      THR  70  15.297   8.313  -6.923
  507    H    MET  71           HN       MET  71  11.432   6.397  -4.726
  508    HA   MET  71           HA       MET  71  11.436   4.492  -6.818
  509   1HB   MET  71           HB1      MET  71   9.589   4.289  -4.445
  510   2HB   MET  71           HB2      MET  71  11.330   4.087  -4.282
  511   1HG   MET  71           HG1      MET  71   9.522   2.513  -6.128
  512   2HG   MET  71           HG2      MET  71  10.173   1.930  -4.619
  513   1HE   MET  71           HE1      MET  71  10.227   0.062  -6.439
  514   2HE   MET  71           HE2      MET  71  11.641  -0.255  -7.446
  515   3HE   MET  71           HE3      MET  71  10.390   0.856  -8.005
  516    H    MET  72           HN       MET  72   8.935   6.711  -5.778
  517    HA   MET  72           HA       MET  72   7.001   5.482  -7.664
  518   1HB   MET  72           HB1      MET  72   5.836   7.789  -6.564
  519   2HB   MET  72           HB2      MET  72   6.803   7.119  -5.258
  520   1HG   MET  72           HG1      MET  72   5.714   4.962  -5.484
  521   2HG   MET  72           HG2      MET  72   4.853   5.486  -6.910
  522   1HE   MET  72           HE1      MET  72   4.474   4.807  -3.159
  523   2HE   MET  72           HE2      MET  72   3.867   3.905  -4.546
  524   3HE   MET  72           HE3      MET  72   2.742   4.712  -3.455
  525    H    ALA  73           HN       ALA  73   8.491   8.653  -7.050
  526    HA   ALA  73           HA       ALA  73   7.488   9.923  -9.391
  527   1HB   ALA  73           HB1      ALA  73   9.226  10.627  -7.253
  528   2HB   ALA  73           HB2      ALA  73   8.460  11.696  -8.418
  529   3HB   ALA  73           HB3      ALA  73  10.046  11.013  -8.759
  530    NH1  ARG  74           NH2      ARG  74  15.104   3.285 -12.753
  531    NH2  ARG  74           NH1      ARG  74  15.051   2.655 -10.556
  532    H    ARG  74           HN       ARG  74  10.390   8.074  -8.779
  533    HA   ARG  74           HA       ARG  74  11.458   8.402 -11.443
  534   1HB   ARG  74           HB1      ARG  74  12.013   6.039  -9.592
  535   2HB   ARG  74           HB2      ARG  74  12.728   7.614  -9.340
  536   1HG   ARG  74           HG1      ARG  74  14.407   6.648 -10.628
  537   2HG   ARG  74           HG2      ARG  74  13.490   7.483 -11.853
  538   1HD   ARG  74           HD1      ARG  74  12.402   5.247 -11.363
  539   2HD   ARG  74           HD2      ARG  74  14.317   5.254 -11.619
  540    HE   ARG  74           HE       ARG  74  12.639   3.488 -10.985
  541   1HH1  ARG  74          HH21      ARG  74  14.680   3.773 -13.514
  542   2HH1  ARG  74          HH22      ARG  74  15.970   2.801 -12.889
  543   1HH2  ARG  74          HH11      ARG  74  14.587   2.672  -9.672
  544   2HH2  ARG  74          HH12      ARG  74  15.916   2.161 -10.658
  545    H    LYS  75           HN       LYS  75  10.280   7.761 -13.103
  546    HA   LYS  75           HA       LYS  75   9.105   5.058 -13.033
  547   1HB   LYS  75           HB1      LYS  75   7.173   6.072 -12.282
  548   2HB   LYS  75           HB2      LYS  75   6.951   6.231 -14.016
  549   1HG   LYS  75           HG1      LYS  75   7.254   8.329 -12.013
  550   2HG   LYS  75           HG2      LYS  75   8.459   8.519 -13.262
  551   1HD   LYS  75           HD1      LYS  75   6.291   9.708 -13.730
  552   2HD   LYS  75           HD2      LYS  75   5.514   8.138 -13.830
  553   1HE   LYS  75           HE1      LYS  75   6.542   7.605 -15.852
  554   2HE   LYS  75           HE2      LYS  75   6.430   9.348 -16.019
  555   1HZ   LYS  75           HZ1      LYS  75   8.822   8.043 -14.885
  556   2HZ   LYS  75           HZ2      LYS  75   8.671   9.620 -15.483
  557   3HZ   LYS  75           HZ3      LYS  75   8.637   8.297 -16.549
  558    H    MET  76           HN       MET  76   8.017   4.549 -15.040
  559    HA   MET  76           HA       MET  76   9.177   5.919 -17.407
  560   1HB   MET  76           HB1      MET  76   9.407   3.608 -18.425
  561   2HB   MET  76           HB2      MET  76   9.089   2.938 -16.834
  562   1HG   MET  76           HG1      MET  76  11.528   3.152 -17.421
  563   2HG   MET  76           HG2      MET  76  11.320   4.881 -17.470
  564   1HE   MET  76           HE1      MET  76  10.552   1.842 -15.377
  565   2HE   MET  76           HE2      MET  76  10.880   2.308 -13.709
  566   3HE   MET  76           HE3      MET  76   9.441   2.915 -14.526
  567    H    LYS  77           HN       LYS  77   7.464   6.589 -18.594
  568    HA   LYS  77           HA       LYS  77   4.776   6.031 -18.115
  569   1HB   LYS  77           HB1      LYS  77   4.556   7.479 -19.814
  570   2HB   LYS  77           HB2      LYS  77   5.032   6.217 -20.943
  571   1HG   LYS  77           HG1      LYS  77   7.428   6.751 -20.485
  572   2HG   LYS  77           HG2      LYS  77   6.911   8.062 -19.426
  573   1HD   LYS  77           HD1      LYS  77   6.783   7.860 -22.403
  574   2HD   LYS  77           HD2      LYS  77   5.476   8.720 -21.594
  575   1HE   LYS  77           HE1      LYS  77   7.015  10.246 -20.551
  576   2HE   LYS  77           HE2      LYS  77   7.468  10.162 -22.248
  577   1HZ   LYS  77           HZ1      LYS  77   8.731   8.570 -20.088
  578   2HZ   LYS  77           HZ2      LYS  77   9.368  10.008 -20.726
  579   3HZ   LYS  77           HZ3      LYS  77   9.215   8.635 -21.715
  580    H    ASP  78           HN       ASP  78   7.131   3.958 -19.320
  581    HA   ASP  78           HA       ASP  78   6.260   2.117 -21.025
  582   1HB   ASP  78           HB1      ASP  78   6.839   0.441 -18.891
  583   2HB   ASP  78           HB2      ASP  78   7.675   1.936 -18.483
  584    H    THR  79           HN       THR  79   4.562   0.978 -21.466
  585    HA   THR  79           HA       THR  79   2.059   0.867 -20.956
  586    HB   THR  79           HB       THR  79   1.949  -1.455 -21.339
  587    HG1  THR  79           HG1      THR  79   4.153  -1.406 -19.542
  588   1HG2  THR  79          HG21      THR  79   4.935  -1.153 -21.680
  589   2HG2  THR  79          HG22      THR  79   3.847  -0.266 -22.743
  590   3HG2  THR  79          HG23      THR  79   3.801  -2.026 -22.706
  591    H    ASP  80           HN       ASP  80   0.642   1.100 -19.378
  592    HA   ASP  80           HA       ASP  80   1.254   1.258 -16.634
  593   1HB   ASP  80           HB1      ASP  80  -1.333   0.698 -16.457
  594   2HB   ASP  80           HB2      ASP  80  -0.793   2.223 -17.153
  595    H    SER  81           HN       SER  81   1.766  -0.256 -15.186
  596    HA   SER  81           HA       SER  81   1.177  -3.102 -15.826
  597   1HB   SER  81           HB1      SER  81   2.838  -2.274 -13.462
  598   2HB   SER  81           HB2      SER  81   3.527  -2.142 -15.090
  599    HG   SER  81           HG       SER  81   2.422  -4.358 -15.282
  600    H    GLU  82           HN       GLU  82  -1.113  -2.046 -15.237
  601    HA   GLU  82           HA       GLU  82  -1.992  -1.486 -12.683
  602   1HB   GLU  82           HB1      GLU  82  -4.147  -2.395 -13.297
  603   2HB   GLU  82           HB2      GLU  82  -3.412  -3.415 -14.531
  604   1HG   GLU  82           HG1      GLU  82  -2.911  -1.577 -15.926
  605   2HG   GLU  82           HG2      GLU  82  -3.041  -0.420 -14.604
  606    H    GLU  83           HN       GLU  83  -0.592  -4.438 -13.739
  607    HA   GLU  83           HA       GLU  83  -1.690  -6.385 -12.087
  608   1HB   GLU  83           HB1      GLU  83   0.698  -7.285 -11.907
  609   2HB   GLU  83           HB2      GLU  83   1.195  -5.863 -12.814
  610   1HG   GLU  83           HG1      GLU  83  -0.268  -6.488 -14.671
  611   2HG   GLU  83           HG2      GLU  83  -0.915  -7.842 -13.746
  612    H    GLU  84           HN       GLU  84   0.317  -3.676 -11.219
  613    HA   GLU  84           HA       GLU  84   0.904  -4.516  -8.521
  614   1HB   GLU  84           HB1      GLU  84   1.327  -2.047  -8.156
  615   2HB   GLU  84           HB2      GLU  84   0.791  -1.779  -9.812
  616   1HG   GLU  84           HG1      GLU  84   2.550  -3.379 -10.598
  617   2HG   GLU  84           HG2      GLU  84   3.121  -3.523  -8.937
  618    H    ILE  85           HN       ILE  85  -1.275  -1.914  -9.592
  619    HA   ILE  85           HA       ILE  85  -2.720  -1.637  -7.211
  620    HB   ILE  85           HB       ILE  85  -3.719  -1.365 -10.059
  621   1HG1  ILE  85          HG11      ILE  85  -1.961   0.230  -8.342
  622   2HG1  ILE  85          HG12      ILE  85  -3.350   1.157  -8.889
  623   1HG2  ILE  85          HG21      ILE  85  -4.875  -0.357  -7.436
  624   2HG2  ILE  85          HG22      ILE  85  -5.621  -1.519  -8.528
  625   3HG2  ILE  85          HG23      ILE  85  -5.431   0.156  -9.027
  626   1HD1  ILE  85          HD11      ILE  85  -1.456  -0.417 -10.666
  627   2HD1  ILE  85          HD12      ILE  85  -1.505   1.336 -10.512
  628   3HD1  ILE  85          HD13      ILE  85  -2.864   0.477 -11.230
  629    NH1  ARG  86           NH1      ARG  86  -7.886  -7.784 -13.721
  630    NH2  ARG  86           NH2      ARG  86  -6.656  -9.608 -14.343
  631    H    ARG  86           HN       ARG  86  -3.362  -3.784  -9.919
  632    HA   ARG  86           HA       ARG  86  -5.705  -5.035  -9.067
  633   1HB   ARG  86           HB1      ARG  86  -3.644  -6.863 -10.130
  634   2HB   ARG  86           HB2      ARG  86  -3.920  -5.425 -11.103
  635   1HG   ARG  86           HG1      ARG  86  -6.361  -5.924 -11.112
  636   2HG   ARG  86           HG2      ARG  86  -6.043  -7.396 -10.198
  637   1HD   ARG  86           HD1      ARG  86  -4.292  -7.814 -12.176
  638   2HD   ARG  86           HD2      ARG  86  -5.395  -6.755 -13.054
  639    HE   ARG  86           HE       ARG  86  -6.354  -9.240 -11.691
  640   1HH1  ARG  86          HH11      ARG  86  -8.071  -7.065 -13.050
  641   2HH1  ARG  86          HH12      ARG  86  -8.424  -7.837 -14.561
  642   1HH2  ARG  86          HH21      ARG  86  -5.922 -10.256 -14.140
  643   2HH2  ARG  86          HH22      ARG  86  -7.175  -9.691 -15.194
  644    H    GLU  87           HN       GLU  87  -2.427  -6.293  -8.521
  645    HA   GLU  87           HA       GLU  87  -3.036  -8.318  -6.736
  646   1HB   GLU  87           HB1      GLU  87  -0.635  -6.582  -6.223
  647   2HB   GLU  87           HB2      GLU  87  -0.744  -7.449  -7.746
  648   1HG   GLU  87           HG1      GLU  87  -1.393  -9.237  -5.544
  649   2HG   GLU  87           HG2      GLU  87   0.162  -8.466  -5.275
  650    H    ALA  88           HN       ALA  88  -2.308  -4.929  -5.955
  651    HA   ALA  88           HA       ALA  88  -2.530  -5.038  -3.167
  652   1HB   ALA  88           HB1      ALA  88  -3.794  -2.810  -4.762
  653   2HB   ALA  88           HB2      ALA  88  -2.045  -3.005  -4.702
  654   3HB   ALA  88           HB3      ALA  88  -2.949  -2.706  -3.220
  655    H    PHE  89           HN       PHE  89  -5.064  -4.699  -5.589
  656    HA   PHE  89           HA       PHE  89  -7.280  -4.509  -3.843
  657   1HB   PHE  89           HB1      PHE  89  -7.399  -6.088  -6.402
  658   2HB   PHE  89           HB2      PHE  89  -7.118  -4.356  -6.451
  659    HD1  PHE  89           HD1      PHE  89  -9.292  -5.547  -3.686
  660    HD2  PHE  89           HD2      PHE  89  -9.242  -4.211  -7.740
  661    HE1  PHE  89           HE1      PHE  89 -11.683  -5.113  -3.574
  662    HE2  PHE  89           HE2      PHE  89 -11.642  -3.811  -7.594
  663    HZ   PHE  89           HZ       PHE  89 -12.866  -4.243  -5.528
  664    NH1  ARG  90           NH2      ARG  90  -4.783 -14.269  -7.380
  665    NH2  ARG  90           NH1      ARG  90  -6.415 -13.574  -8.822
  666    H    ARG  90           HN       ARG  90  -6.116  -7.436  -5.537
  667    HA   ARG  90           HA       ARG  90  -7.704  -9.368  -4.407
  668   1HB   ARG  90           HB1      ARG  90  -4.714  -9.726  -4.634
  669   2HB   ARG  90           HB2      ARG  90  -5.787  -9.718  -6.030
  670   1HG   ARG  90           HG1      ARG  90  -7.122 -11.559  -4.890
  671   2HG   ARG  90           HG2      ARG  90  -5.842 -11.646  -3.687
  672   1HD   ARG  90           HD1      ARG  90  -5.111 -13.253  -5.210
  673   2HD   ARG  90           HD2      ARG  90  -4.288 -11.825  -5.836
  674    HE   ARG  90           HE       ARG  90  -6.662 -11.757  -7.201
  675   1HH1  ARG  90          HH21      ARG  90  -4.274 -14.129  -6.532
  676   2HH1  ARG  90          HH22      ARG  90  -4.572 -15.050  -7.966
  677   1HH2  ARG  90          HH11      ARG  90  -7.129 -12.914  -9.052
  678   2HH2  ARG  90          HH12      ARG  90  -6.229 -14.344  -9.432
  679    H    VAL  91           HN       VAL  91  -4.868  -7.905  -2.874
  680    HA   VAL  91           HA       VAL  91  -4.867  -9.479  -0.515
  681    HB   VAL  91           HB       VAL  91  -4.185  -6.534  -0.731
  682   1HG1  VAL  91          HG11      VAL  91  -3.164  -8.693   1.144
  683   2HG1  VAL  91          HG12      VAL  91  -4.366  -7.486   1.585
  684   3HG1  VAL  91          HG13      VAL  91  -2.732  -6.988   1.178
  685   1HG2  VAL  91          HG21      VAL  91  -2.852  -9.014  -1.685
  686   2HG2  VAL  91          HG22      VAL  91  -1.817  -7.855  -0.856
  687   3HG2  VAL  91          HG23      VAL  91  -2.714  -7.367  -2.291
  688    H    PHE  92           HN       PHE  92  -6.473  -6.365  -1.161
  689    HA   PHE  92           HA       PHE  92  -7.834  -6.161   1.323
  690   1HB   PHE  92           HB1      PHE  92  -9.562  -4.861  -0.155
  691   2HB   PHE  92           HB2      PHE  92  -8.378  -5.106  -1.438
  692    HD1  PHE  92           HD1      PHE  92  -5.821  -4.686  -0.500
  693    HD2  PHE  92           HD2      PHE  92  -9.343  -2.842   1.012
  694    HE1  PHE  92           HE1      PHE  92  -4.472  -2.832   0.375
  695    HE2  PHE  92           HE2      PHE  92  -7.990  -0.991   1.893
  696    HZ   PHE  92           HZ       PHE  92  -5.557  -0.986   1.576
  697    H    ASP  93           HN       ASP  93  -9.114  -7.372  -1.784
  698    HA   ASP  93           HA       ASP  93 -11.407  -8.616  -0.466
  699   1HB   ASP  93           HB1      ASP  93 -10.411  -9.191  -3.265
  700   2HB   ASP  93           HB2      ASP  93 -11.340  -7.745  -2.876
  701    H    LYS  94           HN       LYS  94 -10.251  -9.896   1.072
  702    HA   LYS  94           HA       LYS  94  -8.268 -11.805   0.512
  703   1HB   LYS  94           HB1      LYS  94 -10.372 -12.203   2.610
  704   2HB   LYS  94           HB2      LYS  94  -9.128 -10.965   2.765
  705   1HG   LYS  94           HG1      LYS  94  -7.369 -12.601   2.673
  706   2HG   LYS  94           HG2      LYS  94  -8.488 -13.868   2.180
  707   1HD   LYS  94           HD1      LYS  94  -9.453 -14.024   4.310
  708   2HD   LYS  94           HD2      LYS  94  -8.934 -12.405   4.769
  709   1HE   LYS  94           HE1      LYS  94  -6.822 -14.423   4.118
  710   2HE   LYS  94           HE2      LYS  94  -7.651 -14.570   5.662
  711   1HZ   LYS  94           HZ1      LYS  94  -6.660 -12.757   6.460
  712   2HZ   LYS  94           HZ2      LYS  94  -6.807 -11.891   5.006
  713   3HZ   LYS  94           HZ3      LYS  94  -5.534 -12.996   5.212
  714    H    ASP  95           HN       ASP  95 -11.733 -12.524   1.006
  715    HA   ASP  95           HA       ASP  95 -11.631 -15.248   0.403
  716   1HB   ASP  95           HB1      ASP  95 -13.819 -14.997   0.839
  717   2HB   ASP  95           HB2      ASP  95 -14.052 -14.293  -0.753
  718    H    GLY  96           HN       GLY  96 -13.214 -13.313  -2.093
  719   1HA   GLY  96           HA1      GLY  96 -11.986 -15.030  -4.129
  720   2HA   GLY  96           HA2      GLY  96 -11.463 -13.350  -4.200
  721    H    ASN  97           HN       ASN  97 -13.970 -12.237  -3.352
  722    HA   ASN  97           HA       ASN  97 -15.892 -13.098  -5.434
  723   1HB   ASN  97           HB1      ASN  97 -17.505 -12.174  -4.114
  724   2HB   ASN  97           HB2      ASN  97 -16.538 -10.738  -3.783
  725   1HD2  ASN  97          HD21      ASN  97 -17.343 -13.957  -2.649
  726   2HD2  ASN  97          HD22      ASN  97 -16.460 -13.879  -1.202
  727    H    GLY  98           HN       GLY  98 -14.248 -10.146  -4.366
  728   1HA   GLY  98           HA1      GLY  98 -14.654  -9.020  -7.108
  729   2HA   GLY  98           HA2      GLY  98 -13.102  -8.906  -6.288
  730    H    PHE  99           HN       PHE  99 -16.165  -8.585  -4.607
  731    HA   PHE  99           HA       PHE  99 -15.754  -5.642  -4.474
  732   1HB   PHE  99           HB1      PHE  99 -17.988  -5.477  -4.674
  733   2HB   PHE  99           HB2      PHE  99 -18.183  -6.365  -3.174
  734    HD1  PHE  99           HD2      PHE  99 -17.062  -7.330  -6.649
  735    HD2  PHE  99           HD1      PHE  99 -19.743  -8.084  -3.413
  736    HE1  PHE  99           HE2      PHE  99 -18.028  -9.230  -7.876
  737    HE2  PHE  99           HE1      PHE  99 -20.701  -9.969  -4.658
  738    HZ   PHE  99           HZ       PHE  99 -19.848 -10.543  -6.883
  739    H    ILE 100           HN       ILE 100 -16.089  -4.565  -2.400
  740    HA   ILE 100           HA       ILE 100 -14.882  -6.165  -0.207
  741    HB   ILE 100           HB       ILE 100 -15.380  -3.186  -0.220
  742   1HG1  ILE 100          HG11      ILE 100 -14.056  -3.783  -2.219
  743   2HG1  ILE 100          HG12      ILE 100 -12.950  -4.712  -1.214
  744   1HG2  ILE 100          HG21      ILE 100 -13.109  -4.604   1.130
  745   2HG2  ILE 100          HG22      ILE 100 -14.705  -4.678   1.866
  746   3HG2  ILE 100          HG23      ILE 100 -13.932  -3.121   1.600
  747   1HD1  ILE 100          HD11      ILE 100 -11.926  -2.835  -0.376
  748   2HD1  ILE 100          HD12      ILE 100 -13.424  -1.909  -0.337
  749   3HD1  ILE 100          HD13      ILE 100 -12.540  -2.093  -1.849
  750    H    SER 101           HN       SER 101 -15.851  -6.484   1.734
  751    HA   SER 101           HA       SER 101 -18.675  -5.522   2.026
  752   1HB   SER 101           HB1      SER 101 -18.664  -7.678   3.632
  753   2HB   SER 101           HB2      SER 101 -17.409  -8.184   2.485
  754    HG   SER 101           HG       SER 101 -19.209  -8.679   1.406
  755    H    ALA 102           HN       ALA 102 -19.355  -5.407   4.369
  756    HA   ALA 102           HA       ALA 102 -17.640  -3.678   5.803
  757   1HB   ALA 102           HB1      ALA 102 -19.313  -4.624   7.742
  758   2HB   ALA 102           HB2      ALA 102 -20.221  -4.986   6.277
  759   3HB   ALA 102           HB3      ALA 102 -19.725  -3.332   6.621
  760    H    ALA 103           HN       ALA 103 -18.398  -7.060   6.347
  761    HA   ALA 103           HA       ALA 103 -16.674  -7.382   8.599
  762   1HB   ALA 103           HB1      ALA 103 -17.015  -9.778   8.282
  763   2HB   ALA 103           HB2      ALA 103 -17.625  -9.494   6.654
  764   3HB   ALA 103           HB3      ALA 103 -18.540  -8.928   8.049
  765    H    GLU 104           HN       GLU 104 -16.273  -8.349   5.206
  766    HA   GLU 104           HA       GLU 104 -13.765  -9.485   5.231
  767   1HB   GLU 104           HB1      GLU 104 -13.462  -8.083   2.989
  768   2HB   GLU 104           HB2      GLU 104 -15.162  -7.722   3.271
  769   1HG   GLU 104           HG1      GLU 104 -15.644 -10.152   3.437
  770   2HG   GLU 104           HG2      GLU 104 -13.945 -10.505   3.132
  771    H    LEU 105           HN       LEU 105 -14.077  -6.056   4.383
  772    HA   LEU 105           HA       LEU 105 -11.421  -5.316   4.730
  773   1HB   LEU 105           HB1      LEU 105 -13.664  -3.537   5.653
  774   2HB   LEU 105           HB2      LEU 105 -13.410  -3.889   3.951
  775    HG   LEU 105           HG       LEU 105 -11.056  -3.021   5.611
  776   1HD1  LEU 105          HD11      LEU 105 -10.620  -3.647   3.309
  777   2HD1  LEU 105          HD12      LEU 105 -10.499  -1.895   3.412
  778   3HD1  LEU 105          HD13      LEU 105 -11.939  -2.637   2.733
  779   1HD2  LEU 105          HD21      LEU 105 -11.637  -0.637   5.072
  780   2HD2  LEU 105          HD22      LEU 105 -12.752  -1.379   6.215
  781   3HD2  LEU 105          HD23      LEU 105 -13.220  -1.186   4.528
  782    NH1  ARG 106           NH2      ARG 106 -14.468  -6.167  14.924
  783    NH2  ARG 106           NH1      ARG 106 -15.622  -8.046  14.323
  784    H    ARG 106           HN       ARG 106 -13.939  -4.932   7.219
  785    HA   ARG 106           HA       ARG 106 -12.541  -4.028   9.379
  786   1HB   ARG 106           HB1      ARG 106 -14.269  -6.473   9.704
  787   2HB   ARG 106           HB2      ARG 106 -14.955  -4.907   9.284
  788   1HG   ARG 106           HG1      ARG 106 -14.194  -3.908  11.306
  789   2HG   ARG 106           HG2      ARG 106 -13.088  -5.236  11.639
  790   1HD   ARG 106           HD1      ARG 106 -15.901  -6.077  11.341
  791   2HD   ARG 106           HD2      ARG 106 -15.616  -5.007  12.712
  792    HE   ARG 106           HE       ARG 106 -13.896  -7.417  12.342
  793   1HH1  ARG 106          HH21      ARG 106 -13.902  -5.387  14.655
  794   2HH1  ARG 106          HH22      ARG 106 -14.718  -6.298  15.883
  795   1HH2  ARG 106          HH11      ARG 106 -15.921  -8.674  13.604
  796   2HH2  ARG 106          HH12      ARG 106 -15.891  -8.208  15.272
  797    H    HIS 107           HN       HIS 107 -12.298  -7.272   8.054
  798    HA   HIS 107           HA       HIS 107 -10.583  -8.270  10.174
  799   1HB   HIS 107           HB1      HIS 107 -10.256  -9.625   7.620
  800   2HB   HIS 107           HB2      HIS 107 -11.957  -9.383   8.006
  801    HD1  HIS 107           HD1      HIS 107  -8.936 -10.711   9.714
  802    HD2  HIS 107           HD2      HIS 107 -12.968 -11.188   9.797
  803    HE1  HIS 107           HE1      HIS 107  -9.320 -12.527  11.278
  804    H    VAL 108           HN       VAL 108 -10.054  -7.000   6.912
  805    HA   VAL 108           HA       VAL 108  -7.187  -7.345   6.986
  806    HB   VAL 108           HB       VAL 108  -9.080  -5.863   5.240
  807   1HG1  VAL 108          HG11      VAL 108  -6.089  -5.577   5.395
  808   2HG1  VAL 108          HG12      VAL 108  -7.301  -4.317   5.187
  809   3HG1  VAL 108          HG13      VAL 108  -6.917  -5.399   3.852
  810   1HG2  VAL 108          HG21      VAL 108  -8.748  -8.304   4.956
  811   2HG2  VAL 108          HG22      VAL 108  -7.022  -8.030   4.745
  812   3HG2  VAL 108          HG23      VAL 108  -8.163  -7.410   3.557
  813    H    MET 109           HN       MET 109  -9.330  -4.629   7.666
  814    HA   MET 109           HA       MET 109  -7.182  -2.736   8.104
  815   1HB   MET 109           HB1      MET 109  -9.396  -1.791   9.498
  816   2HB   MET 109           HB2      MET 109 -10.098  -2.747   8.201
  817   1HG   MET 109           HG1      MET 109  -8.648  -1.549   6.580
  818   2HG   MET 109           HG2      MET 109  -8.030  -0.561   7.877
  819   1HE   MET 109           HE1      MET 109 -10.101   1.431   5.199
  820   2HE   MET 109           HE2      MET 109  -8.648   0.457   5.415
  821   3HE   MET 109           HE3      MET 109  -8.867   1.930   6.355
  822    H    THR 110           HN       THR 110  -9.090  -4.862  10.164
  823    HA   THR 110           HA       THR 110  -8.114  -3.817  12.662
  824    HB   THR 110           HB       THR 110  -9.377  -6.448  11.949
  825    HG1  THR 110           HG1      THR 110 -10.942  -5.193  13.378
  826   1HG2  THR 110          HG21      THR 110  -8.085  -6.806  14.011
  827   2HG2  THR 110          HG22      THR 110  -9.784  -6.608  14.430
  828   3HG2  THR 110          HG23      THR 110  -8.661  -5.270  14.650
  829    H    ASN 111           HN       ASN 111  -6.934  -6.172  10.399
  830    HA   ASN 111           HA       ASN 111  -4.981  -7.319  12.231
  831   1HB   ASN 111           HB1      ASN 111  -4.164  -7.818   9.582
  832   2HB   ASN 111           HB2      ASN 111  -5.923  -7.825   9.554
  833   1HD2  ASN 111          HD21      ASN 111  -3.359  -9.861   9.977
  834   2HD2  ASN 111          HD22      ASN 111  -4.069 -11.020  10.995
  835    H    LEU 112           HN       LEU 112  -5.072  -4.499  10.254
  836    HA   LEU 112           HA       LEU 112  -2.290  -4.307   9.678
  837   1HB   LEU 112           HB1      LEU 112  -3.370  -1.673  10.124
  838   2HB   LEU 112           HB2      LEU 112  -4.577  -2.648   9.303
  839    HG   LEU 112           HG       LEU 112  -1.744  -2.750   8.279
  840   1HD1  LEU 112          HD11      LEU 112  -3.007  -3.005   6.086
  841   2HD1  LEU 112          HD12      LEU 112  -4.530  -2.920   6.996
  842   3HD1  LEU 112          HD13      LEU 112  -3.402  -4.240   7.274
  843   1HD2  LEU 112          HD21      LEU 112  -3.417  -1.084   7.142
  844   2HD2  LEU 112          HD22      LEU 112  -2.284  -0.356   6.951
  845   3HD2  LEU 112          HD23      LEU 112  -1.606  -1.121   7.832
  846    H    GLY 113           HN       GLY 113  -4.070  -3.800  12.567
  847   1HA   GLY 113           HA1      GLY 113  -1.552  -2.875  13.909
  848   2HA   GLY 113           HA2      GLY 113  -2.668  -4.007  14.649
  849    H    GLU 114           HN       GLU 114  -4.826  -2.070  13.328
  850    HA   GLU 114           HA       GLU 114  -4.762  -0.140  15.629
  851   1HB   GLU 114           HB1      GLU 114  -6.363   0.899  13.502
  852   2HB   GLU 114           HB2      GLU 114  -4.791   0.443  12.850
  853   1HG   GLU 114           HG1      GLU 114  -3.659   1.735  14.618
  854   2HG   GLU 114           HG2      GLU 114  -5.215   2.148  15.334
  855    H    LYS 115           HN       LYS 115  -7.109   0.901  15.787
  856    HA   LYS 115           HA       LYS 115  -9.028  -1.401  15.895
  857   1HB   LYS 115           HB1      LYS 115 -10.015  -0.086  17.860
  858   2HB   LYS 115           HB2      LYS 115  -8.536   0.868  17.811
  859   1HG   LYS 115           HG1      LYS 115  -7.216  -1.265  18.000
  860   2HG   LYS 115           HG2      LYS 115  -8.729  -2.143  18.184
  861   1HD   LYS 115           HD1      LYS 115  -8.418   0.181  20.003
  862   2HD   LYS 115           HD2      LYS 115  -9.026  -1.435  20.339
  863   1HE   LYS 115           HE1      LYS 115  -6.602  -2.237  20.093
  864   2HE   LYS 115           HE2      LYS 115  -6.961  -1.283  21.527
  865   1HZ   LYS 115           HZ1      LYS 115  -6.100   0.154  19.139
  866   2HZ   LYS 115           HZ2      LYS 115  -5.774   0.471  20.775
  867   3HZ   LYS 115           HZ3      LYS 115  -4.927  -0.758  19.962
  868    H    LEU 116           HN       LEU 116 -10.443  -1.095  14.280
  869    HA   LEU 116           HA       LEU 116 -11.748   1.559  14.047
  870   1HB   LEU 116           HB1      LEU 116 -12.051   1.125  11.643
  871   2HB   LEU 116           HB2      LEU 116 -11.215  -0.410  11.813
  872    HG   LEU 116           HG       LEU 116  -9.399   1.328  12.942
  873   1HD1  LEU 116          HD11      LEU 116  -8.189   1.085  10.770
  874   2HD1  LEU 116          HD12      LEU 116  -9.672   0.469  10.047
  875   3HD1  LEU 116          HD13      LEU 116  -8.877  -0.435  11.333
  876   1HD2  LEU 116          HD21      LEU 116  -9.205   3.210  11.303
  877   2HD2  LEU 116          HD22      LEU 116 -10.662   3.314  12.282
  878   3HD2  LEU 116          HD23      LEU 116 -10.759   2.741  10.620
  879    H    THR 117           HN       THR 117 -13.640   1.211  15.123
  880    HA   THR 117           HA       THR 117 -15.014  -1.222  15.417
  881    HB   THR 117           HB       THR 117 -17.031   0.164  15.917
  882    HG1  THR 117           HG1      THR 117 -17.085   2.160  15.110
  883   1HG2  THR 117          HG21      THR 117 -15.499   2.114  17.147
  884   2HG2  THR 117          HG22      THR 117 -14.343   0.796  16.982
  885   3HG2  THR 117          HG23      THR 117 -15.849   0.541  17.857
  886    H    ASP 118           HN       ASP 118 -17.480  -1.240  14.486
  887    HA   ASP 118           HA       ASP 118 -17.095  -1.796  11.637
  888   1HB   ASP 118           HB1      ASP 118 -19.823  -1.998  12.710
  889   2HB   ASP 118           HB2      ASP 118 -18.633  -2.951  13.594
  890    H    GLU 119           HN       GLU 119 -18.421   0.701  13.571
  891    HA   GLU 119           HA       GLU 119 -20.251   1.802  11.682
  892   1HB   GLU 119           HB1      GLU 119 -19.486   3.987  13.102
  893   2HB   GLU 119           HB2      GLU 119 -18.967   2.706  14.188
  894   1HG   GLU 119           HG1      GLU 119 -21.212   1.759  14.240
  895   2HG   GLU 119           HG2      GLU 119 -21.764   2.887  13.002
  896    H    GLU 120           HN       GLU 120 -17.001   2.947  12.577
  897    HA   GLU 120           HA       GLU 120 -16.646   4.941  10.699
  898   1HB   GLU 120           HB1      GLU 120 -14.192   3.715  10.582
  899   2HB   GLU 120           HB2      GLU 120 -14.847   3.063  12.080
  900   1HG   GLU 120           HG1      GLU 120 -15.498   5.518  12.635
  901   2HG   GLU 120           HG2      GLU 120 -14.388   5.963  11.339
  902    H    VAL 121           HN       VAL 121 -15.342   1.692  10.025
  903    HA   VAL 121           HA       VAL 121 -14.931   1.926   7.311
  904    HB   VAL 121           HB       VAL 121 -16.010  -0.442   8.850
  905   1HG1  VAL 121          HG11      VAL 121 -15.151  -1.726   6.788
  906   2HG1  VAL 121          HG12      VAL 121 -15.191  -0.183   5.942
  907   3HG1  VAL 121          HG13      VAL 121 -16.678  -0.873   6.586
  908   1HG2  VAL 121          HG21      VAL 121 -13.282   0.318   7.746
  909   2HG2  VAL 121          HG22      VAL 121 -13.650  -1.221   8.519
  910   3HG2  VAL 121          HG23      VAL 121 -13.744   0.274   9.444
  911    H    ASP 122           HN       ASP 122 -18.014   0.851   8.751
  912    HA   ASP 122           HA       ASP 122 -19.562   0.594   6.474
  913   1HB   ASP 122           HB1      ASP 122 -20.592   2.073   8.895
  914   2HB   ASP 122           HB2      ASP 122 -20.293   0.338   8.913
  915    H    GLU 123           HN       GLU 123 -18.979   3.631   8.227
  916    HA   GLU 123           HA       GLU 123 -20.376   5.261   6.360
  917   1HB   GLU 123           HB1      GLU 123 -18.252   6.717   7.656
  918   2HB   GLU 123           HB2      GLU 123 -19.026   5.640   8.811
  919   1HG   GLU 123           HG1      GLU 123 -21.275   6.581   7.957
  920   2HG   GLU 123           HG2      GLU 123 -20.321   7.829   7.155
  921    H    MET 124           HN       MET 124 -17.126   4.067   6.475
  922    HA   MET 124           HA       MET 124 -16.065   5.847   4.457
  923   1HB   MET 124           HB1      MET 124 -14.243   4.178   4.253
  924   2HB   MET 124           HB2      MET 124 -15.143   3.075   5.276
  925   1HG   MET 124           HG1      MET 124 -15.080   4.649   7.115
  926   2HG   MET 124           HG2      MET 124 -14.342   5.861   6.123
  927   1HE   MET 124           HE1      MET 124 -12.151   3.322   4.787
  928   2HE   MET 124           HE2      MET 124 -10.814   4.235   5.483
  929   3HE   MET 124           HE3      MET 124 -12.156   5.086   4.721
  930    H    ILE 125           HN       ILE 125 -17.038   2.429   4.315
  931    HA   ILE 125           HA       ILE 125 -16.878   2.084   1.529
  932    HB   ILE 125           HB       ILE 125 -18.935   0.845   3.378
  933   1HG1  ILE 125          HG11      ILE 125 -16.792   0.510   4.386
  934   2HG1  ILE 125          HG12      ILE 125 -16.018   0.269   2.835
  935   1HG2  ILE 125          HG21      ILE 125 -19.139   0.544   0.823
  936   2HG2  ILE 125          HG22      ILE 125 -19.036  -0.931   1.770
  937   3HG2  ILE 125          HG23      ILE 125 -17.621  -0.333   0.918
  938   1HD1  ILE 125          HD11      ILE 125 -16.468  -1.834   4.223
  939   2HD1  ILE 125          HD12      ILE 125 -16.996  -1.874   2.545
  940   3HD1  ILE 125          HD13      ILE 125 -18.166  -1.593   3.831
  941    NH1  ARG 126           NH2      ARG 126 -25.930   3.882   2.410
  942    NH2  ARG 126           NH1      ARG 126 -26.065   2.627   4.314
  943    H    ARG 126           HN       ARG 126 -19.630   3.171   3.488
  944    HA   ARG 126           HA       ARG 126 -21.580   3.481   1.534
  945   1HB   ARG 126           HB1      ARG 126 -21.641   5.824   3.167
  946   2HB   ARG 126           HB2      ARG 126 -21.117   4.473   4.163
  947   1HG   ARG 126           HG1      ARG 126 -23.062   3.145   3.348
  948   2HG   ARG 126           HG2      ARG 126 -23.607   4.543   2.424
  949   1HD   ARG 126           HD1      ARG 126 -23.469   4.199   5.425
  950   2HD   ARG 126           HD2      ARG 126 -23.462   5.812   4.709
  951    HE   ARG 126           HE       ARG 126 -25.811   5.400   4.769
  952   1HH1  ARG 126          HH21      ARG 126 -25.674   4.743   1.969
  953   2HH1  ARG 126          HH22      ARG 126 -26.324   3.141   1.867
  954   1HH2  ARG 126          HH11      ARG 126 -25.912   2.548   5.297
  955   2HH2  ARG 126          HH12      ARG 126 -26.463   1.864   3.806
  956    H    GLU 127           HN       GLU 127 -19.598   6.209   2.632
  957    HA   GLU 127           HA       GLU 127 -20.154   7.996   0.590
  958   1HB   GLU 127           HB1      GLU 127 -17.352   8.188   1.184
  959   2HB   GLU 127           HB2      GLU 127 -18.220   7.771   2.656
  960   1HG   GLU 127           HG1      GLU 127 -19.834   9.662   2.146
  961   2HG   GLU 127           HG2      GLU 127 -18.764  10.134   0.825
  962    H    ALA 128           HN       ALA 128 -17.709   5.433   0.560
  963    HA   ALA 128           HA       ALA 128 -16.500   6.066  -1.922
  964   1HB   ALA 128           HB1      ALA 128 -15.853   4.243  -0.211
  965   2HB   ALA 128           HB2      ALA 128 -15.632   3.864  -1.916
  966   3HB   ALA 128           HB3      ALA 128 -17.024   3.228  -1.047
  967    H    ASP 129           HN       ASP 129 -19.519   4.471  -1.185
  968    HA   ASP 129           HA       ASP 129 -19.986   3.741  -4.001
  969   1HB   ASP 129           HB1      ASP 129 -22.298   3.591  -2.219
  970   2HB   ASP 129           HB2      ASP 129 -20.893   2.751  -1.566
  971    H    ILE 130           HN       ILE 130 -20.703   5.220  -5.406
  972    HA   ILE 130           HA       ILE 130 -22.116   7.618  -4.375
  973    HB   ILE 130           HB       ILE 130 -20.757   6.945  -6.975
  974   1HG1  ILE 130          HG11      ILE 130 -19.748   8.017  -4.745
  975   2HG1  ILE 130          HG12      ILE 130 -20.458   9.484  -5.409
  976   1HG2  ILE 130          HG21      ILE 130 -22.639   8.032  -7.848
  977   2HG2  ILE 130          HG22      ILE 130 -21.558   9.386  -7.541
  978   3HG2  ILE 130          HG23      ILE 130 -22.855   9.023  -6.407
  979   1HD1  ILE 130          HD11      ILE 130 -18.524   7.648  -6.868
  980   2HD1  ILE 130          HD12      ILE 130 -18.116   9.211  -6.170
  981   3HD1  ILE 130          HD13      ILE 130 -19.231   9.117  -7.530
  982    H    ASP 131           HN       ASP 131 -22.625   4.813  -6.414
  983    HA   ASP 131           HA       ASP 131 -25.171   5.716  -7.474
  984   1HB   ASP 131           HB1      ASP 131 -24.617   4.012  -8.850
  985   2HB   ASP 131           HB2      ASP 131 -25.200   2.931  -7.588
  986    H    GLY 132           HN       GLY 132 -24.792   2.754  -5.574
  987   1HA   GLY 132           HA1      GLY 132 -27.395   3.255  -4.313
  988   2HA   GLY 132           HA2      GLY 132 -26.032   3.298  -3.200
  989    H    ASP 133           HN       ASP 133 -24.462   1.278  -4.395
  990    HA   ASP 133           HA       ASP 133 -26.144  -1.142  -4.501
  991   1HB   ASP 133           HB1      ASP 133 -24.259  -2.253  -5.320
  992   2HB   ASP 133           HB2      ASP 133 -23.143  -1.190  -4.464
  993    H    GLY 134           HN       GLY 134 -23.591   0.219  -2.460
  994   1HA   GLY 134           HA1      GLY 134 -24.498  -1.597  -0.257
  995   2HA   GLY 134           HA2      GLY 134 -23.827   0.009   0.004
  996    H    GLN 135           HN       GLN 135 -22.518  -2.187  -2.360
  997    HA   GLN 135           HA       GLN 135 -20.134  -2.637  -0.600
  998   1HB   GLN 135           HB1      GLN 135 -19.739  -4.674  -1.968
  999   2HB   GLN 135           HB2      GLN 135 -21.213  -4.332  -2.868
 1000   1HG   GLN 135           HG1      GLN 135 -22.201  -4.191  -0.353
 1001   2HG   GLN 135           HG2      GLN 135 -20.888  -5.331  -0.076
 1002   1HE2  GLN 135          HE21      GLN 135 -20.998  -6.502  -2.783
 1003   2HE2  GLN 135          HE22      GLN 135 -22.419  -7.428  -2.851
 1004    H    VAL 136           HN       VAL 136 -18.042  -2.647  -1.682
 1005    HA   VAL 136           HA       VAL 136 -17.991  -0.617  -3.853
 1006    HB   VAL 136           HB       VAL 136 -15.763  -1.823  -2.194
 1007   1HG1  VAL 136          HG11      VAL 136 -14.482   0.153  -3.170
 1008   2HG1  VAL 136          HG12      VAL 136 -15.799   0.335  -4.324
 1009   3HG1  VAL 136          HG13      VAL 136 -14.836  -1.139  -4.313
 1010   1HG2  VAL 136          HG21      VAL 136 -17.675  -0.051  -1.399
 1011   2HG2  VAL 136          HG22      VAL 136 -16.479   1.053  -2.068
 1012   3HG2  VAL 136          HG23      VAL 136 -16.031  -0.048  -0.769
 1013    H    ASN 137           HN       ASN 137 -17.465  -1.056  -5.920
 1014    HA   ASN 137           HA       ASN 137 -16.684  -3.870  -6.580
 1015   1HB   ASN 137           HB1      ASN 137 -17.528  -2.752  -8.951
 1016   2HB   ASN 137           HB2      ASN 137 -18.544  -1.921  -7.782
 1017   1HD2  ASN 137          HD21      ASN 137 -19.719  -3.725  -9.586
 1018   2HD2  ASN 137          HD22      ASN 137 -20.239  -5.110  -8.753
 1019    OH   TYR 138           OH       TYR 138  -7.937  -3.852 -11.255
 1020    H    TYR 138           HN       TYR 138 -15.761  -3.616  -9.106
 1021    HA   TYR 138           HA       TYR 138 -13.113  -2.513  -8.685
 1022   1HB   TYR 138           HB1      TYR 138 -14.051  -3.335 -11.397
 1023   2HB   TYR 138           HB2      TYR 138 -13.930  -4.570 -10.148
 1024    HD1  TYR 138           HD1      TYR 138 -12.004  -2.006 -12.014
 1025    HD2  TYR 138           HD2      TYR 138 -11.783  -5.344  -9.386
 1026    HE1  TYR 138           HE1      TYR 138  -9.572  -2.117 -12.354
 1027    HE2  TYR 138           HE2      TYR 138  -9.352  -5.453  -9.728
 1028    HH   TYR 138           HH       TYR 138  -7.730  -4.704 -11.644
 1029    H    GLU 139           HN       GLU 139 -15.891  -1.587 -10.640
 1030    HA   GLU 139           HA       GLU 139 -14.624   0.526 -12.035
 1031   1HB   GLU 139           HB1      GLU 139 -17.237   1.381 -11.702
 1032   2HB   GLU 139           HB2      GLU 139 -17.364  -0.367 -11.546
 1033   1HG   GLU 139           HG1      GLU 139 -16.203  -0.675 -13.690
 1034   2HG   GLU 139           HG2      GLU 139 -15.963   1.065 -13.837
 1035    H    GLU 140           HN       GLU 140 -16.531   0.591  -9.039
 1036    HA   GLU 140           HA       GLU 140 -16.145   3.388  -8.548
 1037   1HB   GLU 140           HB1      GLU 140 -16.921   2.894  -6.268
 1038   2HB   GLU 140           HB2      GLU 140 -16.698   1.174  -6.565
 1039   1HG   GLU 140           HG1      GLU 140 -18.348   1.280  -8.413
 1040   2HG   GLU 140           HG2      GLU 140 -18.579   3.000  -8.102
 1041    H    PHE 141           HN       PHE 141 -14.276   0.567  -7.781
 1042    HA   PHE 141           HA       PHE 141 -12.514   1.830  -5.875
 1043   1HB   PHE 141           HB1      PHE 141 -12.076  -0.604  -7.628
 1044   2HB   PHE 141           HB2      PHE 141 -12.732  -0.611  -5.993
 1045    HD1  PHE 141           HD2      PHE 141  -9.693   0.060  -8.004
 1046    HD2  PHE 141           HD1      PHE 141 -11.284  -0.363  -4.073
 1047    HE1  PHE 141           HE2      PHE 141  -7.414  -0.008  -7.082
 1048    HE2  PHE 141           HE1      PHE 141  -8.999  -0.445  -3.164
 1049    HZ   PHE 141           HZ       PHE 141  -7.069  -0.254  -4.665
 1050    H    VAL 142           HN       VAL 142 -12.444   1.388  -9.361
 1051    HA   VAL 142           HA       VAL 142  -9.767   2.541  -9.635
 1052    HB   VAL 142           HB       VAL 142 -11.864   1.449 -11.458
 1053   1HG1  VAL 142          HG11      VAL 142 -10.458   2.365 -13.415
 1054   2HG1  VAL 142          HG12      VAL 142  -9.817   3.535 -12.269
 1055   3HG1  VAL 142          HG13      VAL 142 -11.542   3.508 -12.634
 1056   1HG2  VAL 142          HG21      VAL 142  -8.835   1.248 -11.358
 1057   2HG2  VAL 142          HG22      VAL 142  -9.895   0.288 -12.385
 1058   3HG2  VAL 142          HG23      VAL 142  -9.954   0.097 -10.636
 1059    H    THR 143           HN       THR 143 -13.078   3.545 -10.315
 1060    HA   THR 143           HA       THR 143 -12.494   6.123 -11.342
 1061    HB   THR 143           HB       THR 143 -14.904   4.800 -10.155
 1062    HG1  THR 143           HG1      THR 143 -15.504   5.160 -12.223
 1063   1HG2  THR 143          HG21      THR 143 -15.176   6.983  -9.136
 1064   2HG2  THR 143          HG22      THR 143 -16.109   7.014 -10.629
 1065   3HG2  THR 143          HG23      THR 143 -14.529   7.786 -10.564
 1066    H    MET 144           HN       MET 144 -12.475   4.941  -8.072
 1067    HA   MET 144           HA       MET 144 -12.589   7.644  -6.976
 1068   1HB   MET 144           HB1      MET 144 -12.027   5.105  -5.444
 1069   2HB   MET 144           HB2      MET 144 -13.656   5.618  -5.859
 1070   1HG   MET 144           HG1      MET 144 -13.685   7.014  -4.107
 1071   2HG   MET 144           HG2      MET 144 -12.322   7.879  -4.754
 1072   1HE   MET 144           HE1      MET 144 -12.261   4.110  -2.952
 1073   2HE   MET 144           HE2      MET 144 -13.671   5.145  -2.737
 1074   3HE   MET 144           HE3      MET 144 -12.558   4.888  -1.396
 1075    H    MET 145           HN       MET 145 -10.200   5.035  -7.261
 1076    HA   MET 145           HA       MET 145  -8.163   6.708  -5.959
 1077   1HB   MET 145           HB1      MET 145  -6.664   4.716  -6.595
 1078   2HB   MET 145           HB2      MET 145  -8.159   3.925  -7.096
 1079   1HG   MET 145           HG1      MET 145  -9.074   4.697  -4.814
 1080   2HG   MET 145           HG2      MET 145  -7.413   4.976  -4.372
 1081   1HE   MET 145           HE1      MET 145 -10.273   2.374  -4.065
 1082   2HE   MET 145           HE2      MET 145  -9.577   3.532  -2.935
 1083   3HE   MET 145           HE3      MET 145  -9.328   1.810  -2.689
 1084    H    THR 146           HN       THR 146  -9.182   6.017  -9.199
 1085    HA   THR 146           HA       THR 146  -6.675   7.075 -10.335
 1086    HB   THR 146           HB       THR 146  -8.424   5.281 -11.399
 1087    HG1  THR 146           HG1      THR 146  -7.417   6.095 -13.408
 1088   1HG2  THR 146          HG21      THR 146  -9.083   7.911 -12.791
 1089   2HG2  THR 146          HG22      THR 146 -10.213   7.101 -11.707
 1090   3HG2  THR 146          HG23      THR 146  -9.701   6.315 -13.191
 1091    H    SER 147           HN       SER 147  -6.311   9.195 -10.544
 1092    HA   SER 147           HA       SER 147  -8.615  11.007 -10.986
 1093   1HB   SER 147           HB1      SER 147  -6.723  11.168  -8.626
 1094   2HB   SER 147           HB2      SER 147  -8.497  11.106  -8.602
 1095    HG   SER 147           HG       SER 147  -8.091  13.233  -8.524
 1096    H    LYS 148           HN       LYS 148  -7.647  11.238 -13.067
 1097    HA   LYS 148           HA       LYS 148  -6.017  13.559 -13.317
 1098   1HB   LYS 148           HB1      LYS 148  -4.004  12.272 -14.371
 1099   2HB   LYS 148           HB2      LYS 148  -4.089  12.437 -12.623
 1100   1HG   LYS 148           HG1      LYS 148  -5.418  10.074 -13.901
 1101   2HG   LYS 148           HG2      LYS 148  -4.686  10.211 -12.305
 1102   1HD   LYS 148           HD1      LYS 148  -3.235  10.078 -14.969
 1103   2HD   LYS 148           HD2      LYS 148  -2.437  10.406 -13.435
 1104   1HE   LYS 148           HE1      LYS 148  -2.770   7.898 -14.457
 1105   2HE   LYS 148           HE2      LYS 148  -2.610   8.237 -12.739
 1106   1HZ   LYS 148           HZ1      LYS 148  -5.071   7.745 -14.287
 1107   2HZ   LYS 148           HZ2      LYS 148  -5.117   8.525 -12.779
 1108   3HZ   LYS 148           HZ3      LYS 148  -4.506   6.945 -12.899
 1109   1H    LYS   1           HT1      LYS 201  -8.377  10.611   6.722
 1110   2H    LYS   1           HT2      LYS 201  -8.794  12.242   6.493
 1111   3H    LYS   1           HT3      LYS 201  -8.919  11.144   5.204
 1112    HA   LYS   1           HA       LYS 201 -10.511  11.020   7.700
 1113   1HB   LYS   1           HB1      LYS 201 -12.404  11.655   6.134
 1114   2HB   LYS   1           HB2      LYS 201 -11.174  12.046   4.933
 1115   1HG   LYS   1           HG1      LYS 201 -10.131  13.424   6.988
 1116   2HG   LYS   1           HG2      LYS 201 -11.795  13.414   7.547
 1117   1HD   LYS   1           HD1      LYS 201 -12.054  14.138   4.868
 1118   2HD   LYS   1           HD2      LYS 201 -10.569  14.939   5.338
 1119   1HE   LYS   1           HE1      LYS 201 -13.186  15.132   6.877
 1120   2HE   LYS   1           HE2      LYS 201 -12.619  16.334   5.728
 1121   1HZ   LYS   1           HZ1      LYS 201 -12.050  16.975   7.956
 1122   2HZ   LYS   1           HZ2      LYS 201 -11.222  15.514   8.210
 1123   3HZ   LYS   1           HZ3      LYS 201 -10.636  16.637   7.079
 1124    NH1  ARG   2           NH2      ARG 202 -14.469  12.832   5.129
 1125    NH2  ARG   2           NH1      ARG 202 -13.593  13.270   3.064
 1126    H    ARG   2           HN       ARG 202 -11.582  10.172   4.466
 1127    HA   ARG   2           HA       ARG 202 -11.525   7.275   5.279
 1128   1HB   ARG   2           HB1      ARG 202 -13.542   6.922   4.253
 1129   2HB   ARG   2           HB2      ARG 202 -13.195   8.011   2.948
 1130   1HG   ARG   2           HG1      ARG 202 -13.600   9.337   5.585
 1131   2HG   ARG   2           HG2      ARG 202 -15.007   8.509   4.960
 1132   1HD   ARG   2           HD1      ARG 202 -15.344  10.521   3.896
 1133   2HD   ARG   2           HD2      ARG 202 -14.266   9.844   2.695
 1134    HE   ARG   2           HE       ARG 202 -12.430  11.040   4.107
 1135   1HH1  ARG   2          HH21      ARG 202 -14.622  12.182   5.873
 1136   2HH1  ARG   2          HH22      ARG 202 -14.814  13.767   5.204
 1137   1HH2  ARG   2          HH11      ARG 202 -13.092  12.949   2.261
 1138   2HH2  ARG   2          HH12      ARG 202 -13.923  14.213   3.103
 1139    NH1  ARG   3           NH1      ARG 203 -10.519  11.761   2.566
 1140    NH2  ARG   3           NH2      ARG 203  -9.896  13.294   0.992
 1141    H    ARG   3           HN       ARG 203  -9.220   8.399   4.312
 1142    HA   ARG   3           HA       ARG 203  -9.098   8.049   1.416
 1143   1HB   ARG   3           HB1      ARG 203  -6.891   8.809   1.527
 1144   2HB   ARG   3           HB2      ARG 203  -6.677   8.248   3.167
 1145   1HG   ARG   3           HG1      ARG 203  -7.160  10.346   3.900
 1146   2HG   ARG   3           HG2      ARG 203  -8.794  10.126   3.339
 1147   1HD   ARG   3           HD1      ARG 203  -6.725  10.984   1.334
 1148   2HD   ARG   3           HD2      ARG 203  -7.365  12.161   2.471
 1149    HE   ARG   3           HE       ARG 203  -8.909  10.825   0.345
 1150   1HH1  ARG   3          HH11      ARG 203 -10.379  10.870   2.996
 1151   2HH1  ARG   3          HH12      ARG 203 -11.246  12.364   2.894
 1152   1HH2  ARG   3          HH21      ARG 203  -9.289  13.554   0.241
 1153   2HH2  ARG   3          HH22      ARG 203 -10.616  13.920   1.292
 1154    CH2  TRP   4           CH2      TRP 204 -12.690  -0.041   1.652
 1155    H    TRP   4           HN       TRP 204  -9.398   5.957   0.793
 1156    HA   TRP   4           HA       TRP 204  -8.215   3.695   2.140
 1157   1HB   TRP   4           HB1      TRP 204  -8.628   2.530  -0.064
 1158   2HB   TRP   4           HB2      TRP 204  -9.129   4.069  -0.726
 1159    HD1  TRP   4           HD1      TRP 204 -11.138   5.333   0.868
 1160    HE1  TRP   4           HE1      TRP 204 -13.237   4.170   1.671
 1161    HE3  TRP   4           HE3      TRP 204  -9.593   0.607   0.535
 1162    HZ2  TRP   4           HZ2      TRP 204 -14.167   1.405   2.103
 1163    HZ3  TRP   4           HZ3      TRP 204 -11.049  -1.265   1.111
 1164    HH2  TRP   4           HH2      TRP 204 -13.322  -0.876   1.918
 1165    H    LYS   5           HN       LYS 205  -6.904   6.268   0.645
 1166    HA   LYS   5           HA       LYS 205  -4.866   5.194  -0.996
 1167   1HB   LYS   5           HB1      LYS 205  -3.786   7.429  -0.680
 1168   2HB   LYS   5           HB2      LYS 205  -5.026   7.803   0.511
 1169   1HG   LYS   5           HG1      LYS 205  -6.778   7.644  -1.130
 1170   2HG   LYS   5           HG2      LYS 205  -5.695   6.915  -2.311
 1171   1HD   LYS   5           HD1      LYS 205  -4.356   9.025  -2.341
 1172   2HD   LYS   5           HD2      LYS 205  -5.508   9.748  -1.225
 1173   1HE   LYS   5           HE1      LYS 205  -7.103  10.028  -2.848
 1174   2HE   LYS   5           HE2      LYS 205  -6.709   8.511  -3.644
 1175   1HZ   LYS   5           HZ1      LYS 205  -5.913  11.105  -4.338
 1176   2HZ   LYS   5           HZ2      LYS 205  -5.582   9.646  -5.141
 1177   3HZ   LYS   5           HZ3      LYS 205  -4.524  10.212  -3.939
 1178    H    LYS   6           HN       LYS 206  -4.297   6.707   2.228
 1179    HA   LYS   6           HA       LYS 206  -1.693   5.791   2.539
 1180   1HB   LYS   6           HB1      LYS 206  -1.866   6.661   4.600
 1181   2HB   LYS   6           HB2      LYS 206  -3.005   5.410   5.068
 1182   1HG   LYS   6           HG1      LYS 206  -4.869   6.700   4.193
 1183   2HG   LYS   6           HG2      LYS 206  -3.769   7.908   3.530
 1184   1HD   LYS   6           HD1      LYS 206  -2.975   8.471   5.784
 1185   2HD   LYS   6           HD2      LYS 206  -3.968   7.197   6.482
 1186   1HE   LYS   6           HE1      LYS 206  -5.343   9.216   4.783
 1187   2HE   LYS   6           HE2      LYS 206  -4.799   9.746   6.360
 1188   1HZ   LYS   6           HZ1      LYS 206  -6.397   7.289   5.969
 1189   2HZ   LYS   6           HZ2      LYS 206  -6.077   8.110   7.421
 1190   3HZ   LYS   6           HZ3      LYS 206  -7.100   8.807   6.259
 1191    H    ASN   7           HN       ASN 207  -4.647   4.053   3.017
 1192    HA   ASN   7           HA       ASN 207  -3.414   1.669   4.110
 1193   1HB   ASN   7           HB1      ASN 207  -5.844   1.031   2.742
 1194   2HB   ASN   7           HB2      ASN 207  -6.058   2.585   3.544
 1195   1HD2  ASN   7          HD21      ASN 207  -7.000   2.217   5.540
 1196   2HD2  ASN   7          HD22      ASN 207  -6.562   0.980   6.615
 1197    H    PHE   8           HN       PHE 208  -4.605   2.563   0.910
 1198    HA   PHE   8           HA       PHE 208  -3.795   0.153  -0.387
 1199   1HB   PHE   8           HB1      PHE 208  -4.595   2.892  -1.307
 1200   2HB   PHE   8           HB2      PHE 208  -5.413   1.354  -1.573
 1201    HD1  PHE   8           HD1      PHE 208  -4.204  -0.378  -3.041
 1202    HD2  PHE   8           HD2      PHE 208  -3.084   3.728  -2.931
 1203    HE1  PHE   8           HE1      PHE 208  -3.041  -0.632  -5.174
 1204    HE2  PHE   8           HE2      PHE 208  -1.923   3.465  -5.079
 1205    HZ   PHE   8           HZ       PHE 208  -1.903   1.282  -6.206
 1206    H    ILE   9           HN       ILE 209  -2.433   3.411  -0.508
 1207    HA   ILE   9           HA       ILE 209  -0.127   2.973  -1.931
 1208    HB   ILE   9           HB       ILE 209  -0.917   4.812   0.229
 1209   1HG1  ILE   9          HG11      ILE 209  -1.346   5.143  -2.242
 1210   2HG1  ILE   9          HG12      ILE 209   0.391   5.281  -2.458
 1211   1HG2  ILE   9          HG21      ILE 209   1.426   5.862   0.037
 1212   2HG2  ILE   9          HG22      ILE 209   1.943   4.311  -0.608
 1213   3HG2  ILE   9          HG23      ILE 209   1.294   4.420   1.027
 1214   1HD1  ILE   9          HD11      ILE 209   0.483   7.371  -1.487
 1215   2HD1  ILE   9          HD12      ILE 209  -0.804   7.018  -0.341
 1216   3HD1  ILE   9          HD13      ILE 209  -1.197   7.431  -2.004
 1217    H    ALA  10           HN       ALA 210  -0.505   2.775   1.563
 1218    HA   ALA  10           HA       ALA 210   2.047   1.919   2.237
 1219   1HB   ALA  10           HB1      ALA 210   0.990   0.745   4.176
 1220   2HB   ALA  10           HB2      ALA 210  -0.582   0.983   3.420
 1221   3HB   ALA  10           HB3      ALA 210   0.361   2.373   3.945
 1222    H    VAL  11           HN       VAL 211  -0.712  -0.236   1.603
 1223    HA   VAL  11           HA       VAL 211   0.762  -2.624   1.480
 1224    HB   VAL  11           HB       VAL 211  -1.717  -1.853  -0.017
 1225   1HG1  VAL  11          HG11      VAL 211  -0.465  -4.564   0.504
 1226   2HG1  VAL  11          HG12      VAL 211  -0.718  -3.815  -1.069
 1227   3HG1  VAL  11          HG13      VAL 211  -2.097  -4.343  -0.117
 1228   1HG2  VAL  11          HG21      VAL 211  -1.180  -2.426   2.759
 1229   2HG2  VAL  11          HG22      VAL 211  -2.238  -3.668   2.099
 1230   3HG2  VAL  11          HG23      VAL 211  -2.708  -1.976   2.012
 1231    H    SER  12           HN       SER 212   0.285  -0.102  -0.853
 1232    HA   SER  12           HA       SER 212   1.215  -1.498  -3.160
 1233   1HB   SER  12           HB1      SER 212   1.824   1.423  -2.815
 1234   2HB   SER  12           HB2      SER 212   0.134   0.897  -2.941
 1235    HG   SER  12           HG       SER 212   1.288   1.268  -4.986
 1236    H    ALA  13           HN       ALA 213   2.920   0.308  -0.638
 1237    HA   ALA  13           HA       ALA 213   5.503   0.223  -1.797
 1238   1HB   ALA  13           HB1      ALA 213   4.504   0.406   1.022
 1239   2HB   ALA  13           HB2      ALA 213   5.408   1.592   0.094
 1240   3HB   ALA  13           HB3      ALA 213   6.218   0.163   0.730
 1241    H    ALA  14           HN       ALA 214   4.061  -1.931   0.631
 1242    HA   ALA  14           HA       ALA 214   6.224  -3.823   0.532
 1243   1HB   ALA  14           HB1      ALA 214   5.079  -4.736   2.224
 1244   2HB   ALA  14           HB2      ALA 214   3.711  -5.082   1.172
 1245   3HB   ALA  14           HB3      ALA 214   3.834  -3.517   1.966
 1246    H    ASN  15           HN       ASN 215   3.042  -3.870  -1.055
 1247    HA   ASN  15           HA       ASN 215   3.286  -6.313  -2.430
 1248   1HB   ASN  15           HB1      ASN 215   1.857  -3.746  -3.056
 1249   2HB   ASN  15           HB2      ASN 215   1.177  -5.315  -2.639
 1250   1HD2  ASN  15          HD21      ASN 215   0.955  -3.426  -5.123
 1251   2HD2  ASN  15          HD22      ASN 215   1.199  -4.478  -6.431
 1252    NH1  ARG  16           NH1      ARG 216   6.746   0.858  -8.994
 1253    NH2  ARG  16           NH2      ARG 216   4.667   1.716  -8.586
 1254    H    ARG  16           HN       ARG 216   4.500  -3.117  -3.261
 1255    HA   ARG  16           HA       ARG 216   5.493  -3.839  -5.862
 1256   1HB   ARG  16           HB1      ARG 216   6.643  -1.694  -4.073
 1257   2HB   ARG  16           HB2      ARG 216   5.135  -1.481  -4.953
 1258   1HG   ARG  16           HG1      ARG 216   7.469  -2.495  -6.512
 1259   2HG   ARG  16           HG2      ARG 216   7.520  -0.808  -6.013
 1260   1HD   ARG  16           HD1      ARG 216   4.993  -1.880  -7.243
 1261   2HD   ARG  16           HD2      ARG 216   6.350  -1.474  -8.292
 1262    HE   ARG  16           HE       ARG 216   5.245   0.534  -6.373
 1263   1HH1  ARG  16          HH11      ARG 216   7.481   0.236  -8.730
 1264   2HH1  ARG  16          HH12      ARG 216   6.845   1.434  -9.806
 1265   1HH2  ARG  16          HH21      ARG 216   3.846   1.736  -8.016
 1266   2HH2  ARG  16          HH22      ARG 216   4.731   2.306  -9.390
 1267    H    PHE  17           HN       PHE 217   6.854  -3.984  -2.618
 1268    HA   PHE  17           HA       PHE 217   9.512  -4.601  -3.558
 1269   1HB   PHE  17           HB1      PHE 217   9.655  -5.460  -1.043
 1270   2HB   PHE  17           HB2      PHE 217   8.187  -4.474  -0.917
 1271    HD1  PHE  17           HD1      PHE 217  11.651  -4.449  -2.244
 1272    HD2  PHE  17           HD2      PHE 217   8.380  -2.117  -0.883
 1273    HE1  PHE  17           HE1      PHE 217  13.000  -2.437  -2.436
 1274    HE2  PHE  17           HE2      PHE 217   9.718  -0.090  -1.120
 1275    HZ   PHE  17           HZ       PHE 217  11.995  -0.257  -2.008
 1276    H    LYS  18           HN       LYS 218   6.682  -6.391  -3.270
 1277    HA   LYS  18           HA       LYS 218   8.064  -8.946  -3.065
 1278   1HB   LYS  18           HB1      LYS 218   5.185  -8.542  -3.831
 1279   2HB   LYS  18           HB2      LYS 218   5.718  -8.438  -2.157
 1280   1HG   LYS  18           HG1      LYS 218   6.606 -10.698  -2.237
 1281   2HG   LYS  18           HG2      LYS 218   6.283 -10.810  -3.963
 1282   1HD   LYS  18           HD1      LYS 218   3.812 -10.364  -3.360
 1283   2HD   LYS  18           HD2      LYS 218   4.278 -10.702  -1.698
 1284   1HE   LYS  18           HE1      LYS 218   5.037 -12.404  -2.120
 1285   2HE   LYS  18           HE2      LYS 218   3.404 -12.130  -3.139
 1286   1HZ   LYS  18           HZ1      LYS 218   4.105 -14.412  -2.678
 1287   2HZ   LYS  18           HZ2      LYS 218   2.766 -13.419  -2.356
 1288   3HZ   LYS  18           HZ3      LYS 218   4.075 -13.456  -1.275
 1289    H    LYS  19           HN       LYS 219   6.580  -6.917  -5.488
 1290    HA   LYS  19           HA       LYS 219   6.936  -8.905  -7.575
 1291   1HB   LYS  19           HB1      LYS 219   6.326  -6.452  -8.771
 1292   2HB   LYS  19           HB2      LYS 219   5.440  -6.464  -7.252
 1293   1HG   LYS  19           HG1      LYS 219   4.464  -8.648  -7.808
 1294   2HG   LYS  19           HG2      LYS 219   5.401  -8.709  -9.299
 1295   1HD   LYS  19           HD1      LYS 219   4.272  -6.561 -10.000
 1296   2HD   LYS  19           HD2      LYS 219   3.226  -6.720  -8.592
 1297   1HE   LYS  19           HE1      LYS 219   1.904  -7.916 -10.020
 1298   2HE   LYS  19           HE2      LYS 219   3.018  -9.223  -9.653
 1299   1HZ   LYS  19           HZ1      LYS 219   4.369  -8.431 -11.578
 1300   2HZ   LYS  19           HZ2      LYS 219   3.080  -7.403 -11.985
 1301   3HZ   LYS  19           HZ3      LYS 219   2.854  -9.086 -11.984
 1302    H    ILE  20           HN       ILE 220   8.655  -6.202  -6.320
 1303    HA   ILE  20           HA       ILE 220  10.188  -5.383  -8.487
 1304    HB   ILE  20           HB       ILE 220  10.557  -5.425  -5.584
 1305   1HG1  ILE  20          HG11      ILE 220   9.903  -3.502  -7.301
 1306   2HG1  ILE  20          HG12      ILE 220  11.649  -3.345  -7.461
 1307   1HG2  ILE  20          HG21      ILE 220  13.018  -4.818  -5.789
 1308   2HG2  ILE  20          HG22      ILE 220  12.969  -5.440  -7.430
 1309   3HG2  ILE  20          HG23      ILE 220  12.668  -6.514  -6.066
 1310   1HD1  ILE  20          HD11      ILE 220   9.883  -2.770  -5.129
 1311   2HD1  ILE  20          HD12      ILE 220  11.329  -1.928  -5.671
 1312   3HD1  ILE  20          HD13      ILE 220  11.471  -3.431  -4.770
 1313    H    SER  21           HN       SER 221  10.364  -8.335  -6.661
 1314    HA   SER  21           HA       SER 221  12.829  -9.348  -7.551
 1315   1HB   SER  21           HB1      SER 221  11.246 -10.447  -5.881
 1316   2HB   SER  21           HB2      SER 221  11.919 -11.569  -7.080
 1317    HG   SER  21           HG       SER 221  10.022 -11.733  -7.983
 1318    H    SER  22           HN       SER 222  13.208  -8.727  -9.682
 1319    HA   SER  22           HA       SER 222  11.444  -8.977 -11.867
 1320   1HB   SER  22           HB1      SER 222  14.439  -9.366 -12.060
 1321   2HB   SER  22           HB2      SER 222  13.674  -7.778 -11.857
 1322    HG   SER  22           HG       SER 222  12.608  -8.032 -13.743
 1323    H    SER  23           HN       SER 223  10.328 -10.932 -11.683
 1324    HA   SER  23           HA       SER 223  10.074 -13.322 -11.725
 1325   1HB   SER  23           HB1      SER 223  11.414 -12.823 -14.390
 1326   2HB   SER  23           HB2      SER 223   9.761 -12.294 -14.024
 1327    HG   SER  23           HG       SER 223  10.810 -14.926 -13.798
 1328    H    GLY  24           HN       GLY 224  11.332 -14.535 -10.386
 1329   1HA   GLY  24           HA1      GLY 224  13.236 -15.744  -9.654
 1330   2HA   GLY  24           HA2      GLY 224  14.189 -14.895 -10.870
 1331    H    ALA  25           HN       ALA 225  12.232 -15.619 -12.972
 1332    HA   ALA  25           HA       ALA 225  11.621 -18.218 -13.480
 1333   1HB   ALA  25           HB1      ALA 225  12.371 -17.836 -15.863
 1334   2HB   ALA  25           HB2      ALA 225  11.345 -16.568 -15.202
 1335   3HB   ALA  25           HB3      ALA 225  13.082 -16.318 -15.319
 1336    H    LEU  26           HN       LEU 226  14.908 -16.933 -13.483
 1337    HA   LEU  26           HA       LEU 226  15.915 -19.753 -13.402
 1338   1HB   LEU  26           HB1      LEU 226  17.926 -18.924 -14.693
 1339   2HB   LEU  26           HB2      LEU 226  17.057 -17.425 -14.978
 1340    HG   LEU  26           HG       LEU 226  15.557 -19.920 -15.647
 1341   1HD1  LEU  26          HD11      LEU 226  15.036 -17.343 -16.083
 1342   2HD1  LEU  26          HD12      LEU 226  16.044 -17.613 -17.499
 1343   3HD1  LEU  26          HD13      LEU 226  14.580 -18.562 -17.266
 1344   1HD2  LEU  26          HD21      LEU 226  16.778 -20.179 -17.795
 1345   2HD2  LEU  26          HD22      LEU 226  17.951 -18.980 -17.260
 1346   3HD2  LEU  26          HD23      LEU 226  17.818 -20.520 -16.416
   
   
  No H/Q in entry =        1346